changeset 1:5c38e38dbc35 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author chemteam
date Mon, 07 Oct 2019 12:51:36 -0400
parents 469ad3ea5a5f
children d23ef0663267
files angle.py dihedrals.py distance.py hbonds.py hbonds.xml macros.xml pca_cosine.py ramachandran_plots.py rdf.py test-data/Ramachandran_Plot_raw_data_gmx.tabular test-data/test.gro test-data/test.xtc
diffstat 12 files changed, 61739 insertions(+), 42 deletions(-) [+]
line wrap: on
line diff
--- a/angle.py	Wed Apr 03 15:48:18 2019 -0400
+++ b/angle.py	Mon Oct 07 12:51:36 2019 -0400
@@ -16,8 +16,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -52,7 +54,8 @@
     return np.rad2deg(theta)
 
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 data = np.array([(u.trajectory.frame, theta(u)) for ts in u.trajectory])
 frame, theta = data.T
 
--- a/dihedrals.py	Wed Apr 03 15:48:18 2019 -0400
+++ b/dihedrals.py	Mon Oct 07 12:51:36 2019 -0400
@@ -16,8 +16,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -56,7 +58,8 @@
     return np.rad2deg(psi)
 
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 data = np.array([(u.trajectory.frame, psi(u)) for ts in u.trajectory])
 frame, psi = data.T
 PSI = np.concatenate(psi, axis=0)
--- a/distance.py	Wed Apr 03 15:48:18 2019 -0400
+++ b/distance.py	Mon Oct 07 12:51:36 2019 -0400
@@ -14,8 +14,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -34,7 +36,8 @@
 atom2 = "(segid %s and resid %s and name %s)" % \
     (args.isegid2, args.iresid2, args.iname2)
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 x = u.select_atoms(atom1)
 y = u.select_atoms(atom2)
 
--- a/hbonds.py	Wed Apr 03 15:48:18 2019 -0400
+++ b/hbonds.py	Mon Oct 07 12:51:36 2019 -0400
@@ -4,6 +4,7 @@
 import csv
 import sys
 
+import MDAnalysis as mda
 import MDAnalysis.analysis.hbonds
 
 import pandas as pd
@@ -11,8 +12,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--isegid2', help='segid 2')
     parser.add_argument('--idistance', help='cutoff distance')
@@ -31,8 +34,8 @@
 distance = float(args.idistance)
 angle = float(args.iangle)
 
-u = MDAnalysis.Universe(
-    args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 
 h = MDAnalysis.analysis.hbonds.HydrogenBondAnalysis(
     u, selection1, selection2, distance=distance, angle=angle)
--- a/hbonds.xml	Wed Apr 03 15:48:18 2019 -0400
+++ b/hbonds.xml	Mon Oct 07 12:51:36 2019 -0400
@@ -1,16 +1,18 @@
 <tool id="mdanalysis_hbonds" name="Hydrogen Bond Analysis" version="@VERSION@">
-    <description>Analyze hbonds between two segments</description>
+    <description>- analyze H-bonds between two segments</description>
     <macros>
         <import>macros.xml</import>
     </macros>   
     <expand macro="requirements">
-        <requirement type="package" version="0.24.2">pandas</requirement>
+        <requirement type="package" version="0.25.1">pandas</requirement>
     </expand>
     <command detect_errors="exit_code">
 <![CDATA[
      python '$__tool_directory__/hbonds.py' 
-        --idcd '$dcdin' 
-        --ipdb '$pdbin'
+        --itraj '$trajin' 
+        --istr '$strin'
+        --itrajext '$trajin.ext'
+        --istrext '$strin.ext'
         --isegid1 '$segid1'  
         --isegid2 '$segid2'
         --idistance '$distance'
@@ -23,16 +25,16 @@
 ]]></command>
     <inputs>
         <expand macro="analysis_inputs"/>
-        <param name="segid1"  type="text" value="PRO" label="Segid of selection 1"/>
-        <param name="segid2"  type="text" value="HET" label="Segid of selection 2"/>
+        <param name="segid1"  type="text" value="PRO" label="Segment ID of selection 1"/>
+        <param name="segid2"  type="text" value="HET" label="Segment ID of selection 2"/>
         <param name="distance" type="float" value="3.0" label="Cutoff distance"/>
         <param name="angle"  type="float" value="120.0" label="Cutoff angle"/>
     </inputs>
     <outputs> 
-        <data format="tabular" name="output" label="Hbond Analysis raw data"/>
-        <data format="tabular" name="freq_output" label="Hbond Frequency"/>
-        <data format="tabular" name="number_output" label="Number of Hbonds Per Time Step"/>
-        <data format="tabular" name="time_output" label="Time Steps for Each Observed Hbond"/>
+        <data format="tabular" name="output" label="H-bond analysis raw data"/>
+        <data format="tabular" name="freq_output" label="H-bond frequency"/>
+        <data format="tabular" name="number_output" label="Number of H-bonds per time step"/>
+        <data format="tabular" name="time_output" label="Time steps for each observed H-bond"/>
     </outputs>
     <tests>
         <test>
@@ -51,7 +53,7 @@
 
 **What it does**
         
-This tool calculates hydrogen bonds between two segments of the system.
+This tool calculates hydrogen bonds between two segments of the system. Note that a MDAnalysis 'segment' is a larger organizational unit,  for example one protein or all the solvent molecules or simply the whole system.
 
 _____
 
@@ -62,8 +64,8 @@
 
        - Trajectory file  (DCD).
        - PDB file.
-       - Segids of the two segments.
-       - cutoff distance and angle.
+       - Segment IDs of the two segments.
+       - Cutoff distance and angle.
      
 _____
 
@@ -72,7 +74,7 @@
 
 **Output**
 
-       - .csv files of the Hbond frequency, number of Hbonds Per time step, and time steps for each observed Hbond
+       - Tabular files containing H-bond frequency, number of H-bonds Per time step, and time steps for each observed H-bond.
 
 
     ]]></help>
--- a/macros.xml	Wed Apr 03 15:48:18 2019 -0400
+++ b/macros.xml	Mon Oct 07 12:51:36 2019 -0400
@@ -1,14 +1,14 @@
 <macros>
-    <token name="@VERSION@">0.19</token>
+    <token name="@VERSION@">0.20</token>
     <xml name="requirements">
         <requirements>
-            <requirement type="package" version="0.19.2">mdanalysis</requirement>
+            <requirement type="package" version="0.20.1">mdanalysis</requirement>
             <yield/>
         </requirements>
     </xml>
     <xml name="analysis_inputs">
-        <param format="dcd" name="dcdin" type="data" label="dcd trajectory input"/>
-        <param format="pdb" name="pdbin" type="data" label="pdb input"/>
+        <param format="dcd,xtc" name="trajin" type="data" label="DCD/XTC trajectory input"/>
+        <param format="pdb,gro" name="strin" type="data" label="PDB/GRO input"/>
         <yield/>
     </xml>
     <xml name="sanitizer">
@@ -24,8 +24,13 @@
         <yield/>
     </xml>
     <xml name="tests_inputs">
-        <param name="dcdin" value="test.dcd" />
-        <param name="pdbin" value="test.pdb" />
+        <param name="trajin" value="test.dcd" ftype="dcd"/>
+        <param name="strin" value="test.pdb" ftype="pdb"/>
+        <yield/>
+    </xml>
+    <xml name="tests_inputs_gmx">
+        <param name="trajin" value="test.xtc" ftype="xtc"/>
+        <param name="strin" value="test.gro" ftype="gro"/>
         <yield/>
     </xml>
     <xml name="citations">
--- a/pca_cosine.py	Wed Apr 03 15:48:18 2019 -0400
+++ b/pca_cosine.py	Mon Oct 07 12:51:36 2019 -0400
@@ -12,8 +12,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--icomponents', help='number of principle components')
     parser.add_argument('--iindex', help='index of the PC')
     parser.add_argument('--output', help='output')
@@ -23,7 +25,8 @@
 
 args = parse_command_line(sys.argv)
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 
 components = int(args.icomponents)
 pca_index = int(args.iindex)
--- a/ramachandran_plots.py	Wed Apr 03 15:48:18 2019 -0400
+++ b/ramachandran_plots.py	Mon Oct 07 12:51:36 2019 -0400
@@ -19,8 +19,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -94,13 +96,16 @@
     return np.rad2deg(dihe)
 
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 
 phi_trajdata = np.array(
     [(u.trajectory.frame, calc_torsion(dihe_phi)) for ts in u.trajectory])
 psi_trajdata = np.array(
     [(u.trajectory.frame, calc_torsion(dihe_psi)) for ts in u.trajectory])
 
+print(phi_trajdata, psi_trajdata)
+
 phi_frame, phi_series = phi_trajdata.T
 psi_frame, psi_series = psi_trajdata.T
 
--- a/rdf.py	Wed Apr 03 15:48:18 2019 -0400
+++ b/rdf.py	Mon Oct 07 12:51:36 2019 -0400
@@ -16,8 +16,10 @@
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
-    parser.add_argument('--idcd', help='input dcd')
-    parser.add_argument('--ipdb', help='input pdb')
+    parser.add_argument('--itraj', help='input traj')
+    parser.add_argument('--istr', help='input str')
+    parser.add_argument('--itrajext', help='input traj ext')
+    parser.add_argument('--istrext', help='input str ext')
     parser.add_argument('--isegid1', help='segid 1')
     parser.add_argument('--iresid1', help='resid 1')
     parser.add_argument('--iname1', help='name 1')
@@ -42,7 +44,8 @@
 start = float(args.istart)
 end = float(args.iend)
 
-u = mda.Universe(args.ipdb, args.idcd, topology_format="PDB", format="DCD")
+u = mda.Universe(args.istr, args.itraj,
+                 topology_format=args.istrext, format=args.itrajext)
 x = u.select_atoms(atom1)
 y = u.select_atoms(atom2)
 
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Ramachandran_Plot_raw_data_gmx.tabular	Mon Oct 07 12:51:36 2019 -0400
@@ -0,0 +1,15 @@
+0	-144.6049403672638	97.68547741778757
+1	-141.28378752267525	97.77436430526272
+2	-140.5507581701893	96.64897577753301
+3	-139.80360840706982	96.77167935748881
+4	-134.73236008867292	95.35031471736332
+5	-133.2788812847167	97.90764978970712
+6	-132.85758534848696	97.74270020478778
+7	-132.92861986639113	98.03936669749623
+8	-132.36160579612704	97.75307833579126
+9	-133.24942867028537	98.47767719548273
+10	-129.07281864740457	93.50325320406353
+11	-138.52555276641212	98.65922847590556
+12	-134.17197735904452	86.3334209333448
+13	-135.7743412592041	89.34890663035344
+14	-151.15173106037906	101.47282449338631
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/test.gro	Mon Oct 07 12:51:36 2019 -0400
@@ -0,0 +1,61652 @@
+Glycine aRginine prOline Methionine Alanine Cystine Serine
+61649
+    2SER      N    1   2.371   0.440   0.529
+    2SER    HT1    2   2.277   0.401   0.505
+    2SER    HT2    3   2.399   0.406   0.623
+    2SER    HT3    4   2.441   0.402   0.461
+    2SER     CA    5   2.369   0.591   0.523
+    2SER     HA    6   2.305   0.626   0.603
+    2SER     CB    7   2.513   0.648   0.547
+    2SER    HB1    8   2.550   0.611   0.645
+    2SER    HB2    9   2.511   0.759   0.552
+    2SER     OG   10   2.603   0.606   0.444
+    2SER    HG1   11   2.693   0.638   0.465
+    2SER      C   12   2.309   0.645   0.394
+    2SER      O   13   2.229   0.574   0.331
+    3ALA      N   14   2.342   0.767   0.352
+    3ALA     HN   15   2.411   0.824   0.396
+    3ALA     CA   16   2.294   0.828   0.229
+    3ALA     HA   17   2.242   0.755   0.168
+    3ALA     CB   18   2.201   0.948   0.258
+    3ALA    HB1   19   2.251   1.022   0.324
+    3ALA    HB2   20   2.109   0.913   0.308
+    3ALA    HB3   21   2.172   0.998   0.164
+    3ALA      C   22   2.415   0.875   0.151
+    3ALA      O   23   2.517   0.908   0.207
+    4CYS      N   24   2.401   0.875   0.017
+    4CYS     HN   25   2.314   0.848  -0.026
+    4CYS     CA   26   2.503   0.915  -0.077
+    4CYS     HA   27   2.577   0.976  -0.027
+    4CYS     CB   28   2.570   0.795  -0.148
+    4CYS    HB1   29   2.626   0.829  -0.238
+    4CYS    HB2   30   2.491   0.726  -0.185
+    4CYS     SG   31   2.689   0.708  -0.041
+    4CYS      C   32   2.434   1.003  -0.177
+    4CYS      O   33   2.310   1.011  -0.185
+    5THR      N   34   2.513   1.082  -0.251
+    5THR     HN   35   2.612   1.073  -0.243
+    5THR     CA   36   2.463   1.189  -0.334
+    5THR     HA   37   2.359   1.168  -0.361
+    5THR     CB   38   2.471   1.327  -0.267
+    5THR     HB   39   2.436   1.406  -0.337
+    5THR    OG1   40   2.605   1.358  -0.227
+    5THR    HG1   41   2.654   1.352  -0.310
+    5THR    CG2   42   2.379   1.330  -0.145
+    5THR   HG21   43   2.413   1.259  -0.066
+    5THR   HG22   44   2.276   1.300  -0.175
+    5THR   HG23   45   2.375   1.431  -0.100
+    5THR      C   46   2.539   1.190  -0.465
+    5THR      O   47   2.581   1.296  -0.511
+    6LEU      N   48   2.559   1.072  -0.527
+    6LEU     HN   49   2.522   0.985  -0.489
+    6LEU     CA   50   2.613   1.064  -0.662
+    6LEU     HA   51   2.693   1.135  -0.673
+    6LEU     CB   52   2.664   0.921  -0.694
+    6LEU    HB1   53   2.704   0.919  -0.798
+    6LEU    HB2   54   2.578   0.850  -0.687
+    6LEU     CG   55   2.774   0.867  -0.600
+    6LEU     HG   56   2.733   0.865  -0.496
+    6LEU    CD1   57   2.810   0.722  -0.638
+    6LEU   HD11   58   2.849   0.716  -0.741
+    6LEU   HD12   59   2.718   0.658  -0.631
+    6LEU   HD13   60   2.885   0.680  -0.568
+    6LEU    CD2   61   2.900   0.954  -0.602
+    6LEU   HD21   62   2.877   1.056  -0.564
+    6LEU   HD22   63   2.939   0.964  -0.705
+    6LEU   HD23   64   2.979   0.910  -0.538
+    6LEU      C   65   2.505   1.102  -0.763
+    6LEU      O   66   2.529   1.158  -0.868
+    7GLN      N   67   2.378   1.075  -0.725
+    7GLN     HN   68   2.357   1.024  -0.641
+    7GLN     CA   69   2.262   1.113  -0.801
+    7GLN     HA   70   2.291   1.166  -0.890
+    7GLN     CB   71   2.178   0.990  -0.840
+    7GLN    HB1   72   2.098   1.021  -0.910
+    7GLN    HB2   73   2.128   0.948  -0.749
+    7GLN     CG   74   2.265   0.878  -0.901
+    7GLN    HG1   75   2.333   0.834  -0.825
+    7GLN    HG2   76   2.327   0.921  -0.984
+    7GLN     CD   77   2.181   0.767  -0.962
+    7GLN    OE1   78   2.190   0.744  -1.082
+    7GLN    NE2   79   2.097   0.701  -0.879
+    7GLN   HE21   80   2.085   0.731  -0.785
+    7GLN   HE22   81   2.035   0.634  -0.921
+    7GLN      C   82   2.183   1.207  -0.712
+    7GLN      O   83   2.176   1.194  -0.590
+    8SER      N   84   2.125   1.313  -0.770
+    8SER     HN   85   2.120   1.326  -0.868
+    8SER     CA   86   2.049   1.408  -0.692
+    8SER     HA   87   2.102   1.426  -0.599
+    8SER     CB   88   2.035   1.544  -0.763
+    8SER    HB1   89   2.137   1.588  -0.771
+    8SER    HB2   90   1.971   1.615  -0.705
+    8SER     OG   91   1.987   1.530  -0.897
+    8SER    HG1   92   1.897   1.493  -0.894
+    8SER      C   93   1.913   1.356  -0.653
+    8SER      O   94   1.836   1.312  -0.739
+    9GLU      N   95   1.878   1.361  -0.524
+    9GLU     HN   96   1.939   1.399  -0.454
+    9GLU     CA   97   1.747   1.325  -0.477
+    9GLU     HA   98   1.703   1.252  -0.544
+    9GLU     CB   99   1.749   1.263  -0.335
+    9GLU    HB1  100   1.803   1.331  -0.266
+    9GLU    HB2  101   1.808   1.168  -0.340
+    9GLU     CG  102   1.609   1.230  -0.275
+    9GLU    HG1  103   1.547   1.322  -0.264
+    9GLU    HG2  104   1.621   1.188  -0.173
+    9GLU     CD  105   1.533   1.126  -0.358
+    9GLU    OE1  106   1.593   1.059  -0.442
+    9GLU    OE2  107   1.408   1.106  -0.335
+    9GLU      C  108   1.660   1.448  -0.481
+    9GLU      O  109   1.694   1.553  -0.426
+   10THR      N  110   1.548   1.441  -0.555
+   10THR     HN  111   1.522   1.354  -0.598
+   10THR     CA  112   1.455   1.551  -0.566
+   10THR     HA  113   1.464   1.616  -0.480
+   10THR     CB  114   1.471   1.632  -0.695
+   10THR     HB  115   1.462   1.563  -0.783
+   10THR    OG1  116   1.599   1.693  -0.700
+   10THR    HG1  117   1.658   1.624  -0.668
+   10THR    CG2  118   1.365   1.743  -0.706
+   10THR   HG21  119   1.362   1.802  -0.612
+   10THR   HG22  120   1.264   1.700  -0.724
+   10THR   HG23  121   1.390   1.810  -0.791
+   10THR      C  122   1.318   1.492  -0.564
+   10THR      O  123   1.284   1.410  -0.649
+   11HSD      N  124   1.235   1.532  -0.467
+   11HSD     HN  125   1.265   1.597  -0.398
+   11HSD     CA  126   1.102   1.477  -0.448
+   11HSD     HA  127   1.105   1.370  -0.468
+   11HSD     CB  128   1.060   1.495  -0.301
+   11HSD    HB1  129   0.963   1.444  -0.281
+   11HSD    HB2  130   1.048   1.603  -0.278
+   11HSD    ND1  131   1.223   1.513  -0.106
+   11HSD    HD1  132   1.214   1.612  -0.090
+   11HSD     CG  133   1.161   1.439  -0.204
+   11HSD    CE1  134   1.298   1.427  -0.033
+   11HSD    HE1  135   1.356   1.455   0.054
+   11HSD    NE2  136   1.288   1.304  -0.078
+   11HSD    CD2  137   1.201   1.310  -0.185
+   11HSD    HD2  138   1.174   1.221  -0.240
+   11HSD      C  139   1.001   1.546  -0.538
+   11HSD      O  140   0.996   1.671  -0.535
+   12PRO      N  141   0.919   1.481  -0.620
+   12PRO     CD  142   0.939   1.342  -0.663
+   12PRO    HD1  143   0.901   1.273  -0.584
+   12PRO    HD2  144   1.046   1.320  -0.682
+   12PRO     CA  145   0.811   1.545  -0.693
+   12PRO     HA  146   0.859   1.616  -0.758
+   12PRO     CB  147   0.745   1.432  -0.774
+   12PRO    HB1  148   0.706   1.467  -0.871
+   12PRO    HB2  149   0.661   1.386  -0.716
+   12PRO     CG  150   0.856   1.327  -0.790
+   12PRO    HG1  151   0.816   1.224  -0.803
+   12PRO    HG2  152   0.918   1.353  -0.879
+   12PRO      C  153   0.712   1.619  -0.603
+   12PRO      O  154   0.660   1.554  -0.513
+   13PRO      N  155   0.682   1.749  -0.618
+   13PRO     CD  156   0.727   1.833  -0.729
+   13PRO    HD1  157   0.722   1.780  -0.826
+   13PRO    HD2  158   0.832   1.864  -0.707
+   13PRO     CA  159   0.582   1.817  -0.537
+   13PRO     HA  160   0.605   1.803  -0.432
+   13PRO     CB  161   0.594   1.964  -0.580
+   13PRO    HB1  162   0.677   2.011  -0.523
+   13PRO    HB2  163   0.501   2.021  -0.563
+   13PRO     CG  164   0.633   1.953  -0.728
+   13PRO    HG1  165   0.543   1.930  -0.787
+   13PRO    HG2  166   0.680   2.046  -0.767
+   13PRO      C  167   0.444   1.761  -0.560
+   13PRO      O  168   0.410   1.724  -0.673
+   14LEU      N  169   0.362   1.755  -0.454
+   14LEU     HN  170   0.393   1.785  -0.364
+   14LEU     CA  171   0.225   1.713  -0.465
+   14LEU     HA  172   0.188   1.735  -0.565
+   14LEU     CB  173   0.210   1.562  -0.435
+   14LEU    HB1  174   0.246   1.542  -0.331
+   14LEU    HB2  175   0.278   1.506  -0.504
+   14LEU     CG  176   0.068   1.504  -0.450
+   14LEU     HG  177  -0.002   1.560  -0.384
+   14LEU    CD1  178   0.017   1.514  -0.595
+   14LEU   HD11  179   0.087   1.464  -0.665
+   14LEU   HD12  180   0.006   1.620  -0.626
+   14LEU   HD13  181  -0.082   1.465  -0.604
+   14LEU    CD2  182   0.066   1.357  -0.405
+   14LEU   HD21  183   0.103   1.348  -0.301
+   14LEU   HD22  184   0.131   1.295  -0.472
+   14LEU   HD23  185  -0.037   1.317  -0.410
+   14LEU      C  186   0.144   1.796  -0.369
+   14LEU      O  187   0.174   1.806  -0.250
+   15THR      N  188   0.039   1.863  -0.419
+   15THR     HN  189   0.015   1.860  -0.516
+   15THR     CA  190  -0.046   1.946  -0.335
+   15THR     HA  191   0.007   1.970  -0.244
+   15THR     CB  192  -0.086   2.080  -0.395
+   15THR     HB  193  -0.146   2.137  -0.320
+   15THR    OG1  194  -0.162   2.070  -0.515
+   15THR    HG1  195  -0.194   2.160  -0.529
+   15THR    CG2  196   0.041   2.160  -0.426
+   15THR   HG21  197   0.103   2.109  -0.502
+   15THR   HG22  198   0.101   2.174  -0.334
+   15THR   HG23  199   0.015   2.261  -0.465
+   15THR      C  200  -0.169   1.869  -0.292
+   15THR      O  201  -0.210   1.770  -0.352
+   16TRP      N  202  -0.229   1.913  -0.181
+   16TRP     HN  203  -0.196   1.993  -0.132
+   16TRP     CA  204  -0.343   1.846  -0.123
+   16TRP     HA  205  -0.409   1.815  -0.203
+   16TRP     CB  206  -0.303   1.720  -0.040
+   16TRP    HB1  207  -0.257   1.648  -0.110
+   16TRP    HB2  208  -0.394   1.672  -0.001
+   16TRP     CG  209  -0.207   1.742   0.074
+   16TRP    CD1  210  -0.070   1.755   0.066
+   16TRP    HD1  211  -0.014   1.753  -0.027
+   16TRP    NE1  212  -0.019   1.769   0.192
+   16TRP    HE1  213   0.076   1.775   0.218
+   16TRP    CE2  214  -0.119   1.763   0.284
+   16TRP    CD2  215  -0.240   1.745   0.214
+   16TRP    CE3  216  -0.360   1.734   0.284
+   16TRP    HE3  217  -0.454   1.719   0.233
+   16TRP    CZ3  218  -0.357   1.742   0.424
+   16TRP    HZ3  219  -0.449   1.732   0.479
+   16TRP    CZ2  220  -0.116   1.770   0.423
+   16TRP    HZ2  221  -0.022   1.783   0.475
+   16TRP    CH2  222  -0.236   1.758   0.492
+   16TRP    HH2  223  -0.235   1.758   0.600
+   16TRP      C  224  -0.418   1.950  -0.044
+   16TRP      O  225  -0.373   2.065  -0.031
+   17GLN      N  226  -0.537   1.917   0.006
+   17GLN     HN  227  -0.573   1.824  -0.010
+   17GLN     CA  228  -0.626   2.010   0.072
+   17GLN     HA  229  -0.583   2.109   0.073
+   17GLN     CB  230  -0.764   2.012   0.003
+   17GLN    HB1  231  -0.837   2.069   0.065
+   17GLN    HB2  232  -0.800   1.908  -0.003
+   17GLN     CG  233  -0.764   2.073  -0.139
+   17GLN    HG1  234  -0.863   2.058  -0.185
+   17GLN    HG2  235  -0.689   2.021  -0.202
+   17GLN     CD  236  -0.738   2.223  -0.135
+   17GLN    OE1  237  -0.808   2.295  -0.063
+   17GLN    NE2  238  -0.642   2.274  -0.215
+   17GLN   HE21  239  -0.634   2.374  -0.218
+   17GLN   HE22  240  -0.592   2.214  -0.277
+   17GLN      C  241  -0.647   1.969   0.217
+   17GLN      O  242  -0.672   1.854   0.247
+   18LYS      N  243  -0.643   2.068   0.308
+   18LYS     HN  244  -0.622   2.162   0.282
+   18LYS     CA  245  -0.681   2.044   0.446
+   18LYS     HA  246  -0.704   1.939   0.461
+   18LYS     CB  247  -0.572   2.082   0.548
+   18LYS    HB1  248  -0.557   2.193   0.548
+   18LYS    HB2  249  -0.477   2.036   0.513
+   18LYS     CG  250  -0.602   2.029   0.689
+   18LYS    HG1  251  -0.599   1.918   0.685
+   18LYS    HG2  252  -0.706   2.058   0.719
+   18LYS     CD  253  -0.505   2.082   0.795
+   18LYS    HD1  254  -0.524   2.191   0.804
+   18LYS    HD2  255  -0.400   2.071   0.761
+   18LYS     CE  256  -0.523   2.022   0.936
+   18LYS    HE1  257  -0.629   2.030   0.967
+   18LYS    HE2  258  -0.460   2.078   1.007
+   18LYS     NZ  259  -0.484   1.879   0.943
+   18LYS    HZ1  260  -0.382   1.870   0.916
+   18LYS    HZ2  261  -0.543   1.823   0.879
+   18LYS    HZ3  262  -0.494   1.842   1.040
+   18LYS      C  263  -0.807   2.123   0.471
+   18LYS      O  264  -0.810   2.247   0.457
+   19CYS      N  265  -0.916   2.053   0.503
+   19CYS     HN  266  -0.908   1.953   0.517
+   19CYS     CA  267  -1.048   2.108   0.522
+   19CYS     HA  268  -1.051   2.208   0.481
+   19CYS     CB  269  -1.156   2.025   0.449
+   19CYS    HB1  270  -1.257   2.069   0.465
+   19CYS    HB2  271  -1.158   1.922   0.492
+   19CYS     SG  272  -1.125   2.012   0.271
+   19CYS      C  273  -1.080   2.122   0.669
+   19CYS      O  274  -1.012   2.070   0.757
+   20SER      N  275  -1.184   2.200   0.700
+   20SER     HN  276  -1.239   2.242   0.628
+   20SER     CA  277  -1.219   2.236   0.835
+   20SER     HA  278  -1.175   2.165   0.905
+   20SER     CB  279  -1.174   2.380   0.870
+   20SER    HB1  280  -1.064   2.388   0.858
+   20SER    HB2  281  -1.197   2.404   0.976
+   20SER     OG  282  -1.238   2.478   0.788
+   20SER    HG1  283  -1.200   2.474   0.699
+   20SER      C  284  -1.368   2.228   0.854
+   20SER      O  285  -1.447   2.229   0.760
+   21SER      N  286  -1.412   2.226   0.981
+   21SER     HN  287  -1.350   2.226   1.059
+   21SER     CA  288  -1.552   2.220   1.019
+   21SER     HA  289  -1.601   2.146   0.956
+   21SER     CB  290  -1.566   2.177   1.167
+   21SER    HB1  291  -1.521   2.076   1.178
+   21SER    HB2  292  -1.673   2.169   1.196
+   21SER     OG  293  -1.495   2.268   1.252
+   21SER    HG1  294  -1.550   2.347   1.260
+   21SER      C  295  -1.625   2.352   1.000
+   21SER      O  296  -1.746   2.360   1.013
+   22GLY      N  297  -1.549   2.461   0.971
+   22GLY     HN  298  -1.450   2.451   0.966
+   22GLY     CA  299  -1.604   2.591   0.933
+   22GLY    HA1  300  -1.523   2.663   0.936
+   22GLY    HA2  301  -1.686   2.617   0.999
+   22GLY      C  302  -1.657   2.591   0.792
+   22GLY      O  303  -1.741   2.674   0.755
+   23GLY      N  304  -1.610   2.497   0.709
+   23GLY     HN  305  -1.542   2.431   0.744
+   23GLY     CA  306  -1.661   2.475   0.575
+   23GLY    HA1  307  -1.756   2.525   0.561
+   23GLY    HA2  308  -1.668   2.368   0.561
+   23GLY      C  309  -1.567   2.526   0.470
+   23GLY      O  310  -1.609   2.554   0.358
+   24THR      N  311  -1.439   2.539   0.503
+   24THR     HN  312  -1.408   2.519   0.596
+   24THR     CA  313  -1.336   2.591   0.415
+   24THR     HA  314  -1.376   2.602   0.315
+   24THR     CB  315  -1.277   2.725   0.458
+   24THR     HB  316  -1.189   2.753   0.396
+   24THR    OG1  317  -1.238   2.724   0.595
+   24THR    HG1  318  -1.215   2.816   0.618
+   24THR    CG2  319  -1.386   2.832   0.441
+   24THR   HG21  320  -1.471   2.813   0.510
+   24THR   HG22  321  -1.424   2.830   0.337
+   24THR   HG23  322  -1.345   2.933   0.461
+   24THR      C  323  -1.224   2.490   0.406
+   24THR      O  324  -1.196   2.416   0.499
+   25CYS      N  325  -1.157   2.486   0.288
+   25CYS     HN  326  -1.183   2.544   0.212
+   25CYS     CA  327  -1.039   2.406   0.269
+   25CYS     HA  328  -1.008   2.363   0.362
+   25CYS     CB  329  -1.057   2.294   0.163
+   25CYS    HB1  330  -0.964   2.233   0.157
+   25CYS    HB2  331  -1.072   2.342   0.064
+   25CYS     SG  332  -1.200   2.185   0.194
+   25CYS      C  333  -0.928   2.498   0.227
+   25CYS      O  334  -0.952   2.611   0.179
+   26THR      N  335  -0.804   2.457   0.250
+   26THR     HN  336  -0.789   2.365   0.288
+   26THR     CA  337  -0.684   2.536   0.227
+   26THR     HA  338  -0.705   2.612   0.154
+   26THR     CB  339  -0.625   2.599   0.354
+   26THR     HB  340  -0.522   2.639   0.334
+   26THR    OG1  341  -0.621   2.507   0.463
+   26THR    HG1  342  -0.702   2.456   0.454
+   26THR    CG2  343  -0.715   2.715   0.397
+   26THR   HG21  344  -0.816   2.679   0.426
+   26THR   HG22  345  -0.728   2.788   0.314
+   26THR   HG23  346  -0.670   2.768   0.484
+   26THR      C  347  -0.579   2.444   0.168
+   26THR      O  348  -0.559   2.334   0.215
+   27GLN      N  349  -0.511   2.490   0.059
+   27GLN     HN  350  -0.537   2.576   0.015
+   27GLN     CA  351  -0.401   2.414   0.002
+   27GLN     HA  352  -0.441   2.315  -0.018
+   27GLN     CB  353  -0.355   2.470  -0.136
+   27GLN    HB1  354  -0.321   2.574  -0.122
+   27GLN    HB2  355  -0.445   2.473  -0.202
+   27GLN     CG  356  -0.243   2.386  -0.204
+   27GLN    HG1  357  -0.276   2.280  -0.209
+   27GLN    HG2  358  -0.149   2.390  -0.146
+   27GLN     CD  359  -0.212   2.431  -0.347
+   27GLN    OE1  360  -0.234   2.360  -0.445
+   27GLN    NE2  361  -0.156   2.553  -0.360
+   27GLN   HE21  362  -0.128   2.582  -0.451
+   27GLN   HE22  363  -0.123   2.601  -0.279
+   27GLN      C  364  -0.283   2.392   0.096
+   27GLN      O  365  -0.239   2.480   0.170
+   28GLN      N  366  -0.229   2.270   0.093
+   28GLN     HN  367  -0.271   2.199   0.035
+   28GLN     CA  368  -0.111   2.228   0.162
+   28GLN     HA  369  -0.066   2.310   0.217
+   28GLN     CB  370  -0.140   2.106   0.252
+   28GLN    HB1  371  -0.049   2.081   0.312
+   28GLN    HB2  372  -0.163   2.018   0.188
+   28GLN     CG  373  -0.261   2.123   0.348
+   28GLN    HG1  374  -0.270   2.030   0.408
+   28GLN    HG2  375  -0.354   2.134   0.289
+   28GLN     CD  376  -0.245   2.240   0.445
+   28GLN    OE1  377  -0.160   2.240   0.533
+   28GLN    NE2  378  -0.333   2.343   0.434
+   28GLN   HE21  379  -0.397   2.346   0.357
+   28GLN   HE22  380  -0.324   2.418   0.498
+   28GLN      C  381  -0.017   2.185   0.051
+   28GLN      O  382  -0.061   2.140  -0.055
+   29THR      N  383   0.115   2.199   0.070
+   29THR     HN  384   0.152   2.230   0.157
+   29THR     CA  385   0.212   2.159  -0.032
+   29THR     HA  386   0.163   2.109  -0.114
+   29THR     CB  387   0.293   2.276  -0.087
+   29THR     HB  388   0.352   2.325  -0.007
+   29THR    OG1  389   0.206   2.374  -0.144
+   29THR    HG1  390   0.141   2.392  -0.075
+   29THR    CG2  391   0.387   2.227  -0.199
+   29THR   HG21  392   0.331   2.174  -0.278
+   29THR   HG22  393   0.464   2.158  -0.159
+   29THR   HG23  394   0.440   2.313  -0.245
+   29THR      C  395   0.307   2.060   0.031
+   29THR      O  396   0.377   2.093   0.126
+   30GLY      N  397   0.308   1.936  -0.022
+   30GLY     HN  398   0.253   1.913  -0.102
+   30GLY     CA  399   0.398   1.830   0.020
+   30GLY    HA1  400   0.337   1.747   0.053
+   30GLY    HA2  401   0.468   1.864   0.094
+   30GLY      C  402   0.476   1.783  -0.099
+   30GLY      O  403   0.488   1.852  -0.201
+   31SER      N  404   0.530   1.662  -0.092
+   31SER     HN  405   0.521   1.604  -0.011
+   31SER     CA  406   0.607   1.603  -0.200
+   31SER     HA  407   0.555   1.621  -0.293
+   31SER     CB  408   0.753   1.657  -0.211
+   31SER    HB1  409   0.748   1.765  -0.233
+   31SER    HB2  410   0.805   1.607  -0.295
+   31SER     OG  411   0.826   1.639  -0.089
+   31SER    HG1  412   0.916   1.671  -0.101
+   31SER      C  413   0.603   1.454  -0.178
+   31SER      O  414   0.555   1.409  -0.075
+   32VAL      N  415   0.646   1.373  -0.277
+   32VAL     HN  416   0.681   1.410  -0.362
+   32VAL     CA  417   0.645   1.228  -0.266
+   32VAL     HA  418   0.610   1.200  -0.168
+   32VAL     CB  419   0.554   1.157  -0.367
+   32VAL     HB  420   0.564   1.047  -0.354
+   32VAL    CG1  421   0.407   1.194  -0.337
+   32VAL   HG11  422   0.390   1.303  -0.350
+   32VAL   HG12  423   0.382   1.166  -0.232
+   32VAL   HG13  424   0.339   1.139  -0.405
+   32VAL    CG2  425   0.591   1.192  -0.513
+   32VAL   HG21  426   0.695   1.163  -0.536
+   32VAL   HG22  427   0.580   1.301  -0.530
+   32VAL   HG23  428   0.524   1.139  -0.583
+   32VAL      C  429   0.786   1.172  -0.275
+   32VAL      O  430   0.870   1.224  -0.348
+   33VAL      N  431   0.814   1.066  -0.198
+   33VAL     HN  432   0.745   1.028  -0.136
+   33VAL     CA  433   0.944   1.003  -0.193
+   33VAL     HA  434   1.005   1.041  -0.274
+   33VAL     CB  435   1.018   1.031  -0.063
+   33VAL     HB  436   1.032   1.142  -0.058
+   33VAL    CG1  437   0.937   0.988   0.060
+   33VAL   HG11  438   0.927   0.878   0.064
+   33VAL   HG12  439   0.835   1.034   0.061
+   33VAL   HG13  440   0.989   1.021   0.152
+   33VAL    CG2  441   1.158   0.967  -0.060
+   33VAL   HG21  442   1.219   1.002  -0.146
+   33VAL   HG22  443   1.152   0.856  -0.059
+   33VAL   HG23  444   1.210   0.999   0.033
+   33VAL      C  445   0.930   0.855  -0.218
+   33VAL      O  446   0.839   0.790  -0.165
+   34ILE      N  447   1.015   0.797  -0.305
+   34ILE     HN  448   1.086   0.851  -0.350
+   34ILE     CA  449   1.013   0.654  -0.335
+   34ILE     HA  450   0.910   0.622  -0.329
+   34ILE     CB  451   1.063   0.621  -0.475
+   34ILE     HB  452   1.012   0.692  -0.545
+   34ILE    CG2  453   1.215   0.644  -0.488
+   34ILE   HG21  454   1.272   0.571  -0.426
+   34ILE   HG22  455   1.243   0.747  -0.455
+   34ILE   HG23  456   1.248   0.632  -0.593
+   34ILE    CG1  457   1.021   0.479  -0.521
+   34ILE   HG11  458   0.914   0.464  -0.495
+   34ILE   HG12  459   1.079   0.403  -0.464
+   34ILE     CD  460   1.037   0.455  -0.671
+   34ILE    HD1  461   1.144   0.460  -0.701
+   34ILE    HD2  462   0.981   0.531  -0.729
+   34ILE    HD3  463   0.998   0.354  -0.699
+   34ILE      C  464   1.086   0.575  -0.227
+   34ILE      O  465   1.186   0.617  -0.171
+   35ASP      N  466   1.030   0.455  -0.198
+   35ASP     HN  467   0.944   0.428  -0.241
+   35ASP     CA  468   1.082   0.359  -0.103
+   35ASP     HA  469   1.084   0.409  -0.007
+   35ASP     CB  470   0.983   0.241  -0.093
+   35ASP    HB1  471   0.967   0.195  -0.192
+   35ASP    HB2  472   0.884   0.279  -0.058
+   35ASP     CG  473   1.028   0.134   0.004
+   35ASP    OD1  474   1.085   0.031  -0.040
+   35ASP    OD2  475   1.009   0.156   0.126
+   35ASP      C  476   1.226   0.316  -0.130
+   35ASP      O  477   1.276   0.311  -0.243
+   36ALA      N  478   1.299   0.284  -0.022
+   36ALA     HN  479   1.253   0.284   0.068
+   36ALA     CA  480   1.438   0.248  -0.022
+   36ALA     HA  481   1.492   0.332  -0.064
+   36ALA     CB  482   1.485   0.226   0.123
+   36ALA    HB1  483   1.430   0.142   0.169
+   36ALA    HB2  484   1.465   0.318   0.183
+   36ALA    HB3  485   1.594   0.205   0.126
+   36ALA      C  486   1.472   0.127  -0.109
+   36ALA      O  487   1.579   0.122  -0.169
+   37ASN      N  488   1.382   0.026  -0.119
+   37ASN     HN  489   1.292   0.033  -0.074
+   37ASN     CA  490   1.406  -0.093  -0.200
+   37ASN     HA  491   1.499  -0.136  -0.165
+   37ASN     CB  492   1.292  -0.198  -0.189
+   37ASN    HB1  493   1.292  -0.266  -0.276
+   37ASN    HB2  494   1.193  -0.147  -0.184
+   37ASN     CG  495   1.312  -0.286  -0.065
+   37ASN    OD1  496   1.399  -0.265   0.018
+   37ASN    ND2  497   1.234  -0.398  -0.062
+   37ASN   HD21  498   1.246  -0.464   0.012
+   37ASN   HD22  499   1.170  -0.416  -0.135
+   37ASN      C  500   1.432  -0.066  -0.348
+   37ASN      O  501   1.516  -0.131  -0.409
+   38TRP      N  502   1.360   0.033  -0.407
+   38TRP     HN  503   1.297   0.086  -0.351
+   38TRP     CA  504   1.372   0.071  -0.547
+   38TRP     HA  505   1.368  -0.019  -0.607
+   38TRP     CB  506   1.254   0.164  -0.586
+   38TRP    HB1  507   1.281   0.225  -0.675
+   38TRP    HB2  508   1.235   0.236  -0.503
+   38TRP     CG  509   1.126   0.093  -0.620
+   38TRP    CD1  510   1.080   0.072  -0.747
+   38TRP    HD1  511   1.131   0.106  -0.837
+   38TRP    NE1  512   0.961   0.004  -0.744
+   38TRP    HE1  513   0.903  -0.017  -0.820
+   38TRP    CE2  514   0.928  -0.021  -0.614
+   38TRP    CD2  515   1.029   0.033  -0.532
+   38TRP    CE3  516   1.019   0.021  -0.394
+   38TRP    HE3  517   1.092   0.063  -0.326
+   38TRP    CZ3  518   0.908  -0.045  -0.341
+   38TRP    HZ3  519   0.899  -0.055  -0.233
+   38TRP    CZ2  520   0.818  -0.087  -0.562
+   38TRP    HZ2  521   0.741  -0.129  -0.626
+   38TRP    CH2  522   0.809  -0.099  -0.423
+   38TRP    HH2  523   0.725  -0.149  -0.378
+   38TRP      C  524   1.503   0.140  -0.580
+   38TRP      O  525   1.547   0.144  -0.695
+   39ARG      N  526   1.569   0.198  -0.479
+   39ARG     HN  527   1.533   0.189  -0.386
+   39ARG     CA  528   1.693   0.270  -0.493
+   39ARG     HA  529   1.679   0.337  -0.577
+   39ARG     CB  530   1.723   0.357  -0.369
+   39ARG    HB1  531   1.817   0.415  -0.386
+   39ARG    HB2  532   1.740   0.291  -0.281
+   39ARG     CG  533   1.612   0.458  -0.339
+   39ARG    HG1  534   1.515   0.404  -0.322
+   39ARG    HG2  535   1.598   0.524  -0.428
+   39ARG     CD  536   1.640   0.544  -0.216
+   39ARG    HD1  537   1.737   0.598  -0.224
+   39ARG    HD2  538   1.644   0.480  -0.124
+   39ARG     NE  539   1.525   0.641  -0.203
+   39ARG     HE  540   1.448   0.614  -0.147
+   39ARG     CZ  541   1.521   0.758  -0.264
+   39ARG    NH1  542   1.612   0.807  -0.339
+   39ARG   HH11  543   1.696   0.753  -0.358
+   39ARG   HH12  544   1.600   0.900  -0.380
+   39ARG    NH2  545   1.410   0.834  -0.243
+   39ARG   HH21  546   1.412   0.929  -0.276
+   39ARG   HH22  547   1.336   0.797  -0.190
+   39ARG      C  548   1.814   0.185  -0.526
+   39ARG      O  549   1.827   0.067  -0.494
+   40TRP      N  550   1.913   0.250  -0.592
+   40TRP     HN  551   1.898   0.344  -0.621
+   40TRP     CA  552   2.049   0.203  -0.596
+   40TRP     HA  553   2.048   0.102  -0.635
+   40TRP     CB  554   2.132   0.295  -0.690
+   40TRP    HB1  555   2.133   0.396  -0.644
+   40TRP    HB2  556   2.079   0.304  -0.787
+   40TRP     CG  557   2.274   0.256  -0.720
+   40TRP    CD1  558   2.329   0.129  -0.727
+   40TRP    HD1  559   2.275   0.037  -0.706
+   40TRP    NE1  560   2.460   0.139  -0.766
+   40TRP    HE1  561   2.525   0.064  -0.777
+   40TRP    CE2  562   2.493   0.270  -0.784
+   40TRP    CD2  563   2.379   0.347  -0.757
+   40TRP    CE3  564   2.385   0.486  -0.770
+   40TRP    HE3  565   2.300   0.549  -0.746
+   40TRP    CZ3  566   2.506   0.544  -0.809
+   40TRP    HZ3  567   2.513   0.652  -0.814
+   40TRP    CZ2  568   2.613   0.327  -0.823
+   40TRP    HZ2  569   2.700   0.267  -0.843
+   40TRP    CH2  570   2.618   0.466  -0.836
+   40TRP    HH2  571   2.710   0.515  -0.865
+   40TRP      C  572   2.111   0.199  -0.457
+   40TRP      O  573   2.095   0.292  -0.377
+   41THR      N  574   2.181   0.090  -0.424
+   41THR     HN  575   2.187   0.012  -0.487
+   41THR     CA  576   2.248   0.072  -0.297
+   41THR     HA  577   2.247   0.164  -0.241
+   41THR     CB  578   2.189  -0.041  -0.212
+   41THR     HB  579   2.206  -0.140  -0.261
+   41THR    OG1  580   2.048  -0.026  -0.199
+   41THR    HG1  581   2.016  -0.005  -0.288
+   41THR    CG2  582   2.248  -0.039  -0.071
+   41THR   HG21  583   2.222   0.056  -0.020
+   41THR   HG22  584   2.359  -0.048  -0.073
+   41THR   HG23  585   2.207  -0.124  -0.012
+   41THR      C  586   2.391   0.034  -0.330
+   41THR      O  587   2.418  -0.060  -0.401
+   42HSD      N  588   2.487   0.112  -0.276
+   42HSD     HN  589   2.466   0.186  -0.213
+   42HSD     CA  590   2.626   0.095  -0.313
+   42HSD     HA  591   2.647  -0.009  -0.330
+   42HSD     CB  592   2.663   0.176  -0.440
+   42HSD    HB1  593   2.598   0.142  -0.523
+   42HSD    HB2  594   2.768   0.158  -0.470
+   42HSD    ND1  595   2.739   0.414  -0.384
+   42HSD    HD1  596   2.832   0.391  -0.348
+   42HSD     CG  597   2.642   0.323  -0.423
+   42HSD    CE1  598   2.684   0.535  -0.388
+   42HSD    HE1  599   2.736   0.628  -0.360
+   42HSD    NE2  600   2.559   0.531  -0.428
+   42HSD    CD2  601   2.533   0.399  -0.451
+   42HSD    HD2  602   2.434   0.368  -0.485
+   42HSD      C  603   2.709   0.136  -0.195
+   42HSD      O  604   2.658   0.188  -0.096
+   43ALA      N  605   2.840   0.106  -0.200
+   43ALA     HN  606   2.875   0.055  -0.279
+   43ALA     CA  607   2.936   0.143  -0.099
+   43ALA     HA  608   2.900   0.101  -0.007
+   43ALA     CB  609   3.074   0.082  -0.131
+   43ALA    HB1  610   3.113   0.125  -0.225
+   43ALA    HB2  611   3.065  -0.028  -0.142
+   43ALA    HB3  612   3.146   0.103  -0.048
+   43ALA      C  613   2.950   0.293  -0.077
+   43ALA      O  614   2.931   0.375  -0.168
+   44THR      N  615   2.987   0.335   0.043
+   44THR     HN  616   3.004   0.271   0.119
+   44THR     CA  617   2.998   0.477   0.079
+   44THR     HA  618   2.908   0.526   0.045
+   44THR     CB  619   3.010   0.498   0.229
+   44THR     HB  620   3.037   0.602   0.254
+   44THR    OG1  621   3.105   0.407   0.285
+   44THR    HG1  622   3.099   0.415   0.380
+   44THR    CG2  623   2.873   0.466   0.292
+   44THR   HG21  624   2.840   0.363   0.268
+   44THR   HG22  625   2.797   0.537   0.252
+   44THR   HG23  626   2.877   0.476   0.402
+   44THR      C  627   3.114   0.548   0.011
+   44THR      O  628   3.115   0.671  -0.002
+   45ASN      N  629   3.215   0.472  -0.035
+   45ASN     HN  630   3.209   0.373  -0.023
+   45ASN     CA  631   3.338   0.525  -0.090
+   45ASN     HA  632   3.341   0.632  -0.078
+   45ASN     CB  633   3.457   0.463  -0.011
+   45ASN    HB1  634   3.448   0.498   0.094
+   45ASN    HB2  635   3.553   0.501  -0.051
+   45ASN     CG  636   3.460   0.310  -0.012
+   45ASN    OD1  637   3.392   0.241  -0.089
+   45ASN    ND2  638   3.539   0.254   0.082
+   45ASN   HD21  639   3.530   0.154   0.093
+   45ASN   HD22  640   3.573   0.310   0.157
+   45ASN      C  641   3.352   0.498  -0.240
+   45ASN      O  642   3.450   0.537  -0.304
+   46SER      N  643   3.254   0.432  -0.303
+   46SER     HN  644   3.169   0.407  -0.257
+   46SER     CA  645   3.270   0.387  -0.440
+   46SER     HA  646   3.310   0.469  -0.498
+   46SER     CB  647   3.364   0.264  -0.458
+   46SER    HB1  648   3.466   0.292  -0.424
+   46SER    HB2  649   3.372   0.235  -0.565
+   46SER     OG  650   3.319   0.152  -0.382
+   46SER    HG1  651   3.342   0.173  -0.289
+   46SER      C  652   3.134   0.358  -0.497
+   46SER      O  653   3.033   0.361  -0.428
+   47SER      N  654   3.126   0.330  -0.627
+   47SER     HN  655   3.205   0.325  -0.687
+   47SER     CA  656   3.001   0.303  -0.696
+   47SER     HA  657   2.918   0.348  -0.644
+   47SER     CB  658   3.010   0.361  -0.839
+   47SER    HB1  659   3.018   0.471  -0.830
+   47SER    HB2  660   2.918   0.339  -0.899
+   47SER     OG  661   3.126   0.312  -0.907
+   47SER    HG1  662   3.102   0.225  -0.942
+   47SER      C  663   2.976   0.154  -0.703
+   47SER      O  664   2.898   0.106  -0.785
+   48THR      N  665   3.045   0.076  -0.617
+   48THR     HN  666   3.099   0.121  -0.546
+   48THR     CA  667   3.034  -0.069  -0.610
+   48THR     HA  668   3.033  -0.108  -0.711
+   48THR     CB  669   3.148  -0.135  -0.532
+   48THR     HB  670   3.142  -0.109  -0.424
+   48THR    OG1  671   3.275  -0.090  -0.579
+   48THR    HG1  672   3.279   0.004  -0.560
+   48THR    CG2  673   3.145  -0.288  -0.549
+   48THR   HG21  674   3.148  -0.315  -0.656
+   48THR   HG22  675   3.054  -0.332  -0.503
+   48THR   HG23  676   3.234  -0.333  -0.499
+   48THR      C  677   2.906  -0.105  -0.541
+   48THR      O  678   2.884  -0.066  -0.426
+   49ASN      N  679   2.816  -0.178  -0.609
+   49ASN     HN  680   2.834  -0.203  -0.704
+   49ASN     CA  681   2.688  -0.219  -0.553
+   49ASN     HA  682   2.636  -0.129  -0.524
+   49ASN     CB  683   2.599  -0.297  -0.653
+   49ASN    HB1  684   2.511  -0.340  -0.600
+   49ASN    HB2  685   2.656  -0.382  -0.697
+   49ASN     CG  686   2.547  -0.209  -0.767
+   49ASN    OD1  687   2.612  -0.116  -0.815
+   49ASN    ND2  688   2.422  -0.236  -0.811
+   49ASN   HD21  689   2.371  -0.313  -0.771
+   49ASN   HD22  690   2.384  -0.183  -0.886
+   49ASN      C  691   2.703  -0.304  -0.426
+   49ASN      O  692   2.790  -0.389  -0.413
+   50CYS      N  693   2.612  -0.281  -0.328
+   50CYS     HN  694   2.546  -0.207  -0.337
+   50CYS     CA  695   2.604  -0.368  -0.212
+   50CYS     HA  696   2.696  -0.423  -0.197
+   50CYS     CB  697   2.571  -0.287  -0.083
+   50CYS    HB1  698   2.551  -0.358   0.000
+   50CYS    HB2  699   2.479  -0.228  -0.100
+   50CYS     SG  700   2.707  -0.178  -0.035
+   50CYS      C  701   2.494  -0.469  -0.231
+   50CYS      O  702   2.489  -0.572  -0.164
+   51TYR      N  703   2.405  -0.443  -0.329
+   51TYR     HN  704   2.413  -0.361  -0.384
+   51TYR     CA  705   2.299  -0.531  -0.367
+   51TYR     HA  706   2.326  -0.634  -0.348
+   51TYR     CB  707   2.169  -0.493  -0.291
+   51TYR    HB1  708   2.141  -0.388  -0.313
+   51TYR    HB2  709   2.188  -0.501  -0.182
+   51TYR     CG  710   2.053  -0.583  -0.325
+   51TYR    CD1  711   2.028  -0.699  -0.249
+   51TYR    HD1  712   2.096  -0.726  -0.170
+   51TYR    CE1  713   1.916  -0.778  -0.275
+   51TYR    HE1  714   1.898  -0.866  -0.215
+   51TYR     CZ  715   1.826  -0.742  -0.375
+   51TYR     OH  716   1.707  -0.816  -0.394
+   51TYR     HH  717   1.654  -0.774  -0.463
+   51TYR    CD2  718   1.963  -0.550  -0.428
+   51TYR    HD2  719   1.983  -0.463  -0.489
+   51TYR    CE2  720   1.850  -0.628  -0.453
+   51TYR    HE2  721   1.781  -0.603  -0.532
+   51TYR      C  722   2.286  -0.515  -0.517
+   51TYR      O  723   2.274  -0.402  -0.567
+   52ASP      N  724   2.289  -0.624  -0.594
+   52ASP     HN  725   2.297  -0.716  -0.554
+   52ASP     CA  726   2.274  -0.619  -0.738
+   52ASP     HA  727   2.208  -0.536  -0.762
+   52ASP     CB  728   2.410  -0.605  -0.812
+   52ASP    HB1  729   2.462  -0.703  -0.818
+   52ASP    HB2  730   2.476  -0.538  -0.753
+   52ASP     CG  731   2.399  -0.545  -0.951
+   52ASP    OD1  732   2.283  -0.513  -0.995
+   52ASP    OD2  733   2.500  -0.526  -1.018
+   52ASP      C  734   2.200  -0.747  -0.775
+   52ASP      O  735   2.226  -0.855  -0.722
+   53GLY      N  736   2.102  -0.739  -0.867
+   53GLY     HN  737   2.092  -0.654  -0.919
+   53GLY     CA  738   2.007  -0.848  -0.888
+   53GLY    HA1  739   2.062  -0.938  -0.911
+   53GLY    HA2  740   1.941  -0.819  -0.969
+   53GLY      C  741   1.921  -0.877  -0.768
+   53GLY      O  742   1.852  -0.787  -0.717
+   54ASN      N  743   1.920  -1.003  -0.720
+   54ASN     HN  744   1.971  -1.077  -0.764
+   54ASN     CA  745   1.845  -1.046  -0.603
+   54ASN     HA  746   1.794  -0.961  -0.562
+   54ASN     CB  747   1.736  -1.151  -0.638
+   54ASN    HB1  748   1.657  -1.099  -0.696
+   54ASN    HB2  749   1.690  -1.190  -0.545
+   54ASN     CG  750   1.783  -1.270  -0.720
+   54ASN    OD1  751   1.903  -1.287  -0.751
+   54ASN    ND2  752   1.688  -1.354  -0.764
+   54ASN   HD21  753   1.591  -1.338  -0.742
+   54ASN   HD22  754   1.715  -1.440  -0.805
+   54ASN      C  755   1.938  -1.092  -0.491
+   54ASN      O  756   1.898  -1.164  -0.400
+   55THR      N  757   2.065  -1.050  -0.495
+   55THR     HN  758   2.096  -0.987  -0.567
+   55THR     CA  759   2.167  -1.095  -0.402
+   55THR     HA  760   2.119  -1.139  -0.316
+   55THR     CB  761   2.264  -1.199  -0.460
+   55THR     HB  762   2.356  -1.210  -0.398
+   55THR    OG1  763   2.299  -1.168  -0.594
+   55THR    HG1  764   2.338  -1.079  -0.594
+   55THR    CG2  765   2.192  -1.335  -0.460
+   55THR   HG21  766   2.104  -1.334  -0.527
+   55THR   HG22  767   2.157  -1.361  -0.358
+   55THR   HG23  768   2.260  -1.416  -0.495
+   55THR      C  769   2.247  -0.980  -0.348
+   55THR      O  770   2.267  -0.877  -0.412
+   56TRP      N  771   2.298  -0.996  -0.225
+   56TRP     HN  772   2.282  -1.079  -0.174
+   56TRP     CA  773   2.385  -0.899  -0.162
+   56TRP     HA  774   2.362  -0.800  -0.199
+   56TRP     CB  775   2.372  -0.900  -0.007
+   56TRP    HB1  776   2.447  -0.832   0.038
+   56TRP    HB2  777   2.393  -1.002   0.031
+   56TRP     CG  778   2.237  -0.857   0.043
+   56TRP    CD1  779   2.128  -0.936   0.067
+   56TRP    HD1  780   2.122  -1.042   0.047
+   56TRP    NE1  781   2.026  -0.859   0.120
+   56TRP    HE1  782   1.936  -0.888   0.142
+   56TRP    CE2  783   2.070  -0.730   0.132
+   56TRP    CD2  784   2.202  -0.724   0.084
+   56TRP    CE3  785   2.271  -0.603   0.086
+   56TRP    HE3  786   2.373  -0.595   0.052
+   56TRP    CZ3  787   2.205  -0.489   0.134
+   56TRP    HZ3  788   2.257  -0.394   0.137
+   56TRP    CZ2  789   2.006  -0.618   0.184
+   56TRP    HZ2  790   1.906  -0.625   0.222
+   56TRP    CH2  791   2.076  -0.497   0.184
+   56TRP    HH2  792   2.029  -0.408   0.224
+   56TRP      C  793   2.530  -0.927  -0.196
+   56TRP      O  794   2.570  -1.039  -0.225
+   57SER      N  795   2.614  -0.822  -0.189
+   57SER     HN  796   2.577  -0.731  -0.170
+   57SER     CA  797   2.759  -0.836  -0.192
+   57SER     HA  798   2.785  -0.901  -0.273
+   57SER     CB  799   2.829  -0.699  -0.213
+   57SER    HB1  800   2.798  -0.630  -0.131
+   57SER    HB2  801   2.793  -0.655  -0.309
+   57SER     OG  802   2.971  -0.711  -0.215
+   57SER    HG1  803   2.993  -0.761  -0.295
+   57SER      C  804   2.811  -0.899  -0.064
+   57SER      O  805   2.783  -0.852   0.046
+   58SER      N  806   2.889  -1.007  -0.073
+   58SER     HN  807   2.920  -1.045  -0.160
+   58SER     CA  808   2.932  -1.080   0.045
+   58SER     HA  809   2.850  -1.084   0.116
+   58SER     CB  810   2.969  -1.227   0.010
+   58SER    HB1  811   2.877  -1.277  -0.026
+   58SER    HB2  812   3.003  -1.281   0.102
+   58SER     OG  813   3.069  -1.236  -0.092
+   58SER    HG1  814   3.093  -1.329  -0.093
+   58SER      C  815   3.048  -1.015   0.118
+   58SER      O  816   3.070  -1.036   0.237
+   59THR      N  817   3.124  -0.928   0.048
+   59THR     HN  818   3.107  -0.912  -0.049
+   59THR     CA  819   3.240  -0.861   0.105
+   59THR     HA  820   3.281  -0.920   0.186
+   59THR     CB  821   3.350  -0.839   0.001
+   59THR     HB  822   3.431  -0.775   0.041
+   59THR    OG1  823   3.295  -0.782  -0.118
+   59THR    HG1  824   3.366  -0.741  -0.168
+   59THR    CG2  825   3.411  -0.975  -0.037
+   59THR   HG21  826   3.333  -1.042  -0.082
+   59THR   HG22  827   3.451  -1.025   0.054
+   59THR   HG23  828   3.493  -0.962  -0.110
+   59THR      C  829   3.205  -0.725   0.163
+   59THR      O  830   3.271  -0.676   0.254
+   60LEU      N  831   3.098  -0.660   0.112
+   60LEU     HN  832   3.053  -0.695   0.030
+   60LEU     CA  833   3.050  -0.535   0.168
+   60LEU     HA  834   3.130  -0.484   0.219
+   60LEU     CB  835   2.992  -0.442   0.058
+   60LEU    HB1  836   2.942  -0.353   0.104
+   60LEU    HB2  837   2.915  -0.498   0.001
+   60LEU     CG  838   3.098  -0.388  -0.041
+   60LEU     HG  839   3.159  -0.475  -0.077
+   60LEU    CD1  840   3.030  -0.326  -0.164
+   60LEU   HD11  841   2.968  -0.238  -0.134
+   60LEU   HD12  842   2.963  -0.400  -0.213
+   60LEU   HD13  843   3.105  -0.292  -0.238
+   60LEU    CD2  844   3.191  -0.286   0.026
+   60LEU   HD21  845   3.244  -0.331   0.113
+   60LEU   HD22  846   3.132  -0.199   0.063
+   60LEU   HD23  847   3.267  -0.250  -0.045
+   60LEU      C  848   2.942  -0.558   0.271
+   60LEU      O  849   2.922  -0.476   0.360
+   61CYS      N  850   2.874  -0.675   0.264
+   61CYS     HN  851   2.893  -0.741   0.192
+   61CYS     CA  852   2.765  -0.710   0.353
+   61CYS     HA  853   2.767  -0.647   0.440
+   61CYS     CB  854   2.628  -0.690   0.283
+   61CYS    HB1  855   2.546  -0.724   0.350
+   61CYS    HB2  856   2.621  -0.753   0.191
+   61CYS     SG  857   2.603  -0.516   0.238
+   61CYS      C  858   2.780  -0.853   0.402
+   61CYS      O  859   2.703  -0.942   0.361
+   62PRO      N  860   2.875  -0.885   0.489
+   62PRO     CD  861   2.985  -0.797   0.531
+   62PRO    HD1  862   2.947  -0.698   0.565
+   62PRO    HD2  863   3.055  -0.784   0.445
+   62PRO     CA  864   2.884  -1.016   0.552
+   62PRO     HA  865   2.868  -1.093   0.477
+   62PRO     CB  866   3.026  -1.018   0.610
+   62PRO    HB1  867   3.096  -1.052   0.529
+   62PRO    HB2  868   3.038  -1.086   0.697
+   62PRO     CG  869   3.056  -0.872   0.644
+   62PRO    HG1  870   3.011  -0.846   0.742
+   62PRO    HG2  871   3.165  -0.851   0.647
+   62PRO      C  872   2.777  -1.035   0.660
+   62PRO      O  873   2.736  -1.147   0.686
+   63ASP      N  874   2.740  -0.926   0.730
+   63ASP     HN  875   2.781  -0.838   0.711
+   63ASP     CA  876   2.642  -0.925   0.836
+   63ASP     HA  877   2.570  -1.005   0.818
+   63ASP     CB  878   2.708  -0.944   0.976
+   63ASP    HB1  879   2.753  -1.045   0.980
+   63ASP    HB2  880   2.630  -0.941   1.055
+   63ASP     CG  881   2.816  -0.842   1.007
+   63ASP    OD1  882   2.935  -0.876   1.005
+   63ASP    OD2  883   2.782  -0.720   1.031
+   63ASP      C  884   2.563  -0.796   0.828
+   63ASP      O  885   2.601  -0.701   0.758
+   64ASN      N  886   2.449  -0.792   0.898
+   64ASN     HN  887   2.422  -0.871   0.955
+   64ASN     CA  888   2.355  -0.681   0.896
+   64ASN     HA  889   2.323  -0.668   0.793
+   64ASN     CB  890   2.232  -0.714   0.984
+   64ASN    HB1  891   2.162  -0.628   0.988
+   64ASN    HB2  892   2.265  -0.738   1.087
+   64ASN     CG  893   2.153  -0.831   0.927
+   64ASN    OD1  894   2.163  -0.867   0.810
+   64ASN    ND2  895   2.068  -0.892   1.013
+   64ASN   HD21  896   2.017  -0.970   0.979
+   64ASN   HD22  897   2.076  -0.874   1.111
+   64ASN      C  898   2.412  -0.548   0.941
+   64ASN      O  899   2.389  -0.444   0.876
+   65GLU      N  900   2.489  -0.544   1.051
+   65GLU     HN  901   2.510  -0.629   1.102
+   65GLU     CA  902   2.555  -0.424   1.097
+   65GLU     HA  903   2.480  -0.346   1.103
+   65GLU     CB  904   2.618  -0.439   1.238
+   65GLU    HB1  905   2.690  -0.356   1.251
+   65GLU    HB2  906   2.678  -0.533   1.245
+   65GLU     CG  907   2.519  -0.429   1.356
+   65GLU    HG1  908   2.479  -0.530   1.380
+   65GLU    HG2  909   2.433  -0.364   1.329
+   65GLU     CD  910   2.586  -0.370   1.480
+   65GLU    OE1  911   2.639  -0.252   1.461
+   65GLU    OE2  912   2.595  -0.430   1.585
+   65GLU      C  913   2.662  -0.373   1.004
+   65GLU      O  914   2.668  -0.252   0.974
+   66THR      N  915   2.751  -0.460   0.956
+   66THR     HN  916   2.746  -0.558   0.984
+   66THR     CA  917   2.862  -0.424   0.868
+   66THR     HA  918   2.915  -0.343   0.916
+   66THR     CB  919   2.961  -0.538   0.847
+   66THR     HB  920   2.908  -0.627   0.807
+   66THR    OG1  921   3.019  -0.571   0.972
+   66THR    HG1  922   2.958  -0.640   1.008
+   66THR    CG2  923   3.075  -0.498   0.752
+   66THR   HG21  924   3.124  -0.404   0.786
+   66THR   HG22  925   3.038  -0.483   0.649
+   66THR   HG23  926   3.151  -0.579   0.749
+   66THR      C  927   2.814  -0.367   0.737
+   66THR      O  928   2.866  -0.265   0.689
+   67CYS      N  929   2.710  -0.427   0.679
+   67CYS     HN  930   2.670  -0.509   0.722
+   67CYS     CA  931   2.645  -0.380   0.558
+   67CYS     HA  932   2.718  -0.382   0.478
+   67CYS     CB  933   2.529  -0.477   0.527
+   67CYS    HB1  934   2.452  -0.468   0.606
+   67CYS    HB2  935   2.568  -0.581   0.535
+   67CYS     SG  936   2.455  -0.458   0.362
+   67CYS      C  937   2.590  -0.239   0.568
+   67CYS      O  938   2.612  -0.155   0.481
+   68ALA      N  939   2.520  -0.206   0.678
+   68ALA     HN  940   2.504  -0.274   0.749
+   68ALA     CA  941   2.465  -0.073   0.700
+   68ALA     HA  942   2.401  -0.049   0.617
+   68ALA     CB  943   2.383  -0.074   0.830
+   68ALA    HB1  944   2.445  -0.100   0.918
+   68ALA    HB2  945   2.303  -0.150   0.820
+   68ALA    HB3  946   2.335   0.024   0.847
+   68ALA      C  947   2.570   0.037   0.710
+   68ALA      O  948   2.552   0.148   0.657
+   69LYS      N  949   2.681   0.008   0.779
+   69LYS     HN  950   2.689  -0.083   0.820
+   69LYS     CA  951   2.797   0.095   0.791
+   69LYS     HA  952   2.761   0.191   0.826
+   69LYS     CB  953   2.899   0.039   0.894
+   69LYS    HB1  954   2.988   0.106   0.897
+   69LYS    HB2  955   2.933  -0.061   0.857
+   69LYS     CG  956   2.841   0.024   1.036
+   69LYS    HG1  957   2.749  -0.038   1.029
+   69LYS    HG2  958   2.809   0.124   1.074
+   69LYS     CD  959   2.938  -0.042   1.136
+   69LYS    HD1  960   2.998   0.034   1.189
+   69LYS    HD2  961   3.010  -0.102   1.075
+   69LYS     CE  962   2.874  -0.139   1.237
+   69LYS    HE1  963   2.951  -0.183   1.304
+   69LYS    HE2  964   2.827  -0.222   1.180
+   69LYS     NZ  965   2.769  -0.076   1.322
+   69LYS    HZ1  966   2.693  -0.037   1.263
+   69LYS    HZ2  967   2.805  -0.003   1.386
+   69LYS    HZ3  968   2.723  -0.150   1.384
+   69LYS      C  969   2.868   0.122   0.659
+   69LYS      O  970   2.914   0.234   0.632
+   70ASN      N  971   2.880   0.019   0.573
+   70ASN     HN  972   2.842  -0.071   0.598
+   70ASN     CA  973   2.956   0.024   0.450
+   70ASN     HA  974   3.041   0.089   0.462
+   70ASN     CB  975   3.002  -0.119   0.410
+   70ASN    HB1  976   3.044  -0.119   0.307
+   70ASN    HB2  977   2.916  -0.189   0.414
+   70ASN     CG  978   3.112  -0.173   0.502
+   70ASN    OD1  979   3.163  -0.109   0.595
+   70ASN    ND2  980   3.153  -0.298   0.472
+   70ASN   HD21  981   3.099  -0.353   0.410
+   70ASN   HD22  982   3.232  -0.334   0.523
+   70ASN      C  983   2.876   0.077   0.332
+   70ASN      O  984   2.934   0.109   0.228
+   71CYS      N  985   2.742   0.086   0.343
+   71CYS     HN  986   2.697   0.062   0.428
+   71CYS     CA  987   2.656   0.108   0.228
+   71CYS     HA  988   2.717   0.134   0.142
+   71CYS     CB  989   2.575  -0.020   0.190
+   71CYS    HB1  990   2.516  -0.002   0.099
+   71CYS    HB2  991   2.505  -0.043   0.273
+   71CYS     SG  992   2.684  -0.164   0.165
+   71CYS      C  993   2.561   0.223   0.248
+   71CYS      O  994   2.530   0.270   0.359
+   72CYS      N  995   2.511   0.277   0.137
+   72CYS     HN  996   2.537   0.242   0.046
+   72CYS     CA  997   2.427   0.393   0.137
+   72CYS     HA  998   2.374   0.400   0.230
+   72CYS     CB  999   2.509   0.522   0.114
+   72CYS    HB1 1000   2.574   0.537   0.203
+   72CYS    HB2 1001   2.441   0.610   0.108
+   72CYS     SG 1002   2.617   0.518  -0.032
+   72CYS      C 1003   2.321   0.380   0.030
+   72CYS      O 1004   2.333   0.301  -0.063
+   73LEU      N 1005   2.213   0.458   0.047
+   73LEU     HN 1006   2.206   0.518   0.126
+   73LEU     CA 1007   2.108   0.473  -0.051
+   73LEU     HA 1008   2.110   0.390  -0.121
+   73LEU     CB 1009   1.969   0.484   0.016
+   73LEU    HB1 1010   1.891   0.498  -0.062
+   73LEU    HB2 1011   1.968   0.574   0.082
+   73LEU     CG 1012   1.930   0.362   0.102
+   73LEU     HG 1013   2.013   0.340   0.174
+   73LEU    CD1 1014   1.805   0.394   0.185
+   73LEU   HD11 1015   1.719   0.417   0.119
+   73LEU   HD12 1016   1.822   0.482   0.251
+   73LEU   HD13 1017   1.777   0.307   0.248
+   73LEU    CD2 1018   1.907   0.236   0.016
+   73LEU   HD21 1019   1.999   0.209  -0.039
+   73LEU   HD22 1020   1.826   0.253  -0.057
+   73LEU   HD23 1021   1.878   0.150   0.080
+   73LEU      C 1022   2.137   0.600  -0.128
+   73LEU      O 1023   2.188   0.697  -0.072
+   74ASP      N 1024   2.103   0.602  -0.258
+   74ASP     HN 1025   2.062   0.523  -0.302
+   74ASP     CA 1026   2.131   0.716  -0.343
+   74ASP     HA 1027   2.161   0.800  -0.282
+   74ASP     CB 1028   2.248   0.684  -0.442
+   74ASP    HB1 1029   2.212   0.631  -0.532
+   74ASP    HB2 1030   2.320   0.617  -0.390
+   74ASP     CG 1031   2.325   0.810  -0.483
+   74ASP    OD1 1032   2.259   0.899  -0.546
+   74ASP    OD2 1033   2.445   0.826  -0.456
+   74ASP      C 1034   2.000   0.757  -0.410
+   74ASP      O 1035   1.897   0.689  -0.401
+   75GLY      N 1036   2.001   0.877  -0.471
+   75GLY     HN 1037   2.092   0.919  -0.481
+   75GLY     CA 1038   1.890   0.943  -0.537
+   75GLY    HA1 1039   1.930   1.031  -0.585
+   75GLY    HA2 1040   1.818   0.967  -0.461
+   75GLY      C 1041   1.818   0.865  -0.644
+   75GLY      O 1042   1.864   0.765  -0.696
+   76ALA      N 1043   1.698   0.915  -0.679
+   76ALA     HN 1044   1.663   0.997  -0.634
+   76ALA     CA 1045   1.609   0.850  -0.771
+   76ALA     HA 1046   1.658   0.765  -0.817
+   76ALA     CB 1047   1.485   0.800  -0.693
+   76ALA    HB1 1048   1.439   0.885  -0.637
+   76ALA    HB2 1049   1.515   0.723  -0.619
+   76ALA    HB3 1050   1.409   0.756  -0.760
+   76ALA      C 1051   1.567   0.944  -0.883
+   76ALA      O 1052   1.528   1.059  -0.863
+   77ALA      N 1053   1.573   0.897  -1.009
+   77ALA     HN 1054   1.607   0.805  -1.027
+   77ALA     CA 1055   1.521   0.971  -1.121
+   77ALA     HA 1056   1.521   1.077  -1.099
+   77ALA     CB 1057   1.603   0.949  -1.250
+   77ALA    HB1 1058   1.612   0.841  -1.273
+   77ALA    HB2 1059   1.704   0.992  -1.236
+   77ALA    HB3 1060   1.555   1.001  -1.335
+   77ALA      C 1061   1.377   0.928  -1.143
+   77ALA      O 1062   1.347   0.835  -1.218
+   78TYR      N 1063   1.283   0.997  -1.076
+   78TYR     HN 1064   1.312   1.069  -1.014
+   78TYR     CA 1065   1.145   0.956  -1.066
+   78TYR     HA 1066   1.141   0.860  -1.015
+   78TYR     CB 1067   1.064   1.060  -0.985
+   78TYR    HB1 1068   0.954   1.046  -0.996
+   78TYR    HB2 1069   1.088   1.163  -1.019
+   78TYR     CG 1070   1.097   1.048  -0.839
+   78TYR    CD1 1071   1.212   1.109  -0.785
+   78TYR    HD1 1072   1.280   1.165  -0.847
+   78TYR    CE1 1073   1.243   1.094  -0.649
+   78TYR    HE1 1074   1.333   1.138  -0.609
+   78TYR     CZ 1075   1.157   1.024  -0.565
+   78TYR     OH 1076   1.188   1.007  -0.428
+   78TYR     HH 1077   1.270   1.057  -0.407
+   78TYR    CD2 1078   1.010   0.979  -0.753
+   78TYR    HD2 1079   0.921   0.933  -0.792
+   78TYR    CE2 1080   1.039   0.968  -0.617
+   78TYR    HE2 1081   0.971   0.915  -0.551
+   78TYR      C 1082   1.075   0.935  -1.199
+   78TYR      O 1083   1.010   0.832  -1.221
+   79ALA      N 1084   1.089   1.029  -1.293
+   79ALA     HN 1085   1.146   1.109  -1.275
+   79ALA     CA 1086   1.014   1.023  -1.416
+   79ALA     HA 1087   0.913   0.992  -1.393
+   79ALA     CB 1088   1.010   1.164  -1.478
+   79ALA    HB1 1089   1.110   1.195  -1.516
+   79ALA    HB2 1090   0.978   1.238  -1.403
+   79ALA    HB3 1091   0.937   1.166  -1.561
+   79ALA      C 1092   1.069   0.924  -1.516
+   79ALA      O 1093   0.995   0.849  -1.580
+   80SER      N 1094   1.202   0.920  -1.534
+   80SER     HN 1095   1.263   0.975  -1.477
+   80SER     CA 1096   1.263   0.843  -1.641
+   80SER     HA 1097   1.194   0.837  -1.725
+   80SER     CB 1098   1.394   0.908  -1.692
+   80SER    HB1 1099   1.367   1.003  -1.741
+   80SER    HB2 1100   1.444   0.844  -1.768
+   80SER     OG 1101   1.483   0.937  -1.584
+   80SER    HG1 1102   1.506   0.853  -1.542
+   80SER      C 1103   1.295   0.700  -1.604
+   80SER      O 1104   1.314   0.617  -1.692
+   81THR      N 1105   1.302   0.669  -1.474
+   81THR     HN 1106   1.293   0.738  -1.403
+   81THR     CA 1107   1.339   0.535  -1.430
+   81THR     HA 1108   1.367   0.472  -1.513
+   81THR     CB 1109   1.453   0.536  -1.330
+   81THR     HB 1110   1.428   0.600  -1.242
+   81THR    OG1 1111   1.569   0.591  -1.393
+   81THR    HG1 1112   1.598   0.521  -1.451
+   81THR    CG2 1113   1.490   0.396  -1.280
+   81THR   HG21 1114   1.517   0.329  -1.365
+   81THR   HG22 1115   1.407   0.349  -1.224
+   81THR   HG23 1116   1.576   0.401  -1.210
+   81THR      C 1117   1.221   0.468  -1.365
+   81THR      O 1118   1.196   0.351  -1.388
+   82TYR      N 1119   1.146   0.543  -1.282
+   82TYR     HN 1120   1.166   0.638  -1.263
+   82TYR     CA 1121   1.043   0.482  -1.199
+   82TYR     HA 1122   1.054   0.375  -1.199
+   82TYR     CB 1123   1.057   0.532  -1.052
+   82TYR    HB1 1124   0.980   0.484  -0.988
+   82TYR    HB2 1125   1.045   0.642  -1.045
+   82TYR     CG 1126   1.193   0.492  -1.000
+   82TYR    CD1 1127   1.219   0.358  -0.970
+   82TYR    HD1 1128   1.139   0.286  -0.981
+   82TYR    CE1 1129   1.345   0.316  -0.926
+   82TYR    HE1 1130   1.364   0.212  -0.905
+   82TYR     CZ 1131   1.448   0.410  -0.911
+   82TYR     OH 1132   1.575   0.369  -0.867
+   82TYR     HH 1133   1.566   0.276  -0.840
+   82TYR    CD2 1134   1.297   0.586  -0.983
+   82TYR    HD2 1135   1.278   0.690  -1.005
+   82TYR    CE2 1136   1.424   0.545  -0.940
+   82TYR    HE2 1137   1.503   0.616  -0.928
+   82TYR      C 1138   0.904   0.510  -1.250
+   82TYR      O 1139   0.806   0.454  -1.198
+   83GLY      N 1140   0.888   0.594  -1.354
+   83GLY     HN 1141   0.968   0.638  -1.393
+   83GLY     CA 1142   0.758   0.624  -1.415
+   83GLY    HA1 1143   0.709   0.530  -1.439
+   83GLY    HA2 1144   0.776   0.685  -1.502
+   83GLY      C 1145   0.666   0.701  -1.325
+   83GLY      O 1146   0.543   0.691  -1.334
+   84VAL      N 1147   0.723   0.783  -1.236
+   84VAL     HN 1148   0.823   0.788  -1.232
+   84VAL     CA 1149   0.650   0.859  -1.138
+   84VAL     HA 1150   0.547   0.827  -1.134
+   84VAL     CB 1151   0.710   0.845  -0.998
+   84VAL     HB 1152   0.819   0.869  -1.002
+   84VAL    CG1 1153   0.641   0.938  -0.896
+   84VAL   HG11 1154   0.531   0.920  -0.897
+   84VAL   HG12 1155   0.660   1.045  -0.919
+   84VAL   HG13 1156   0.678   0.918  -0.794
+   84VAL    CG2 1157   0.695   0.698  -0.953
+   84VAL   HG21 1158   0.748   0.629  -1.022
+   84VAL   HG22 1159   0.588   0.668  -0.951
+   84VAL   HG23 1160   0.737   0.683  -0.852
+   84VAL      C 1161   0.652   1.004  -1.181
+   84VAL      O 1162   0.756   1.063  -1.211
+   85THR      N 1163   0.533   1.066  -1.187
+   85THR     HN 1164   0.449   1.018  -1.160
+   85THR     CA 1165   0.521   1.204  -1.230
+   85THR     HA 1166   0.611   1.257  -1.206
+   85THR     CB 1167   0.489   1.224  -1.379
+   85THR     HB 1168   0.458   1.329  -1.398
+   85THR    OG1 1169   0.386   1.139  -1.425
+   85THR    HG1 1170   0.409   1.051  -1.392
+   85THR    CG2 1171   0.614   1.197  -1.465
+   85THR   HG21 1172   0.646   1.091  -1.456
+   85THR   HG22 1173   0.698   1.262  -1.434
+   85THR   HG23 1174   0.591   1.216  -1.572
+   85THR      C 1175   0.411   1.269  -1.150
+   85THR      O 1176   0.318   1.204  -1.103
+   86THR      N 1177   0.421   1.401  -1.131
+   86THR     HN 1178   0.496   1.454  -1.168
+   86THR     CA 1179   0.321   1.478  -1.059
+   86THR     HA 1180   0.230   1.420  -1.052
+   86THR     CB 1181   0.359   1.525  -0.919
+   86THR     HB 1182   0.279   1.588  -0.874
+   86THR    OG1 1183   0.481   1.600  -0.915
+   86THR    HG1 1184   0.485   1.629  -0.822
+   86THR    CG2 1185   0.375   1.402  -0.827
+   86THR   HG21 1186   0.453   1.332  -0.865
+   86THR   HG22 1187   0.279   1.347  -0.822
+   86THR   HG23 1188   0.402   1.433  -0.724
+   86THR      C 1189   0.288   1.600  -1.142
+   86THR      O 1190   0.360   1.638  -1.234
+   87SER      N 1191   0.174   1.663  -1.109
+   87SER     HN 1192   0.117   1.625  -1.036
+   87SER     CA 1193   0.130   1.785  -1.175
+   87SER     HA 1194   0.211   1.855  -1.177
+   87SER     CB 1195   0.074   1.762  -1.318
+   87SER    HB1 1196  -0.013   1.693  -1.316
+   87SER    HB2 1197   0.153   1.714  -1.379
+   87SER     OG 1198   0.037   1.885  -1.383
+   87SER    HG1 1199  -0.032   1.927  -1.330
+   87SER      C 1200   0.020   1.842  -1.089
+   87SER      O 1201  -0.095   1.795  -1.092
+   88GLY      N 1202   0.049   1.945  -1.009
+   88GLY     HN 1203   0.142   1.985  -1.012
+   88GLY     CA 1204  -0.045   2.001  -0.913
+   88GLY    HA1 1205  -0.135   2.028  -0.967
+   88GLY    HA2 1206   0.002   2.087  -0.867
+   88GLY      C 1207  -0.083   1.907  -0.801
+   88GLY      O 1208  -0.000   1.865  -0.721
+   89ASN      N 1209  -0.212   1.870  -0.795
+   89ASN     HN 1210  -0.278   1.897  -0.865
+   89ASN     CA 1211  -0.267   1.782  -0.693
+   89ASN     HA 1212  -0.199   1.778  -0.609
+   89ASN     CB 1213  -0.404   1.836  -0.641
+   89ASN    HB1 1214  -0.386   1.935  -0.595
+   89ASN    HB2 1215  -0.442   1.767  -0.563
+   89ASN     CG 1216  -0.510   1.853  -0.751
+   89ASN    OD1 1217  -0.484   1.845  -0.871
+   89ASN    ND2 1218  -0.635   1.882  -0.709
+   89ASN   HD21 1219  -0.707   1.879  -0.778
+   89ASN   HD22 1220  -0.655   1.893  -0.612
+   89ASN      C 1221  -0.282   1.640  -0.746
+   89ASN      O 1222  -0.355   1.560  -0.691
+   90SER      N 1223  -0.214   1.609  -0.859
+   90SER     HN 1224  -0.156   1.678  -0.902
+   90SER     CA 1225  -0.223   1.481  -0.928
+   90SER     HA 1226  -0.293   1.417  -0.876
+   90SER     CB 1227  -0.269   1.498  -1.075
+   90SER    HB1 1228  -0.194   1.557  -1.132
+   90SER    HB2 1229  -0.364   1.557  -1.074
+   90SER     OG 1230  -0.296   1.375  -1.142
+   90SER    HG1 1231  -0.213   1.325  -1.148
+   90SER      C 1232  -0.089   1.410  -0.927
+   90SER      O 1233   0.016   1.473  -0.942
+   91LEU      N 1234  -0.094   1.277  -0.912
+   91LEU     HN 1235  -0.183   1.231  -0.900
+   91LEU     CA 1236   0.019   1.186  -0.910
+   91LEU     HA 1237   0.108   1.235  -0.946
+   91LEU     CB 1238   0.040   1.129  -0.767
+   91LEU    HB1 1239  -0.060   1.095  -0.731
+   91LEU    HB2 1240   0.072   1.212  -0.701
+   91LEU     CG 1241   0.138   1.011  -0.752
+   91LEU     HG 1242   0.109   0.929  -0.823
+   91LEU    CD1 1243   0.283   1.050  -0.784
+   91LEU   HD11 1244   0.320   1.126  -0.711
+   91LEU   HD12 1245   0.292   1.091  -0.886
+   91LEU   HD13 1246   0.348   0.961  -0.778
+   91LEU    CD2 1247   0.129   0.951  -0.611
+   91LEU   HD21 1248   0.026   0.915  -0.591
+   91LEU   HD22 1249   0.156   1.027  -0.535
+   91LEU   HD23 1250   0.198   0.864  -0.601
+   91LEU      C 1251  -0.013   1.072  -1.005
+   91LEU      O 1252  -0.120   1.011  -0.996
+   92SER      N 1253   0.077   1.041  -1.099
+   92SER     HN 1254   0.164   1.090  -1.106
+   92SER     CA 1255   0.060   0.928  -1.191
+   92SER     HA 1256  -0.029   0.872  -1.165
+   92SER     CB 1257   0.052   0.969  -1.340
+   92SER    HB1 1258   0.046   0.877  -1.404
+   92SER    HB2 1259   0.144   1.025  -1.368
+   92SER     OG 1260  -0.063   1.050  -1.367
+   92SER    HG1 1261  -0.141   0.997  -1.344
+   92SER      C 1262   0.178   0.836  -1.172
+   92SER      O 1263   0.291   0.880  -1.157
+   93ILE      N 1264   0.150   0.703  -1.170
+   93ILE     HN 1265   0.057   0.669  -1.182
+   93ILE     CA 1266   0.252   0.600  -1.158
+   93ILE     HA 1267   0.351   0.643  -1.167
+   93ILE     CB 1268   0.243   0.520  -1.027
+   93ILE     HB 1269   0.150   0.457  -1.028
+   93ILE    CG2 1270   0.365   0.424  -1.018
+   93ILE   HG21 1271   0.460   0.482  -1.020
+   93ILE   HG22 1272   0.367   0.352  -1.102
+   93ILE   HG23 1273   0.362   0.365  -0.924
+   93ILE    CG1 1274   0.232   0.612  -0.902
+   93ILE   HG11 1275   0.147   0.683  -0.916
+   93ILE   HG12 1276   0.325   0.671  -0.892
+   93ILE     CD 1277   0.204   0.535  -0.772
+   93ILE    HD1 1278   0.290   0.470  -0.744
+   93ILE    HD2 1279   0.115   0.470  -0.783
+   93ILE    HD3 1280   0.185   0.605  -0.688
+   93ILE      C 1281   0.232   0.506  -1.276
+   93ILE      O 1282   0.123   0.448  -1.290
+   94ASP      N 1283   0.333   0.488  -1.362
+   94ASP     HN 1284   0.419   0.539  -1.351
+   94ASP     CA 1285   0.328   0.398  -1.475
+   94ASP     HA 1286   0.224   0.383  -1.504
+   94ASP     CB 1287   0.406   0.449  -1.600
+   94ASP    HB1 1288   0.412   0.368  -1.676
+   94ASP    HB2 1289   0.508   0.478  -1.570
+   94ASP     CG 1290   0.340   0.566  -1.673
+   94ASP    OD1 1291   0.232   0.616  -1.630
+   94ASP    OD2 1292   0.395   0.602  -1.780
+   94ASP      C 1293   0.382   0.260  -1.435
+   94ASP      O 1294   0.479   0.248  -1.362
+   95PHE      N 1295   0.313   0.152  -1.479
+   95PHE     HN 1296   0.234   0.164  -1.540
+   95PHE     CA 1297   0.341   0.016  -1.437
+   95PHE     HA 1298   0.337   0.015  -1.328
+   95PHE     CB 1299   0.229  -0.075  -1.493
+   95PHE    HB1 1300   0.231  -0.069  -1.604
+   95PHE    HB2 1301   0.130  -0.039  -1.458
+   95PHE     CG 1302   0.240  -0.220  -1.452
+   95PHE    CD1 1303   0.259  -0.256  -1.318
+   95PHE    HD1 1304   0.270  -0.181  -1.242
+   95PHE    CE1 1305   0.265  -0.391  -1.281
+   95PHE    HE1 1306   0.282  -0.420  -1.178
+   95PHE     CZ 1307   0.249  -0.491  -1.378
+   95PHE     HZ 1308   0.254  -0.595  -1.350
+   95PHE    CD2 1309   0.224  -0.321  -1.548
+   95PHE    HD2 1310   0.209  -0.294  -1.652
+   95PHE    CE2 1311   0.228  -0.456  -1.512
+   95PHE    HE2 1312   0.214  -0.533  -1.586
+   95PHE      C 1313   0.479  -0.038  -1.472
+   95PHE      O 1314   0.549  -0.093  -1.388
+   96VAL      N 1315   0.523  -0.020  -1.599
+   96VAL     HN 1316   0.467   0.029  -1.665
+   96VAL     CA 1317   0.652  -0.068  -1.643
+   96VAL     HA 1318   0.710  -0.100  -1.558
+   96VAL     CB 1319   0.645  -0.187  -1.739
+   96VAL     HB 1320   0.584  -0.158  -1.828
+   96VAL    CG1 1321   0.786  -0.230  -1.786
+   96VAL   HG11 1322   0.850  -0.251  -1.698
+   96VAL   HG12 1323   0.834  -0.153  -1.849
+   96VAL   HG13 1324   0.778  -0.324  -1.845
+   96VAL    CG2 1325   0.577  -0.306  -1.668
+   96VAL   HG21 1326   0.473  -0.280  -1.639
+   96VAL   HG22 1327   0.632  -0.333  -1.576
+   96VAL   HG23 1328   0.573  -0.395  -1.734
+   96VAL      C 1329   0.726   0.049  -1.702
+   96VAL      O 1330   0.673   0.132  -1.779
+   97THR      N 1331   0.852   0.066  -1.664
+   97THR     HN 1332   0.892   0.000  -1.599
+   97THR     CA 1333   0.937   0.169  -1.718
+   97THR     HA 1334   0.892   0.211  -1.807
+   97THR     CB 1335   0.966   0.282  -1.620
+   97THR     HB 1336   1.021   0.242  -1.532
+   97THR    OG1 1337   0.846   0.342  -1.573
+   97THR    HG1 1338   0.773   0.307  -1.624
+   97THR    CG2 1339   1.045   0.398  -1.683
+   97THR   HG21 1340   0.989   0.441  -1.769
+   97THR   HG22 1341   1.146   0.366  -1.716
+   97THR   HG23 1342   1.058   0.478  -1.607
+   97THR      C 1343   1.064   0.100  -1.760
+   97THR      O 1344   1.114   0.012  -1.694
+   98GLN      N 1345   1.116   0.138  -1.880
+   98GLN     HN 1346   1.076   0.211  -1.933
+   98GLN     CA 1347   1.241   0.087  -1.930
+   98GLN     HA 1348   1.284   0.015  -1.861
+   98GLN     CB 1349   1.226   0.022  -2.070
+   98GLN    HB1 1350   1.327   0.005  -2.115
+   98GLN    HB2 1351   1.173   0.094  -2.136
+   98GLN     CG 1352   1.148  -0.112  -2.071
+   98GLN    HG1 1353   1.118  -0.134  -2.175
+   98GLN    HG2 1354   1.057  -0.104  -2.008
+   98GLN     CD 1355   1.231  -0.231  -2.020
+   98GLN    OE1 1356   1.347  -0.219  -1.978
+   98GLN    NE2 1357   1.173  -0.352  -2.026
+   98GLN   HE21 1358   1.224  -0.428  -1.986
+   98GLN   HE22 1359   1.077  -0.362  -2.052
+   98GLN      C 1360   1.336   0.203  -1.939
+   98GLN      O 1361   1.301   0.313  -1.983
+   99SER      N 1362   1.459   0.183  -1.892
+   99SER     HN 1363   1.484   0.092  -1.857
+   99SER     CA 1364   1.563   0.284  -1.892
+   99SER     HA 1365   1.553   0.345  -1.980
+   99SER     CB 1366   1.558   0.375  -1.766
+   99SER    HB1 1367   1.463   0.433  -1.769
+   99SER    HB2 1368   1.642   0.448  -1.768
+   99SER     OG 1369   1.563   0.301  -1.644
+   99SER    HG1 1370   1.486   0.242  -1.642
+   99SER      C 1371   1.693   0.209  -1.908
+   99SER      O 1372   1.708   0.134  -2.003
+  100ALA      N 1373   1.789   0.221  -1.814
+  100ALA     HN 1374   1.774   0.279  -1.735
+  100ALA     CA 1375   1.905   0.134  -1.812
+  100ALA     HA 1376   1.945   0.122  -1.912
+  100ALA     CB 1377   2.013   0.192  -1.718
+  100ALA    HB1 1378   1.975   0.199  -1.614
+  100ALA    HB2 1379   2.044   0.293  -1.752
+  100ALA    HB3 1380   2.103   0.126  -1.717
+  100ALA      C 1381   1.868  -0.006  -1.762
+  100ALA      O 1382   1.939  -0.103  -1.783
+  101GLN      N 1383   1.752  -0.014  -1.695
+  101GLN     HN 1384   1.698   0.068  -1.677
+  101GLN     CA 1385   1.693  -0.137  -1.652
+  101GLN     HA 1386   1.714  -0.212  -1.727
+  101GLN     CB 1387   1.750  -0.188  -1.516
+  101GLN    HB1 1388   1.847  -0.236  -1.540
+  101GLN    HB2 1389   1.683  -0.266  -1.474
+  101GLN     CG 1390   1.779  -0.081  -1.406
+  101GLN    HG1 1391   1.868  -0.022  -1.437
+  101GLN    HG2 1392   1.803  -0.130  -1.310
+  101GLN     CD 1393   1.668   0.021  -1.381
+  101GLN    OE1 1394   1.690   0.141  -1.390
+  101GLN    NE2 1395   1.546  -0.027  -1.344
+  101GLN   HE21 1396   1.473   0.038  -1.331
+  101GLN   HE22 1397   1.529  -0.125  -1.338
+  101GLN      C 1398   1.542  -0.126  -1.652
+  101GLN      O 1399   1.486  -0.014  -1.656
+  102LYS      N 1400   1.473  -0.240  -1.654
+  102LYS     HN 1401   1.522  -0.327  -1.666
+  102LYS     CA 1402   1.332  -0.252  -1.627
+  102LYS     HA 1403   1.282  -0.178  -1.687
+  102LYS     CB 1404   1.279  -0.391  -1.668
+  102LYS    HB1 1405   1.335  -0.469  -1.611
+  102LYS    HB2 1406   1.303  -0.405  -1.776
+  102LYS     CG 1407   1.128  -0.414  -1.647
+  102LYS    HG1 1408   1.070  -0.335  -1.698
+  102LYS    HG2 1409   1.105  -0.410  -1.538
+  102LYS     CD 1410   1.085  -0.552  -1.699
+  102LYS    HD1 1411   1.158  -0.627  -1.661
+  102LYS    HD2 1412   1.091  -0.551  -1.810
+  102LYS     CE 1413   0.944  -0.593  -1.656
+  102LYS    HE1 1414   0.865  -0.532  -1.705
+  102LYS    HE2 1415   0.933  -0.583  -1.546
+  102LYS     NZ 1416   0.922  -0.735  -1.690
+  102LYS    HZ1 1417   0.998  -0.791  -1.646
+  102LYS    HZ2 1418   0.914  -0.753  -1.791
+  102LYS    HZ3 1419   0.835  -0.770  -1.639
+  102LYS      C 1420   1.300  -0.221  -1.481
+  102LYS      O 1421   1.368  -0.264  -1.390
+  103ASN      N 1422   1.192  -0.143  -1.462
+  103ASN     HN 1423   1.143  -0.106  -1.541
+  103ASN     CA 1424   1.136  -0.112  -1.334
+  103ASN     HA 1425   1.184  -0.168  -1.255
+  103ASN     CB 1426   1.146   0.041  -1.308
+  103ASN    HB1 1427   1.109   0.096  -1.396
+  103ASN    HB2 1428   1.253   0.068  -1.292
+  103ASN     CG 1429   1.069   0.083  -1.183
+  103ASN    OD1 1430   1.118   0.057  -1.072
+  103ASN    ND2 1431   0.952   0.147  -1.199
+  103ASN   HD21 1432   0.895   0.164  -1.118
+  103ASN   HD22 1433   0.916   0.168  -1.290
+  103ASN      C 1434   0.992  -0.157  -1.340
+  103ASN      O 1435   0.929  -0.147  -1.446
+  104VAL      N 1436   0.938  -0.206  -1.227
+  104VAL     HN 1437   0.990  -0.216  -1.143
+  104VAL     CA 1438   0.798  -0.239  -1.214
+  104VAL     HA 1439   0.744  -0.208  -1.302
+  104VAL     CB 1440   0.775  -0.388  -1.194
+  104VAL     HB 1441   0.825  -0.424  -1.101
+  104VAL    CG1 1442   0.624  -0.418  -1.184
+  104VAL   HG11 1443   0.569  -0.379  -1.273
+  104VAL   HG12 1444   0.579  -0.374  -1.093
+  104VAL   HG13 1445   0.607  -0.528  -1.180
+  104VAL    CG2 1446   0.835  -0.462  -1.314
+  104VAL   HG21 1447   0.945  -0.449  -1.321
+  104VAL   HG22 1448   0.788  -0.428  -1.409
+  104VAL   HG23 1449   0.816  -0.571  -1.302
+  104VAL      C 1450   0.744  -0.159  -1.097
+  104VAL      O 1451   0.794  -0.167  -0.985
+  105GLY      N 1452   0.642  -0.075  -1.124
+  105GLY     HN 1453   0.608  -0.072  -1.218
+  105GLY     CA 1454   0.573   0.009  -1.026
+  105GLY    HA1 1455   0.520  -0.058  -0.961
+  105GLY    HA2 1456   0.508   0.075  -1.082
+  105GLY      C 1457   0.659   0.098  -0.938
+  105GLY      O 1458   0.773   0.130  -0.964
+  106ALA      N 1459   0.596   0.144  -0.827
+  106ALA     HN 1460   0.504   0.116  -0.805
+  106ALA     CA 1461   0.663   0.225  -0.729
+  106ALA     HA 1462   0.761   0.184  -0.710
+  106ALA     CB 1463   0.675   0.373  -0.773
+  106ALA    HB1 1464   0.575   0.417  -0.791
+  106ALA    HB2 1465   0.733   0.380  -0.867
+  106ALA    HB3 1466   0.727   0.434  -0.695
+  106ALA      C 1467   0.584   0.218  -0.601
+  106ALA      O 1468   0.465   0.185  -0.602
+  107ARG      N 1469   0.648   0.250  -0.488
+  107ARG     HN 1470   0.746   0.271  -0.488
+  107ARG     CA 1471   0.581   0.270  -0.362
+  107ARG     HA 1472   0.475   0.279  -0.377
+  107ARG     CB 1473   0.610   0.156  -0.262
+  107ARG    HB1 1474   0.719   0.145  -0.247
+  107ARG    HB2 1475   0.574   0.062  -0.309
+  107ARG     CG 1476   0.540   0.173  -0.125
+  107ARG    HG1 1477   0.433   0.201  -0.144
+  107ARG    HG2 1478   0.586   0.256  -0.068
+  107ARG     CD 1479   0.538   0.045  -0.039
+  107ARG    HD1 1480   0.483  -0.035  -0.094
+  107ARG    HD2 1481   0.485   0.066   0.057
+  107ARG     NE 1482   0.678   0.007  -0.007
+  107ARG     HE 1483   0.732   0.072   0.049
+  107ARG     CZ 1484   0.729  -0.117  -0.007
+  107ARG    NH1 1485   0.658  -0.220  -0.060
+  107ARG   HH11 1486   0.575  -0.202  -0.107
+  107ARG   HH12 1487   0.706  -0.308  -0.064
+  107ARG    NH2 1488   0.844  -0.143   0.036
+  107ARG   HH21 1489   0.910  -0.067   0.057
+  107ARG   HH22 1490   0.880  -0.236   0.025
+  107ARG      C 1491   0.633   0.403  -0.311
+  107ARG      O 1492   0.751   0.427  -0.302
+  108LEU      N 1493   0.537   0.496  -0.286
+  108LEU     HN 1494   0.440   0.474  -0.293
+  108LEU     CA 1495   0.566   0.635  -0.262
+  108LEU     HA 1496   0.673   0.650  -0.253
+  108LEU     CB 1497   0.507   0.724  -0.374
+  108LEU    HB1 1498   0.523   0.831  -0.351
+  108LEU    HB2 1499   0.397   0.705  -0.377
+  108LEU     CG 1500   0.562   0.695  -0.515
+  108LEU     HG 1501   0.561   0.585  -0.533
+  108LEU    CD1 1502   0.471   0.757  -0.622
+  108LEU   HD11 1503   0.469   0.868  -0.611
+  108LEU   HD12 1504   0.368   0.718  -0.611
+  108LEU   HD13 1505   0.507   0.732  -0.723
+  108LEU    CD2 1506   0.705   0.747  -0.531
+  108LEU   HD21 1507   0.771   0.698  -0.457
+  108LEU   HD22 1508   0.710   0.856  -0.516
+  108LEU   HD23 1509   0.744   0.723  -0.633
+  108LEU      C 1510   0.503   0.677  -0.131
+  108LEU      O 1511   0.393   0.633  -0.097
+  109TYR      N 1512   0.570   0.765  -0.056
+  109TYR     HN 1513   0.661   0.796  -0.085
+  109TYR     CA 1514   0.520   0.816   0.070
+  109TYR     HA 1515   0.425   0.771   0.094
+  109TYR     CB 1516   0.621   0.794   0.186
+  109TYR    HB1 1517   0.577   0.822   0.284
+  109TYR    HB2 1518   0.712   0.854   0.169
+  109TYR     CG 1519   0.660   0.649   0.192
+  109TYR    CD1 1520   0.562   0.552   0.214
+  109TYR    HD1 1521   0.460   0.584   0.229
+  109TYR    CE1 1522   0.594   0.416   0.208
+  109TYR    HE1 1523   0.517   0.341   0.222
+  109TYR     CZ 1524   0.726   0.376   0.183
+  109TYR     OH 1525   0.759   0.240   0.166
+  109TYR     HH 1526   0.857   0.230   0.167
+  109TYR    CD2 1527   0.793   0.609   0.173
+  109TYR    HD2 1528   0.871   0.682   0.159
+  109TYR    CE2 1529   0.826   0.472   0.169
+  109TYR    HE2 1530   0.928   0.442   0.152
+  109TYR      C 1531   0.499   0.965   0.056
+  109TYR      O 1532   0.579   1.034  -0.006
+  110LEU      N 1533   0.389   1.018   0.113
+  110LEU     HN 1534   0.324   0.959   0.161
+  110LEU     CA 1535   0.372   1.163   0.120
+  110LEU     HA 1536   0.403   1.204   0.025
+  110LEU     CB 1537   0.224   1.205   0.143
+  110LEU    HB1 1538   0.195   1.174   0.246
+  110LEU    HB2 1539   0.161   1.148   0.072
+  110LEU     CG 1540   0.195   1.356   0.125
+  110LEU     HG 1541   0.268   1.415   0.185
+  110LEU    CD1 1542   0.206   1.400  -0.021
+  110LEU   HD11 1543   0.132   1.345  -0.083
+  110LEU   HD12 1544   0.307   1.379  -0.062
+  110LEU   HD13 1545   0.186   1.509  -0.031
+  110LEU    CD2 1546   0.056   1.391   0.180
+  110LEU   HD21 1547   0.049   1.364   0.287
+  110LEU   HD22 1548  -0.023   1.337   0.124
+  110LEU   HD23 1549   0.037   1.500   0.170
+  110LEU      C 1550   0.461   1.224   0.227
+  110LEU      O 1551   0.474   1.176   0.339
+  111MET      N 1552   0.524   1.338   0.194
+  111MET     HN 1553   0.516   1.375   0.101
+  111MET     CA 1554   0.615   1.407   0.281
+  111MET     HA 1555   0.632   1.348   0.370
+  111MET     CB 1556   0.751   1.432   0.214
+  111MET    HB1 1557   0.817   1.480   0.289
+  111MET    HB2 1558   0.740   1.501   0.128
+  111MET     CG 1559   0.823   1.306   0.165
+  111MET    HG1 1560   0.773   1.270   0.072
+  111MET    HG2 1561   0.814   1.224   0.240
+  111MET     SD 1562   0.999   1.339   0.131
+  111MET     CE 1563   1.060   1.299   0.297
+  111MET    HE1 1564   1.035   1.194   0.324
+  111MET    HE2 1565   1.015   1.366   0.373
+  111MET    HE3 1566   1.170   1.309   0.301
+  111MET      C 1567   0.561   1.540   0.327
+  111MET      O 1568   0.479   1.605   0.259
+  112ALA      N 1569   0.604   1.585   0.445
+  112ALA     HN 1570   0.669   1.529   0.498
+  112ALA     CA 1571   0.569   1.715   0.498
+  112ALA     HA 1572   0.481   1.753   0.448
+  112ALA     CB 1573   0.542   1.703   0.649
+  112ALA    HB1 1574   0.628   1.659   0.703
+  112ALA    HB2 1575   0.454   1.638   0.667
+  112ALA    HB3 1576   0.519   1.802   0.693
+  112ALA      C 1577   0.683   1.814   0.481
+  112ALA      O 1578   0.664   1.935   0.493
+  113SER      N 1579   0.803   1.763   0.450
+  113SER     HN 1580   0.817   1.664   0.440
+  113SER     CA 1581   0.921   1.842   0.422
+  113SER     HA 1582   0.895   1.918   0.351
+  113SER     CB 1583   0.989   1.902   0.549
+  113SER    HB1 1584   0.914   1.958   0.607
+  113SER    HB2 1585   1.066   1.976   0.515
+  113SER     OG 1586   1.054   1.805   0.632
+  113SER    HG1 1587   0.986   1.757   0.683
+  113SER      C 1588   1.015   1.745   0.355
+  113SER      O 1589   0.987   1.626   0.352
+  114ASP      N 1590   1.130   1.791   0.304
+  114ASP     HN 1591   1.151   1.888   0.304
+  114ASP     CA 1592   1.225   1.704   0.237
+  114ASP     HA 1593   1.172   1.648   0.160
+  114ASP     CB 1594   1.340   1.787   0.175
+  114ASP    HB1 1595   1.422   1.721   0.141
+  114ASP    HB2 1596   1.379   1.858   0.250
+  114ASP     CG 1597   1.299   1.865   0.052
+  114ASP    OD1 1598   1.197   1.834  -0.013
+  114ASP    OD2 1599   1.386   1.949   0.014
+  114ASP      C 1600   1.291   1.600   0.328
+  114ASP      O 1601   1.356   1.508   0.281
+  115THR      N 1602   1.281   1.617   0.462
+  115THR     HN 1603   1.235   1.698   0.498
+  115THR     CA 1604   1.340   1.523   0.556
+  115THR     HA 1605   1.386   1.441   0.502
+  115THR     CB 1606   1.450   1.585   0.644
+  115THR     HB 1607   1.487   1.514   0.721
+  115THR    OG1 1608   1.412   1.706   0.708
+  115THR    HG1 1609   1.324   1.693   0.745
+  115THR    CG2 1610   1.569   1.619   0.552
+  115THR   HG21 1611   1.538   1.693   0.476
+  115THR   HG22 1612   1.605   1.527   0.501
+  115THR   HG23 1613   1.651   1.663   0.612
+  115THR      C 1614   1.240   1.454   0.647
+  115THR      O 1615   1.281   1.381   0.735
+  116THR      N 1616   1.107   1.475   0.628
+  116THR     HN 1617   1.074   1.531   0.553
+  116THR     CA 1618   1.007   1.416   0.717
+  116THR     HA 1619   1.046   1.324   0.758
+  116THR     CB 1620   0.960   1.506   0.834
+  116THR     HB 1621   0.885   1.450   0.896
+  116THR    OG1 1622   0.901   1.628   0.789
+  116THR    HG1 1623   0.818   1.600   0.748
+  116THR    CG2 1624   1.077   1.542   0.926
+  116THR   HG21 1625   1.151   1.606   0.872
+  116THR   HG22 1626   1.128   1.450   0.961
+  116THR   HG23 1627   1.040   1.598   1.014
+  116THR      C 1628   0.881   1.378   0.643
+  116THR      O 1629   0.832   1.452   0.556
+  117TYR      N 1630   0.819   1.265   0.680
+  117TYR     HN 1631   0.859   1.206   0.751
+  117TYR     CA 1632   0.689   1.224   0.632
+  117TYR     HA 1633   0.691   1.233   0.525
+  117TYR     CB 1634   0.654   1.077   0.667
+  117TYR    HB1 1635   0.555   1.048   0.626
+  117TYR    HB2 1636   0.652   1.064   0.777
+  117TYR     CG 1637   0.754   0.983   0.606
+  117TYR    CD1 1638   0.778   0.980   0.468
+  117TYR    HD1 1639   0.726   1.049   0.402
+  117TYR    CE1 1640   0.868   0.887   0.414
+  117TYR    HE1 1641   0.887   0.885   0.308
+  117TYR     CZ 1642   0.932   0.795   0.497
+  117TYR     OH 1643   1.020   0.700   0.442
+  117TYR     HH 1644   1.042   0.635   0.511
+  117TYR    CD2 1645   0.819   0.890   0.688
+  117TYR    HD2 1646   0.798   0.888   0.794
+  117TYR    CE2 1647   0.908   0.797   0.634
+  117TYR    HE2 1648   0.956   0.724   0.699
+  117TYR      C 1649   0.575   1.312   0.679
+  117TYR      O 1650   0.585   1.387   0.777
+  118GLN      N 1651   0.462   1.309   0.606
+  118GLN     HN 1652   0.456   1.250   0.525
+  118GLN     CA 1653   0.340   1.372   0.649
+  118GLN     HA 1654   0.362   1.453   0.717
+  118GLN     CB 1655   0.261   1.427   0.527
+  118GLN    HB1 1656   0.237   1.342   0.459
+  118GLN    HB2 1657   0.329   1.495   0.472
+  118GLN     CG 1658   0.131   1.505   0.561
+  118GLN    HG1 1659   0.058   1.438   0.610
+  118GLN    HG2 1660   0.086   1.542   0.467
+  118GLN     CD 1661   0.160   1.625   0.650
+  118GLN    OE1 1662   0.211   1.728   0.603
+  118GLN    NE2 1663   0.129   1.615   0.780
+  118GLN   HE21 1664   0.083   1.533   0.814
+  118GLN   HE22 1665   0.163   1.690   0.838
+  118GLN      C 1666   0.254   1.271   0.724
+  118GLN      O 1667   0.209   1.172   0.669
+  119GLU      N 1668   0.229   1.300   0.853
+  119GLU     HN 1669   0.269   1.380   0.896
+  119GLU     CA 1670   0.147   1.217   0.939
+  119GLU     HA 1671   0.153   1.113   0.907
+  119GLU     CB 1672   0.191   1.229   1.087
+  119GLU    HB1 1673   0.126   1.164   1.151
+  119GLU    HB2 1674   0.178   1.334   1.120
+  119GLU     CG 1675   0.338   1.188   1.112
+  119GLU    HG1 1676   0.368   1.213   1.216
+  119GLU    HG2 1677   0.407   1.237   1.041
+  119GLU     CD 1678   0.359   1.037   1.099
+  119GLU    OE1 1679   0.257   0.964   1.093
+  119GLU    OE2 1680   0.477   0.998   1.100
+  119GLU      C 1681   0.004   1.262   0.932
+  119GLU      O 1682  -0.025   1.382   0.920
+  120PHE      N 1683  -0.090   1.167   0.942
+  120PHE     HN 1684  -0.062   1.070   0.941
+  120PHE     CA 1685  -0.232   1.192   0.943
+  120PHE     HA 1686  -0.251   1.298   0.957
+  120PHE     CB 1687  -0.302   1.142   0.814
+  120PHE    HB1 1688  -0.412   1.148   0.823
+  120PHE    HB2 1689  -0.274   1.036   0.796
+  120PHE     CG 1690  -0.260   1.222   0.694
+  120PHE    CD1 1691  -0.140   1.193   0.625
+  120PHE    HD1 1692  -0.074   1.116   0.663
+  120PHE    CE1 1693  -0.109   1.259   0.506
+  120PHE    HE1 1694  -0.018   1.233   0.454
+  120PHE     CZ 1695  -0.196   1.357   0.455
+  120PHE     HZ 1696  -0.172   1.408   0.363
+  120PHE    CD2 1697  -0.346   1.320   0.641
+  120PHE    HD2 1698  -0.439   1.340   0.692
+  120PHE    CE2 1699  -0.314   1.388   0.523
+  120PHE    HE2 1700  -0.382   1.462   0.483
+  120PHE      C 1701  -0.294   1.120   1.060
+  120PHE      O 1702  -0.275   1.002   1.080
+  121THR      N 1703  -0.374   1.192   1.141
+  121THR     HN 1704  -0.384   1.290   1.130
+  121THR     CA 1705  -0.452   1.130   1.247
+  121THR     HA 1706  -0.413   1.032   1.272
+  121THR     CB 1707  -0.455   1.214   1.374
+  121THR     HB 1708  -0.495   1.315   1.352
+  121THR    OG1 1709  -0.322   1.227   1.423
+  121THR    HG1 1710  -0.296   1.135   1.442
+  121THR    CG2 1711  -0.539   1.148   1.484
+  121THR   HG21 1712  -0.500   1.046   1.508
+  121THR   HG22 1713  -0.646   1.139   1.455
+  121THR   HG23 1714  -0.534   1.209   1.577
+  121THR      C 1715  -0.591   1.110   1.194
+  121THR      O 1716  -0.667   1.207   1.175
+  122LEU      N 1717  -0.627   0.986   1.160
+  122LEU     HN 1718  -0.565   0.909   1.177
+  122LEU     CA 1719  -0.749   0.957   1.087
+  122LEU     HA 1720  -0.762   1.032   1.010
+  122LEU     CB 1721  -0.738   0.818   1.018
+  122LEU    HB1 1722  -0.835   0.793   0.968
+  122LEU    HB2 1723  -0.719   0.741   1.095
+  122LEU     CG 1724  -0.628   0.807   0.910
+  122LEU     HG 1725  -0.530   0.836   0.955
+  122LEU    CD1 1726  -0.615   0.661   0.863
+  122LEU   HD11 1727  -0.709   0.627   0.817
+  122LEU   HD12 1728  -0.590   0.594   0.948
+  122LEU   HD13 1729  -0.533   0.652   0.788
+  122LEU    CD2 1730  -0.655   0.899   0.790
+  122LEU   HD21 1731  -0.655   1.005   0.820
+  122LEU   HD22 1732  -0.753   0.874   0.744
+  122LEU   HD23 1733  -0.576   0.884   0.713
+  122LEU      C 1734  -0.874   0.961   1.172
+  122LEU      O 1735  -0.983   0.991   1.122
+  123LEU      N 1736  -0.864   0.936   1.303
+  123LEU     HN 1737  -0.775   0.919   1.345
+  123LEU     CA 1738  -0.981   0.925   1.389
+  123LEU     HA 1739  -1.048   0.855   1.339
+  123LEU     CB 1740  -0.946   0.867   1.528
+  123LEU    HB1 1741  -0.880   0.940   1.580
+  123LEU    HB2 1742  -0.887   0.775   1.513
+  123LEU     CG 1743  -1.067   0.834   1.618
+  123LEU     HG 1744  -1.134   0.923   1.623
+  123LEU    CD1 1745  -1.147   0.715   1.562
+  123LEU   HD11 1746  -1.082   0.626   1.551
+  123LEU   HD12 1747  -1.189   0.739   1.462
+  123LEU   HD13 1748  -1.231   0.689   1.629
+  123LEU    CD2 1749  -1.023   0.803   1.762
+  123LEU   HD21 1750  -0.963   0.888   1.802
+  123LEU   HD22 1751  -0.959   0.712   1.764
+  123LEU   HD23 1752  -1.111   0.787   1.827
+  123LEU      C 1753  -1.059   1.055   1.405
+  123LEU      O 1754  -1.006   1.157   1.452
+  124GLY      N 1755  -1.188   1.056   1.367
+  124GLY     HN 1756  -1.230   0.974   1.325
+  124GLY     CA 1757  -1.274   1.174   1.373
+  124GLY    HA1 1758  -1.245   1.236   1.457
+  124GLY    HA2 1759  -1.376   1.140   1.378
+  124GLY      C 1760  -1.263   1.258   1.249
+  124GLY      O 1761  -1.309   1.373   1.245
+  125ASN      N 1762  -1.203   1.204   1.143
+  125ASN     HN 1763  -1.173   1.108   1.147
+  125ASN     CA 1764  -1.172   1.274   1.021
+  125ASN     HA 1765  -1.235   1.361   1.012
+  125ASN     CB 1766  -1.022   1.315   1.013
+  125ASN    HB1 1767  -1.001   1.366   0.916
+  125ASN    HB2 1768  -0.957   1.226   1.019
+  125ASN     CG 1769  -0.986   1.415   1.122
+  125ASN    OD1 1770  -1.017   1.533   1.113
+  125ASN    ND2 1771  -0.909   1.370   1.224
+  125ASN   HD21 1772  -0.873   1.276   1.222
+  125ASN   HD22 1773  -0.893   1.428   1.301
+  125ASN      C 1774  -1.208   1.183   0.904
+  125ASN      O 1775  -1.238   1.066   0.919
+  126GLU      N 1776  -1.208   1.242   0.783
+  126GLU     HN 1777  -1.185   1.338   0.772
+  126GLU     CA 1778  -1.236   1.169   0.662
+  126GLU     HA 1779  -1.228   1.063   0.680
+  126GLU     CB 1780  -1.378   1.204   0.607
+  126GLU    HB1 1781  -1.450   1.191   0.691
+  126GLU    HB2 1782  -1.405   1.129   0.529
+  126GLU     CG 1783  -1.391   1.346   0.546
+  126GLU    HG1 1784  -1.332   1.352   0.453
+  126GLU    HG2 1785  -1.352   1.420   0.618
+  126GLU     CD 1786  -1.534   1.388   0.513
+  126GLU    OE1 1787  -1.632   1.318   0.544
+  126GLU    OE2 1788  -1.546   1.502   0.455
+  126GLU      C 1789  -1.130   1.204   0.561
+  126GLU      O 1790  -1.061   1.308   0.571
+  127PHE      N 1791  -1.112   1.117   0.462
+  127PHE     HN 1792  -1.173   1.036   0.457
+  127PHE     CA 1793  -1.013   1.128   0.359
+  127PHE     HA 1794  -0.971   1.228   0.358
+  127PHE     CB 1795  -0.901   1.023   0.382
+  127PHE    HB1 1796  -0.941   0.920   0.373
+  127PHE    HB2 1797  -0.861   1.035   0.484
+  127PHE     CG 1798  -0.787   1.040   0.284
+  127PHE    CD1 1799  -0.680   1.125   0.315
+  127PHE    HD1 1800  -0.680   1.179   0.408
+  127PHE    CE1 1801  -0.571   1.137   0.228
+  127PHE    HE1 1802  -0.487   1.201   0.254
+  127PHE     CZ 1803  -0.569   1.064   0.109
+  127PHE     HZ 1804  -0.484   1.072   0.041
+  127PHE    CD2 1805  -0.784   0.967   0.164
+  127PHE    HD2 1806  -0.865   0.900   0.140
+  127PHE    CE2 1807  -0.676   0.981   0.076
+  127PHE    HE2 1808  -0.674   0.924  -0.016
+  127PHE      C 1809  -1.085   1.107   0.226
+  127PHE      O 1810  -1.158   1.012   0.208
+  128SER      N 1811  -1.065   1.203   0.133
+  128SER     HN 1812  -1.002   1.278   0.151
+  128SER     CA 1813  -1.126   1.202   0.002
+  128SER     HA 1814  -1.181   1.111  -0.015
+  128SER     CB 1815  -1.222   1.324  -0.017
+  128SER    HB1 1816  -1.167   1.417   0.011
+  128SER    HB2 1817  -1.306   1.312   0.055
+  128SER     OG 1818  -1.276   1.339  -0.149
+  128SER    HG1 1819  -1.201   1.344  -0.211
+  128SER      C 1820  -1.016   1.210  -0.101
+  128SER      O 1821  -0.917   1.281  -0.082
+  129PHE      N 1822  -1.031   1.138  -0.213
+  129PHE     HN 1823  -1.108   1.075  -0.226
+  129PHE     CA 1824  -0.937   1.147  -0.323
+  129PHE     HA 1825  -0.909   1.250  -0.336
+  129PHE     CB 1826  -0.808   1.061  -0.302
+  129PHE    HB1 1827  -0.759   1.091  -0.207
+  129PHE    HB2 1828  -0.737   1.081  -0.385
+  129PHE     CG 1829  -0.835   0.912  -0.295
+  129PHE    CD1 1830  -0.896   0.856  -0.182
+  129PHE    HD1 1831  -0.923   0.919  -0.099
+  129PHE    CE1 1832  -0.926   0.719  -0.178
+  129PHE    HE1 1833  -0.978   0.678  -0.093
+  129PHE     CZ 1834  -0.893   0.637  -0.286
+  129PHE     HZ 1835  -0.920   0.533  -0.285
+  129PHE    CD2 1836  -0.798   0.828  -0.402
+  129PHE    HD2 1837  -0.749   0.869  -0.489
+  129PHE    CE2 1838  -0.827   0.691  -0.397
+  129PHE    HE2 1839  -0.800   0.626  -0.479
+  129PHE      C 1840  -1.013   1.106  -0.448
+  129PHE      O 1841  -1.112   1.034  -0.443
+  130ASP      N 1842  -0.967   1.156  -0.565
+  130ASP     HN 1843  -0.887   1.215  -0.567
+  130ASP     CA 1844  -1.013   1.111  -0.694
+  130ASP     HA 1845  -1.109   1.062  -0.684
+  130ASP     CB 1846  -1.020   1.224  -0.802
+  130ASP    HB1 1847  -1.050   1.178  -0.897
+  130ASP    HB2 1848  -0.919   1.269  -0.812
+  130ASP     CG 1849  -1.119   1.337  -0.778
+  130ASP    OD1 1850  -1.200   1.337  -0.685
+  130ASP    OD2 1851  -1.115   1.430  -0.867
+  130ASP      C 1852  -0.913   1.006  -0.744
+  130ASP      O 1853  -0.792   1.014  -0.717
+  131VAL      N 1854  -0.959   0.907  -0.821
+  131VAL     HN 1855  -1.057   0.897  -0.839
+  131VAL     CA 1856  -0.872   0.802  -0.872
+  131VAL     HA 1857  -0.773   0.844  -0.888
+  131VAL     CB 1858  -0.857   0.686  -0.773
+  131VAL     HB 1859  -0.826   0.731  -0.676
+  131VAL    CG1 1860  -0.992   0.614  -0.750
+  131VAL   HG11 1861  -1.026   0.561  -0.841
+  131VAL   HG12 1862  -1.071   0.685  -0.717
+  131VAL   HG13 1863  -0.980   0.538  -0.669
+  131VAL    CG2 1864  -0.746   0.589  -0.816
+  131VAL   HG21 1865  -0.650   0.643  -0.830
+  131VAL   HG22 1866  -0.771   0.537  -0.911
+  131VAL   HG23 1867  -0.731   0.512  -0.738
+  131VAL      C 1868  -0.922   0.758  -1.008
+  131VAL      O 1869  -1.041   0.757  -1.036
+  132ASP      N 1870  -0.828   0.726  -1.099
+  132ASP     HN 1871  -0.731   0.732  -1.073
+  132ASP     CA 1872  -0.854   0.670  -1.230
+  132ASP     HA 1873  -0.960   0.655  -1.244
+  132ASP     CB 1874  -0.798   0.762  -1.342
+  132ASP    HB1 1875  -0.689   0.775  -1.325
+  132ASP    HB2 1876  -0.845   0.862  -1.335
+  132ASP     CG 1877  -0.816   0.710  -1.485
+  132ASP    OD1 1878  -0.901   0.623  -1.511
+  132ASP    OD2 1879  -0.744   0.765  -1.574
+  132ASP      C 1880  -0.786   0.534  -1.230
+  132ASP      O 1881  -0.664   0.523  -1.213
+  133VAL      N 1882  -0.866   0.427  -1.246
+  133VAL     HN 1883  -0.964   0.439  -1.258
+  133VAL     CA 1884  -0.819   0.289  -1.240
+  133VAL     HA 1885  -0.713   0.286  -1.220
+  133VAL     CB 1886  -0.892   0.210  -1.131
+  133VAL     HB 1887  -0.859   0.103  -1.134
+  133VAL    CG1 1888  -0.854   0.266  -0.992
+  133VAL   HG11 1889  -0.893   0.368  -0.979
+  133VAL   HG12 1890  -0.744   0.267  -0.980
+  133VAL   HG13 1891  -0.897   0.201  -0.913
+  133VAL    CG2 1892  -1.045   0.214  -1.153
+  133VAL   HG21 1893  -1.072   0.175  -1.252
+  133VAL   HG22 1894  -1.085   0.317  -1.141
+  133VAL   HG23 1895  -1.094   0.151  -1.077
+  133VAL      C 1896  -0.841   0.223  -1.375
+  133VAL      O 1897  -0.827   0.101  -1.390
+  134SER      N 1898  -0.873   0.301  -1.479
+  134SER     HN 1899  -0.879   0.401  -1.466
+  134SER     CA 1900  -0.916   0.251  -1.609
+  134SER     HA 1901  -0.998   0.182  -1.590
+  134SER     CB 1902  -0.968   0.363  -1.703
+  134SER    HB1 1903  -1.054   0.412  -1.652
+  134SER    HB2 1904  -1.006   0.317  -1.797
+  134SER     OG 1905  -0.871   0.463  -1.734
+  134SER    HG1 1906  -0.866   0.522  -1.655
+  134SER      C 1907  -0.811   0.170  -1.683
+  134SER      O 1908  -0.844   0.081  -1.763
+  135GLN      N 1909  -0.683   0.200  -1.659
+  135GLN     HN 1910  -0.662   0.271  -1.592
+  135GLN     CA 1911  -0.570   0.137  -1.724
+  135GLN     HA 1912  -0.603   0.093  -1.818
+  135GLN     CB 1913  -0.459   0.242  -1.752
+  135GLN    HB1 1914  -0.376   0.192  -1.807
+  135GLN    HB2 1915  -0.419   0.279  -1.656
+  135GLN     CG 1916  -0.504   0.364  -1.835
+  135GLN    HG1 1917  -0.416   0.426  -1.861
+  135GLN    HG2 1918  -0.572   0.427  -1.774
+  135GLN     CD 1919  -0.573   0.324  -1.967
+  135GLN    OE1 1920  -0.513   0.266  -2.057
+  135GLN    NE2 1921  -0.703   0.360  -1.979
+  135GLN   HE21 1922  -0.750   0.399  -1.901
+  135GLN   HE22 1923  -0.748   0.329  -2.063
+  135GLN      C 1924  -0.513   0.023  -1.641
+  135GLN      O 1925  -0.406  -0.027  -1.671
+  136LEU      N 1926  -0.585  -0.022  -1.536
+  136LEU     HN 1927  -0.672   0.021  -1.510
+  136LEU     CA 1928  -0.544  -0.134  -1.454
+  136LEU     HA 1929  -0.440  -0.157  -1.471
+  136LEU     CB 1930  -0.558  -0.102  -1.302
+  136LEU    HB1 1931  -0.525  -0.191  -1.243
+  136LEU    HB2 1932  -0.666  -0.083  -1.279
+  136LEU     CG 1933  -0.479   0.020  -1.252
+  136LEU     HG 1934  -0.510   0.110  -1.309
+  136LEU    CD1 1935  -0.511   0.044  -1.104
+  136LEU   HD11 1936  -0.481  -0.045  -1.043
+  136LEU   HD12 1937  -0.620   0.060  -1.089
+  136LEU   HD13 1938  -0.457   0.132  -1.065
+  136LEU    CD2 1939  -0.327   0.001  -1.271
+  136LEU   HD21 1940  -0.302  -0.006  -1.379
+  136LEU   HD22 1941  -0.293  -0.091  -1.220
+  136LEU   HD23 1942  -0.273   0.088  -1.229
+  136LEU      C 1943  -0.631  -0.255  -1.485
+  136LEU      O 1944  -0.750  -0.257  -1.450
+  137PRO      N 1945  -0.582  -0.360  -1.550
+  137PRO     CD 1946  -0.456  -0.361  -1.625
+  137PRO    HD1 1947  -0.369  -0.345  -1.558
+  137PRO    HD2 1948  -0.459  -0.283  -1.704
+  137PRO     CA 1949  -0.660  -0.482  -1.571
+  137PRO     HA 1950  -0.766  -0.461  -1.579
+  137PRO     CB 1951  -0.597  -0.537  -1.700
+  137PRO    HB1 1952  -0.640  -0.484  -1.787
+  137PRO    HB2 1953  -0.612  -0.646  -1.716
+  137PRO     CG 1954  -0.449  -0.500  -1.689
+  137PRO    HG1 1955  -0.397  -0.570  -1.620
+  137PRO    HG2 1956  -0.397  -0.500  -1.787
+  137PRO      C 1957  -0.638  -0.576  -1.453
+  137PRO      O 1958  -0.587  -0.535  -1.350
+  138CYS      N 1959  -0.676  -0.705  -1.470
+  138CYS     HN 1960  -0.717  -0.734  -1.554
+  138CYS     CA 1961  -0.653  -0.811  -1.373
+  138CYS     HA 1962  -0.704  -0.785  -1.281
+  138CYS     CB 1963  -0.705  -0.947  -1.427
+  138CYS    HB1 1964  -0.687  -1.026  -1.350
+  138CYS    HB2 1965  -0.646  -0.974  -1.518
+  138CYS     SG 1966  -0.881  -0.947  -1.471
+  138CYS      C 1967  -0.506  -0.832  -1.341
+  138CYS      O 1968  -0.421  -0.831  -1.431
+  139GLY      N 1969  -0.474  -0.854  -1.212
+  139GLY     HN 1970  -0.549  -0.860  -1.144
+  139GLY     CA 1971  -0.339  -0.885  -1.167
+  139GLY    HA1 1972  -0.281  -0.924  -1.249
+  139GLY    HA2 1973  -0.347  -0.956  -1.086
+  139GLY      C 1974  -0.260  -0.767  -1.117
+  139GLY      O 1975  -0.150  -0.782  -1.067
+  140LEU      N 1976  -0.317  -0.646  -1.130
+  140LEU     HN 1977  -0.408  -0.640  -1.170
+  140LEU     CA 1978  -0.255  -0.523  -1.088
+  140LEU     HA 1979  -0.155  -0.542  -1.051
+  140LEU     CB 1980  -0.248  -0.416  -1.201
+  140LEU    HB1 1981  -0.231  -0.315  -1.155
+  140LEU    HB2 1982  -0.344  -0.412  -1.255
+  140LEU     CG 1983  -0.131  -0.433  -1.301
+  140LEU     HG 1984  -0.037  -0.448  -1.241
+  140LEU    CD1 1985  -0.146  -0.555  -1.393
+  140LEU   HD11 1986  -0.243  -0.551  -1.448
+  140LEU   HD12 1987  -0.142  -0.649  -1.335
+  140LEU   HD13 1988  -0.063  -0.557  -1.467
+  140LEU    CD2 1989  -0.113  -0.305  -1.383
+  140LEU   HD21 1990  -0.085  -0.220  -1.317
+  140LEU   HD22 1991  -0.207  -0.279  -1.436
+  140LEU   HD23 1992  -0.033  -0.319  -1.458
+  140LEU      C 1993  -0.333  -0.466  -0.973
+  140LEU      O 1994  -0.452  -0.495  -0.955
+  141ASN      N 1995  -0.268  -0.383  -0.891
+  141ASN     HN 1996  -0.169  -0.366  -0.903
+  141ASN     CA 1997  -0.331  -0.316  -0.780
+  141ASN     HA 1998  -0.437  -0.302  -0.801
+  141ASN     CB 1999  -0.315  -0.403  -0.653
+  141ASN    HB1 2000  -0.207  -0.424  -0.635
+  141ASN    HB2 2001  -0.367  -0.499  -0.673
+  141ASN     CG 2002  -0.376  -0.344  -0.526
+  141ASN    OD1 2003  -0.436  -0.236  -0.525
+  141ASN    ND2 2004  -0.361  -0.418  -0.414
+  141ASN   HD21 2005  -0.395  -0.381  -0.328
+  141ASN   HD22 2006  -0.310  -0.504  -0.419
+  141ASN      C 2007  -0.268  -0.178  -0.771
+  141ASN      O 2008  -0.149  -0.163  -0.752
+  142GLY      N 2009  -0.352  -0.074  -0.789
+  142GLY     HN 2010  -0.449  -0.091  -0.806
+  142GLY     CA 2011  -0.316   0.063  -0.755
+  142GLY    HA1 2012  -0.363   0.128  -0.826
+  142GLY    HA2 2013  -0.208   0.075  -0.749
+  142GLY      C 2014  -0.375   0.091  -0.621
+  142GLY      O 2015  -0.496   0.102  -0.607
+  143ALA      N 2016  -0.289   0.106  -0.519
+  143ALA     HN 2017  -0.191   0.105  -0.533
+  143ALA     CA 2018  -0.333   0.113  -0.381
+  143ALA     HA 2019  -0.440   0.098  -0.376
+  143ALA     CB 2020  -0.266   0.004  -0.296
+  143ALA    HB1 2021  -0.156   0.015  -0.295
+  143ALA    HB2 2022  -0.290  -0.097  -0.338
+  143ALA    HB3 2023  -0.303   0.006  -0.191
+  143ALA      C 2024  -0.303   0.249  -0.323
+  143ALA      O 2025  -0.207   0.319  -0.360
+  144LEU      N 2026  -0.389   0.292  -0.229
+  144LEU     HN 2027  -0.462   0.230  -0.199
+  144LEU     CA 2028  -0.369   0.411  -0.151
+  144LEU     HA 2029  -0.264   0.439  -0.153
+  144LEU     CB 2030  -0.457   0.530  -0.200
+  144LEU    HB1 2031  -0.564   0.501  -0.199
+  144LEU    HB2 2032  -0.428   0.547  -0.306
+  144LEU     CG 2033  -0.438   0.663  -0.123
+  144LEU     HG 2034  -0.331   0.669  -0.093
+  144LEU    CD1 2035  -0.469   0.782  -0.215
+  144LEU   HD11 2036  -0.575   0.779  -0.246
+  144LEU   HD12 2037  -0.406   0.779  -0.306
+  144LEU   HD13 2038  -0.449   0.878  -0.162
+  144LEU    CD2 2039  -0.526   0.673   0.003
+  144LEU   HD21 2040  -0.504   0.592   0.076
+  144LEU   HD22 2041  -0.634   0.666  -0.024
+  144LEU   HD23 2042  -0.508   0.769   0.055
+  144LEU      C 2043  -0.403   0.371  -0.010
+  144LEU      O 2044  -0.511   0.318   0.016
+  145TYR      N 2045  -0.312   0.394   0.085
+  145TYR     HN 2046  -0.225   0.441   0.066
+  145TYR     CA 2047  -0.326   0.335   0.215
+  145TYR     HA 2048  -0.428   0.346   0.248
+  145TYR     CB 2049  -0.293   0.182   0.214
+  145TYR    HB1 2050  -0.360   0.131   0.142
+  145TYR    HB2 2051  -0.312   0.135   0.313
+  145TYR     CG 2052  -0.152   0.149   0.174
+  145TYR    CD1 2053  -0.112   0.154   0.040
+  145TYR    HD1 2054  -0.182   0.185  -0.036
+  145TYR    CE1 2055   0.017   0.114   0.002
+  145TYR    HE1 2056   0.047   0.119  -0.101
+  145TYR     CZ 2057   0.105   0.063   0.099
+  145TYR     OH 2058   0.232   0.016   0.063
+  145TYR     HH 2059   0.264  -0.035   0.140
+  145TYR    CD2 2060  -0.063   0.098   0.270
+  145TYR    HD2 2061  -0.096   0.084   0.372
+  145TYR    CE2 2062   0.065   0.055   0.233
+  145TYR    HE2 2063   0.130   0.012   0.308
+  145TYR      C 2064  -0.243   0.413   0.314
+  145TYR      O 2065  -0.169   0.504   0.279
+  146PHE      N 2066  -0.261   0.383   0.444
+  146PHE     HN 2067  -0.322   0.307   0.468
+  146PHE     CA 2068  -0.187   0.444   0.551
+  146PHE     HA 2069  -0.107   0.505   0.511
+  146PHE     CB 2070  -0.276   0.528   0.646
+  146PHE    HB1 2071  -0.218   0.562   0.734
+  146PHE    HB2 2072  -0.361   0.467   0.683
+  146PHE     CG 2073  -0.330   0.650   0.579
+  146PHE    CD1 2074  -0.261   0.772   0.591
+  146PHE    HD1 2075  -0.167   0.775   0.644
+  146PHE    CE1 2076  -0.313   0.889   0.535
+  146PHE    HE1 2077  -0.258   0.980   0.542
+  146PHE     CZ 2078  -0.435   0.886   0.468
+  146PHE     HZ 2079  -0.475   0.976   0.424
+  146PHE    CD2 2080  -0.454   0.648   0.512
+  146PHE    HD2 2081  -0.507   0.555   0.505
+  146PHE    CE2 2082  -0.506   0.765   0.456
+  146PHE    HE2 2083  -0.601   0.763   0.405
+  146PHE      C 2084  -0.123   0.336   0.635
+  146PHE      O 2085  -0.179   0.229   0.653
+  147VAL      N 2086  -0.005   0.365   0.693
+  147VAL     HN 2087   0.040   0.452   0.676
+  147VAL     CA 2088   0.066   0.272   0.779
+  147VAL     HA 2089  -0.003   0.201   0.822
+  147VAL     CB 2090   0.176   0.193   0.707
+  147VAL     HB 2091   0.238   0.137   0.781
+  147VAL    CG1 2092   0.114   0.087   0.615
+  147VAL   HG11 2093   0.056   0.134   0.533
+  147VAL   HG12 2094   0.046   0.020   0.671
+  147VAL   HG13 2095   0.193   0.024   0.568
+  147VAL    CG2 2096   0.267   0.287   0.627
+  147VAL   HG21 2097   0.314   0.364   0.692
+  147VAL   HG22 2098   0.209   0.339   0.548
+  147VAL   HG23 2099   0.348   0.229   0.578
+  147VAL      C 2100   0.127   0.350   0.893
+  147VAL      O 2101   0.162   0.467   0.880
+  148SER      N 2102   0.138   0.289   1.013
+  148SER     HN 2103   0.105   0.194   1.022
+  148SER     CA 2104   0.196   0.354   1.129
+  148SER     HA 2105   0.168   0.458   1.128
+  148SER     CB 2106   0.146   0.296   1.264
+  148SER    HB1 2107   0.202   0.340   1.349
+  148SER    HB2 2108   0.163   0.185   1.264
+  148SER     OG 2109   0.007   0.322   1.285
+  148SER    HG1 2110  -0.004   0.417   1.279
+  148SER      C 2111   0.349   0.352   1.130
+  148SER      O 2112   0.412   0.289   1.214
+  149MET      N 2113   0.410   0.427   1.036
+  149MET     HN 2114   0.354   0.478   0.971
+  149MET     CA 2115   0.553   0.449   1.028
+  149MET     HA 2116   0.603   0.359   1.059
+  149MET     CB 2117   0.598   0.483   0.883
+  149MET    HB1 2118   0.705   0.515   0.883
+  149MET    HB2 2119   0.537   0.568   0.846
+  149MET     CG 2120   0.588   0.365   0.785
+  149MET    HG1 2121   0.492   0.311   0.804
+  149MET    HG2 2122   0.669   0.292   0.807
+  149MET     SD 2123   0.593   0.413   0.609
+  149MET     CE 2124   0.757   0.488   0.603
+  149MET    HE1 2125   0.836   0.416   0.634
+  149MET    HE2 2126   0.763   0.576   0.671
+  149MET    HE3 2127   0.781   0.524   0.501
+  149MET      C 2128   0.598   0.559   1.122
+  149MET      O 2129   0.518   0.635   1.177
+  150ASP      N 2130   0.730   0.570   1.145
+  150ASP     HN 2131   0.795   0.505   1.105
+  150ASP     CA 2132   0.787   0.682   1.216
+  150ASP     HA 2133   0.716   0.717   1.290
+  150ASP     CB 2134   0.919   0.641   1.287
+  150ASP    HB1 2135   0.960   0.728   1.342
+  150ASP    HB2 2136   0.994   0.611   1.211
+  150ASP     CG 2137   0.907   0.526   1.388
+  150ASP    OD1 2138   0.806   0.517   1.464
+  150ASP    OD2 2139   1.005   0.452   1.405
+  150ASP      C 2140   0.814   0.796   1.117
+  150ASP      O 2141   0.862   0.774   1.005
+  151ALA      N 2142   0.788   0.923   1.156
+  151ALA     HN 2143   0.743   0.936   1.243
+  151ALA     CA 2144   0.794   1.041   1.070
+  151ALA     HA 2145   0.721   1.026   0.991
+  151ALA     CB 2146   0.755   1.168   1.150
+  151ALA    HB1 2147   0.831   1.190   1.228
+  151ALA    HB2 2148   0.657   1.152   1.198
+  151ALA    HB3 2149   0.747   1.255   1.081
+  151ALA      C 2150   0.929   1.068   1.006
+  151ALA      O 2151   0.939   1.123   0.896
+  152ASP      N 2152   1.038   1.033   1.076
+  152ASP     HN 2153   1.030   0.984   1.163
+  152ASP     CA 2154   1.173   1.060   1.034
+  152ASP     HA 2155   1.173   1.142   0.964
+  152ASP     CB 2156   1.259   1.099   1.159
+  152ASP    HB1 2157   1.211   1.186   1.208
+  152ASP    HB2 2158   1.361   1.128   1.125
+  152ASP     CG 2159   1.277   0.990   1.264
+  152ASP    OD1 2160   1.211   0.884   1.253
+  152ASP    OD2 2161   1.358   1.010   1.359
+  152ASP      C 2162   1.232   0.940   0.959
+  152ASP      O 2163   1.344   0.946   0.909
+  153GLY      N 2164   1.156   0.830   0.946
+  153GLY     HN 2165   1.062   0.829   0.984
+  153GLY     CA 2166   1.200   0.707   0.881
+  153GLY    HA1 2167   1.263   0.732   0.797
+  153GLY    HA2 2168   1.111   0.652   0.852
+  153GLY      C 2169   1.279   0.618   0.973
+  153GLY      O 2170   1.339   0.521   0.929
+  154GLY      N 2171   1.279   0.649   1.104
+  154GLY     HN 2172   1.233   0.733   1.137
+  154GLY     CA 2173   1.341   0.567   1.208
+  154GLY    HA1 2174   1.348   0.464   1.175
+  154GLY    HA2 2175   1.279   0.577   1.296
+  154GLY      C 2176   1.480   0.611   1.247
+  154GLY      O 2177   1.553   0.539   1.312
+  155VAL      N 2178   1.521   0.733   1.206
+  155VAL     HN 2179   1.457   0.791   1.156
+  155VAL     CA 2180   1.653   0.789   1.234
+  155VAL     HA 2181   1.728   0.719   1.198
+  155VAL     CB 2182   1.674   0.923   1.163
+  155VAL     HB 2183   1.593   0.993   1.193
+  155VAL    CG1 2184   1.811   0.986   1.196
+  155VAL   HG11 2185   1.893   0.915   1.170
+  155VAL   HG12 2186   1.821   1.012   1.303
+  155VAL   HG13 2187   1.826   1.079   1.136
+  155VAL    CG2 2188   1.665   0.899   1.011
+  155VAL   HG21 2189   1.566   0.858   0.983
+  155VAL   HG22 2190   1.744   0.828   0.979
+  155VAL   HG23 2191   1.679   0.995   0.956
+  155VAL      C 2192   1.681   0.805   1.383
+  155VAL      O 2193   1.786   0.771   1.434
+  156SER      N 2194   1.582   0.859   1.458
+  156SER     HN 2195   1.497   0.891   1.415
+  156SER     CA 2196   1.592   0.876   1.602
+  156SER     HA 2197   1.682   0.934   1.621
+  156SER     CB 2198   1.471   0.954   1.659
+  156SER    HB1 2199   1.472   1.057   1.615
+  156SER    HB2 2200   1.479   0.965   1.770
+  156SER     OG 2201   1.346   0.894   1.624
+  156SER    HG1 2202   1.329   0.917   1.531
+  156SER      C 2203   1.610   0.748   1.684
+  156SER      O 2204   1.691   0.742   1.775
+  157LYS      N 2205   1.532   0.643   1.650
+  157LYS     HN 2206   1.466   0.654   1.577
+  157LYS     CA 2207   1.538   0.513   1.714
+  157LYS     HA 2208   1.539   0.528   1.822
+  157LYS     CB 2209   1.414   0.428   1.676
+  157LYS    HB1 2210   1.424   0.326   1.719
+  157LYS    HB2 2211   1.410   0.419   1.565
+  157LYS     CG 2212   1.281   0.485   1.725
+  157LYS    HG1 2213   1.266   0.588   1.685
+  157LYS    HG2 2214   1.282   0.493   1.837
+  157LYS     CD 2215   1.163   0.398   1.681
+  157LYS    HD1 2216   1.178   0.294   1.720
+  157LYS    HD2 2217   1.165   0.392   1.570
+  157LYS     CE 2218   1.027   0.451   1.727
+  157LYS    HE1 2219   1.011   0.555   1.689
+  157LYS    HE2 2220   1.020   0.452   1.838
+  157LYS     NZ 2221   0.918   0.368   1.673
+  157LYS    HZ1 2222   0.932   0.268   1.700
+  157LYS    HZ2 2223   0.918   0.381   1.568
+  157LYS    HZ3 2224   0.827   0.403   1.708
+  157LYS      C 2225   1.663   0.433   1.681
+  157LYS      O 2226   1.719   0.361   1.763
+  158TYR      N 2227   1.708   0.447   1.554
+  158TYR     HN 2228   1.663   0.509   1.490
+  158TYR     CA 2229   1.814   0.365   1.498
+  158TYR     HA 2230   1.856   0.301   1.574
+  158TYR     CB 2231   1.758   0.273   1.385
+  158TYR    HB1 2232   1.833   0.198   1.356
+  158TYR    HB2 2233   1.732   0.334   1.295
+  158TYR     CG 2234   1.631   0.203   1.430
+  158TYR    CD1 2235   1.633   0.119   1.542
+  158TYR    HD1 2236   1.725   0.101   1.594
+  158TYR    CE1 2237   1.513   0.064   1.592
+  158TYR    HE1 2238   1.515   0.003   1.681
+  158TYR     CZ 2239   1.391   0.090   1.528
+  158TYR     OH 2240   1.270   0.038   1.577
+  158TYR     HH 2241   1.203   0.052   1.507
+  158TYR    CD2 2242   1.509   0.225   1.364
+  158TYR    HD2 2243   1.506   0.289   1.277
+  158TYR    CE2 2244   1.390   0.170   1.413
+  158TYR    HE2 2245   1.296   0.191   1.363
+  158TYR      C 2246   1.923   0.455   1.443
+  158TYR      O 2247   1.912   0.499   1.324
+  159PRO      N 2248   2.033   0.484   1.511
+  159PRO     CD 2249   2.044   0.459   1.656
+  159PRO    HD1 2250   2.097   0.362   1.670
+  159PRO    HD2 2251   1.946   0.457   1.708
+  159PRO     CA 2252   2.126   0.589   1.469
+  159PRO     HA 2253   2.069   0.677   1.444
+  159PRO     CB 2254   2.218   0.608   1.591
+  159PRO    HB1 2255   2.259   0.711   1.595
+  159PRO    HB2 2256   2.302   0.535   1.589
+  159PRO     CG 2257   2.126   0.576   1.709
+  159PRO    HG1 2258   2.179   0.554   1.803
+  159PRO    HG2 2259   2.058   0.663   1.726
+  159PRO      C 2260   2.211   0.552   1.349
+  159PRO      O 2261   2.278   0.639   1.292
+  160THR      N 2262   2.215   0.423   1.311
+  160THR     HN 2263   2.163   0.354   1.360
+  160THR     CA 2264   2.288   0.373   1.195
+  160THR     HA 2265   2.382   0.426   1.188
+  160THR     CB 2266   2.316   0.224   1.203
+  160THR     HB 2267   2.342   0.180   1.104
+  160THR    OG1 2268   2.206   0.154   1.260
+  160THR    HG1 2269   2.169   0.101   1.187
+  160THR    CG2 2270   2.437   0.202   1.296
+  160THR   HG21 2271   2.414   0.237   1.399
+  160THR   HG22 2272   2.525   0.257   1.258
+  160THR   HG23 2273   2.462   0.094   1.301
+  160THR      C 2274   2.213   0.402   1.066
+  160THR      O 2275   2.270   0.402   0.957
+  161ASN      N 2276   2.083   0.435   1.078
+  161ASN     HN 2277   2.040   0.440   1.168
+  161ASN     CA 2278   2.007   0.493   0.971
+  161ASN     HA 2279   2.041   0.453   0.876
+  161ASN     CB 2280   1.856   0.461   0.990
+  161ASN    HB1 2281   1.820   0.507   1.085
+  161ASN    HB2 2282   1.843   0.352   0.998
+  161ASN     CG 2283   1.772   0.511   0.874
+  161ASN    OD1 2284   1.823   0.550   0.768
+  161ASN    ND2 2285   1.638   0.514   0.894
+  161ASN   HD21 2286   1.579   0.535   0.817
+  161ASN   HD22 2287   1.600   0.491   0.984
+  161ASN      C 2288   2.030   0.643   0.972
+  161ASN      O 2289   1.990   0.714   1.064
+  162THR      N 2290   2.097   0.696   0.869
+  162THR     HN 2291   2.135   0.637   0.799
+  162THR     CA 2292   2.121   0.839   0.853
+  162THR     HA 2293   2.068   0.894   0.930
+  162THR     CB 2294   2.269   0.878   0.862
+  162THR     HB 2295   2.281   0.988   0.841
+  162THR    OG1 2296   2.352   0.804   0.773
+  162THR    HG1 2297   2.430   0.860   0.765
+  162THR    CG2 2298   2.319   0.850   1.004
+  162THR   HG21 2299   2.313   0.742   1.028
+  162THR   HG22 2300   2.257   0.905   1.078
+  162THR   HG23 2301   2.424   0.883   1.015
+  162THR      C 2302   2.064   0.885   0.722
+  162THR      O 2303   2.096   0.993   0.672
+  163ALA      N 2304   1.977   0.803   0.661
+  163ALA     HN 2305   1.947   0.718   0.706
+  163ALA     CA 2306   1.917   0.832   0.533
+  163ALA     HA 2307   1.972   0.910   0.482
+  163ALA     CB 2308   1.919   0.703   0.449
+  163ALA    HB1 2309   1.849   0.627   0.490
+  163ALA    HB2 2310   2.021   0.660   0.447
+  163ALA    HB3 2311   1.890   0.725   0.344
+  163ALA      C 2312   1.775   0.881   0.553
+  163ALA      O 2313   1.730   0.977   0.487
+  164GLY      N 2314   1.703   0.821   0.649
+  164GLY     HN 2315   1.741   0.740   0.695
+  164GLY     CA 2316   1.570   0.860   0.691
+  164GLY    HA1 2317   1.579   0.959   0.734
+  164GLY    HA2 2318   1.535   0.787   0.762
+  164GLY      C 2319   1.464   0.870   0.585
+  164GLY      O 2320   1.470   0.806   0.478
+  165ALA      N 2321   1.362   0.952   0.612
+  165ALA     HN 2322   1.359   0.997   0.701
+  165ALA     CA 2323   1.245   0.971   0.528
+  165ALA     HA 2324   1.198   0.874   0.516
+  165ALA     CB 2325   1.148   1.068   0.597
+  165ALA    HB1 2326   1.194   1.168   0.608
+  165ALA    HB2 2327   1.120   1.029   0.697
+  165ALA    HB3 2328   1.054   1.077   0.538
+  165ALA      C 2329   1.278   1.020   0.387
+  165ALA      O 2330   1.210   0.985   0.290
+  166LYS      N 2331   1.387   1.098   0.373
+  166LYS     HN 2332   1.443   1.115   0.453
+  166LYS     CA 2333   1.437   1.151   0.246
+  166LYS     HA 2334   1.357   1.207   0.200
+  166LYS     CB 2335   1.559   1.244   0.272
+  166LYS    HB1 2336   1.640   1.185   0.320
+  166LYS    HB2 2337   1.526   1.322   0.344
+  166LYS     CG 2338   1.611   1.313   0.144
+  166LYS    HG1 2339   1.523   1.354   0.090
+  166LYS    HG2 2340   1.657   1.236   0.077
+  166LYS     CD 2341   1.713   1.425   0.170
+  166LYS    HD1 2342   1.804   1.380   0.218
+  166LYS    HD2 2343   1.667   1.497   0.242
+  166LYS     CE 2344   1.754   1.499   0.041
+  166LYS    HE1 2345   1.663   1.546  -0.004
+  166LYS    HE2 2346   1.797   1.428  -0.032
+  166LYS     NZ 2347   1.854   1.606   0.066
+  166LYS    HZ1 2348   1.942   1.567   0.106
+  166LYS    HZ2 2349   1.818   1.677   0.133
+  166LYS    HZ3 2350   1.878   1.656  -0.023
+  166LYS      C 2351   1.475   1.042   0.147
+  166LYS      O 2352   1.467   1.059   0.025
+  167TYR      N 2353   1.520   0.925   0.195
+  167TYR     HN 2354   1.526   0.910   0.294
+  167TYR     CA 2355   1.554   0.814   0.109
+  167TYR     HA 2356   1.541   0.842   0.005
+  167TYR     CB 2357   1.701   0.770   0.125
+  167TYR    HB1 2358   1.722   0.676   0.069
+  167TYR    HB2 2359   1.721   0.752   0.233
+  167TYR     CG 2360   1.795   0.877   0.074
+  167TYR    CD1 2361   1.851   0.867  -0.054
+  167TYR    HD1 2362   1.828   0.783  -0.117
+  167TYR    CE1 2363   1.937   0.967  -0.103
+  167TYR    HE1 2364   1.980   0.958  -0.202
+  167TYR     CZ 2365   1.966   1.079  -0.024
+  167TYR     OH 2366   2.051   1.179  -0.075
+  167TYR     HH 2367   2.094   1.142  -0.152
+  167TYR    CD2 2368   1.829   0.988   0.153
+  167TYR    HD2 2369   1.786   0.997   0.252
+  167TYR    CE2 2370   1.913   1.089   0.105
+  167TYR    HE2 2371   1.938   1.174   0.166
+  167TYR      C 2372   1.457   0.699   0.127
+  167TYR      O 2373   1.485   0.585   0.090
+  168GLY      N 2374   1.336   0.727   0.182
+  168GLY     HN 2375   1.316   0.820   0.213
+  168GLY     CA 2376   1.225   0.633   0.184
+  168GLY    HA1 2377   1.213   0.591   0.086
+  168GLY    HA2 2378   1.137   0.687   0.216
+  168GLY      C 2379   1.242   0.517   0.278
+  168GLY      O 2380   1.198   0.406   0.248
+  169THR      N 2381   1.310   0.537   0.392
+  169THR     HN 2382   1.347   0.627   0.414
+  169THR     CA 2383   1.336   0.429   0.487
+  169THR     HA 2384   1.337   0.336   0.432
+  169THR     CB 2385   1.470   0.440   0.561
+  169THR     HB 2386   1.490   0.345   0.617
+  169THR    OG1 2387   1.475   0.547   0.655
+  169THR    HG1 2388   1.393   0.540   0.707
+  169THR    CG2 2389   1.583   0.459   0.459
+  169THR   HG21 2390   1.569   0.553   0.402
+  169THR   HG22 2391   1.584   0.374   0.388
+  169THR   HG23 2392   1.681   0.465   0.511
+  169THR      C 2393   1.226   0.418   0.591
+  169THR      O 2394   1.156   0.516   0.621
+  170GLY      N 2395   1.214   0.300   0.654
+  170GLY     HN 2396   1.261   0.219   0.617
+  170GLY     CA 2397   1.136   0.282   0.775
+  170GLY    HA1 2398   1.119   0.377   0.823
+  170GLY    HA2 2399   1.191   0.213   0.839
+  170GLY      C 2400   1.003   0.221   0.750
+  170GLY      O 2401   0.918   0.221   0.839
+  171TYR      N 2402   0.981   0.165   0.630
+  171TYR     HN 2403   1.051   0.165   0.560
+  171TYR     CA 2404   0.855   0.104   0.592
+  171TYR     HA 2405   0.779   0.180   0.607
+  171TYR     CB 2406   0.854   0.067   0.441
+  171TYR    HB1 2407   0.935  -0.007   0.421
+  171TYR    HB2 2408   0.876   0.158   0.381
+  171TYR     CG 2409   0.722   0.011   0.394
+  171TYR    CD1 2410   0.605   0.090   0.392
+  171TYR    HD1 2411   0.610   0.192   0.426
+  171TYR    CE1 2412   0.484   0.038   0.345
+  171TYR    HE1 2413   0.395   0.098   0.345
+  171TYR     CZ 2414   0.479  -0.094   0.299
+  171TYR     OH 2415   0.360  -0.150   0.247
+  171TYR     HH 2416   0.359  -0.244   0.274
+  171TYR    CD2 2417   0.713  -0.122   0.350
+  171TYR    HD2 2418   0.801  -0.184   0.352
+  171TYR    CE2 2419   0.592  -0.175   0.303
+  171TYR    HE2 2420   0.587  -0.277   0.269
+  171TYR      C 2421   0.814  -0.013   0.683
+  171TYR      O 2422   0.896  -0.086   0.738
+  172CYS      N 2423   0.682  -0.028   0.702
+  172CYS     HN 2424   0.614   0.031   0.658
+  172CYS     CA 2425   0.626  -0.135   0.779
+  172CYS     HA 2426   0.679  -0.227   0.756
+  172CYS     CB 2427   0.632  -0.104   0.931
+  172CYS    HB1 2428   0.739  -0.097   0.957
+  172CYS    HB2 2429   0.589  -0.189   0.987
+  172CYS     SG 2430   0.552   0.053   0.980
+  172CYS      C 2431   0.485  -0.153   0.731
+  172CYS      O 2432   0.425  -0.057   0.682
+  173ASP      N 2433   0.430  -0.274   0.743
+  173ASP     HN 2434   0.480  -0.351   0.784
+  173ASP     CA 2435   0.294  -0.304   0.704
+  173ASP     HA 2436   0.231  -0.225   0.745
+  173ASP     CB 2437   0.273  -0.303   0.550
+  173ASP    HB1 2438   0.316  -0.212   0.506
+  173ASP    HB2 2439   0.163  -0.298   0.532
+  173ASP     CG 2440   0.320  -0.423   0.469
+  173ASP    OD1 2441   0.288  -0.540   0.510
+  173ASP    OD2 2442   0.377  -0.402   0.361
+  173ASP      C 2443   0.253  -0.430   0.777
+  173ASP      O 2444   0.328  -0.486   0.857
+  174SER      N 2445   0.128  -0.475   0.756
+  174SER     HN 2446   0.071  -0.433   0.684
+  174SER     CA 2447   0.067  -0.583   0.831
+  174SER     HA 2448   0.097  -0.572   0.934
+  174SER     CB 2449  -0.087  -0.572   0.827
+  174SER    HB1 2450  -0.116  -0.469   0.859
+  174SER    HB2 2451  -0.132  -0.643   0.898
+  174SER     OG 2452  -0.140  -0.595   0.696
+  174SER    HG1 2453  -0.128  -0.513   0.642
+  174SER      C 2454   0.109  -0.723   0.788
+  174SER      O 2455   0.090  -0.821   0.862
+  175GLN      N 2456   0.176  -0.737   0.672
+  175GLN     HN 2457   0.191  -0.658   0.610
+  175GLN     CA 2458   0.241  -0.861   0.632
+  175GLN     HA 2459   0.177  -0.945   0.658
+  175GLN     CB 2460   0.277  -0.863   0.480
+  175GLN    HB1 2461   0.323  -0.961   0.456
+  175GLN    HB2 2462   0.352  -0.784   0.459
+  175GLN     CG 2463   0.159  -0.839   0.385
+  175GLN    HG1 2464   0.186  -0.865   0.281
+  175GLN    HG2 2465   0.133  -0.731   0.387
+  175GLN     CD 2466   0.039  -0.923   0.427
+  175GLN    OE1 2467   0.048  -1.046   0.420
+  175GLN    NE2 2468  -0.072  -0.857   0.469
+  175GLN   HE21 2469  -0.072  -0.756   0.468
+  175GLN   HE22 2470  -0.154  -0.905   0.497
+  175GLN      C 2471   0.372  -0.878   0.704
+  175GLN      O 2472   0.433  -0.985   0.703
+  176CYS      N 2473   0.419  -0.768   0.765
+  176CYS     HN 2474   0.362  -0.686   0.761
+  176CYS     CA 2475   0.548  -0.755   0.827
+  176CYS     HA 2476   0.554  -0.652   0.859
+  176CYS     CB 2477   0.559  -0.840   0.956
+  176CYS    HB1 2478   0.655  -0.817   1.005
+  176CYS    HB2 2479   0.558  -0.948   0.929
+  176CYS     SG 2480   0.421  -0.809   1.071
+  176CYS      C 2481   0.665  -0.779   0.732
+  176CYS      O 2482   0.749  -0.865   0.760
+  177PRO      N 2483   0.674  -0.706   0.619
+  177PRO     CD 2484   0.601  -0.582   0.595
+  177PRO    HD1 2485   0.575  -0.526   0.687
+  177PRO    HD2 2486   0.508  -0.609   0.540
+  177PRO     CA 2487   0.758  -0.737   0.504
+  177PRO     HA 2488   0.716  -0.825   0.458
+  177PRO     CB 2489   0.745  -0.615   0.411
+  177PRO    HB1 2490   0.666  -0.637   0.335
+  177PRO    HB2 2491   0.838  -0.587   0.358
+  177PRO     CG 2492   0.693  -0.504   0.503
+  177PRO    HG1 2493   0.776  -0.461   0.562
+  177PRO    HG2 2494   0.639  -0.424   0.448
+  177PRO      C 2495   0.902  -0.772   0.535
+  177PRO      O 2496   0.974  -0.696   0.599
+  178ARG      N 2497   0.946  -0.889   0.484
+  178ARG     HN 2498   0.883  -0.946   0.433
+  178ARG     CA 2499   1.080  -0.940   0.504
+  178ARG     HA 2500   1.128  -0.887   0.585
+  178ARG     CB 2501   1.076  -1.092   0.535
+  178ARG    HB1 2502   1.180  -1.132   0.539
+  178ARG    HB2 2503   1.023  -1.142   0.452
+  178ARG     CG 2504   1.006  -1.131   0.667
+  178ARG    HG1 2505   0.910  -1.077   0.676
+  178ARG    HG2 2506   1.069  -1.099   0.754
+  178ARG     CD 2507   0.975  -1.281   0.679
+  178ARG    HD1 2508   0.908  -1.312   0.595
+  178ARG    HD2 2509   0.924  -1.303   0.776
+  178ARG     NE 2510   1.100  -1.361   0.673
+  178ARG     HE 2511   1.190  -1.312   0.662
+  178ARG     CZ 2512   1.109  -1.491   0.679
+  178ARG    NH1 2513   0.994  -1.568   0.691
+  178ARG   HH11 2514   0.909  -1.521   0.691
+  178ARG   HH12 2515   0.999  -1.666   0.693
+  178ARG    NH2 2516   1.219  -1.553   0.675
+  178ARG   HH21 2517   1.303  -1.494   0.659
+  178ARG   HH22 2518   1.223  -1.651   0.683
+  178ARG      C 2519   1.164  -0.921   0.379
+  178ARG      O 2520   1.278  -0.964   0.373
+  179ASP      N 2521   1.110  -0.853   0.275
+  179ASP     HN 2522   1.018  -0.814   0.278
+  179ASP     CA 2523   1.181  -0.830   0.152
+  179ASP     HA 2524   1.256  -0.906   0.138
+  179ASP     CB 2525   1.082  -0.839   0.030
+  179ASP    HB1 2526   1.031  -0.937   0.032
+  179ASP    HB2 2527   1.142  -0.833  -0.063
+  179ASP     CG 2528   0.976  -0.730   0.023
+  179ASP    OD1 2529   0.964  -0.647   0.115
+  179ASP    OD2 2530   0.901  -0.729  -0.080
+  179ASP      C 2531   1.254  -0.696   0.157
+  179ASP      O 2532   1.333  -0.661   0.070
+  180LEU      N 2533   1.230  -0.617   0.264
+  180LEU     HN 2534   1.159  -0.644   0.329
+  180LEU     CA 2535   1.297  -0.492   0.288
+  180LEU     HA 2536   1.285  -0.433   0.198
+  180LEU     CB 2537   1.237  -0.411   0.405
+  180LEU    HB1 2538   1.284  -0.310   0.408
+  180LEU    HB2 2539   1.260  -0.462   0.501
+  180LEU     CG 2540   1.084  -0.392   0.398
+  180LEU     HG 2541   1.037  -0.493   0.406
+  180LEU    CD1 2542   1.036  -0.309   0.518
+  180LEU   HD11 2543   1.082  -0.208   0.518
+  180LEU   HD12 2544   1.064  -0.360   0.613
+  180LEU   HD13 2545   0.926  -0.298   0.516
+  180LEU    CD2 2546   1.038  -0.329   0.266
+  180LEU   HD21 2547   1.071  -0.391   0.179
+  180LEU   HD22 2548   1.078  -0.226   0.255
+  180LEU   HD23 2549   0.927  -0.326   0.262
+  180LEU      C 2550   1.446  -0.511   0.309
+  180LEU      O 2551   1.492  -0.593   0.387
+  181LYS      N 2552   1.526  -0.432   0.235
+  181LYS     HN 2553   1.486  -0.368   0.170
+  181LYS     CA 2554   1.669  -0.448   0.238
+  181LYS     HA 2555   1.691  -0.554   0.248
+  181LYS     CB 2556   1.729  -0.403   0.103
+  181LYS    HB1 2557   1.838  -0.386   0.111
+  181LYS    HB2 2558   1.681  -0.306   0.076
+  181LYS     CG 2559   1.704  -0.507  -0.007
+  181LYS    HG1 2560   1.596  -0.532  -0.013
+  181LYS    HG2 2561   1.757  -0.602   0.021
+  181LYS     CD 2562   1.753  -0.464  -0.146
+  181LYS    HD1 2563   1.743  -0.553  -0.212
+  181LYS    HD2 2564   1.861  -0.438  -0.139
+  181LYS     CE 2565   1.673  -0.348  -0.206
+  181LYS    HE1 2566   1.687  -0.255  -0.147
+  181LYS    HE2 2567   1.564  -0.374  -0.208
+  181LYS     NZ 2568   1.714  -0.319  -0.345
+  181LYS    HZ1 2569   1.706  -0.403  -0.405
+  181LYS    HZ2 2570   1.811  -0.284  -0.346
+  181LYS    HZ3 2571   1.651  -0.245  -0.386
+  181LYS      C 2572   1.737  -0.384   0.358
+  181LYS      O 2573   1.845  -0.424   0.398
+  182PHE      N 2574   1.669  -0.286   0.421
+  182PHE     HN 2575   1.579  -0.259   0.389
+  182PHE     CA 2576   1.717  -0.225   0.543
+  182PHE     HA 2577   1.789  -0.290   0.589
+  182PHE     CB 2578   1.780  -0.084   0.523
+  182PHE    HB1 2579   1.805  -0.038   0.620
+  182PHE    HB2 2580   1.709  -0.018   0.469
+  182PHE     CG 2581   1.907  -0.095   0.443
+  182PHE    CD1 2582   2.030  -0.119   0.507
+  182PHE    HD1 2583   2.032  -0.130   0.615
+  182PHE    CE1 2584   2.148  -0.131   0.434
+  182PHE    HE1 2585   2.241  -0.152   0.484
+  182PHE     CZ 2586   2.145  -0.117   0.294
+  182PHE     HZ 2587   2.237  -0.127   0.237
+  182PHE    CD2 2588   1.906  -0.078   0.304
+  182PHE    HD2 2589   1.813  -0.058   0.254
+  182PHE    CE2 2590   2.024  -0.090   0.229
+  182PHE    HE2 2591   2.021  -0.078   0.122
+  182PHE      C 2592   1.604  -0.214   0.643
+  182PHE      O 2593   1.500  -0.152   0.615
+  183ILE      N 2594   1.621  -0.272   0.762
+  183ILE     HN 2595   1.709  -0.317   0.783
+  183ILE     CA 2596   1.523  -0.273   0.870
+  183ILE     HA 2597   1.448  -0.198   0.850
+  183ILE     CB 2598   1.451  -0.407   0.887
+  183ILE     HB 2599   1.526  -0.487   0.910
+  183ILE    CG2 2600   1.350  -0.398   1.004
+  183ILE   HG21 2601   1.275  -0.318   0.985
+  183ILE   HG22 2602   1.400  -0.377   1.101
+  183ILE   HG23 2603   1.295  -0.494   1.016
+  183ILE    CG1 2604   1.379  -0.450   0.756
+  183ILE   HG11 2605   1.452  -0.449   0.671
+  183ILE   HG12 2606   1.300  -0.375   0.732
+  183ILE     CD 2607   1.318  -0.590   0.761
+  183ILE    HD1 2608   1.237  -0.596   0.836
+  183ILE    HD2 2609   1.395  -0.666   0.786
+  183ILE    HD3 2610   1.274  -0.618   0.662
+  183ILE      C 2611   1.598  -0.235   0.997
+  183ILE      O 2612   1.701  -0.292   1.030
+  184ASN      N 2613   1.549  -0.131   1.069
+  184ASN     HN 2614   1.464  -0.089   1.041
+  184ASN     CA 2615   1.606  -0.084   1.195
+  184ASN     HA 2616   1.548   0.003   1.222
+  184ASN     CB 2617   1.595  -0.185   1.313
+  184ASN    HB1 2618   1.652  -0.149   1.401
+  184ASN    HB2 2619   1.637  -0.284   1.283
+  184ASN     CG 2620   1.450  -0.201   1.354
+  184ASN    OD1 2621   1.355  -0.166   1.286
+  184ASN    ND2 2622   1.432  -0.254   1.478
+  184ASN   HD21 2623   1.337  -0.268   1.505
+  184ASN   HD22 2624   1.512  -0.284   1.529
+  184ASN      C 2625   1.748  -0.030   1.185
+  184ASN      O 2626   1.829  -0.038   1.276
+  185GLY      N 2627   1.779   0.031   1.068
+  185GLY     HN 2628   1.712   0.028   0.996
+  185GLY     CA 2629   1.909   0.090   1.040
+  185GLY    HA1 2630   1.939   0.152   1.123
+  185GLY    HA2 2631   1.901   0.145   0.947
+  185GLY      C 2632   2.019  -0.011   1.020
+  185GLY      O 2633   2.135   0.020   1.029
+  186GLN      N 2634   1.979  -0.137   0.991
+  186GLN     HN 2635   1.882  -0.160   0.987
+  186GLN     CA 2636   2.067  -0.247   0.966
+  186GLN     HA 2637   2.169  -0.214   0.955
+  186GLN     CB 2638   2.057  -0.356   1.076
+  186GLN    HB1 2639   2.137  -0.431   1.055
+  186GLN    HB2 2640   1.958  -0.407   1.069
+  186GLN     CG 2641   2.076  -0.303   1.219
+  186GLN    HG1 2642   1.993  -0.237   1.249
+  186GLN    HG2 2643   2.171  -0.245   1.226
+  186GLN     CD 2644   2.086  -0.419   1.318
+  186GLN    OE1 2645   2.189  -0.439   1.383
+  186GLN    NE2 2646   1.978  -0.499   1.330
+  186GLN   HE21 2647   1.985  -0.577   1.392
+  186GLN   HE22 2648   1.898  -0.481   1.274
+  186GLN      C 2649   2.020  -0.308   0.836
+  186GLN      O 2650   1.907  -0.280   0.792
+  187ALA      N 2651   2.102  -0.389   0.770
+  187ALA     HN 2652   2.194  -0.411   0.805
+  187ALA     CA 2653   2.059  -0.461   0.652
+  187ALA     HA 2654   1.993  -0.397   0.595
+  187ALA     CB 2655   2.179  -0.497   0.563
+  187ALA    HB1 2656   2.247  -0.567   0.614
+  187ALA    HB2 2657   2.235  -0.404   0.539
+  187ALA    HB3 2658   2.146  -0.542   0.466
+  187ALA      C 2659   1.981  -0.586   0.689
+  187ALA      O 2660   1.964  -0.618   0.806
+  188ASN      N 2661   1.929  -0.656   0.587
+  188ASN     HN 2662   1.937  -0.621   0.495
+  188ASN     CA 2663   1.851  -0.777   0.605
+  188ASN     HA 2664   1.847  -0.803   0.711
+  188ASN     CB 2665   1.709  -0.752   0.549
+  188ASN    HB1 2666   1.707  -0.761   0.439
+  188ASN    HB2 2667   1.679  -0.648   0.576
+  188ASN     CG 2668   1.605  -0.845   0.612
+  188ASN    OD1 2669   1.632  -0.923   0.704
+  188ASN    ND2 2670   1.480  -0.837   0.561
+  188ASN   HD21 2671   1.408  -0.891   0.603
+  188ASN   HD22 2672   1.462  -0.771   0.487
+  188ASN      C 2673   1.922  -0.892   0.535
+  188ASN      O 2674   1.862  -0.993   0.498
+  189VAL      N 2675   2.054  -0.878   0.512
+  189VAL     HN 2676   2.099  -0.798   0.549
+  189VAL     CA 2677   2.140  -0.975   0.444
+  189VAL     HA 2678   2.093  -0.995   0.349
+  189VAL     CB 2679   2.279  -0.918   0.415
+  189VAL     HB 2680   2.266  -0.829   0.349
+  189VAL    CG1 2681   2.351  -0.871   0.544
+  189VAL   HG11 2682   2.364  -0.955   0.615
+  189VAL   HG12 2683   2.295  -0.791   0.595
+  189VAL   HG13 2684   2.452  -0.833   0.520
+  189VAL    CG2 2685   2.365  -1.021   0.339
+  189VAL   HG21 2686   2.309  -1.064   0.254
+  189VAL   HG22 2687   2.395  -1.105   0.406
+  189VAL   HG23 2688   2.458  -0.973   0.301
+  189VAL      C 2689   2.146  -1.109   0.514
+  189VAL      O 2690   2.147  -1.215   0.449
+  190GLU      N 2691   2.148  -1.113   0.649
+  190GLU     HN 2692   2.146  -1.027   0.702
+  190GLU     CA 2693   2.143  -1.236   0.724
+  190GLU     HA 2694   2.222  -1.299   0.685
+  190GLU     CB 2695   2.170  -1.216   0.874
+  190GLU    HB1 2696   2.153  -1.312   0.929
+  190GLU    HB2 2697   2.096  -1.143   0.913
+  190GLU     CG 2698   2.314  -1.169   0.905
+  190GLU    HG1 2699   2.338  -1.080   0.844
+  190GLU    HG2 2700   2.385  -1.250   0.879
+  190GLU     CD 2701   2.331  -1.131   1.052
+  190GLU    OE1 2702   2.289  -1.211   1.140
+  190GLU    OE2 2703   2.384  -1.020   1.078
+  190GLU      C 2704   2.015  -1.314   0.706
+  190GLU      O 2705   1.903  -1.267   0.739
+  191GLY      N 2706   2.023  -1.436   0.654
+  191GLY     HN 2707   2.114  -1.468   0.623
+  191GLY     CA 2708   1.908  -1.521   0.627
+  191GLY    HA1 2709   1.836  -1.510   0.707
+  191GLY    HA2 2710   1.944  -1.621   0.615
+  191GLY      C 2711   1.837  -1.486   0.500
+  191GLY      O 2712   1.717  -1.513   0.487
+  192TRP      N 2713   1.909  -1.428   0.403
+  192TRP     HN 2714   2.006  -1.407   0.416
+  192TRP     CA 2715   1.853  -1.387   0.276
+  192TRP     HA 2716   1.752  -1.354   0.294
+  192TRP     CB 2717   1.933  -1.267   0.218
+  192TRP    HB1 2718   2.037  -1.300   0.198
+  192TRP    HB2 2719   1.938  -1.190   0.299
+  192TRP     CG 2720   1.876  -1.202   0.096
+  192TRP    CD1 2721   1.905  -1.232  -0.035
+  192TRP    HD1 2722   1.971  -1.313  -0.065
+  192TRP    NE1 2723   1.835  -1.149  -0.118
+  192TRP    HE1 2724   1.835  -1.151  -0.217
+  192TRP    CE2 2725   1.758  -1.064  -0.044
+  192TRP    CD2 2726   1.782  -1.094   0.093
+  192TRP    CE3 2727   1.717  -1.019   0.191
+  192TRP    HE3 2728   1.733  -1.040   0.296
+  192TRP    CZ3 2729   1.628  -0.918   0.153
+  192TRP    HZ3 2730   1.574  -0.862   0.228
+  192TRP    CZ2 2731   1.671  -0.963  -0.082
+  192TRP    HZ2 2732   1.651  -0.943  -0.186
+  192TRP    CH2 2733   1.605  -0.891   0.018
+  192TRP    HH2 2734   1.533  -0.814  -0.009
+  192TRP      C 2735   1.847  -1.501   0.176
+  192TRP      O 2736   1.946  -1.561   0.139
+  193GLU      N 2737   1.723  -1.529   0.129
+  193GLU     HN 2738   1.645  -1.479   0.165
+  193GLU     CA 2739   1.697  -1.627   0.026
+  193GLU     HA 2740   1.786  -1.684   0.003
+  193GLU     CB 2741   1.588  -1.728   0.071
+  193GLU    HB1 2742   1.552  -1.787  -0.016
+  193GLU    HB2 2743   1.502  -1.670   0.111
+  193GLU     CG 2744   1.635  -1.827   0.181
+  193GLU    HG1 2745   1.548  -1.886   0.215
+  193GLU    HG2 2746   1.677  -1.770   0.267
+  193GLU     CD 2747   1.741  -1.928   0.136
+  193GLU    OE1 2748   1.720  -1.990   0.026
+  193GLU    OE2 2749   1.835  -1.953   0.213
+  193GLU      C 2750   1.649  -1.553  -0.096
+  193GLU      O 2751   1.539  -1.490  -0.088
+  194PRO      N 2752   1.717  -1.546  -0.208
+  194PRO     CD 2753   1.856  -1.594  -0.222
+  194PRO    HD1 2754   1.852  -1.705  -0.233
+  194PRO    HD2 2755   1.918  -1.565  -0.135
+  194PRO     CA 2756   1.666  -1.498  -0.335
+  194PRO     HA 2757   1.649  -1.391  -0.323
+  194PRO     CB 2758   1.777  -1.528  -0.436
+  194PRO    HB1 2759   1.782  -1.452  -0.516
+  194PRO    HB2 2760   1.763  -1.628  -0.482
+  194PRO     CG 2761   1.904  -1.530  -0.351
+  194PRO    HG1 2762   1.986  -1.586  -0.400
+  194PRO    HG2 2763   1.936  -1.425  -0.331
+  194PRO      C 2764   1.531  -1.556  -0.377
+  194PRO      O 2765   1.507  -1.677  -0.362
+  195SER      N 2766   1.441  -1.472  -0.429
+  195SER     HN 2767   1.457  -1.373  -0.434
+  195SER     CA 2768   1.317  -1.517  -0.490
+  195SER     HA 2769   1.269  -1.583  -0.420
+  195SER     CB 2770   1.218  -1.402  -0.520
+  195SER    HB1 2771   1.127  -1.440  -0.572
+  195SER    HB2 2772   1.268  -1.326  -0.584
+  195SER     OG 2773   1.177  -1.343  -0.397
+  195SER    HG1 2774   1.152  -1.251  -0.418
+  195SER      C 2775   1.341  -1.596  -0.617
+  195SER      O 2776   1.431  -1.570  -0.695
+  196SER      N 2777   1.257  -1.699  -0.640
+  196SER     HN 2778   1.184  -1.722  -0.576
+  196SER     CA 2779   1.281  -1.794  -0.748
+  196SER     HA 2780   1.387  -1.803  -0.766
+  196SER     CB 2781   1.224  -1.933  -0.711
+  196SER    HB1 2782   1.247  -2.007  -0.790
+  196SER    HB2 2783   1.113  -1.927  -0.701
+  196SER     OG 2784   1.279  -1.978  -0.586
+  196SER    HG1 2785   1.374  -1.988  -0.600
+  196SER      C 2786   1.215  -1.751  -0.877
+  196SER      O 2787   1.247  -1.802  -0.984
+  197ASN      N 2788   1.122  -1.654  -0.869
+  197ASN     HN 2789   1.096  -1.614  -0.781
+  197ASN     CA 2790   1.045  -1.605  -0.982
+  197ASN     HA 2791   1.078  -1.653  -1.073
+  197ASN     CB 2792   0.894  -1.634  -0.960
+  197ASN    HB1 2793   0.883  -1.743  -0.945
+  197ASN    HB2 2794   0.837  -1.604  -1.051
+  197ASN     CG 2795   0.830  -1.567  -0.838
+  197ASN    OD1 2796   0.899  -1.523  -0.743
+  197ASN    ND2 2797   0.696  -1.559  -0.837
+  197ASN   HD21 2798   0.648  -1.519  -0.759
+  197ASN   HD22 2799   0.644  -1.589  -0.918
+  197ASN      C 2800   1.066  -1.456  -1.003
+  197ASN      O 2801   1.002  -1.398  -1.090
+  198ASN      N 2802   1.153  -1.391  -0.925
+  198ASN     HN 2803   1.210  -1.440  -0.859
+  198ASN     CA 2804   1.173  -1.249  -0.933
+  198ASN     HA 2805   1.146  -1.214  -1.032
+  198ASN     CB 2806   1.086  -1.175  -0.827
+  198ASN    HB1 2807   1.121  -1.203  -0.725
+  198ASN    HB2 2808   0.982  -1.212  -0.838
+  198ASN     CG 2809   1.088  -1.022  -0.837
+  198ASN    OD1 2810   1.184  -0.961  -0.887
+  198ASN    ND2 2811   0.979  -0.957  -0.790
+  198ASN   HD21 2812   0.973  -0.859  -0.805
+  198ASN   HD22 2813   0.898  -1.009  -0.765
+  198ASN      C 2814   1.322  -1.225  -0.916
+  198ASN      O 2815   1.388  -1.280  -0.831
+  199ALA      N 2816   1.377  -1.140  -1.004
+  199ALA     HN 2817   1.317  -1.092  -1.068
+  199ALA     CA 2818   1.519  -1.119  -1.017
+  199ALA     HA 2819   1.572  -1.205  -0.979
+  199ALA     CB 2820   1.549  -1.098  -1.166
+  199ALA    HB1 2821   1.494  -1.010  -1.204
+  199ALA    HB2 2822   1.517  -1.187  -1.223
+  199ALA    HB3 2823   1.658  -1.082  -1.184
+  199ALA      C 2824   1.566  -0.998  -0.939
+  199ALA      O 2825   1.683  -0.961  -0.947
+  200ASN      N 2826   1.476  -0.933  -0.862
+  200ASN     HN 2827   1.380  -0.962  -0.863
+  200ASN     CA 2828   1.510  -0.815  -0.785
+  200ASN     HA 2829   1.617  -0.801  -0.783
+  200ASN     CB 2830   1.440  -0.691  -0.846
+  200ASN    HB1 2831   1.455  -0.601  -0.783
+  200ASN    HB2 2832   1.331  -0.709  -0.857
+  200ASN     CG 2833   1.496  -0.661  -0.984
+  200ASN    OD1 2834   1.428  -0.664  -1.087
+  200ASN    ND2 2835   1.627  -0.629  -0.990
+  200ASN   HD21 2836   1.660  -0.605  -1.082
+  200ASN   HD22 2837   1.685  -0.644  -0.911
+  200ASN      C 2838   1.471  -0.827  -0.638
+  200ASN      O 2839   1.494  -0.735  -0.561
+  201THR      N 2840   1.416  -0.943  -0.594
+  201THR     HN 2841   1.406  -1.022  -0.653
+  201THR     CA 2842   1.365  -0.959  -0.458
+  201THR     HA 2843   1.402  -0.878  -0.396
+  201THR     CB 2844   1.212  -0.961  -0.444
+  201THR     HB 2845   1.183  -0.967  -0.336
+  201THR    OG1 2846   1.150  -1.069  -0.513
+  201THR    HG1 2847   1.056  -1.053  -0.501
+  201THR    CG2 2848   1.155  -0.830  -0.500
+  201THR   HG21 2849   1.180  -0.816  -0.607
+  201THR   HG22 2850   1.196  -0.745  -0.442
+  201THR   HG23 2851   1.044  -0.826  -0.490
+  201THR      C 2852   1.419  -1.085  -0.396
+  201THR      O 2853   1.462  -1.179  -0.463
+  202GLY      N 2854   1.417  -1.088  -0.262
+  202GLY     HN 2855   1.383  -1.011  -0.208
+  202GLY     CA 2856   1.443  -1.206  -0.184
+  202GLY    HA1 2857   1.549  -1.213  -0.164
+  202GLY    HA2 2858   1.400  -1.293  -0.232
+  202GLY      C 2859   1.372  -1.187  -0.056
+  202GLY      O 2860   1.300  -1.088  -0.038
+  203ILE      N 2861   1.389  -1.281   0.036
+  203ILE     HN 2862   1.447  -1.361   0.015
+  203ILE     CA 2863   1.327  -1.279   0.167
+  203ILE     HA 2864   1.277  -1.184   0.184
+  203ILE     CB 2865   1.225  -1.392   0.184
+  203ILE     HB 2866   1.275  -1.488   0.157
+  203ILE    CG2 2867   1.177  -1.401   0.331
+  203ILE   HG21 2868   1.131  -1.306   0.362
+  203ILE   HG22 2869   1.261  -1.425   0.400
+  203ILE   HG23 2870   1.102  -1.482   0.343
+  203ILE    CG1 2871   1.107  -1.371   0.086
+  203ILE   HG11 2872   1.146  -1.361  -0.017
+  203ILE   HG12 2873   1.058  -1.274   0.112
+  203ILE     CD 2874   1.003  -1.484   0.088
+  203ILE    HD1 2875   0.952  -1.490   0.187
+  203ILE    HD2 2876   1.052  -1.582   0.068
+  203ILE    HD3 2877   0.925  -1.467   0.011
+  203ILE      C 2878   1.439  -1.289   0.267
+  203ILE      O 2879   1.514  -1.386   0.268
+  204GLY      N 2880   1.455  -1.186   0.353
+  204GLY     HN 2881   1.395  -1.106   0.347
+  204GLY     CA 2882   1.553  -1.185   0.460
+  204GLY    HA1 2883   1.576  -1.082   0.481
+  204GLY    HA2 2884   1.642  -1.238   0.428
+  204GLY      C 2885   1.508  -1.248   0.588
+  204GLY      O 2886   1.400  -1.312   0.599
+  205GLY      N 2887   1.589  -1.233   0.693
+  205GLY     HN 2888   1.674  -1.180   0.683
+  205GLY     CA 2889   1.564  -1.293   0.824
+  205GLY    HA1 2890   1.660  -1.299   0.874
+  205GLY    HA2 2891   1.518  -1.389   0.810
+  205GLY      C 2892   1.475  -1.211   0.912
+  205GLY      O 2893   1.411  -1.265   1.003
+  206HSD      N 2894   1.469  -1.079   0.891
+  206HSD     HN 2895   1.522  -1.038   0.817
+  206HSD     CA 2896   1.389  -0.988   0.970
+  206HSD     HA 2897   1.348  -1.038   1.057
+  206HSD     CB 2898   1.470  -0.865   1.016
+  206HSD    HB1 2899   1.407  -0.797   1.077
+  206HSD    HB2 2900   1.505  -0.809   0.926
+  206HSD    ND1 2901   1.710  -0.832   1.092
+  206HSD    HD1 2902   1.730  -0.754   1.033
+  206HSD     CG 2903   1.592  -0.901   1.097
+  206HSD    CE1 2904   1.798  -0.896   1.174
+  206HSD    HE1 2905   1.899  -0.861   1.194
+  206HSD    NE2 2906   1.744  -1.003   1.229
+  206HSD    CD2 2907   1.613  -1.005   1.183
+  206HSD    HD2 2908   1.544  -1.081   1.217
+  206HSD      C 2909   1.273  -0.937   0.888
+  206HSD      O 2910   1.279  -0.933   0.765
+  207GLY      N 2911   1.164  -0.896   0.956
+  207GLY     HN 2912   1.162  -0.906   1.056
+  207GLY     CA 2913   1.050  -0.829   0.896
+  207GLY    HA1 2914   0.964  -0.893   0.905
+  207GLY    HA2 2915   1.072  -0.801   0.794
+  207GLY      C 2916   1.022  -0.701   0.971
+  207GLY      O 2917   1.087  -0.670   1.069
+  208SER      N 2918   0.922  -0.624   0.924
+  208SER     HN 2919   0.871  -0.651   0.843
+  208SER     CA 2920   0.890  -0.495   0.986
+  208SER     HA 2921   0.929  -0.492   1.087
+  208SER     CB 2922   0.952  -0.380   0.903
+  208SER    HB1 2923   0.903  -0.375   0.803
+  208SER    HB2 2924   1.059  -0.406   0.886
+  208SER     OG 2925   0.948  -0.252   0.966
+  208SER    HG1 2926   0.939  -0.189   0.892
+  208SER      C 2927   0.740  -0.480   0.998
+  208SER      O 2928   0.671  -0.447   0.900
+  209CYS      N 2929   0.683  -0.503   1.117
+  209CYS     HN 2930   0.741  -0.519   1.197
+  209CYS     CA 2931   0.540  -0.498   1.143
+  209CYS     HA 2932   0.485  -0.530   1.055
+  209CYS     CB 2933   0.500  -0.585   1.266
+  209CYS    HB1 2934   0.395  -0.563   1.296
+  209CYS    HB2 2935   0.564  -0.555   1.352
+  209CYS     SG 2936   0.512  -0.765   1.247
+  209CYS      C 2937   0.496  -0.357   1.179
+  209CYS      O 2938   0.565  -0.287   1.251
+  210CYS      N 2939   0.376  -0.315   1.132
+  210CYS     HN 2940   0.326  -0.366   1.061
+  210CYS     CA 2941   0.301  -0.208   1.196
+  210CYS     HA 2942   0.300  -0.229   1.302
+  210CYS     CB 2943   0.357  -0.064   1.176
+  210CYS    HB1 2944   0.461  -0.064   1.215
+  210CYS    HB2 2945   0.300   0.007   1.240
+  210CYS     SG 2946   0.359  -0.001   1.006
+  210CYS      C 2947   0.157  -0.213   1.152
+  210CYS      O 2948   0.122  -0.283   1.057
+  211SER      N 2949   0.068  -0.141   1.223
+  211SER     HN 2950   0.101  -0.085   1.299
+  211SER     CA 2951  -0.072  -0.126   1.186
+  211SER     HA 2952  -0.115  -0.225   1.177
+  211SER     CB 2953  -0.154  -0.046   1.291
+  211SER    HB1 2954  -0.261  -0.038   1.260
+  211SER    HB2 2955  -0.112   0.057   1.299
+  211SER     OG 2956  -0.148  -0.109   1.419
+  211SER    HG1 2957  -0.054  -0.115   1.439
+  211SER      C 2958  -0.094  -0.056   1.053
+  211SER      O 2959  -0.018   0.034   1.016
+  212GLU      N 2960  -0.200  -0.095   0.980
+  212GLU     HN 2961  -0.264  -0.164   1.013
+  212GLU     CA 2962  -0.220  -0.056   0.843
+  212GLU     HA 2963  -0.169   0.038   0.824
+  212GLU     CB 2964  -0.159  -0.163   0.749
+  212GLU    HB1 2965  -0.192  -0.264   0.783
+  212GLU    HB2 2966  -0.049  -0.159   0.762
+  212GLU     CG 2967  -0.193  -0.152   0.599
+  212GLU    HG1 2968  -0.180  -0.048   0.562
+  212GLU    HG2 2969  -0.297  -0.184   0.576
+  212GLU     CD 2970  -0.098  -0.243   0.521
+  212GLU    OE1 2971  -0.087  -0.364   0.557
+  212GLU    OE2 2972  -0.028  -0.190   0.431
+  212GLU      C 2973  -0.366  -0.032   0.813
+  212GLU      O 2974  -0.455  -0.100   0.865
+  213MET      N 2975  -0.395   0.071   0.732
+  213MET     HN 2976  -0.319   0.123   0.691
+  213MET     CA 2977  -0.528   0.101   0.687
+  213MET     HA 2978  -0.598   0.024   0.718
+  213MET     CB 2979  -0.572   0.241   0.737
+  213MET    HB1 2980  -0.505   0.318   0.695
+  213MET    HB2 2981  -0.558   0.247   0.847
+  213MET     CG 2982  -0.718   0.278   0.701
+  213MET    HG1 2983  -0.728   0.282   0.591
+  213MET    HG2 2984  -0.736   0.381   0.739
+  213MET     SD 2985  -0.841   0.165   0.771
+  213MET     CE 2986  -0.922   0.121   0.616
+  213MET    HE1 2987  -0.854   0.060   0.553
+  213MET    HE2 2988  -0.952   0.211   0.558
+  213MET    HE3 2989  -1.013   0.059   0.634
+  213MET      C 2990  -0.527   0.105   0.536
+  213MET      O 2991  -0.484   0.204   0.477
+  214ASP      N 2992  -0.583   0.003   0.469
+  214ASP     HN 2993  -0.618  -0.080   0.513
+  214ASP     CA 2994  -0.603   0.006   0.326
+  214ASP     HA 2995  -0.522   0.062   0.280
+  214ASP     CB 2996  -0.610  -0.134   0.263
+  214ASP    HB1 2997  -0.666  -0.133   0.166
+  214ASP    HB2 2998  -0.658  -0.207   0.331
+  214ASP     CG 2999  -0.471  -0.180   0.227
+  214ASP    OD1 3000  -0.408  -0.106   0.146
+  214ASP    OD2 3001  -0.431  -0.289   0.269
+  214ASP      C 3002  -0.729   0.081   0.295
+  214ASP      O 3003  -0.842   0.031   0.305
+  215ILE      N 3004  -0.715   0.209   0.259
+  215ILE     HN 3005  -0.623   0.247   0.256
+  215ILE     CA 3006  -0.823   0.289   0.205
+  215ILE     HA 3007  -0.906   0.285   0.275
+  215ILE     CB 3008  -0.780   0.434   0.182
+  215ILE     HB 3009  -0.698   0.435   0.106
+  215ILE    CG2 3010  -0.897   0.517   0.123
+  215ILE   HG21 3011  -0.986   0.507   0.189
+  215ILE   HG22 3012  -0.924   0.481   0.022
+  215ILE   HG23 3013  -0.867   0.623   0.116
+  215ILE    CG1 3014  -0.721   0.500   0.309
+  215ILE   HG11 3015  -0.676   0.597   0.277
+  215ILE   HG12 3016  -0.637   0.438   0.348
+  215ILE     CD 3017  -0.823   0.526   0.420
+  215ILE    HD1 3018  -0.874   0.431   0.448
+  215ILE    HD2 3019  -0.900   0.599   0.388
+  215ILE    HD3 3020  -0.771   0.565   0.510
+  215ILE      C 3021  -0.873   0.232   0.073
+  215ILE      O 3022  -0.991   0.224   0.046
+  216TRP      N 3023  -0.775   0.194  -0.011
+  216TRP     HN 3024  -0.679   0.197   0.015
+  216TRP     CA 3025  -0.803   0.156  -0.147
+  216TRP     HA 3026  -0.901   0.112  -0.154
+  216TRP     CB 3027  -0.787   0.283  -0.234
+  216TRP    HB1 3028  -0.681   0.317  -0.229
+  216TRP    HB2 3029  -0.847   0.362  -0.185
+  216TRP     CG 3030  -0.830   0.275  -0.377
+  216TRP    CD1 3031  -0.750   0.287  -0.488
+  216TRP    HD1 3032  -0.642   0.287  -0.486
+  216TRP    NE1 3033  -0.829   0.287  -0.601
+  216TRP    HE1 3034  -0.798   0.276  -0.693
+  216TRP    CE2 3035  -0.960   0.272  -0.565
+  216TRP    CD2 3036  -0.965   0.263  -0.424
+  216TRP    CE3 3037  -1.087   0.245  -0.360
+  216TRP    HE3 3038  -1.093   0.233  -0.253
+  216TRP    CZ3 3039  -1.202   0.234  -0.438
+  216TRP    HZ3 3040  -1.297   0.212  -0.390
+  216TRP    CZ2 3041  -1.075   0.263  -0.642
+  216TRP    HZ2 3042  -1.071   0.266  -0.750
+  216TRP    CH2 3043  -1.196   0.243  -0.577
+  216TRP    HH2 3044  -1.287   0.229  -0.634
+  216TRP      C 3045  -0.700   0.055  -0.190
+  216TRP      O 3046  -0.581   0.078  -0.181
+  217GLU      N 3047  -0.750  -0.057  -0.244
+  217GLU     HN 3048  -0.848  -0.075  -0.243
+  217GLU     CA 3049  -0.672  -0.149  -0.321
+  217GLU     HA 3050  -0.581  -0.105  -0.358
+  217GLU     CB 3051  -0.646  -0.280  -0.244
+  217GLU    HB1 3052  -0.604  -0.356  -0.313
+  217GLU    HB2 3053  -0.743  -0.319  -0.206
+  217GLU     CG 3054  -0.552  -0.261  -0.124
+  217GLU    HG1 3055  -0.596  -0.193  -0.047
+  217GLU    HG2 3056  -0.454  -0.217  -0.154
+  217GLU     CD 3057  -0.529  -0.394  -0.062
+  217GLU    OE1 3058  -0.615  -0.459   0.007
+  217GLU    OE2 3059  -0.407  -0.450  -0.087
+  217GLU    HE2 3060  -0.393  -0.518  -0.022
+  217GLU      C 3061  -0.763  -0.180  -0.435
+  217GLU      O 3062  -0.873  -0.228  -0.414
+  218ALA      N 3063  -0.724  -0.148  -0.559
+  218ALA     HN 3064  -0.634  -0.110  -0.579
+  218ALA     CA 3065  -0.817  -0.167  -0.667
+  218ALA     HA 3066  -0.866  -0.263  -0.653
+  218ALA     CB 3067  -0.924  -0.055  -0.672
+  218ALA    HB1 3068  -0.878   0.041  -0.700
+  218ALA    HB2 3069  -0.972  -0.044  -0.573
+  218ALA    HB3 3070  -1.003  -0.080  -0.745
+  218ALA      C 3071  -0.750  -0.174  -0.801
+  218ALA      O 3072  -0.638  -0.127  -0.825
+  219ASN      N 3073  -0.824  -0.233  -0.894
+  219ASN     HN 3074  -0.911  -0.275  -0.867
+  219ASN     CA 3075  -0.798  -0.225  -1.035
+  219ASN     HA 3076  -0.734  -0.140  -1.054
+  219ASN     CB 3077  -0.727  -0.353  -1.089
+  219ASN    HB1 3078  -0.626  -0.354  -1.043
+  219ASN    HB2 3079  -0.714  -0.349  -1.198
+  219ASN     CG 3080  -0.799  -0.484  -1.054
+  219ASN    OD1 3081  -0.920  -0.489  -1.039
+  219ASN    ND2 3082  -0.718  -0.594  -1.044
+  219ASN   HD21 3083  -0.756  -0.684  -1.025
+  219ASN   HD22 3084  -0.619  -0.581  -1.046
+  219ASN      C 3085  -0.932  -0.190  -1.097
+  219ASN      O 3086  -1.022  -0.138  -1.031
+  220SER      N 3087  -0.949  -0.214  -1.228
+  220SER     HN 3088  -0.875  -0.250  -1.284
+  220SER     CA 3089  -1.076  -0.185  -1.293
+  220SER     HA 3090  -1.112  -0.091  -1.254
+  220SER     CB 3091  -1.063  -0.170  -1.447
+  220SER    HB1 3092  -0.990  -0.088  -1.467
+  220SER    HB2 3093  -1.160  -0.139  -1.491
+  220SER     OG 3094  -1.016  -0.288  -1.512
+  220SER    HG1 3095  -0.925  -0.300  -1.482
+  220SER      C 3096  -1.185  -0.287  -1.264
+  220SER      O 3097  -1.302  -0.261  -1.294
+  221ILE      N 3098  -1.150  -0.404  -1.206
+  221ILE     HN 3099  -1.056  -0.420  -1.176
+  221ILE     CA 3100  -1.242  -0.514  -1.186
+  221ILE     HA 3101  -1.328  -0.502  -1.250
+  221ILE     CB 3102  -1.174  -0.647  -1.221
+  221ILE     HB 3103  -1.085  -0.662  -1.154
+  221ILE    CG2 3104  -1.271  -0.766  -1.195
+  221ILE   HG21 3105  -1.367  -0.749  -1.246
+  221ILE   HG22 3106  -1.290  -0.778  -1.086
+  221ILE   HG23 3107  -1.226  -0.860  -1.232
+  221ILE    CG1 3108  -1.121  -0.647  -1.367
+  221ILE   HG11 3109  -1.077  -0.747  -1.387
+  221ILE   HG12 3110  -1.039  -0.573  -1.376
+  221ILE     CD 3111  -1.227  -0.618  -1.474
+  221ILE    HD1 3112  -1.270  -0.517  -1.459
+  221ILE    HD2 3113  -1.309  -0.693  -1.469
+  221ILE    HD3 3114  -1.181  -0.622  -1.575
+  221ILE      C 3115  -1.298  -0.516  -1.045
+  221ILE      O 3116  -1.418  -0.527  -1.026
+  222SER      N 3117  -1.211  -0.500  -0.942
+  222SER     HN 3118  -1.113  -0.485  -0.959
+  222SER     CA 3119  -1.252  -0.510  -0.803
+  222SER     HA 3120  -1.357  -0.487  -0.795
+  222SER     CB 3121  -1.227  -0.651  -0.742
+  222SER    HB1 3122  -1.255  -0.652  -0.634
+  222SER    HB2 3123  -1.120  -0.677  -0.750
+  222SER     OG 3124  -1.306  -0.752  -0.806
+  222SER    HG1 3125  -1.313  -0.825  -0.742
+  222SER      C 3126  -1.180  -0.408  -0.718
+  222SER      O 3127  -1.081  -0.347  -0.762
+  223GLU      N 3128  -1.231  -0.384  -0.596
+  223GLU     HN 3129  -1.310  -0.434  -0.560
+  223GLU     CA 3130  -1.177  -0.289  -0.501
+  223GLU     HA 3131  -1.070  -0.286  -0.514
+  223GLU     CB 3132  -1.236  -0.146  -0.517
+  223GLU    HB1 3133  -1.211  -0.116  -0.622
+  223GLU    HB2 3134  -1.183  -0.074  -0.450
+  223GLU     CG 3135  -1.391  -0.132  -0.501
+  223GLU    HG1 3136  -1.439  -0.231  -0.512
+  223GLU    HG2 3137  -1.426  -0.069  -0.585
+  223GLU     CD 3138  -1.446  -0.064  -0.375
+  223GLU    OE1 3139  -1.368  -0.014  -0.287
+  223GLU    OE2 3140  -1.569  -0.050  -0.366
+  223GLU      C 3141  -1.203  -0.341  -0.361
+  223GLU      O 3142  -1.288  -0.428  -0.341
+  224ALA      N 3143  -1.126  -0.293  -0.261
+  224ALA     HN 3144  -1.055  -0.225  -0.279
+  224ALA     CA 3145  -1.139  -0.336  -0.124
+  224ALA     HA 3146  -1.243  -0.359  -0.105
+  224ALA     CB 3147  -1.053  -0.462  -0.096
+  224ALA    HB1 3148  -0.945  -0.441  -0.112
+  224ALA    HB2 3149  -1.084  -0.544  -0.164
+  224ALA    HB3 3150  -1.067  -0.497   0.009
+  224ALA      C 3151  -1.101  -0.224  -0.028
+  224ALA      O 3152  -1.028  -0.130  -0.062
+  225LEU      N 3153  -1.156  -0.231   0.094
+  225LEU     HN 3154  -1.217  -0.308   0.114
+  225LEU     CA 3155  -1.133  -0.140   0.204
+  225LEU     HA 3156  -1.045  -0.080   0.186
+  225LEU     CB 3157  -1.260  -0.051   0.223
+  225LEU    HB1 3158  -1.348  -0.120   0.214
+  225LEU    HB2 3159  -1.265   0.019   0.137
+  225LEU     CG 3160  -1.276   0.027   0.356
+  225LEU     HG 3161  -1.271  -0.046   0.440
+  225LEU    CD1 3162  -1.166   0.131   0.376
+  225LEU   HD11 3163  -1.166   0.206   0.294
+  225LEU   HD12 3164  -1.066   0.081   0.376
+  225LEU   HD13 3165  -1.178   0.183   0.473
+  225LEU    CD2 3166  -1.414   0.094   0.363
+  225LEU   HD21 3167  -1.494   0.016   0.355
+  225LEU   HD22 3168  -1.426   0.166   0.280
+  225LEU   HD23 3169  -1.427   0.146   0.460
+  225LEU      C 3170  -1.107  -0.223   0.328
+  225LEU      O 3171  -1.197  -0.294   0.374
+  226THR      N 3172  -0.985  -0.218   0.384
+  226THR     HN 3173  -0.914  -0.159   0.347
+  226THR     CA 3174  -0.942  -0.317   0.483
+  226THR     HA 3175  -1.028  -0.371   0.521
+  226THR     CB 3176  -0.849  -0.423   0.424
+  226THR     HB 3177  -0.745  -0.385   0.409
+  226THR    OG1 3178  -0.896  -0.469   0.298
+  226THR    HG1 3179  -0.824  -0.523   0.263
+  226THR    CG2 3180  -0.845  -0.544   0.518
+  226THR   HG21 3181  -0.946  -0.585   0.536
+  226THR   HG22 3182  -0.798  -0.517   0.614
+  226THR   HG23 3183  -0.783  -0.625   0.473
+  226THR      C 3184  -0.870  -0.251   0.600
+  226THR      O 3185  -0.763  -0.188   0.579
+  227PRO      N 3186  -0.914  -0.257   0.724
+  227PRO     CD 3187  -1.057  -0.266   0.758
+  227PRO    HD1 3188  -1.097  -0.365   0.729
+  227PRO    HD2 3189  -1.112  -0.185   0.706
+  227PRO     CA 3190  -0.832  -0.221   0.839
+  227PRO     HA 3191  -0.758  -0.146   0.813
+  227PRO     CB 3192  -0.934  -0.171   0.943
+  227PRO    HB1 3193  -0.951  -0.063   0.926
+  227PRO    HB2 3194  -0.900  -0.186   1.047
+  227PRO     CG 3195  -1.063  -0.248   0.910
+  227PRO    HG1 3196  -1.060  -0.348   0.959
+  227PRO    HG2 3197  -1.153  -0.193   0.943
+  227PRO      C 3198  -0.757  -0.343   0.891
+  227PRO      O 3199  -0.813  -0.453   0.895
+  228HSD      N 3200  -0.631  -0.325   0.936
+  228HSD     HN 3201  -0.586  -0.236   0.927
+  228HSD     CA 3202  -0.549  -0.431   0.990
+  228HSD     HA 3203  -0.605  -0.524   0.995
+  228HSD     CB 3204  -0.426  -0.458   0.900
+  228HSD    HB1 3205  -0.357  -0.531   0.948
+  228HSD    HB2 3206  -0.371  -0.364   0.881
+  228HSD    ND1 3207  -0.461  -0.649   0.739
+  228HSD    HD1 3208  -0.425  -0.721   0.798
+  228HSD     CG 3209  -0.468  -0.515   0.769
+  228HSD    CE1 3210  -0.493  -0.661   0.608
+  228HSD    HE1 3211  -0.493  -0.756   0.554
+  228HSD    NE2 3212  -0.520  -0.545   0.554
+  228HSD    CD2 3213  -0.501  -0.452   0.654
+  228HSD    HD2 3214  -0.512  -0.346   0.631
+  228HSD      C 3215  -0.495  -0.394   1.128
+  228HSD      O 3216  -0.414  -0.301   1.139
+  229PRO      N 3217  -0.533  -0.460   1.236
+  229PRO     CD 3218  -0.654  -0.543   1.245
+  229PRO    HD1 3219  -0.647  -0.631   1.177
+  229PRO    HD2 3220  -0.742  -0.481   1.218
+  229PRO     CA 3221  -0.476  -0.433   1.367
+  229PRO     HA 3222  -0.449  -0.329   1.376
+  229PRO     CB 3223  -0.587  -0.476   1.465
+  229PRO    HB1 3224  -0.656  -0.390   1.481
+  229PRO    HB2 3225  -0.549  -0.509   1.564
+  229PRO     CG 3226  -0.662  -0.587   1.391
+  229PRO    HG1 3227  -0.607  -0.683   1.401
+  229PRO    HG2 3228  -0.766  -0.601   1.426
+  229PRO      C 3229  -0.351  -0.515   1.388
+  229PRO      O 3230  -0.333  -0.623   1.331
+  230CYS      N 3231  -0.261  -0.465   1.472
+  230CYS     HN 3232  -0.275  -0.376   1.514
+  230CYS     CA 3233  -0.145  -0.539   1.515
+  230CYS     HA 3234  -0.159  -0.645   1.497
+  230CYS     CB 3235  -0.014  -0.488   1.450
+  230CYS    HB1 3236   0.072  -0.548   1.486
+  230CYS    HB2 3237   0.003  -0.382   1.480
+  230CYS     SG 3238  -0.019  -0.491   1.269
+  230CYS      C 3239  -0.138  -0.518   1.664
+  230CYS      O 3240  -0.186  -0.417   1.717
+  231THR      N 3241  -0.079  -0.613   1.738
+  231THR     HN 3242  -0.042  -0.696   1.695
+  231THR     CA 3243  -0.064  -0.602   1.883
+  231THR     HA 3244  -0.163  -0.586   1.923
+  231THR     CB 3245  -0.010  -0.729   1.947
+  231THR     HB 3246  -0.002  -0.718   2.058
+  231THR    OG1 3247   0.116  -0.766   1.894
+  231THR    HG1 3248   0.181  -0.701   1.922
+  231THR    CG2 3249  -0.108  -0.845   1.917
+  231THR   HG21 3250  -0.112  -0.866   1.808
+  231THR   HG22 3251  -0.210  -0.820   1.952
+  231THR   HG23 3252  -0.074  -0.937   1.969
+  231THR      C 3253   0.019  -0.482   1.925
+  231THR      O 3254  -0.013  -0.408   2.019
+  232THR      N 3255   0.127  -0.456   1.848
+  232THR     HN 3256   0.145  -0.514   1.769
+  232THR     CA 3257   0.213  -0.340   1.861
+  232THR     HA 3258   0.196  -0.292   1.956
+  232THR     CB 3259   0.362  -0.373   1.851
+  232THR     HB 3260   0.384  -0.425   1.755
+  232THR    OG1 3261   0.400  -0.457   1.959
+  232THR    HG1 3262   0.486  -0.498   1.930
+  232THR    CG2 3263   0.447  -0.245   1.863
+  232THR   HG21 3264   0.424  -0.191   1.957
+  232THR   HG22 3265   0.431  -0.178   1.776
+  232THR   HG23 3266   0.554  -0.273   1.865
+  232THR      C 3267   0.173  -0.246   1.750
+  232THR      O 3268   0.177  -0.280   1.632
+  233VAL      N 3269   0.123  -0.126   1.786
+  233VAL     HN 3270   0.121  -0.101   1.882
+  233VAL     CA 3271   0.065  -0.031   1.692
+  233VAL     HA 3272  -0.013  -0.082   1.638
+  233VAL     CB 3273   0.001   0.086   1.768
+  233VAL     HB 3274   0.076   0.131   1.837
+  233VAL    CG1 3275  -0.050   0.197   1.673
+  233VAL   HG11 3276  -0.116   0.152   1.595
+  233VAL   HG12 3277   0.033   0.249   1.621
+  233VAL   HG13 3278  -0.109   0.273   1.729
+  233VAL    CG2 3279  -0.118   0.031   1.850
+  233VAL   HG21 3280  -0.087  -0.048   1.920
+  233VAL   HG22 3281  -0.194  -0.013   1.781
+  233VAL   HG23 3282  -0.167   0.113   1.907
+  233VAL      C 3283   0.162   0.021   1.587
+  233VAL      O 3284   0.129   0.026   1.468
+  234GLY      N 3285   0.284   0.059   1.628
+  234GLY     HN 3286   0.313   0.038   1.722
+  234GLY     CA 3287   0.383   0.121   1.542
+  234GLY    HA1 3288   0.437   0.190   1.602
+  234GLY    HA2 3289   0.335   0.168   1.457
+  234GLY      C 3290   0.484   0.025   1.490
+  234GLY      O 3291   0.473  -0.095   1.507
+  235GLN      N 3292   0.590   0.080   1.427
+  235GLN     HN 3293   0.593   0.178   1.410
+  235GLN     CA 3294   0.698   0.004   1.369
+  235GLN     HA 3295   0.655  -0.063   1.297
+  235GLN     CB 3296   0.792   0.101   1.292
+  235GLN    HB1 3297   0.843   0.171   1.362
+  235GLN    HB2 3298   0.725   0.163   1.227
+  235GLN     CG 3299   0.896   0.035   1.197
+  235GLN    HG1 3300   0.931   0.112   1.125
+  235GLN    HG2 3301   0.844  -0.044   1.139
+  235GLN     CD 3302   1.020  -0.023   1.267
+  235GLN    OE1 3303   1.085   0.038   1.352
+  235GLN    NE2 3304   1.058  -0.145   1.224
+  235GLN   HE21 3305   1.144  -0.183   1.263
+  235GLN   HE22 3306   1.008  -0.192   1.153
+  235GLN      C 3307   0.774  -0.081   1.471
+  235GLN      O 3308   0.817  -0.036   1.576
+  236GLU      N 3309   0.788  -0.212   1.438
+  236GLU     HN 3310   0.746  -0.246   1.354
+  236GLU     CA 3311   0.844  -0.312   1.525
+  236GLU     HA 3312   0.916  -0.266   1.590
+  236GLU     CB 3313   0.731  -0.381   1.608
+  236GLU    HB1 3314   0.655  -0.421   1.536
+  236GLU    HB2 3315   0.680  -0.301   1.667
+  236GLU     CG 3316   0.775  -0.495   1.702
+  236GLU    HG1 3317   0.849  -0.458   1.776
+  236GLU    HG2 3318   0.820  -0.578   1.645
+  236GLU     CD 3319   0.659  -0.555   1.782
+  236GLU    OE1 3320   0.566  -0.614   1.720
+  236GLU    OE2 3321   0.661  -0.544   1.907
+  236GLU      C 3322   0.917  -0.412   1.438
+  236GLU      O 3323   0.873  -0.446   1.327
+  237ILE      N 3324   1.034  -0.461   1.482
+  237ILE     HN 3325   1.068  -0.439   1.573
+  237ILE     CA 3326   1.107  -0.565   1.412
+  237ILE     HA 3327   1.083  -0.560   1.306
+  237ILE     CB 3328   1.258  -0.550   1.426
+  237ILE     HB 3329   1.280  -0.444   1.400
+  237ILE    CG2 3330   1.303  -0.578   1.571
+  237ILE   HG21 3331   1.293  -0.687   1.594
+  237ILE   HG22 3332   1.242  -0.522   1.645
+  237ILE   HG23 3333   1.410  -0.551   1.585
+  237ILE    CG1 3334   1.337  -0.636   1.323
+  237ILE   HG11 3335   1.289  -0.623   1.223
+  237ILE   HG12 3336   1.329  -0.744   1.350
+  237ILE     CD 3337   1.485  -0.597   1.312
+  237ILE    HD1 3338   1.538  -0.619   1.407
+  237ILE    HD2 3339   1.496  -0.489   1.288
+  237ILE    HD3 3340   1.533  -0.656   1.232
+  237ILE      C 3341   1.061  -0.701   1.461
+  237ILE      O 3342   1.021  -0.718   1.577
+  238CYS      N 3343   1.064  -0.801   1.373
+  238CYS     HN 3344   1.101  -0.788   1.282
+  238CYS     CA 3345   1.015  -0.934   1.403
+  238CYS     HA 3346   1.022  -0.953   1.508
+  238CYS     CB 3347   0.868  -0.954   1.359
+  238CYS    HB1 3348   0.803  -0.908   1.437
+  238CYS    HB2 3349   0.842  -1.062   1.355
+  238CYS     SG 3350   0.832  -0.873   1.200
+  238CYS    HG1 3351   0.845  -0.749   1.247
+  238CYS      C 3352   1.107  -1.033   1.336
+  238CYS      O 3353   1.184  -0.999   1.248
+  239GLU      N 3354   1.101  -1.161   1.383
+  239GLU     HN 3355   1.032  -1.189   1.449
+  239GLU     CA 3356   1.204  -1.258   1.354
+  239GLU     HA 3357   1.285  -1.212   1.299
+  239GLU     CB 3358   1.260  -1.318   1.486
+  239GLU    HB1 3359   1.340  -1.389   1.458
+  239GLU    HB2 3360   1.179  -1.374   1.539
+  239GLU     CG 3361   1.320  -1.216   1.585
+  239GLU    HG1 3362   1.364  -1.270   1.672
+  239GLU    HG2 3363   1.242  -1.146   1.623
+  239GLU     CD 3364   1.433  -1.134   1.523
+  239GLU    OE1 3365   1.531  -1.199   1.481
+  239GLU    OE2 3366   1.424  -1.008   1.527
+  239GLU      C 3367   1.152  -1.373   1.271
+  239GLU      O 3368   1.051  -1.438   1.306
+  240GLY      N 3369   1.222  -1.409   1.162
+  240GLY     HN 3370   1.297  -1.349   1.131
+  240GLY     CA 3371   1.198  -1.528   1.079
+  240GLY    HA1 3372   1.228  -1.613   1.138
+  240GLY    HA2 3373   1.258  -1.515   0.990
+  240GLY      C 3374   1.056  -1.550   1.035
+  240GLY      O 3375   0.987  -1.459   0.992
+  241ASP      N 3376   1.004  -1.673   1.048
+  241ASP     HN 3377   1.061  -1.751   1.072
+  241ASP     CA 3378   0.868  -1.706   1.009
+  241ASP     HA 3379   0.837  -1.640   0.929
+  241ASP     CB 3380   0.860  -1.852   0.960
+  241ASP    HB1 3381   0.757  -1.877   0.929
+  241ASP    HB2 3382   0.890  -1.923   1.041
+  241ASP     CG 3383   0.955  -1.874   0.842
+  241ASP    OD1 3384   0.908  -1.861   0.722
+  241ASP    OD2 3385   1.074  -1.891   0.863
+  241ASP      C 3386   0.772  -1.679   1.126
+  241ASP      O 3387   0.653  -1.714   1.124
+  242GLY      N 3388   0.821  -1.610   1.231
+  242GLY     HN 3389   0.918  -1.583   1.230
+  242GLY     CA 3390   0.743  -1.551   1.338
+  242GLY    HA1 3391   0.808  -1.536   1.422
+  242GLY    HA2 3392   0.658  -1.615   1.360
+  242GLY      C 3393   0.691  -1.416   1.300
+  242GLY      O 3394   0.605  -1.361   1.370
+  243CYS      N 3395   0.743  -1.357   1.190
+  243CYS     HN 3396   0.818  -1.402   1.142
+  243CYS     CA 3397   0.693  -1.236   1.127
+  243CYS     HA 3398   0.693  -1.157   1.201
+  243CYS     CB 3399   0.779  -1.194   1.005
+  243CYS    HB1 3400   0.736  -1.102   0.959
+  243CYS    HB2 3401   0.774  -1.274   0.928
+  243CYS     SG 3402   0.953  -1.162   1.048
+  243CYS    HG1 3403   0.986  -1.288   1.071
+  243CYS      C 3404   0.550  -1.250   1.079
+  243CYS      O 3405   0.468  -1.161   1.097
+  244GLY      N 3406   0.518  -1.366   1.019
+  244GLY     HN 3407   0.588  -1.437   1.009
+  244GLY     CA 3408   0.391  -1.391   0.952
+  244GLY    HA1 3409   0.311  -1.356   1.015
+  244GLY    HA2 3410   0.387  -1.497   0.932
+  244GLY      C 3411   0.379  -1.324   0.819
+  244GLY      O 3412   0.478  -1.294   0.752
+  245GLY      N 3413   0.253  -1.307   0.775
+  245GLY     HN 3414   0.178  -1.341   0.832
+  245GLY     CA 3415   0.215  -1.250   0.647
+  245GLY    HA1 3416   0.258  -1.151   0.642
+  245GLY    HA2 3417   0.107  -1.249   0.642
+  245GLY      C 3418   0.264  -1.326   0.527
+  245GLY      O 3419   0.295  -1.446   0.531
+  246THR      N 3420   0.267  -1.257   0.414
+  246THR     HN 3421   0.235  -1.161   0.418
+  246THR     CA 3422   0.297  -1.309   0.280
+  246THR     HA 3423   0.224  -1.385   0.258
+  246THR     CB 3424   0.283  -1.199   0.177
+  246THR     HB 3425   0.348  -1.112   0.203
+  246THR    OG1 3426   0.147  -1.158   0.175
+  246THR    HG1 3427   0.131  -1.100   0.251
+  246THR    CG2 3428   0.318  -1.246   0.035
+  246THR   HG21 3429   0.257  -1.334   0.007
+  246THR   HG22 3430   0.426  -1.271   0.024
+  246THR   HG23 3431   0.297  -1.164  -0.038
+  246THR      C 3432   0.431  -1.376   0.268
+  246THR      O 3433   0.447  -1.479   0.201
+  247TYR      N 3434   0.533  -1.321   0.336
+  247TYR     HN 3435   0.515  -1.242   0.394
+  247TYR     CA 3436   0.671  -1.360   0.322
+  247TYR     HA 3437   0.687  -1.403   0.223
+  247TYR     CB 3438   0.763  -1.237   0.339
+  247TYR    HB1 3439   0.870  -1.265   0.324
+  247TYR    HB2 3440   0.752  -1.193   0.441
+  247TYR     CG 3441   0.729  -1.131   0.237
+  247TYR    CD1 3442   0.780  -1.142   0.107
+  247TYR    HD1 3443   0.841  -1.227   0.080
+  247TYR    CE1 3444   0.753  -1.044   0.010
+  247TYR    HE1 3445   0.794  -1.053  -0.089
+  247TYR     CZ 3446   0.673  -0.935   0.043
+  247TYR     OH 3447   0.654  -0.837  -0.056
+  247TYR     HH 3448   0.743  -0.802  -0.078
+  247TYR    CD2 3449   0.648  -1.020   0.269
+  247TYR    HD2 3450   0.608  -1.010   0.369
+  247TYR    CE2 3451   0.619  -0.923   0.172
+  247TYR    HE2 3452   0.557  -0.837   0.196
+  247TYR      C 3453   0.714  -1.467   0.422
+  247TYR      O 3454   0.831  -1.492   0.440
+  248SER      N 3455   0.617  -1.533   0.490
+  248SER     HN 3456   0.520  -1.511   0.477
+  248SER     CA 3457   0.647  -1.641   0.584
+  248SER     HA 3458   0.750  -1.672   0.572
+  248SER     CB 3459   0.624  -1.600   0.732
+  248SER    HB1 3460   0.653  -1.683   0.800
+  248SER    HB2 3461   0.516  -1.577   0.748
+  248SER     OG 3462   0.702  -1.484   0.763
+  248SER    HG1 3463   0.648  -1.408   0.732
+  248SER      C 3464   0.564  -1.763   0.556
+  248SER      O 3465   0.455  -1.755   0.495
+  249ASP      N 3466   0.610  -1.883   0.595
+  249ASP     HN 3467   0.699  -1.891   0.643
+  249ASP     CA 3468   0.539  -2.009   0.572
+  249ASP     HA 3469   0.515  -2.009   0.467
+  249ASP     CB 3470   0.630  -2.134   0.597
+  249ASP    HB1 3471   0.729  -2.115   0.550
+  249ASP    HB2 3472   0.584  -2.220   0.545
+  249ASP     CG 3473   0.654  -2.178   0.742
+  249ASP    OD1 3474   0.650  -2.094   0.833
+  249ASP    OD2 3475   0.689  -2.299   0.757
+  249ASP      C 3476   0.406  -2.017   0.646
+  249ASP      O 3477   0.304  -2.067   0.593
+  250ASN      N 3478   0.402  -1.966   0.768
+  250ASN     HN 3479   0.490  -1.937   0.807
+  250ASN     CA 3480   0.285  -1.954   0.851
+  250ASN     HA 3481   0.206  -2.014   0.810
+  250ASN     CB 3482   0.317  -2.002   0.995
+  250ASN    HB1 3483   0.403  -1.944   1.034
+  250ASN    HB2 3484   0.347  -2.109   0.991
+  250ASN     CG 3485   0.197  -1.987   1.087
+  250ASN    OD1 3486   0.084  -1.968   1.044
+  250ASN    ND2 3487   0.222  -1.992   1.220
+  250ASN   HD21 3488   0.143  -1.975   1.280
+  250ASN   HD22 3489   0.316  -1.996   1.251
+  250ASN      C 3490   0.241  -1.809   0.848
+  250ASN      O 3491   0.299  -1.722   0.909
+  251ARG      N 3492   0.131  -1.783   0.773
+  251ARG     HN 3493   0.084  -1.858   0.729
+  251ARG     CA 3494   0.078  -1.650   0.749
+  251ARG     HA 3495   0.159  -1.590   0.710
+  251ARG     CB 3496  -0.032  -1.659   0.641
+  251ARG    HB1 3497  -0.112  -1.729   0.675
+  251ARG    HB2 3498   0.017  -1.703   0.550
+  251ARG     CG 3499  -0.096  -1.525   0.601
+  251ARG    HG1 3500  -0.015  -1.451   0.583
+  251ARG    HG2 3501  -0.157  -1.487   0.687
+  251ARG     CD 3502  -0.187  -1.532   0.477
+  251ARG    HD1 3503  -0.275  -1.597   0.498
+  251ARG    HD2 3504  -0.131  -1.576   0.391
+  251ARG     NE 3505  -0.234  -1.395   0.445
+  251ARG     HE 3506  -0.325  -1.361   0.482
+  251ARG     CZ 3507  -0.176  -1.308   0.363
+  251ARG    NH1 3508  -0.065  -1.340   0.295
+  251ARG   HH11 3509  -0.025  -1.427   0.308
+  251ARG   HH12 3510  -0.025  -1.268   0.237
+  251ARG    NH2 3511  -0.227  -1.191   0.347
+  251ARG   HH21 3512  -0.308  -1.165   0.402
+  251ARG   HH22 3513  -0.184  -1.122   0.288
+  251ARG      C 3514   0.030  -1.579   0.875
+  251ARG      O 3515   0.052  -1.461   0.895
+  252TYR      N 3516  -0.033  -1.654   0.967
+  252TYR     HN 3517  -0.043  -1.752   0.955
+  252TYR     CA 3518  -0.103  -1.597   1.082
+  252TYR     HA 3519  -0.120  -1.491   1.066
+  252TYR     CB 3520  -0.240  -1.667   1.101
+  252TYR    HB1 3521  -0.301  -1.615   1.178
+  252TYR    HB2 3522  -0.227  -1.773   1.132
+  252TYR     CG 3523  -0.316  -1.664   0.971
+  252TYR    CD1 3524  -0.380  -1.546   0.931
+  252TYR    HD1 3525  -0.377  -1.458   0.993
+  252TYR    CE1 3526  -0.451  -1.542   0.810
+  252TYR    HE1 3527  -0.502  -1.450   0.782
+  252TYR     CZ 3528  -0.459  -1.655   0.729
+  252TYR     OH 3529  -0.534  -1.650   0.609
+  252TYR     HH 3530  -0.569  -1.558   0.599
+  252TYR    CD2 3531  -0.323  -1.777   0.888
+  252TYR    HD2 3532  -0.273  -1.868   0.918
+  252TYR    CE2 3533  -0.393  -1.773   0.767
+  252TYR    HE2 3534  -0.399  -1.860   0.703
+  252TYR      C 3535  -0.019  -1.611   1.207
+  252TYR      O 3536  -0.068  -1.602   1.321
+  253GLY      N 3537   0.112  -1.635   1.190
+  253GLY     HN 3538   0.146  -1.643   1.096
+  253GLY     CA 3539   0.207  -1.653   1.299
+  253GLY    HA1 3540   0.299  -1.691   1.255
+  253GLY    HA2 3541   0.165  -1.720   1.372
+  253GLY      C 3542   0.244  -1.525   1.370
+  253GLY      O 3543   0.283  -1.528   1.487
+  254GLY      N 3544   0.235  -1.411   1.299
+  254GLY     HN 3545   0.195  -1.413   1.207
+  254GLY     CA 3546   0.284  -1.282   1.344
+  254GLY    HA1 3547   0.292  -1.220   1.256
+  254GLY    HA2 3548   0.379  -1.298   1.392
+  254GLY      C 3549   0.201  -1.207   1.443
+  254GLY      O 3550   0.094  -1.248   1.489
+  255THR      N 3551   0.253  -1.088   1.480
+  255THR     HN 3552   0.341  -1.057   1.444
+  255THR     CA 3553   0.192  -0.992   1.571
+  255THR     HA 3554   0.141  -1.046   1.649
+  255THR     CB 3555   0.293  -0.897   1.635
+  255THR     HB 3556   0.250  -0.797   1.660
+  255THR    OG1 3557   0.408  -0.879   1.553
+  255THR    HG1 3558   0.453  -0.799   1.586
+  255THR    CG2 3559   0.343  -0.960   1.766
+  255THR   HG21 3560   0.385  -1.061   1.747
+  255THR   HG22 3561   0.259  -0.970   1.838
+  255THR   HG23 3562   0.421  -0.896   1.812
+  255THR      C 3563   0.086  -0.909   1.501
+  255THR      O 3564  -0.003  -0.853   1.566
+  256CYS      N 3565   0.093  -0.901   1.368
+  256CYS     HN 3566   0.167  -0.947   1.319
+  256CYS     CA 3567  -0.007  -0.836   1.285
+  256CYS     HA 3568  -0.063  -0.766   1.344
+  256CYS     CB 3569   0.057  -0.761   1.166
+  256CYS    HB1 3570  -0.019  -0.735   1.089
+  256CYS    HB2 3571   0.131  -0.828   1.116
+  256CYS     SG 3572   0.138  -0.607   1.215
+  256CYS      C 3573  -0.107  -0.935   1.231
+  256CYS      O 3574  -0.082  -1.055   1.223
+  257ASP      N 3575  -0.225  -0.884   1.195
+  257ASP     HN 3576  -0.247  -0.787   1.207
+  257ASP     CA 3577  -0.326  -0.955   1.120
+  257ASP     HA 3578  -0.320  -1.061   1.140
+  257ASP     CB 3579  -0.463  -0.904   1.168
+  257ASP    HB1 3580  -0.461  -0.792   1.168
+  257ASP    HB2 3581  -0.485  -0.938   1.271
+  257ASP     CG 3582  -0.579  -0.944   1.079
+  257ASP    OD1 3583  -0.570  -1.052   1.011
+  257ASP    OD2 3584  -0.680  -0.874   1.084
+  257ASP      C 3585  -0.302  -0.924   0.972
+  257ASP      O 3586  -0.303  -0.807   0.938
+  258PRO      N 3587  -0.281  -1.020   0.882
+  258PRO     CD 3588  -0.249  -1.158   0.917
+  258PRO    HD1 3589  -0.340  -1.210   0.955
+  258PRO    HD2 3590  -0.168  -1.160   0.994
+  258PRO     CA 3591  -0.239  -0.986   0.747
+  258PRO     HA 3592  -0.195  -0.887   0.741
+  258PRO     CB 3593  -0.140  -1.099   0.714
+  258PRO    HB1 3594  -0.041  -1.072   0.754
+  258PRO    HB2 3595  -0.130  -1.117   0.604
+  258PRO     CG 3596  -0.197  -1.220   0.788
+  258PRO    HG1 3597  -0.283  -1.263   0.730
+  258PRO    HG2 3598  -0.122  -1.299   0.805
+  258PRO      C 3599  -0.356  -0.991   0.652
+  258PRO      O 3600  -0.336  -0.962   0.534
+  259ASP      N 3601  -0.477  -1.031   0.697
+  259ASP     HN 3602  -0.491  -1.055   0.793
+  259ASP     CA 3603  -0.591  -1.044   0.609
+  259ASP     HA 3604  -0.561  -1.037   0.505
+  259ASP     CB 3605  -0.664  -1.180   0.631
+  259ASP    HB1 3606  -0.763  -1.177   0.580
+  259ASP    HB2 3607  -0.682  -1.195   0.739
+  259ASP     CG 3608  -0.587  -1.300   0.576
+  259ASP    OD1 3609  -0.470  -1.288   0.530
+  259ASP    OD2 3610  -0.643  -1.414   0.581
+  259ASP      C 3611  -0.685  -0.926   0.631
+  259ASP      O 3612  -0.737  -0.869   0.535
+  260GLY      N 3613  -0.702  -0.881   0.758
+  260GLY     HN 3614  -0.658  -0.927   0.835
+  260GLY     CA 3615  -0.794  -0.775   0.795
+  260GLY    HA1 3616  -0.771  -0.688   0.737
+  260GLY    HA2 3617  -0.782  -0.757   0.900
+  260GLY      C 3618  -0.940  -0.807   0.775
+  260GLY      O 3619  -0.980  -0.919   0.743
+  261CYS      N 3620  -1.026  -0.707   0.798
+  261CYS     HN 3621  -0.990  -0.618   0.823
+  261CYS     CA 3622  -1.171  -0.719   0.783
+  261CYS     HA 3623  -1.201  -0.823   0.775
+  261CYS     CB 3624  -1.240  -0.654   0.907
+  261CYS    HB1 3625  -1.199  -0.552   0.920
+  261CYS    HB2 3626  -1.209  -0.714   0.995
+  261CYS     SG 3627  -1.421  -0.645   0.903
+  261CYS      C 3628  -1.208  -0.651   0.653
+  261CYS      O 3629  -1.255  -0.538   0.652
+  262ASP      N 3630  -1.177  -0.717   0.539
+  262ASP     HN 3631  -1.147  -0.812   0.538
+  262ASP     CA 3632  -1.191  -0.658   0.408
+  262ASP     HA 3633  -1.153  -0.557   0.417
+  262ASP     CB 3634  -1.102  -0.725   0.298
+  262ASP    HB1 3635  -0.998  -0.725   0.337
+  262ASP    HB2 3636  -1.103  -0.662   0.206
+  262ASP     CG 3637  -1.134  -0.869   0.260
+  262ASP    OD1 3638  -1.126  -0.957   0.347
+  262ASP    OD2 3639  -1.159  -0.897   0.139
+  262ASP      C 3640  -1.335  -0.640   0.364
+  262ASP      O 3641  -1.421  -0.730   0.367
+  263TRP      N 3642  -1.371  -0.520   0.319
+  263TRP     HN 3643  -1.305  -0.444   0.324
+  263TRP     CA 3644  -1.499  -0.496   0.258
+  263TRP     HA 3645  -1.566  -0.580   0.274
+  263TRP     CB 3646  -1.566  -0.368   0.314
+  263TRP    HB1 3647  -1.505  -0.279   0.287
+  263TRP    HB2 3648  -1.561  -0.379   0.425
+  263TRP     CG 3649  -1.709  -0.347   0.275
+  263TRP    CD1 3650  -1.761  -0.331   0.149
+  263TRP    HD1 3651  -1.700  -0.327   0.059
+  263TRP    NE1 3652  -1.898  -0.321   0.155
+  263TRP    HE1 3653  -1.960  -0.314   0.080
+  263TRP    CE2 3654  -1.938  -0.330   0.285
+  263TRP    CD2 3655  -1.822  -0.344   0.365
+  263TRP    CE3 3656  -1.834  -0.352   0.503
+  263TRP    HE3 3657  -1.747  -0.365   0.566
+  263TRP    CZ3 3658  -1.962  -0.348   0.559
+  263TRP    HZ3 3659  -1.973  -0.358   0.667
+  263TRP    CZ2 3660  -2.065  -0.328   0.341
+  263TRP    HZ2 3661  -2.153  -0.322   0.279
+  263TRP    CH2 3662  -2.076  -0.338   0.479
+  263TRP    HH2 3663  -2.173  -0.341   0.526
+  263TRP      C 3664  -1.475  -0.484   0.109
+  263TRP      O 3665  -1.422  -0.384   0.061
+  264ASN      N 3666  -1.517  -0.586   0.033
+  264ASN     HN 3667  -1.555  -0.667   0.076
+  264ASN     CA 3668  -1.509  -0.586  -0.112
+  264ASN     HA 3669  -1.471  -0.492  -0.148
+  264ASN     CB 3670  -1.408  -0.696  -0.159
+  264ASN    HB1 3671  -1.432  -0.791  -0.108
+  264ASN    HB2 3672  -1.307  -0.664  -0.125
+  264ASN     CG 3673  -1.406  -0.723  -0.310
+  264ASN    OD1 3674  -1.499  -0.701  -0.385
+  264ASN    ND2 3675  -1.290  -0.779  -0.356
+  264ASN   HD21 3676  -1.282  -0.796  -0.454
+  264ASN   HD22 3677  -1.214  -0.794  -0.294
+  264ASN      C 3678  -1.653  -0.608  -0.159
+  264ASN      O 3679  -1.711  -0.711  -0.127
+  265PRO      N 3680  -1.718  -0.517  -0.234
+  265PRO     CD 3681  -1.673  -0.378  -0.247
+  265PRO    HD1 3682  -1.603  -0.371  -0.333
+  265PRO    HD2 3683  -1.621  -0.340  -0.156
+  265PRO     CA 3684  -1.861  -0.530  -0.261
+  265PRO     HA 3685  -1.912  -0.543  -0.167
+  265PRO     CB 3686  -1.896  -0.399  -0.333
+  265PRO    HB1 3687  -2.003  -0.372  -0.320
+  265PRO    HB2 3688  -1.873  -0.407  -0.442
+  265PRO     CG 3689  -1.801  -0.296  -0.272
+  265PRO    HG1 3690  -1.781  -0.210  -0.339
+  265PRO    HG2 3691  -1.840  -0.259  -0.175
+  265PRO      C 3692  -1.895  -0.650  -0.349
+  265PRO      O 3693  -2.003  -0.706  -0.332
+  266TYR      N 3694  -1.806  -0.689  -0.442
+  266TYR     HN 3695  -1.719  -0.638  -0.452
+  266TYR     CA 3696  -1.822  -0.808  -0.525
+  266TYR     HA 3697  -1.917  -0.799  -0.576
+  266TYR     CB 3698  -1.707  -0.818  -0.629
+  266TYR    HB1 3699  -1.612  -0.854  -0.582
+  266TYR    HB2 3700  -1.686  -0.717  -0.668
+  266TYR     CG 3701  -1.742  -0.909  -0.745
+  266TYR    CD1 3702  -1.738  -1.050  -0.734
+  266TYR    HD1 3703  -1.712  -1.095  -0.640
+  266TYR    CE1 3704  -1.766  -1.131  -0.845
+  266TYR    HE1 3705  -1.765  -1.238  -0.835
+  266TYR     CZ 3706  -1.795  -1.073  -0.969
+  266TYR     OH 3707  -1.820  -1.155  -1.081
+  266TYR     HH 3708  -1.823  -1.245  -1.048
+  266TYR    CD2 3709  -1.773  -0.853  -0.870
+  266TYR    HD2 3710  -1.776  -0.746  -0.880
+  266TYR    CE2 3711  -1.799  -0.934  -0.982
+  266TYR    HE2 3712  -1.822  -0.889  -1.077
+  266TYR      C 3713  -1.826  -0.933  -0.439
+  266TYR      O 3714  -1.910  -1.021  -0.456
+  267ARG      N 3715  -1.735  -0.940  -0.339
+  267ARG     HN 3716  -1.675  -0.861  -0.324
+  267ARG     CA 3717  -1.716  -1.053  -0.250
+  267ARG     HA 3718  -1.708  -1.142  -0.309
+  267ARG     CB 3719  -1.586  -1.030  -0.168
+  267ARG    HB1 3720  -1.601  -0.945  -0.097
+  267ARG    HB2 3721  -1.506  -1.000  -0.239
+  267ARG     CG 3722  -1.536  -1.153  -0.089
+  267ARG    HG1 3723  -1.519  -1.235  -0.161
+  267ARG    HG2 3724  -1.615  -1.185  -0.018
+  267ARG     CD 3725  -1.407  -1.126  -0.007
+  267ARG    HD1 3726  -1.427  -1.050   0.072
+  267ARG    HD2 3727  -1.325  -1.089  -0.073
+  267ARG     NE 3728  -1.367  -1.258   0.051
+  267ARG     HE 3729  -1.383  -1.342   0.002
+  267ARG     CZ 3730  -1.310  -1.269   0.173
+  267ARG    NH1 3731  -1.277  -1.171   0.248
+  267ARG   HH11 3732  -1.240  -1.178   0.343
+  267ARG   HH12 3733  -1.274  -1.073   0.222
+  267ARG    NH2 3734  -1.290  -1.393   0.216
+  267ARG   HH21 3735  -1.321  -1.469   0.164
+  267ARG   HH22 3736  -1.247  -1.400   0.307
+  267ARG      C 3737  -1.836  -1.071  -0.156
+  267ARG      O 3738  -1.869  -1.181  -0.113
+  268LEU      N 3739  -1.909  -0.961  -0.132
+  268LEU     HN 3740  -1.878  -0.873  -0.167
+  268LEU     CA 3741  -2.027  -0.958  -0.048
+  268LEU     HA 3742  -2.025  -1.041   0.021
+  268LEU     CB 3743  -2.028  -0.826   0.033
+  268LEU    HB1 3744  -2.122  -0.816   0.090
+  268LEU    HB2 3745  -2.022  -0.740  -0.038
+  268LEU     CG 3746  -1.910  -0.816   0.132
+  268LEU     HG 3747  -1.815  -0.837   0.079
+  268LEU    CD1 3748  -1.897  -0.674   0.189
+  268LEU   HD11 3749  -1.983  -0.647   0.253
+  268LEU   HD12 3750  -1.889  -0.600   0.106
+  268LEU   HD13 3751  -1.805  -0.665   0.250
+  268LEU    CD2 3752  -1.924  -0.919   0.246
+  268LEU   HD21 3753  -1.924  -1.022   0.207
+  268LEU   HD22 3754  -2.017  -0.902   0.303
+  268LEU   HD23 3755  -1.838  -0.910   0.316
+  268LEU      C 3756  -2.155  -0.974  -0.129
+  268LEU      O 3757  -2.266  -0.977  -0.078
+  269GLY      N 3758  -2.141  -0.995  -0.262
+  269GLY     HN 3759  -2.049  -0.986  -0.303
+  269GLY     CA 3760  -2.247  -1.045  -0.348
+  269GLY    HA1 3761  -2.328  -1.084  -0.288
+  269GLY    HA2 3762  -2.203  -1.122  -0.411
+  269GLY      C 3763  -2.308  -0.944  -0.440
+  269GLY      O 3764  -2.398  -0.975  -0.516
+  270ASN      N 3765  -2.261  -0.817  -0.437
+  270ASN     HN 3766  -2.186  -0.792  -0.376
+  270ASN     CA 3767  -2.308  -0.717  -0.530
+  270ASN     HA 3768  -2.403  -0.749  -0.572
+  270ASN     CB 3769  -2.332  -0.580  -0.461
+  270ASN    HB1 3770  -2.234  -0.535  -0.432
+  270ASN    HB2 3771  -2.391  -0.598  -0.368
+  270ASN     CG 3772  -2.409  -0.484  -0.551
+  270ASN    OD1 3773  -2.439  -0.510  -0.667
+  270ASN    ND2 3774  -2.449  -0.368  -0.492
+  270ASN   HD21 3775  -2.493  -0.300  -0.553
+  270ASN   HD22 3776  -2.421  -0.349  -0.400
+  270ASN      C 3777  -2.210  -0.706  -0.646
+  270ASN      O 3778  -2.110  -0.635  -0.642
+  271THR      N 3779  -2.240  -0.775  -0.757
+  271THR     HN 3780  -2.321  -0.832  -0.762
+  271THR     CA 3781  -2.145  -0.793  -0.867
+  271THR     HA 3782  -2.044  -0.781  -0.831
+  271THR     CB 3783  -2.160  -0.931  -0.929
+  271THR     HB 3784  -2.089  -0.945  -1.014
+  271THR    OG1 3785  -2.294  -0.955  -0.971
+  271THR    HG1 3786  -2.312  -0.892  -1.041
+  271THR    CG2 3787  -2.127  -1.036  -0.822
+  271THR   HG21 3788  -2.202  -1.037  -0.741
+  271THR   HG22 3789  -2.027  -1.017  -0.777
+  271THR   HG23 3790  -2.126  -1.136  -0.870
+  271THR      C 3791  -2.169  -0.691  -0.975
+  271THR      O 3792  -2.109  -0.696  -1.084
+  272SER      N 3793  -2.262  -0.597  -0.952
+  272SER     HN 3794  -2.312  -0.600  -0.866
+  272SER     CA 3795  -2.297  -0.494  -1.048
+  272SER     HA 3796  -2.242  -0.506  -1.140
+  272SER     CB 3797  -2.449  -0.496  -1.082
+  272SER    HB1 3798  -2.475  -0.414  -1.151
+  272SER    HB2 3799  -2.508  -0.482  -0.988
+  272SER     OG 3800  -2.485  -0.621  -1.142
+  272SER    HG1 3801  -2.434  -0.627  -1.224
+  272SER      C 3802  -2.262  -0.357  -0.995
+  272SER      O 3803  -2.286  -0.256  -1.061
+  273PHE      N 3804  -2.204  -0.347  -0.873
+  273PHE     HN 3805  -2.183  -0.429  -0.820
+  273PHE     CA 3806  -2.165  -0.219  -0.817
+  273PHE     HA 3807  -2.250  -0.153  -0.830
+  273PHE     CB 3808  -2.136  -0.231  -0.665
+  273PHE    HB1 3809  -2.051  -0.301  -0.646
+  273PHE    HB2 3810  -2.225  -0.271  -0.613
+  273PHE     CG 3811  -2.104  -0.097  -0.604
+  273PHE    CD1 3812  -2.200   0.006  -0.609
+  273PHE    HD1 3813  -2.296  -0.013  -0.655
+  273PHE    CE1 3814  -2.172   0.132  -0.555
+  273PHE    HE1 3815  -2.246   0.211  -0.560
+  273PHE     CZ 3816  -2.049   0.156  -0.494
+  273PHE     HZ 3817  -2.027   0.253  -0.453
+  273PHE    CD2 3818  -1.980  -0.071  -0.543
+  273PHE    HD2 3819  -1.905  -0.149  -0.539
+  273PHE    CE2 3820  -1.952   0.054  -0.488
+  273PHE    HE2 3821  -1.856   0.072  -0.442
+  273PHE      C 3822  -2.049  -0.152  -0.890
+  273PHE      O 3823  -2.050  -0.032  -0.918
+  274TYR      N 3824  -1.945  -0.229  -0.924
+  274TYR     HN 3825  -1.947  -0.328  -0.913
+  274TYR     CA 3826  -1.818  -0.172  -0.962
+  274TYR     HA 3827  -1.831  -0.073  -1.003
+  274TYR     CB 3828  -1.726  -0.168  -0.837
+  274TYR    HB1 3829  -1.714  -0.270  -0.795
+  274TYR    HB2 3830  -1.776  -0.107  -0.758
+  274TYR     CG 3831  -1.589  -0.111  -0.860
+  274TYR    CD1 3832  -1.566   0.026  -0.839
+  274TYR    HD1 3833  -1.648   0.090  -0.811
+  274TYR    CE1 3834  -1.436   0.079  -0.846
+  274TYR    HE1 3835  -1.419   0.184  -0.827
+  274TYR     CZ 3836  -1.328  -0.005  -0.875
+  274TYR     OH 3837  -1.198   0.046  -0.882
+  274TYR     HH 3838  -1.139  -0.028  -0.900
+  274TYR    CD2 3839  -1.479  -0.194  -0.891
+  274TYR    HD2 3840  -1.494  -0.300  -0.905
+  274TYR    CE2 3841  -1.350  -0.141  -0.899
+  274TYR    HE2 3842  -1.266  -0.206  -0.921
+  274TYR      C 3843  -1.761  -0.259  -1.071
+  274TYR      O 3844  -1.764  -0.382  -1.061
+  275GLY      N 3845  -1.711  -0.197  -1.179
+  275GLY     HN 3846  -1.716  -0.098  -1.189
+  275GLY     CA 3847  -1.655  -0.271  -1.291
+  275GLY    HA1 3848  -1.710  -0.362  -1.306
+  275GLY    HA2 3849  -1.550  -0.285  -1.268
+  275GLY      C 3850  -1.664  -0.189  -1.418
+  275GLY      O 3851  -1.712  -0.078  -1.416
+  276PRO      N 3852  -1.617  -0.241  -1.531
+  276PRO     CD 3853  -1.539  -0.365  -1.541
+  276PRO    HD1 3854  -1.602  -0.441  -1.591
+  276PRO    HD2 3855  -1.503  -0.405  -1.443
+  276PRO     CA 3856  -1.594  -0.154  -1.647
+  276PRO     HA 3857  -1.567  -0.055  -1.614
+  276PRO     CB 3858  -1.478  -0.221  -1.724
+  276PRO    HB1 3859  -1.401  -0.146  -1.752
+  276PRO    HB2 3860  -1.512  -0.274  -1.815
+  276PRO     CG 3861  -1.420  -0.326  -1.628
+  276PRO    HG1 3862  -1.375  -0.412  -1.680
+  276PRO    HG2 3863  -1.342  -0.278  -1.564
+  276PRO      C 3864  -1.715  -0.144  -1.736
+  276PRO      O 3865  -1.763  -0.245  -1.788
+  277GLY      N 3866  -1.763  -0.021  -1.764
+  277GLY     HN 3867  -1.726   0.062  -1.719
+  277GLY     CA 3868  -1.875   0.002  -1.853
+  277GLY    HA1 3869  -1.904  -0.090  -1.903
+  277GLY    HA2 3870  -1.846   0.080  -1.922
+  277GLY      C 3871  -1.995   0.051  -1.779
+  277GLY      O 3872  -2.002   0.056  -1.656
+  278SER      N 3873  -2.100   0.085  -1.854
+  278SER     HN 3874  -2.098   0.075  -1.954
+  278SER     CA 3875  -2.218   0.150  -1.800
+  278SER     HA 3876  -2.191   0.208  -1.714
+  278SER     CB 3877  -2.279   0.245  -1.906
+  278SER    HB1 3878  -2.204   0.325  -1.925
+  278SER    HB2 3879  -2.372   0.293  -1.869
+  278SER     OG 3880  -2.303   0.176  -2.029
+  278SER    HG1 3881  -2.379   0.119  -2.014
+  278SER      C 3882  -2.323   0.049  -1.755
+  278SER      O 3883  -2.439   0.081  -1.734
+  279SER      N 3884  -2.280  -0.076  -1.735
+  279SER     HN 3885  -2.186  -0.101  -1.758
+  279SER     CA 3886  -2.357  -0.184  -1.678
+  279SER     HA 3887  -2.463  -0.166  -1.692
+  279SER     CB 3888  -2.316  -0.318  -1.745
+  279SER    HB1 3889  -2.357  -0.319  -1.848
+  279SER    HB2 3890  -2.359  -0.406  -1.691
+  279SER     OG 3891  -2.174  -0.331  -1.753
+  279SER    HG1 3892  -2.141  -0.359  -1.666
+  279SER      C 3893  -2.333  -0.196  -1.530
+  279SER      O 3894  -2.394  -0.279  -1.463
+  280PHE      N 3895  -2.244  -0.109  -1.477
+  280PHE     HN 3896  -2.199  -0.042  -1.535
+  280PHE     CA 3897  -2.204  -0.105  -1.339
+  280PHE     HA 3898  -2.258  -0.180  -1.283
+  280PHE     CB 3899  -2.052  -0.127  -1.321
+  280PHE    HB1 3900  -2.022  -0.119  -1.214
+  280PHE    HB2 3901  -1.993  -0.051  -1.379
+  280PHE     CG 3902  -2.015  -0.264  -1.371
+  280PHE    CD1 3903  -2.010  -0.373  -1.283
+  280PHE    HD1 3904  -2.034  -0.358  -1.179
+  280PHE    CE1 3905  -1.970  -0.500  -1.327
+  280PHE    HE1 3906  -1.963  -0.581  -1.257
+  280PHE     CZ 3907  -1.935  -0.518  -1.462
+  280PHE     HZ 3908  -1.903  -0.615  -1.496
+  280PHE    CD2 3909  -1.978  -0.284  -1.505
+  280PHE    HD2 3910  -1.977  -0.200  -1.573
+  280PHE    CE2 3911  -1.939  -0.411  -1.551
+  280PHE    HE2 3912  -1.911  -0.424  -1.654
+  280PHE      C 3913  -2.243   0.029  -1.280
+  280PHE      O 3914  -2.253   0.131  -1.350
+  281THR      N 3915  -2.274   0.031  -1.150
+  281THR     HN 3916  -2.271  -0.055  -1.097
+  281THR     CA 3917  -2.312   0.150  -1.075
+  281THR     HA 3918  -2.397   0.194  -1.124
+  281THR     CB 3919  -2.349   0.117  -0.931
+  281THR     HB 3920  -2.259   0.086  -0.873
+  281THR    OG1 3921  -2.442   0.009  -0.925
+  281THR    HG1 3922  -2.513   0.028  -0.989
+  281THR    CG2 3923  -2.415   0.236  -0.861
+  281THR   HG21 3924  -2.502   0.272  -0.919
+  281THR   HG22 3925  -2.342   0.320  -0.850
+  281THR   HG23 3926  -2.448   0.207  -0.759
+  281THR      C 3927  -2.202   0.256  -1.075
+  281THR      O 3928  -2.227   0.373  -1.100
+  282LEU      N 3929  -2.077   0.212  -1.056
+  282LEU     HN 3930  -2.061   0.116  -1.031
+  282LEU     CA 3931  -1.958   0.292  -1.073
+  282LEU     HA 3932  -1.983   0.394  -1.096
+  282LEU     CB 3933  -1.867   0.287  -0.947
+  282LEU    HB1 3934  -1.774   0.345  -0.965
+  282LEU    HB2 3935  -1.838   0.181  -0.928
+  282LEU     CG 3936  -1.930   0.343  -0.818
+  282LEU     HG 3937  -2.024   0.287  -0.797
+  282LEU    CD1 3938  -1.835   0.319  -0.700
+  282LEU   HD11 3939  -1.739   0.372  -0.715
+  282LEU   HD12 3940  -1.813   0.210  -0.689
+  282LEU   HD13 3941  -1.881   0.354  -0.606
+  282LEU    CD2 3942  -1.962   0.493  -0.830
+  282LEU   HD21 3943  -2.039   0.510  -0.907
+  282LEU   HD22 3944  -1.870   0.549  -0.856
+  282LEU   HD23 3945  -1.999   0.530  -0.732
+  282LEU      C 3946  -1.882   0.234  -1.191
+  282LEU      O 3947  -1.841   0.118  -1.192
+  283ASP      N 3948  -1.862   0.316  -1.296
+  283ASP     HN 3949  -1.889   0.413  -1.291
+  283ASP     CA 3950  -1.801   0.276  -1.421
+  283ASP     HA 3951  -1.816   0.169  -1.436
+  283ASP     CB 3952  -1.869   0.355  -1.536
+  283ASP    HB1 3953  -1.863   0.463  -1.512
+  283ASP    HB2 3954  -1.977   0.326  -1.538
+  283ASP     CG 3955  -1.814   0.336  -1.676
+  283ASP    OD1 3956  -1.707   0.270  -1.696
+  283ASP    OD2 3957  -1.874   0.395  -1.768
+  283ASP      C 3958  -1.651   0.301  -1.410
+  283ASP      O 3959  -1.608   0.414  -1.386
+  284THR      N 3960  -1.567   0.198  -1.424
+  284THR     HN 3961  -1.602   0.105  -1.442
+  284THR     CA 3962  -1.424   0.208  -1.395
+  284THR     HA 3963  -1.408   0.284  -1.321
+  284THR     CB 3964  -1.364   0.078  -1.342
+  284THR     HB 3965  -1.255   0.087  -1.326
+  284THR    OG1 3966  -1.388  -0.031  -1.430
+  284THR    HG1 3967  -1.358  -0.110  -1.383
+  284THR    CG2 3968  -1.430   0.044  -1.208
+  284THR   HG21 3969  -1.541   0.041  -1.216
+  284THR   HG22 3970  -1.402   0.119  -1.131
+  284THR   HG23 3971  -1.396  -0.055  -1.171
+  284THR      C 3972  -1.345   0.251  -1.517
+  284THR      O 3973  -1.222   0.257  -1.515
+  285THR      N 3974  -1.415   0.292  -1.625
+  285THR     HN 3975  -1.515   0.283  -1.625
+  285THR     CA 3976  -1.352   0.351  -1.742
+  285THR     HA 3977  -1.251   0.316  -1.750
+  285THR     CB 3978  -1.424   0.315  -1.873
+  285THR     HB 3979  -1.363   0.352  -1.959
+  285THR    OG1 3980  -1.556   0.371  -1.885
+  285THR    HG1 3981  -1.610   0.327  -1.816
+  285THR    CG2 3982  -1.435   0.162  -1.884
+  285THR   HG21 3983  -1.501   0.121  -1.805
+  285THR   HG22 3984  -1.335   0.115  -1.874
+  285THR   HG23 3985  -1.478   0.134  -1.983
+  285THR      C 3986  -1.348   0.502  -1.727
+  285THR      O 3987  -1.300   0.574  -1.815
+  286LYS      N 3988  -1.396   0.552  -1.612
+  286LYS     HN 3989  -1.428   0.488  -1.541
+  286LYS     CA 3990  -1.410   0.691  -1.580
+  286LYS     HA 3991  -1.352   0.751  -1.648
+  286LYS     CB 3992  -1.560   0.733  -1.583
+  286LYS    HB1 3993  -1.571   0.839  -1.551
+  286LYS    HB2 3994  -1.615   0.669  -1.510
+  286LYS     CG 3995  -1.625   0.715  -1.722
+  286LYS    HG1 3996  -1.603   0.611  -1.757
+  286LYS    HG2 3997  -1.578   0.786  -1.793
+  286LYS     CD 3998  -1.778   0.733  -1.720
+  286LYS    HD1 3999  -1.801   0.832  -1.676
+  286LYS    HD2 4000  -1.822   0.655  -1.652
+  286LYS     CE 4001  -1.844   0.722  -1.859
+  286LYS    HE1 4002  -1.806   0.804  -1.924
+  286LYS    HE2 4003  -1.954   0.732  -1.849
+  286LYS     NZ 4004  -1.814   0.592  -1.923
+  286LYS    HZ1 4005  -1.847   0.514  -1.859
+  286LYS    HZ2 4006  -1.712   0.575  -1.934
+  286LYS    HZ3 4007  -1.864   0.578  -2.013
+  286LYS      C 4008  -1.356   0.711  -1.440
+  286LYS      O 4009  -1.362   0.624  -1.355
+  287LYS      N 4010  -1.299   0.832  -1.414
+  287LYS     HN 4011  -1.289   0.898  -1.487
+  287LYS     CA 4012  -1.253   0.872  -1.283
+  287LYS     HA 4013  -1.184   0.796  -1.248
+  287LYS     CB 4014  -1.179   1.009  -1.293
+  287LYS    HB1 4015  -1.253   1.089  -1.313
+  287LYS    HB2 4016  -1.110   1.002  -1.380
+  287LYS     CG 4017  -1.093   1.046  -1.170
+  287LYS    HG1 4018  -1.015   0.967  -1.159
+  287LYS    HG2 4019  -1.155   1.044  -1.078
+  287LYS     CD 4020  -1.021   1.182  -1.180
+  287LYS    HD1 4021  -0.957   1.182  -1.271
+  287LYS    HD2 4022  -0.954   1.189  -1.092
+  287LYS     CE 4023  -1.117   1.302  -1.184
+  287LYS    HE1 4024  -1.196   1.291  -1.107
+  287LYS    HE2 4025  -1.163   1.311  -1.284
+  287LYS     NZ 4026  -1.044   1.427  -1.154
+  287LYS    HZ1 4027  -0.953   1.427  -1.205
+  287LYS    HZ2 4028  -1.030   1.433  -1.050
+  287LYS    HZ3 4029  -1.100   1.509  -1.186
+  287LYS      C 4030  -1.368   0.878  -1.182
+  287LYS      O 4031  -1.481   0.911  -1.214
+  288LEU      N 4032  -1.339   0.844  -1.055
+  288LEU     HN 4033  -1.247   0.813  -1.029
+  288LEU     CA 4034  -1.436   0.847  -0.949
+  288LEU     HA 4035  -1.517   0.913  -0.975
+  288LEU     CB 4036  -1.494   0.707  -0.913
+  288LEU    HB1 4037  -1.548   0.667  -1.001
+  288LEU    HB2 4038  -1.570   0.720  -0.832
+  288LEU     CG 4039  -1.394   0.599  -0.865
+  288LEU     HG 4040  -1.320   0.644  -0.794
+  288LEU    CD1 4041  -1.469   0.490  -0.787
+  288LEU   HD11 4042  -1.545   0.441  -0.851
+  288LEU   HD12 4043  -1.520   0.534  -0.698
+  288LEU   HD13 4044  -1.398   0.412  -0.751
+  288LEU    CD2 4045  -1.316   0.535  -0.981
+  288LEU   HD21 4046  -1.243   0.606  -1.025
+  288LEU   HD22 4047  -1.385   0.503  -1.061
+  288LEU   HD23 4048  -1.259   0.446  -0.946
+  288LEU      C 4049  -1.370   0.907  -0.827
+  288LEU      O 4050  -1.247   0.914  -0.817
+  289THR      N 4051  -1.452   0.954  -0.733
+  289THR     HN 4052  -1.551   0.954  -0.748
+  289THR     CA 4053  -1.408   1.009  -0.607
+  289THR     HA 4054  -1.301   1.020  -0.605
+  289THR     CB 4055  -1.474   1.143  -0.574
+  289THR     HB 4056  -1.583   1.127  -0.558
+  289THR    OG1 4057  -1.457   1.236  -0.680
+  289THR    HG1 4058  -1.361   1.256  -0.681
+  289THR    CG2 4059  -1.413   1.208  -0.449
+  289THR   HG21 4060  -1.304   1.222  -0.464
+  289THR   HG22 4061  -1.429   1.146  -0.358
+  289THR   HG23 4062  -1.460   1.307  -0.432
+  289THR      C 4063  -1.447   0.908  -0.501
+  289THR      O 4064  -1.555   0.853  -0.503
+  290VAL      N 4065  -1.355   0.883  -0.406
+  290VAL     HN 4066  -1.267   0.931  -0.407
+  290VAL     CA 4067  -1.370   0.783  -0.302
+  290VAL     HA 4068  -1.469   0.740  -0.304
+  290VAL     CB 4069  -1.265   0.673  -0.316
+  290VAL     HB 4070  -1.163   0.717  -0.307
+  290VAL    CG1 4071  -1.284   0.566  -0.207
+  290VAL   HG11 4072  -1.385   0.521  -0.213
+  290VAL   HG12 4073  -1.268   0.607  -0.105
+  290VAL   HG13 4074  -1.210   0.484  -0.222
+  290VAL    CG2 4075  -1.275   0.608  -0.456
+  290VAL   HG21 4076  -1.251   0.681  -0.536
+  290VAL   HG22 4077  -1.376   0.568  -0.474
+  290VAL   HG23 4078  -1.202   0.525  -0.464
+  290VAL      C 4079  -1.353   0.857  -0.171
+  290VAL      O 4080  -1.252   0.926  -0.150
+  291VAL      N 4081  -1.452   0.850  -0.080
+  291VAL     HN 4082  -1.535   0.797  -0.097
+  291VAL     CA 4083  -1.448   0.921   0.046
+  291VAL     HA 4084  -1.352   0.970   0.059
+  291VAL     CB 4085  -1.557   1.027   0.060
+  291VAL     HB 4086  -1.657   0.979   0.062
+  291VAL    CG1 4087  -1.536   1.108   0.190
+  291VAL   HG11 4088  -1.433   1.151   0.194
+  291VAL   HG12 4089  -1.550   1.045   0.280
+  291VAL   HG13 4090  -1.608   1.192   0.196
+  291VAL    CG2 4091  -1.552   1.121  -0.063
+  291VAL   HG21 4092  -1.582   1.066  -0.155
+  291VAL   HG22 4093  -1.450   1.161  -0.077
+  291VAL   HG23 4094  -1.622   1.206  -0.049
+  291VAL      C 4095  -1.464   0.820   0.157
+  291VAL      O 4096  -1.556   0.741   0.161
+  292THR      N 4097  -1.368   0.820   0.252
+  292THR     HN 4098  -1.295   0.888   0.250
+  292THR     CA 4099  -1.365   0.722   0.361
+  292THR     HA 4100  -1.453   0.659   0.358
+  292THR     CB 4101  -1.242   0.634   0.356
+  292THR     HB 4102  -1.150   0.691   0.383
+  292THR    OG1 4103  -1.226   0.583   0.224
+  292THR    HG1 4104  -1.208   0.662   0.170
+  292THR    CG2 4105  -1.257   0.513   0.449
+  292THR   HG21 4106  -1.347   0.453   0.423
+  292THR   HG22 4107  -1.265   0.545   0.555
+  292THR   HG23 4108  -1.168   0.447   0.440
+  292THR      C 4109  -1.369   0.800   0.488
+  292THR      O 4110  -1.290   0.895   0.506
+  293GLN      N 4111  -1.462   0.769   0.579
+  293GLN     HN 4112  -1.520   0.688   0.566
+  293GLN     CA 4113  -1.489   0.848   0.698
+  293GLN     HA 4114  -1.423   0.933   0.703
+  293GLN     CB 4115  -1.638   0.894   0.702
+  293GLN    HB1 4116  -1.651   0.964   0.787
+  293GLN    HB2 4117  -1.702   0.805   0.721
+  293GLN     CG 4118  -1.687   0.961   0.571
+  293GLN    HG1 4119  -1.675   0.891   0.485
+  293GLN    HG2 4120  -1.627   1.051   0.550
+  293GLN     CD 4121  -1.836   0.998   0.576
+  293GLN    OE1 4122  -1.926   0.913   0.581
+  293GLN    NE2 4123  -1.865   1.130   0.574
+  293GLN   HE21 4124  -1.789   1.196   0.567
+  293GLN   HE22 4125  -1.959   1.158   0.593
+  293GLN      C 4126  -1.464   0.758   0.818
+  293GLN      O 4127  -1.510   0.647   0.823
+  294PHE      N 4128  -1.387   0.810   0.918
+  294PHE     HN 4129  -1.347   0.901   0.913
+  294PHE     CA 4130  -1.354   0.732   1.036
+  294PHE     HA 4131  -1.389   0.630   1.028
+  294PHE     CB 4132  -1.202   0.734   1.063
+  294PHE    HB1 4133  -1.177   0.682   1.158
+  294PHE    HB2 4134  -1.166   0.839   1.069
+  294PHE     CG 4135  -1.127   0.669   0.951
+  294PHE    CD1 4136  -1.088   0.739   0.836
+  294PHE    HD1 4137  -1.114   0.844   0.826
+  294PHE    CE1 4138  -1.018   0.675   0.733
+  294PHE    HE1 4139  -0.990   0.730   0.644
+  294PHE     CZ 4140  -0.985   0.540   0.746
+  294PHE     HZ 4141  -0.931   0.488   0.668
+  294PHE    CD2 4142  -1.090   0.534   0.964
+  294PHE    HD2 4143  -1.117   0.479   1.053
+  294PHE    CE2 4144  -1.020   0.470   0.862
+  294PHE    HE2 4145  -0.994   0.366   0.873
+  294PHE      C 4146  -1.421   0.794   1.156
+  294PHE      O 4147  -1.373   0.897   1.209
+  295GLU      N 4148  -1.530   0.737   1.207
+  295GLU     HN 4149  -1.564   0.649   1.172
+  295GLU     CA 4150  -1.601   0.797   1.318
+  295GLU     HA 4151  -1.586   0.904   1.312
+  295GLU     CB 4152  -1.755   0.777   1.315
+  295GLU    HB1 4153  -1.794   0.809   1.215
+  295GLU    HB2 4154  -1.798   0.848   1.389
+  295GLU     CG 4155  -1.807   0.636   1.346
+  295GLU    HG1 4156  -1.736   0.580   1.411
+  295GLU    HG2 4157  -1.819   0.576   1.253
+  295GLU     CD 4158  -1.939   0.641   1.422
+  295GLU    OE1 4159  -2.041   0.700   1.369
+  295GLU    OE2 4160  -1.941   0.594   1.536
+  295GLU      C 4161  -1.542   0.755   1.451
+  295GLU      O 4162  -1.453   0.670   1.463
+  296THR      N 4163  -1.589   0.817   1.560
+  296THR     HN 4164  -1.666   0.880   1.554
+  296THR     CA 4165  -1.525   0.810   1.691
+  296THR     HA 4166  -1.418   0.809   1.674
+  296THR     CB 4167  -1.555   0.932   1.777
+  296THR     HB 4168  -1.514   0.920   1.880
+  296THR    OG1 4169  -1.695   0.958   1.785
+  296THR    HG1 4170  -1.704   1.051   1.806
+  296THR    CG2 4171  -1.486   1.052   1.711
+  296THR   HG21 4172  -1.528   1.072   1.610
+  296THR   HG22 4173  -1.378   1.030   1.697
+  296THR   HG23 4174  -1.497   1.144   1.772
+  296THR      C 4175  -1.554   0.685   1.769
+  296THR      O 4176  -1.489   0.658   1.870
+  297SER      N 4177  -1.651   0.602   1.727
+  297SER     HN 4178  -1.709   0.624   1.648
+  297SER     CA 4179  -1.664   0.466   1.779
+  297SER     HA 4180  -1.669   0.474   1.887
+  297SER     CB 4181  -1.793   0.395   1.731
+  297SER    HB1 4182  -1.880   0.458   1.761
+  297SER    HB2 4183  -1.804   0.296   1.778
+  297SER     OG 4184  -1.798   0.383   1.588
+  297SER    HG1 4185  -1.857   0.454   1.557
+  297SER      C 4186  -1.542   0.380   1.748
+  297SER      O 4187  -1.483   0.318   1.836
+  298GLY      N 4188  -1.497   0.388   1.620
+  298GLY     HN 4189  -1.542   0.452   1.559
+  298GLY     CA 4190  -1.394   0.307   1.558
+  298GLY    HA1 4191  -1.365   0.225   1.622
+  298GLY    HA2 4192  -1.312   0.372   1.531
+  298GLY      C 4193  -1.445   0.247   1.430
+  298GLY      O 4194  -1.373   0.174   1.362
+  299ALA      N 4195  -1.571   0.276   1.393
+  299ALA     HN 4196  -1.631   0.331   1.451
+  299ALA     CA 4197  -1.632   0.233   1.270
+  299ALA     HA 4198  -1.598   0.132   1.248
+  299ALA     CB 4199  -1.786   0.230   1.282
+  299ALA    HB1 4200  -1.826   0.332   1.300
+  299ALA    HB2 4201  -1.816   0.166   1.367
+  299ALA    HB3 4202  -1.833   0.190   1.190
+  299ALA      C 4203  -1.593   0.318   1.151
+  299ALA      O 4204  -1.557   0.437   1.164
+  300ILE      N 4205  -1.599   0.259   1.031
+  300ILE     HN 4206  -1.633   0.164   1.023
+  300ILE     CA 4207  -1.555   0.321   0.908
+  300ILE     HA 4208  -1.528   0.424   0.927
+  300ILE     CB 4209  -1.434   0.250   0.847
+  300ILE     HB 4210  -1.463   0.148   0.814
+  300ILE    CG2 4211  -1.385   0.330   0.723
+  300ILE   HG21 4212  -1.354   0.432   0.753
+  300ILE   HG22 4213  -1.465   0.338   0.646
+  300ILE   HG23 4214  -1.299   0.279   0.676
+  300ILE    CG1 4215  -1.321   0.233   0.952
+  300ILE   HG11 4216  -1.360   0.181   1.042
+  300ILE   HG12 4217  -1.286   0.334   0.984
+  300ILE     CD 4218  -1.202   0.150   0.902
+  300ILE    HD1 4219  -1.152   0.199   0.816
+  300ILE    HD2 4220  -1.235   0.049   0.870
+  300ILE    HD3 4221  -1.126   0.138   0.983
+  300ILE      C 4222  -1.674   0.322   0.813
+  300ILE      O 4223  -1.738   0.223   0.785
+  301ASN      N 4224  -1.707   0.443   0.760
+  301ASN     HN 4225  -1.650   0.522   0.783
+  301ASN     CA 4226  -1.810   0.460   0.660
+  301ASN     HA 4227  -1.863   0.366   0.647
+  301ASN     CB 4228  -1.912   0.572   0.695
+  301ASN    HB1 4229  -1.992   0.579   0.619
+  301ASN    HB2 4230  -1.860   0.669   0.700
+  301ASN     CG 4231  -1.977   0.552   0.832
+  301ASN    OD1 4232  -1.956   0.634   0.922
+  301ASN    ND2 4233  -2.063   0.449   0.844
+  301ASN   HD21 4234  -2.100   0.428   0.937
+  301ASN   HD22 4235  -2.077   0.384   0.771
+  301ASN      C 4236  -1.745   0.493   0.527
+  301ASN      O 4237  -1.630   0.539   0.520
+  302ARG      N 4238  -1.818   0.474   0.418
+  302ARG     HN 4239  -1.911   0.438   0.422
+  302ARG     CA 4240  -1.766   0.493   0.284
+  302ARG     HA 4241  -1.690   0.570   0.286
+  302ARG     CB 4242  -1.702   0.361   0.234
+  302ARG    HB1 4243  -1.768   0.277   0.266
+  302ARG    HB2 4244  -1.605   0.346   0.287
+  302ARG     CG 4245  -1.680   0.343   0.081
+  302ARG    HG1 4246  -1.778   0.350   0.030
+  302ARG    HG2 4247  -1.645   0.239   0.064
+  302ARG     CD 4248  -1.582   0.438   0.013
+  302ARG    HD1 4249  -1.609   0.544   0.031
+  302ARG    HD2 4250  -1.580   0.423  -0.097
+  302ARG     NE 4251  -1.444   0.415   0.069
+  302ARG     HE 4252  -1.406   0.478   0.135
+  302ARG     CZ 4253  -1.361   0.322   0.023
+  302ARG    NH1 4254  -1.389   0.232  -0.066
+  302ARG   HH11 4255  -1.483   0.221  -0.101
+  302ARG   HH12 4256  -1.324   0.162  -0.096
+  302ARG    NH2 4257  -1.238   0.327   0.076
+  302ARG   HH21 4258  -1.217   0.397   0.142
+  302ARG   HH22 4259  -1.168   0.261   0.048
+  302ARG      C 4260  -1.876   0.543   0.192
+  302ARG      O 4261  -1.989   0.500   0.198
+  303TYR      N 4262  -1.840   0.640   0.104
+  303TYR     HN 4263  -1.749   0.679   0.104
+  303TYR     CA 4264  -1.926   0.677  -0.006
+  303TYR     HA 4265  -1.981   0.590  -0.038
+  303TYR     CB 4266  -2.028   0.791   0.027
+  303TYR    HB1 4267  -2.085   0.761   0.118
+  303TYR    HB2 4268  -2.102   0.799  -0.055
+  303TYR     CG 4269  -1.969   0.928   0.051
+  303TYR    CD1 4270  -1.956   1.018  -0.056
+  303TYR    HD1 4271  -1.979   0.986  -0.157
+  303TYR    CE1 4272  -1.915   1.151  -0.034
+  303TYR    HE1 4273  -1.905   1.219  -0.116
+  303TYR     CZ 4274  -1.886   1.193   0.096
+  303TYR     OH 4275  -1.848   1.327   0.119
+  303TYR     HH 4276  -1.815   1.334   0.210
+  303TYR    CD2 4277  -1.939   0.972   0.180
+  303TYR    HD2 4278  -1.950   0.903   0.263
+  303TYR    CE2 4279  -1.897   1.104   0.203
+  303TYR    HE2 4280  -1.873   1.136   0.303
+  303TYR      C 4281  -1.837   0.712  -0.123
+  303TYR      O 4282  -1.714   0.733  -0.108
+  304TYR      N 4283  -1.894   0.716  -0.242
+  304TYR     HN 4284  -1.994   0.698  -0.250
+  304TYR     CA 4285  -1.826   0.738  -0.366
+  304TYR     HA 4286  -1.726   0.774  -0.348
+  304TYR     CB 4287  -1.825   0.613  -0.459
+  304TYR    HB1 4288  -1.759   0.631  -0.547
+  304TYR    HB2 4289  -1.927   0.591  -0.497
+  304TYR     CG 4290  -1.778   0.488  -0.388
+  304TYR    CD1 4291  -1.864   0.415  -0.304
+  304TYR    HD1 4292  -1.965   0.450  -0.287
+  304TYR    CE1 4293  -1.819   0.298  -0.241
+  304TYR    HE1 4294  -1.885   0.244  -0.173
+  304TYR     CZ 4295  -1.691   0.250  -0.264
+  304TYR     OH 4296  -1.638   0.139  -0.192
+  304TYR     HH 4297  -1.602   0.074  -0.254
+  304TYR    CD2 4298  -1.650   0.437  -0.413
+  304TYR    HD2 4299  -1.583   0.488  -0.480
+  304TYR    CE2 4300  -1.606   0.317  -0.352
+  304TYR    HE2 4301  -1.507   0.279  -0.371
+  304TYR      C 4302  -1.906   0.846  -0.436
+  304TYR      O 4303  -2.025   0.862  -0.414
+  305VAL      N 4304  -1.839   0.923  -0.524
+  305VAL     HN 4305  -1.742   0.909  -0.540
+  305VAL     CA 4306  -1.909   1.019  -0.608
+  305VAL     HA 4307  -2.014   0.998  -0.608
+  305VAL     CB 4308  -1.890   1.166  -0.567
+  305VAL     HB 4309  -1.783   1.196  -0.580
+  305VAL    CG1 4310  -1.977   1.258  -0.655
+  305VAL   HG11 4311  -2.085   1.231  -0.645
+  305VAL   HG12 4312  -1.948   1.251  -0.762
+  305VAL   HG13 4313  -1.964   1.363  -0.623
+  305VAL    CG2 4314  -1.926   1.184  -0.419
+  305VAL   HG21 4315  -1.855   1.128  -0.354
+  305VAL   HG22 4316  -2.029   1.148  -0.398
+  305VAL   HG23 4317  -1.920   1.291  -0.390
+  305VAL      C 4318  -1.859   0.997  -0.748
+  305VAL      O 4319  -1.737   0.999  -0.774
+  306GLN      N 4320  -1.948   0.975  -0.845
+  306GLN     HN 4321  -2.046   0.966  -0.823
+  306GLN     CA 4322  -1.909   0.973  -0.984
+  306GLN     HA 4323  -1.817   1.028  -0.996
+  306GLN     CB 4324  -1.886   0.831  -1.040
+  306GLN    HB1 4325  -1.979   0.770  -1.028
+  306GLN    HB2 4326  -1.808   0.783  -0.977
+  306GLN     CG 4327  -1.840   0.830  -1.187
+  306GLN    HG1 4328  -1.753   0.898  -1.200
+  306GLN    HG2 4329  -1.922   0.866  -1.253
+  306GLN     CD 4330  -1.802   0.690  -1.235
+  306GLN    OE1 4331  -1.890   0.609  -1.269
+  306GLN    NE2 4332  -1.671   0.660  -1.239
+  306GLN   HE21 4333  -1.643   0.568  -1.270
+  306GLN   HE22 4334  -1.602   0.728  -1.214
+  306GLN      C 4335  -2.013   1.047  -1.065
+  306GLN      O 4336  -2.132   1.022  -1.058
+  307ASN      N 4337  -1.967   1.148  -1.142
+  307ASN     HN 4338  -1.869   1.165  -1.140
+  307ASN     CA 4339  -2.049   1.230  -1.229
+  307ASN     HA 4340  -1.982   1.301  -1.274
+  307ASN     CB 4341  -2.118   1.150  -1.344
+  307ASN    HB1 4342  -2.176   1.219  -1.409
+  307ASN    HB2 4343  -2.188   1.075  -1.301
+  307ASN     CG 4344  -2.013   1.082  -1.431
+  307ASN    OD1 4345  -1.898   1.124  -1.437
+  307ASN    ND2 4346  -2.055   0.975  -1.501
+  307ASN   HD21 4347  -1.984   0.918  -1.545
+  307ASN   HD22 4348  -2.149   0.944  -1.495
+  307ASN      C 4349  -2.149   1.317  -1.153
+  307ASN      O 4350  -2.254   1.356  -1.205
+  308GLY      N 4351  -2.114   1.350  -1.027
+  308GLY     HN 4352  -2.029   1.313  -0.992
+  308GLY     CA 4353  -2.192   1.436  -0.938
+  308GLY    HA1 4354  -2.246   1.509  -0.996
+  308GLY    HA2 4355  -2.122   1.478  -0.868
+  308GLY      C 4356  -2.293   1.360  -0.857
+  308GLY      O 4357  -2.365   1.417  -0.776
+  309VAL      N 4358  -2.298   1.227  -0.877
+  309VAL     HN 4359  -2.232   1.182  -0.937
+  309VAL     CA 4360  -2.397   1.140  -0.820
+  309VAL     HA 4361  -2.481   1.197  -0.782
+  309VAL     CB 4362  -2.446   1.036  -0.920
+  309VAL     HB 4363  -2.361   0.971  -0.952
+  309VAL    CG1 4364  -2.555   0.948  -0.856
+  309VAL   HG11 4365  -2.639   1.010  -0.819
+  309VAL   HG12 4366  -2.515   0.886  -0.773
+  309VAL   HG13 4367  -2.595   0.878  -0.932
+  309VAL    CG2 4368  -2.502   1.106  -1.046
+  309VAL   HG21 4369  -2.435   1.187  -1.082
+  309VAL   HG22 4370  -2.603   1.147  -1.025
+  309VAL   HG23 4371  -2.512   1.031  -1.127
+  309VAL      C 4372  -2.330   1.070  -0.705
+  309VAL      O 4373  -2.224   1.010  -0.720
+  310THR      N 4374  -2.390   1.080  -0.585
+  310THR     HN 4375  -2.478   1.125  -0.576
+  310THR     CA 4376  -2.333   1.022  -0.464
+  310THR     HA 4377  -2.227   1.010  -0.477
+  310THR     CB 4378  -2.355   1.110  -0.343
+  310THR     HB 4379  -2.464   1.127  -0.326
+  310THR    OG1 4380  -2.293   1.237  -0.364
+  310THR    HG1 4381  -2.316   1.262  -0.454
+  310THR    CG2 4382  -2.292   1.050  -0.216
+  310THR   HG21 4383  -2.186   1.024  -0.235
+  310THR   HG22 4384  -2.346   0.959  -0.183
+  310THR   HG23 4385  -2.296   1.123  -0.133
+  310THR      C 4386  -2.393   0.885  -0.441
+  310THR      O 4387  -2.513   0.865  -0.440
+  311PHE      N 4388  -2.304   0.785  -0.421
+  311PHE     HN 4389  -2.206   0.804  -0.422
+  311PHE     CA 4390  -2.342   0.649  -0.391
+  311PHE     HA 4391  -2.450   0.639  -0.384
+  311PHE     CB 4392  -2.286   0.547  -0.494
+  311PHE    HB1 4393  -2.318   0.444  -0.468
+  311PHE    HB2 4394  -2.175   0.549  -0.495
+  311PHE     CG 4395  -2.336   0.579  -0.632
+  311PHE    CD1 4396  -2.458   0.528  -0.677
+  311PHE    HD1 4397  -2.519   0.468  -0.611
+  311PHE    CE1 4398  -2.502   0.551  -0.809
+  311PHE    HE1 4399  -2.596   0.511  -0.842
+  311PHE     CZ 4400  -2.421   0.624  -0.897
+  311PHE     HZ 4401  -2.453   0.639  -0.999
+  311PHE    CD2 4402  -2.257   0.654  -0.721
+  311PHE    HD2 4403  -2.162   0.693  -0.688
+  311PHE    CE2 4404  -2.299   0.676  -0.853
+  311PHE    HE2 4405  -2.236   0.732  -0.921
+  311PHE      C 4406  -2.283   0.618  -0.257
+  311PHE      O 4407  -2.162   0.633  -0.236
+  312GLN      N 4408  -2.364   0.575  -0.160
+  312GLN     HN 4409  -2.461   0.563  -0.177
+  312GLN     CA 4410  -2.314   0.516  -0.037
+  312GLN     HA 4411  -2.235   0.578   0.002
+  312GLN     CB 4412  -2.429   0.502   0.067
+  312GLN    HB1 4413  -2.499   0.421   0.034
+  312GLN    HB2 4414  -2.487   0.597   0.066
+  312GLN     CG 4415  -2.385   0.475   0.213
+  312GLN    HG1 4416  -2.324   0.382   0.217
+  312GLN    HG2 4417  -2.476   0.459   0.274
+  312GLN     CD 4418  -2.306   0.591   0.274
+  312GLN    OE1 4419  -2.307   0.705   0.228
+  312GLN    NE2 4420  -2.240   0.563   0.389
+  312GLN   HE21 4421  -2.181   0.635   0.424
+  312GLN   HE22 4422  -2.234   0.468   0.420
+  312GLN      C 4423  -2.257   0.379  -0.071
+  312GLN      O 4424  -2.300   0.317  -0.168
+  313GLN      N 4425  -2.159   0.329   0.008
+  313GLN     HN 4426  -2.118   0.385   0.079
+  313GLN     CA 4427  -2.122   0.187   0.013
+  313GLN     HA 4428  -2.056   0.169  -0.070
+  313GLN     CB 4429  -2.045   0.162   0.146
+  313GLN    HB1 4430  -2.115   0.180   0.231
+  313GLN    HB2 4431  -1.965   0.238   0.154
+  313GLN     CG 4432  -1.982   0.022   0.166
+  313GLN    HG1 4433  -2.054  -0.058   0.142
+  313GLN    HG2 4434  -1.952   0.009   0.272
+  313GLN     CD 4435  -1.860   0.003   0.075
+  313GLN    OE1 4436  -1.875  -0.005  -0.046
+  313GLN    NE2 4437  -1.738  -0.002   0.134
+  313GLN   HE21 4438  -1.661  -0.021   0.074
+  313GLN   HE22 4439  -1.730  -0.007   0.233
+  313GLN      C 4440  -2.244   0.094   0.004
+  313GLN      O 4441  -2.340   0.118   0.075
+  314PRO      N 4442  -2.251  -0.009  -0.083
+  314PRO     CD 4443  -2.161  -0.034  -0.194
+  314PRO    HD1 4444  -2.072  -0.091  -0.158
+  314PRO    HD2 4445  -2.128   0.061  -0.243
+  314PRO     CA 4446  -2.364  -0.100  -0.085
+  314PRO     HA 4447  -2.451  -0.040  -0.109
+  314PRO     CB 4448  -2.331  -0.201  -0.195
+  314PRO    HB1 4449  -2.422  -0.241  -0.243
+  314PRO    HB2 4450  -2.270  -0.286  -0.154
+  314PRO     CG 4451  -2.243  -0.120  -0.290
+  314PRO    HG1 4452  -2.179  -0.184  -0.354
+  314PRO    HG2 4453  -2.306  -0.054  -0.354
+  314PRO      C 4454  -2.392  -0.167   0.047
+  314PRO      O 4455  -2.299  -0.198   0.121
+  315ASN      N 4456  -2.520  -0.194   0.078
+  315ASN     HN 4457  -2.594  -0.158   0.024
+  315ASN     CA 4458  -2.554  -0.289   0.181
+  315ASN     HA 4459  -2.500  -0.259   0.270
+  315ASN     CB 4460  -2.706  -0.296   0.211
+  315ASN    HB1 4461  -2.730  -0.388   0.267
+  315ASN    HB2 4462  -2.763  -0.298   0.116
+  315ASN     CG 4463  -2.748  -0.174   0.292
+  315ASN    OD1 4464  -2.734  -0.058   0.252
+  315ASN    ND2 4465  -2.806  -0.199   0.411
+  315ASN   HD21 4466  -2.835  -0.124   0.470
+  315ASN   HD22 4467  -2.832  -0.293   0.436
+  315ASN      C 4468  -2.503  -0.428   0.147
+  315ASN      O 4469  -2.507  -0.471   0.030
+  316ALA      N 4470  -2.455  -0.496   0.250
+  316ALA     HN 4471  -2.450  -0.455   0.341
+  316ALA     CA 4472  -2.411  -0.632   0.246
+  316ALA     HA 4473  -2.435  -0.678   0.151
+  316ALA     CB 4474  -2.260  -0.638   0.274
+  316ALA    HB1 4475  -2.235  -0.588   0.370
+  316ALA    HB2 4476  -2.204  -0.586   0.193
+  316ALA    HB3 4477  -2.223  -0.743   0.279
+  316ALA      C 4478  -2.489  -0.700   0.356
+  316ALA      O 4479  -2.507  -0.647   0.463
+  317GLU      N 4480  -2.540  -0.822   0.326
+  317GLU     HN 4481  -2.529  -0.863   0.237
+  317GLU     CA 4482  -2.610  -0.900   0.425
+  317GLU     HA 4483  -2.613  -0.849   0.521
+  317GLU     CB 4484  -2.755  -0.934   0.382
+  317GLU    HB1 4485  -2.803  -0.988   0.468
+  317GLU    HB2 4486  -2.754  -1.001   0.294
+  317GLU     CG 4487  -2.837  -0.807   0.348
+  317GLU    HG1 4488  -2.807  -0.767   0.249
+  317GLU    HG2 4489  -2.816  -0.729   0.425
+  317GLU     CD 4490  -2.988  -0.831   0.349
+  317GLU    OE1 4491  -3.040  -0.859   0.458
+  317GLU    OE2 4492  -3.053  -0.812   0.241
+  317GLU      C 4493  -2.527  -1.024   0.443
+  317GLU      O 4494  -2.507  -1.103   0.348
+  318LEU      N 4495  -2.470  -1.042   0.562
+  318LEU     HN 4496  -2.495  -0.981   0.638
+  318LEU     CA 4497  -2.371  -1.142   0.588
+  318LEU     HA 4498  -2.380  -1.223   0.517
+  318LEU     CB 4499  -2.230  -1.077   0.578
+  318LEU    HB1 4500  -2.220  -0.999   0.658
+  318LEU    HB2 4501  -2.225  -1.024   0.481
+  318LEU     CG 4502  -2.109  -1.172   0.584
+  318LEU     HG 4503  -2.113  -1.230   0.679
+  318LEU    CD1 4504  -2.108  -1.270   0.467
+  318LEU   HD11 4505  -2.107  -1.215   0.370
+  318LEU   HD12 4506  -2.197  -1.337   0.468
+  318LEU   HD13 4507  -2.017  -1.334   0.472
+  318LEU    CD2 4508  -1.980  -1.090   0.585
+  318LEU   HD21 4509  -1.969  -1.032   0.679
+  318LEU   HD22 4510  -1.978  -1.018   0.500
+  318LEU   HD23 4511  -1.891  -1.156   0.574
+  318LEU      C 4512  -2.400  -1.195   0.727
+  318LEU      O 4513  -2.394  -1.123   0.825
+  319GLY      N 4514  -2.437  -1.325   0.740
+  319GLY     HN 4515  -2.440  -1.384   0.660
+  319GLY     CA 4516  -2.472  -1.382   0.870
+  319GLY    HA1 4517  -2.386  -1.372   0.934
+  319GLY    HA2 4518  -2.497  -1.486   0.852
+  319GLY      C 4519  -2.591  -1.319   0.939
+  319GLY      O 4520  -2.705  -1.327   0.895
+  320SER      N 4521  -2.568  -1.257   1.057
+  320SER     HN 4522  -2.476  -1.258   1.095
+  320SER     CA 4523  -2.669  -1.183   1.130
+  320SER     HA 4524  -2.768  -1.209   1.095
+  320SER     CB 4525  -2.661  -1.212   1.283
+  320SER    HB1 4526  -2.681  -1.320   1.296
+  320SER    HB2 4527  -2.740  -1.156   1.339
+  320SER     OG 4528  -2.532  -1.185   1.339
+  320SER    HG1 4529  -2.509  -1.094   1.316
+  320SER      C 4530  -2.656  -1.033   1.112
+  320SER      O 4531  -2.729  -0.955   1.171
+  321TYR      N 4532  -2.559  -0.992   1.027
+  321TYR     HN 4533  -2.506  -1.058   0.974
+  321TYR     CA 4534  -2.532  -0.855   0.994
+  321TYR     HA 4535  -2.568  -0.791   1.074
+  321TYR     CB 4536  -2.378  -0.831   0.980
+  321TYR    HB1 4537  -2.335  -0.905   0.910
+  321TYR    HB2 4538  -2.329  -0.846   1.079
+  321TYR     CG 4539  -2.343  -0.694   0.929
+  321TYR    CD1 4540  -2.327  -0.670   0.791
+  321TYR    HD1 4541  -2.337  -0.752   0.721
+  321TYR    CE1 4542  -2.303  -0.540   0.744
+  321TYR    HE1 4543  -2.293  -0.522   0.638
+  321TYR     CZ 4544  -2.292  -0.435   0.835
+  321TYR     OH 4545  -2.270  -0.301   0.795
+  321TYR     HH 4546  -2.209  -0.264   0.859
+  321TYR    CD2 4547  -2.328  -0.588   1.019
+  321TYR    HD2 4548  -2.338  -0.605   1.125
+  321TYR    CE2 4549  -2.301  -0.459   0.972
+  321TYR    HE2 4550  -2.289  -0.378   1.042
+  321TYR      C 4551  -2.610  -0.812   0.870
+  321TYR      O 4552  -2.629  -0.889   0.774
+  322SER      N 4553  -2.654  -0.687   0.868
+  322SER     HN 4554  -2.632  -0.627   0.944
+  322SER     CA 4555  -2.707  -0.620   0.751
+  322SER     HA 4556  -2.659  -0.658   0.662
+  322SER     CB 4557  -2.861  -0.629   0.739
+  322SER    HB1 4558  -2.910  -0.580   0.826
+  322SER    HB2 4559  -2.891  -0.736   0.739
+  322SER     OG 4560  -2.907  -0.568   0.618
+  322SER    HG1 4561  -2.932  -0.641   0.559
+  322SER      C 4562  -2.666  -0.476   0.774
+  322SER      O 4563  -2.669  -0.428   0.885
+  323GLY      N 4564  -2.621  -0.408   0.665
+  323GLY     HN 4565  -2.607  -0.456   0.579
+  323GLY     CA 4566  -2.578  -0.269   0.673
+  323GLY    HA1 4567  -2.533  -0.250   0.769
+  323GLY    HA2 4568  -2.663  -0.206   0.651
+  323GLY      C 4569  -2.474  -0.240   0.569
+  323GLY      O 4570  -2.440  -0.326   0.486
+  324ASN      N 4571  -2.423  -0.116   0.567
+  324ASN     HN 4572  -2.457  -0.048   0.632
+  324ASN     CA 4573  -2.320  -0.069   0.475
+  324ASN     HA 4574  -2.280  -0.153   0.419
+  324ASN     CB 4575  -2.383   0.030   0.374
+  324ASN    HB1 4576  -2.454  -0.027   0.311
+  324ASN    HB2 4577  -2.304   0.071   0.308
+  324ASN     CG 4578  -2.458   0.147   0.438
+  324ASN    OD1 4579  -2.446   0.184   0.556
+  324ASN    ND2 4580  -2.547   0.209   0.357
+  324ASN   HD21 4581  -2.554   0.177   0.263
+  324ASN   HD22 4582  -2.605   0.279   0.397
+  324ASN      C 4583  -2.203  -0.005   0.547
+  324ASN      O 4584  -2.129   0.079   0.491
+  325GLU      N 4585  -2.183  -0.039   0.674
+  325GLU     HN 4586  -2.236  -0.116   0.712
+  325GLU     CA 4587  -2.086   0.022   0.762
+  325GLU     HA 4588  -2.027   0.094   0.708
+  325GLU     CB 4589  -2.157   0.091   0.881
+  325GLU    HB1 4590  -2.229   0.019   0.924
+  325GLU    HB2 4591  -2.216   0.176   0.839
+  325GLU     CG 4592  -2.066   0.142   0.996
+  325GLU    HG1 4593  -1.990   0.214   0.959
+  325GLU    HG2 4594  -2.012   0.058   1.042
+  325GLU     CD 4595  -2.150   0.210   1.104
+  325GLU    OE1 4596  -2.157   0.154   1.216
+  325GLU    OE2 4597  -2.214   0.316   1.075
+  325GLU      C 4598  -1.990  -0.084   0.814
+  325GLU      O 4599  -2.032  -0.183   0.871
+  326LEU      N 4600  -1.858  -0.061   0.794
+  326LEU     HN 4601  -1.824   0.022   0.752
+  326LEU     CA 4602  -1.755  -0.149   0.846
+  326LEU     HA 4603  -1.786  -0.252   0.830
+  326LEU     CB 4604  -1.622  -0.125   0.771
+  326LEU    HB1 4605  -1.576  -0.029   0.803
+  326LEU    HB2 4606  -1.648  -0.114   0.663
+  326LEU     CG 4607  -1.517  -0.238   0.777
+  326LEU     HG 4608  -1.567  -0.335   0.753
+  326LEU    CD1 4609  -1.410  -0.215   0.668
+  326LEU   HD11 4610  -1.353  -0.122   0.687
+  326LEU   HD12 4611  -1.457  -0.208   0.567
+  326LEU   HD13 4612  -1.339  -0.300   0.666
+  326LEU    CD2 4613  -1.448  -0.253   0.914
+  326LEU   HD21 4614  -1.520  -0.282   0.992
+  326LEU   HD22 4615  -1.398  -0.158   0.943
+  326LEU   HD23 4616  -1.371  -0.333   0.907
+  326LEU      C 4617  -1.745  -0.123   0.996
+  326LEU      O 4618  -1.704  -0.016   1.042
+  327ASN      N 4619  -1.787  -0.222   1.076
+  327ASN     HN 4620  -1.818  -0.308   1.037
+  327ASN     CA 4621  -1.801  -0.209   1.219
+  327ASN     HA 4622  -1.723  -0.145   1.255
+  327ASN     CB 4623  -1.939  -0.148   1.262
+  327ASN    HB1 4624  -1.943  -0.044   1.222
+  327ASN    HB2 4625  -1.945  -0.142   1.372
+  327ASN     CG 4626  -2.062  -0.224   1.212
+  327ASN    OD1 4627  -2.059  -0.341   1.176
+  327ASN    ND2 4628  -2.177  -0.152   1.214
+  327ASN   HD21 4629  -2.175  -0.055   1.234
+  327ASN   HD22 4630  -2.261  -0.200   1.186
+  327ASN      C 4631  -1.775  -0.346   1.279
+  327ASN      O 4632  -1.757  -0.445   1.207
+  328ASP      N 4633  -1.770  -0.358   1.413
+  328ASP     HN 4634  -1.779  -0.279   1.473
+  328ASP     CA 4635  -1.741  -0.483   1.481
+  328ASP     HA 4636  -1.644  -0.517   1.446
+  328ASP     CB 4637  -1.735  -0.461   1.635
+  328ASP    HB1 4638  -1.719  -0.559   1.686
+  328ASP    HB2 4639  -1.831  -0.418   1.670
+  328ASP     CG 4640  -1.622  -0.368   1.677
+  328ASP    OD1 4641  -1.504  -0.414   1.681
+  328ASP    OD2 4642  -1.653  -0.250   1.706
+  328ASP      C 4643  -1.841  -0.594   1.448
+  328ASP      O 4644  -1.801  -0.711   1.432
+  329ASP      N 4645  -1.972  -0.561   1.434
+  329ASP     HN 4646  -2.002  -0.468   1.449
+  329ASP     CA 4647  -2.076  -0.654   1.393
+  329ASP     HA 4648  -2.073  -0.737   1.462
+  329ASP     CB 4649  -2.220  -0.590   1.397
+  329ASP    HB1 4650  -2.292  -0.662   1.352
+  329ASP    HB2 4651  -2.221  -0.497   1.337
+  329ASP     CG 4652  -2.276  -0.559   1.536
+  329ASP    OD1 4653  -2.211  -0.596   1.638
+  329ASP    OD2 4654  -2.389  -0.504   1.543
+  329ASP      C 4655  -2.050  -0.712   1.255
+  329ASP      O 4656  -2.065  -0.835   1.236
+  330TYR      N 4657  -2.009  -0.632   1.155
+  330TYR     HN 4658  -2.001  -0.532   1.170
+  330TYR     CA 4659  -1.967  -0.678   1.023
+  330TYR     HA 4660  -2.049  -0.736   0.981
+  330TYR     CB 4661  -1.938  -0.558   0.927
+  330TYR    HB1 4662  -1.870  -0.487   0.977
+  330TYR    HB2 4663  -2.032  -0.503   0.904
+  330TYR     CG 4664  -1.875  -0.600   0.796
+  330TYR    CD1 4665  -1.949  -0.670   0.699
+  330TYR    HD1 4666  -2.054  -0.688   0.715
+  330TYR    CE1 4667  -1.887  -0.720   0.584
+  330TYR    HE1 4668  -1.944  -0.776   0.511
+  330TYR     CZ 4669  -1.750  -0.703   0.565
+  330TYR     OH 4670  -1.687  -0.758   0.452
+  330TYR     HH 4671  -1.592  -0.771   0.469
+  330TYR    CD2 4672  -1.738  -0.579   0.773
+  330TYR    HD2 4673  -1.678  -0.527   0.846
+  330TYR    CE2 4674  -1.675  -0.631   0.659
+  330TYR    HE2 4675  -1.568  -0.620   0.644
+  330TYR      C 4676  -1.849  -0.774   1.029
+  330TYR      O 4677  -1.853  -0.883   0.974
+  331CYS      N 4678  -1.742  -0.736   1.102
+  331CYS     HN 4679  -1.742  -0.648   1.148
+  331CYS     CA 4680  -1.619  -0.815   1.108
+  331CYS     HA 4681  -1.591  -0.840   1.007
+  331CYS     CB 4682  -1.506  -0.734   1.175
+  331CYS    HB1 4683  -1.413  -0.795   1.176
+  331CYS    HB2 4684  -1.535  -0.710   1.280
+  331CYS     SG 4685  -1.474  -0.579   1.087
+  331CYS      C 4686  -1.638  -0.945   1.181
+  331CYS      O 4687  -1.584  -1.051   1.141
+  332THR      N 4688  -1.718  -0.946   1.287
+  332THR     HN 4689  -1.761  -0.859   1.315
+  332THR     CA 4690  -1.757  -1.067   1.360
+  332THR     HA 4691  -1.666  -1.118   1.390
+  332THR     CB 4692  -1.841  -1.035   1.484
+  332THR     HB 4693  -1.936  -0.985   1.454
+  332THR    OG1 4694  -1.771  -0.947   1.572
+  332THR    HG1 4695  -1.764  -0.863   1.523
+  332THR    CG2 4696  -1.872  -1.163   1.564
+  332THR   HG21 4697  -1.777  -1.211   1.595
+  332THR   HG22 4698  -1.929  -1.235   1.503
+  332THR   HG23 4699  -1.930  -1.138   1.655
+  332THR      C 4700  -1.837  -1.161   1.272
+  332THR      O 4701  -1.816  -1.284   1.271
+  333ALA      N 4702  -1.931  -1.107   1.194
+  333ALA     HN 4703  -1.946  -1.008   1.193
+  333ALA     CA 4704  -2.007  -1.182   1.095
+  333ALA     HA 4705  -2.053  -1.265   1.145
+  333ALA     CB 4706  -2.116  -1.092   1.033
+  333ALA    HB1 4707  -2.071  -1.005   0.980
+  333ALA    HB2 4708  -2.183  -1.052   1.113
+  333ALA    HB3 4709  -2.177  -1.149   0.960
+  333ALA      C 4710  -1.921  -1.237   0.984
+  333ALA      O 4711  -1.937  -1.357   0.946
+  334GLU      N 4712  -1.826  -1.161   0.931
+  334GLU     HN 4713  -1.816  -1.064   0.959
+  334GLU     CA 4714  -1.736  -1.202   0.826
+  334GLU     HA 4715  -1.795  -1.236   0.743
+  334GLU     CB 4716  -1.650  -1.083   0.780
+  334GLU    HB1 4717  -1.584  -1.048   0.861
+  334GLU    HB2 4718  -1.717  -0.998   0.753
+  334GLU     CG 4719  -1.565  -1.119   0.655
+  334GLU    HG1 4720  -1.633  -1.148   0.573
+  334GLU    HG2 4721  -1.494  -1.201   0.674
+  334GLU     CD 4722  -1.485  -0.999   0.606
+  334GLU    OE1 4723  -1.466  -0.903   0.680
+  334GLU    OE2 4724  -1.446  -1.010   0.484
+  334GLU      C 4725  -1.648  -1.320   0.865
+  334GLU      O 4726  -1.639  -1.419   0.794
+  335GLU      N 4727  -1.589  -1.316   0.987
+  335GLU     HN 4728  -1.594  -1.233   1.042
+  335GLU     CA 4729  -1.513  -1.428   1.043
+  335GLU     HA 4730  -1.435  -1.453   0.972
+  335GLU     CB 4731  -1.448  -1.390   1.178
+  335GLU    HB1 4732  -1.406  -1.482   1.225
+  335GLU    HB2 4733  -1.526  -1.348   1.246
+  335GLU     CG 4734  -1.330  -1.288   1.168
+  335GLU    HG1 4735  -1.367  -1.193   1.126
+  335GLU    HG2 4736  -1.252  -1.327   1.101
+  335GLU     CD 4737  -1.271  -1.260   1.307
+  335GLU    OE1 4738  -1.346  -1.257   1.404
+  335GLU    OE2 4739  -1.144  -1.242   1.319
+  335GLU      C 4740  -1.599  -1.553   1.062
+  335GLU      O 4741  -1.554  -1.668   1.045
+  336ALA      N 4742  -1.725  -1.539   1.103
+  336ALA     HN 4743  -1.762  -1.447   1.119
+  336ALA     CA 4744  -1.818  -1.651   1.110
+  336ALA     HA 4745  -1.771  -1.729   1.167
+  336ALA     CB 4746  -1.946  -1.607   1.184
+  336ALA    HB1 4747  -2.002  -1.532   1.123
+  336ALA    HB2 4748  -1.920  -1.560   1.281
+  336ALA    HB3 4749  -2.012  -1.694   1.202
+  336ALA      C 4750  -1.853  -1.713   0.976
+  336ALA      O 4751  -1.860  -1.838   0.966
+  337GLU      N 4752  -1.876  -1.634   0.872
+  337GLU     HN 4753  -1.869  -1.534   0.883
+  337GLU     CA 4754  -1.927  -1.680   0.744
+  337GLU     HA 4755  -1.989  -1.767   0.761
+  337GLU     CB 4756  -2.013  -1.570   0.678
+  337GLU    HB1 4757  -2.039  -1.598   0.574
+  337GLU    HB2 4758  -1.953  -1.476   0.674
+  337GLU     CG 4759  -2.146  -1.540   0.753
+  337GLU    HG1 4760  -2.194  -1.453   0.705
+  337GLU    HG2 4761  -2.125  -1.513   0.859
+  337GLU     CD 4762  -2.247  -1.655   0.753
+  337GLU    OE1 4763  -2.296  -1.689   0.640
+  337GLU    OE2 4764  -2.281  -1.709   0.860
+  337GLU      C 4765  -1.816  -1.721   0.649
+  337GLU      O 4766  -1.829  -1.825   0.580
+  338PHE      N 4767  -1.706  -1.646   0.642
+  338PHE     HN 4768  -1.696  -1.562   0.699
+  338PHE     CA 4769  -1.595  -1.668   0.549
+  338PHE     HA 4770  -1.625  -1.737   0.471
+  338PHE     CB 4771  -1.544  -1.535   0.486
+  338PHE    HB1 4772  -1.459  -1.557   0.418
+  338PHE    HB2 4773  -1.509  -1.466   0.566
+  338PHE     CG 4774  -1.644  -1.458   0.401
+  338PHE    CD1 4775  -1.766  -1.511   0.356
+  338PHE    HD1 4776  -1.796  -1.610   0.384
+  338PHE    CE1 4777  -1.850  -1.435   0.273
+  338PHE    HE1 4778  -1.945  -1.476   0.241
+  338PHE     CZ 4779  -1.812  -1.306   0.234
+  338PHE     HZ 4780  -1.876  -1.248   0.169
+  338PHE    CD2 4781  -1.608  -1.328   0.362
+  338PHE    HD2 4782  -1.515  -1.285   0.397
+  338PHE    CE2 4783  -1.691  -1.253   0.278
+  338PHE    HE2 4784  -1.661  -1.153   0.251
+  338PHE      C 4785  -1.478  -1.730   0.621
+  338PHE      O 4786  -1.375  -1.764   0.558
+  339GLY      N 4787  -1.487  -1.753   0.752
+  339GLY     HN 4788  -1.566  -1.717   0.803
+  339GLY     CA 4789  -1.380  -1.811   0.831
+  339GLY    HA1 4790  -1.336  -1.892   0.774
+  339GLY    HA2 4791  -1.423  -1.844   0.924
+  339GLY      C 4792  -1.268  -1.718   0.865
+  339GLY      O 4793  -1.260  -1.603   0.822
+  340GLY      N 4794  -1.175  -1.769   0.948
+  340GLY     HN 4795  -1.192  -1.860   0.986
+  340GLY     CA 4796  -1.063  -1.694   1.001
+  340GLY    HA1 4797  -1.044  -1.606   0.941
+  340GLY    HA2 4798  -0.979  -1.761   1.006
+  340GLY      C 4799  -1.088  -1.648   1.142
+  340GLY      O 4800  -1.190  -1.678   1.205
+  341SER      N 4801  -0.989  -1.578   1.197
+  341SER     HN 4802  -0.909  -1.555   1.142
+  341SER     CA 4803  -0.995  -1.529   1.333
+  341SER     HA 4804  -1.088  -1.475   1.345
+  341SER     CB 4805  -0.985  -1.642   1.441
+  341SER    HB1 4806  -1.069  -1.712   1.423
+  341SER    HB2 4807  -0.997  -1.597   1.542
+  341SER     OG 4808  -0.863  -1.717   1.437
+  341SER    HG1 4809  -0.791  -1.652   1.443
+  341SER      C 4810  -0.884  -1.431   1.362
+  341SER      O 4811  -0.873  -1.378   1.472
+  342SER      N 4812  -0.795  -1.403   1.265
+  342SER     HN 4813  -0.802  -1.438   1.171
+  342SER     CA 4814  -0.680  -1.317   1.282
+  342SER     HA 4815  -0.625  -1.357   1.366
+  342SER     CB 4816  -0.586  -1.324   1.160
+  342SER    HB1 4817  -0.539  -1.425   1.161
+  342SER    HB2 4818  -0.505  -1.248   1.165
+  342SER     OG 4819  -0.658  -1.311   1.038
+  342SER    HG1 4820  -0.655  -1.215   1.015
+  342SER      C 4821  -0.714  -1.174   1.322
+  342SER      O 4822  -0.646  -1.117   1.408
+  343PHE      N 4823  -0.821  -1.115   1.265
+  343PHE     HN 4824  -0.875  -1.163   1.196
+  343PHE     CA 4825  -0.869  -0.982   1.300
+  343PHE     HA 4826  -0.786  -0.914   1.289
+  343PHE     CB 4827  -0.984  -0.940   1.203
+  343PHE    HB1 4828  -1.071  -1.007   1.214
+  343PHE    HB2 4829  -0.946  -0.950   1.099
+  343PHE     CG 4830  -1.028  -0.796   1.221
+  343PHE    CD1 4831  -0.956  -0.693   1.159
+  343PHE    HD1 4832  -0.866  -0.718   1.104
+  343PHE    CE1 4833  -0.999  -0.560   1.164
+  343PHE    HE1 4834  -0.943  -0.484   1.113
+  343PHE     CZ 4835  -1.117  -0.529   1.232
+  343PHE     HZ 4836  -1.152  -0.427   1.232
+  343PHE    CD2 4837  -1.148  -0.763   1.288
+  343PHE    HD2 4838  -1.207  -0.842   1.332
+  343PHE    CE2 4839  -1.192  -0.630   1.293
+  343PHE    HE2 4840  -1.285  -0.605   1.341
+  343PHE      C 4841  -0.913  -0.973   1.446
+  343PHE      O 4842  -0.874  -0.883   1.522
+  344SER      N 4843  -0.993  -1.071   1.493
+  344SER     HN 4844  -1.027  -1.142   1.429
+  344SER     CA 4845  -1.036  -1.081   1.632
+  344SER     HA 4846  -1.071  -0.982   1.659
+  344SER     CB 4847  -1.155  -1.176   1.655
+  344SER    HB1 4848  -1.242  -1.137   1.597
+  344SER    HB2 4849  -1.184  -1.177   1.762
+  344SER     OG 4850  -1.129  -1.309   1.611
+  344SER    HG1 4851  -1.137  -1.303   1.513
+  344SER      C 4852  -0.925  -1.112   1.731
+  344SER      O 4853  -0.923  -1.057   1.842
+  345ASP      N 4854  -0.827  -1.198   1.692
+  345ASP     HN 4855  -0.838  -1.245   1.603
+  345ASP     CA 4856  -0.707  -1.233   1.767
+  345ASP     HA 4857  -0.739  -1.275   1.862
+  345ASP     CB 4858  -0.617  -1.337   1.691
+  345ASP    HB1 4859  -0.520  -1.346   1.744
+  345ASP    HB2 4860  -0.598  -1.298   1.589
+  345ASP     CG 4861  -0.671  -1.479   1.680
+  345ASP    OD1 4862  -0.764  -1.519   1.753
+  345ASP    OD2 4863  -0.605  -1.558   1.604
+  345ASP      C 4864  -0.622  -1.110   1.798
+  345ASP      O 4865  -0.565  -1.095   1.907
+  346LYS      N 4866  -0.613  -1.016   1.702
+  346LYS     HN 4867  -0.658  -1.031   1.614
+  346LYS     CA 4868  -0.534  -0.894   1.715
+  346LYS     HA 4869  -0.456  -0.909   1.788
+  346LYS     CB 4870  -0.464  -0.858   1.581
+  346LYS    HB1 4871  -0.444  -0.749   1.574
+  346LYS    HB2 4872  -0.533  -0.883   1.497
+  346LYS     CG 4873  -0.329  -0.928   1.560
+  346LYS    HG1 4874  -0.259  -0.892   1.639
+  346LYS    HG2 4875  -0.288  -0.894   1.462
+  346LYS     CD 4876  -0.333  -1.082   1.561
+  346LYS    HD1 4877  -0.402  -1.115   1.481
+  346LYS    HD2 4878  -0.374  -1.116   1.659
+  346LYS     CE 4879  -0.194  -1.143   1.541
+  346LYS    HE1 4880  -0.127  -1.114   1.625
+  346LYS    HE2 4881  -0.149  -1.108   1.447
+  346LYS     NZ 4882  -0.201  -1.290   1.537
+  346LYS    HZ1 4883  -0.264  -1.323   1.460
+  346LYS    HZ2 4884  -0.240  -1.326   1.625
+  346LYS    HZ3 4885  -0.105  -1.328   1.520
+  346LYS      C 4886  -0.615  -0.778   1.769
+  346LYS      O 4887  -0.568  -0.665   1.780
+  347GLY      N 4888  -0.740  -0.805   1.812
+  347GLY     HN 4889  -0.776  -0.897   1.797
+  347GLY     CA 4890  -0.816  -0.714   1.898
+  347GLY    HA1 4891  -0.749  -0.648   1.949
+  347GLY    HA2 4892  -0.872  -0.776   1.965
+  347GLY      C 4893  -0.915  -0.629   1.824
+  347GLY      O 4894  -0.972  -0.536   1.881
+  348GLY      N 4895  -0.940  -0.661   1.695
+  348GLY     HN 4896  -0.889  -0.738   1.653
+  348GLY     CA 4897  -1.033  -0.595   1.604
+  348GLY    HA1 4898  -1.133  -0.622   1.636
+  348GLY    HA2 4899  -1.009  -0.632   1.505
+  348GLY      C 4900  -1.026  -0.445   1.597
+  348GLY      O 4901  -0.918  -0.383   1.613
+  349LEU      N 4902  -1.139  -0.377   1.576
+  349LEU     HN 4903  -1.227  -0.424   1.566
+  349LEU     CA 4904  -1.144  -0.232   1.558
+  349LEU     HA 4905  -1.073  -0.207   1.481
+  349LEU     CB 4906  -1.284  -0.184   1.514
+  349LEU    HB1 4907  -1.289  -0.072   1.516
+  349LEU    HB2 4908  -1.360  -0.222   1.585
+  349LEU     CG 4909  -1.325  -0.226   1.371
+  349LEU     HG 4910  -1.319  -0.337   1.363
+  349LEU    CD1 4911  -1.470  -0.185   1.346
+  349LEU   HD11 4912  -1.480  -0.074   1.348
+  349LEU   HD12 4913  -1.536  -0.228   1.424
+  349LEU   HD13 4914  -1.503  -0.222   1.246
+  349LEU    CD2 4915  -1.235  -0.163   1.264
+  349LEU   HD21 4916  -1.129  -0.196   1.274
+  349LEU   HD22 4917  -1.239  -0.052   1.269
+  349LEU   HD23 4918  -1.270  -0.194   1.163
+  349LEU      C 4919  -1.103  -0.157   1.683
+  349LEU      O 4920  -1.052  -0.044   1.677
+  350THR      N 4921  -1.122  -0.216   1.801
+  350THR     HN 4922  -1.160  -0.308   1.799
+  350THR     CA 4923  -1.076  -0.159   1.927
+  350THR     HA 4924  -1.116  -0.059   1.933
+  350THR     CB 4925  -1.128  -0.238   2.046
+  350THR     HB 4926  -1.111  -0.347   2.027
+  350THR    OG1 4927  -1.267  -0.211   2.061
+  350THR    HG1 4928  -1.311  -0.247   1.982
+  350THR    CG2 4929  -1.063  -0.200   2.180
+  350THR   HG21 4930  -1.072  -0.091   2.198
+  350THR   HG22 4931  -0.956  -0.227   2.183
+  350THR   HG23 4932  -1.113  -0.255   2.262
+  350THR      C 4933  -0.927  -0.142   1.938
+  350THR      O 4934  -0.878  -0.036   1.981
+  351GLN      N 4935  -0.849  -0.243   1.898
+  351GLN     HN 4936  -0.889  -0.329   1.863
+  351GLN     CA 4937  -0.705  -0.232   1.887
+  351GLN     HA 4938  -0.668  -0.190   1.979
+  351GLN     CB 4939  -0.639  -0.370   1.862
+  351GLN    HB1 4940  -0.682  -0.415   1.770
+  351GLN    HB2 4941  -0.667  -0.437   1.946
+  351GLN     CG 4942  -0.485  -0.367   1.850
+  351GLN    HG1 4943  -0.456  -0.311   1.758
+  351GLN    HG2 4944  -0.446  -0.470   1.839
+  351GLN     CD 4945  -0.417  -0.303   1.972
+  351GLN    OE1 4946  -0.469  -0.286   2.080
+  351GLN    NE2 4947  -0.287  -0.268   1.951
+  351GLN   HE21 4948  -0.245  -0.291   1.863
+  351GLN   HE22 4949  -0.233  -0.241   2.030
+  351GLN      C 4950  -0.663  -0.138   1.776
+  351GLN      O 4951  -0.574  -0.052   1.794
+  352PHE      N 4952  -0.730  -0.147   1.661
+  352PHE     HN 4953  -0.801  -0.218   1.652
+  352PHE     CA 4954  -0.706  -0.071   1.541
+  352PHE     HA 4955  -0.603  -0.088   1.513
+  352PHE     CB 4956  -0.802  -0.121   1.430
+  352PHE    HB1 4957  -0.906  -0.095   1.455
+  352PHE    HB2 4958  -0.794  -0.231   1.416
+  352PHE     CG 4959  -0.766  -0.056   1.301
+  352PHE    CD1 4960  -0.639  -0.082   1.246
+  352PHE    HD1 4961  -0.573  -0.153   1.293
+  352PHE    CE1 4962  -0.596  -0.013   1.133
+  352PHE    HE1 4963  -0.498  -0.032   1.093
+  352PHE     CZ 4964  -0.680   0.080   1.072
+  352PHE     HZ 4965  -0.647   0.131   0.984
+  352PHE    CD2 4966  -0.851   0.037   1.238
+  352PHE    HD2 4967  -0.948   0.057   1.280
+  352PHE    CE2 4968  -0.808   0.105   1.124
+  352PHE    HE2 4969  -0.873   0.177   1.076
+  352PHE      C 4970  -0.722   0.079   1.564
+  352PHE      O 4971  -0.646   0.163   1.512
+  353LYS      N 4972  -0.818   0.118   1.648
+  353LYS     HN 4973  -0.877   0.047   1.687
+  353LYS     CA 4974  -0.853   0.255   1.681
+  353LYS     HA 4975  -0.881   0.303   1.589
+  353LYS     CB 4976  -0.974   0.252   1.777
+  353LYS    HB1 4977  -0.949   0.190   1.865
+  353LYS    HB2 4978  -1.057   0.202   1.722
+  353LYS     CG 4979  -1.023   0.390   1.824
+  353LYS    HG1 4980  -1.042   0.454   1.735
+  353LYS    HG2 4981  -0.946   0.439   1.887
+  353LYS     CD 4982  -1.152   0.375   1.906
+  353LYS    HD1 4983  -1.127   0.315   1.997
+  353LYS    HD2 4984  -1.225   0.317   1.845
+  353LYS     CE 4985  -1.214   0.508   1.946
+  353LYS    HE1 4986  -1.250   0.562   1.856
+  353LYS    HE2 4987  -1.140   0.572   1.998
+  353LYS     NZ 4988  -1.329   0.484   2.036
+  353LYS    HZ1 4989  -1.298   0.443   2.127
+  353LYS    HZ2 4990  -1.394   0.418   1.988
+  353LYS    HZ3 4991  -1.378   0.574   2.052
+  353LYS      C 4992  -0.738   0.335   1.741
+  353LYS      O 4993  -0.729   0.458   1.726
+  354LYS      N 4994  -0.646   0.267   1.811
+  354LYS     HN 4995  -0.655   0.168   1.818
+  354LYS     CA 4996  -0.521   0.323   1.860
+  354LYS     HA 4997  -0.546   0.408   1.921
+  354LYS     CB 4998  -0.444   0.219   1.944
+  354LYS    HB1 4999  -0.351   0.266   1.984
+  354LYS    HB2 5000  -0.414   0.135   1.878
+  354LYS     CG 5001  -0.525   0.162   2.061
+  354LYS    HG1 5002  -0.620   0.117   2.022
+  354LYS    HG2 5003  -0.553   0.243   2.131
+  354LYS     CD 5004  -0.448   0.051   2.134
+  354LYS    HD1 5005  -0.354   0.094   2.175
+  354LYS    HD2 5006  -0.420  -0.025   2.058
+  354LYS     CE 5007  -0.529  -0.015   2.246
+  354LYS    HE1 5008  -0.624  -0.055   2.205
+  354LYS    HE2 5009  -0.551   0.059   2.326
+  354LYS     NZ 5010  -0.453  -0.128   2.305
+  354LYS    HZ1 5011  -0.355  -0.097   2.329
+  354LYS    HZ2 5012  -0.445  -0.203   2.232
+  354LYS    HZ3 5013  -0.499  -0.168   2.389
+  354LYS      C 5014  -0.431   0.373   1.748
+  354LYS      O 5015  -0.373   0.483   1.759
+  355ALA      N 5016  -0.419   0.299   1.637
+  355ALA     HN 5017  -0.472   0.214   1.625
+  355ALA     CA 5018  -0.344   0.337   1.518
+  355ALA     HA 5019  -0.242   0.359   1.548
+  355ALA     CB 5020  -0.343   0.223   1.415
+  355ALA    HB1 5021  -0.444   0.204   1.373
+  355ALA    HB2 5022  -0.307   0.129   1.462
+  355ALA    HB3 5023  -0.275   0.247   1.331
+  355ALA      C 5024  -0.399   0.464   1.455
+  355ALA      O 5025  -0.325   0.558   1.425
+  356THR      N 5026  -0.532   0.474   1.442
+  356THR     HN 5027  -0.591   0.396   1.466
+  356THR     CA 5028  -0.598   0.590   1.383
+  356THR     HA 5029  -0.539   0.620   1.297
+  356THR     CB 5030  -0.740   0.561   1.335
+  356THR     HB 5031  -0.789   0.654   1.297
+  356THR    OG1 5032  -0.821   0.504   1.437
+  356THR    HG1 5033  -0.818   0.563   1.513
+  356THR    CG2 5034  -0.734   0.461   1.219
+  356THR   HG21 5035  -0.690   0.364   1.252
+  356THR   HG22 5036  -0.672   0.500   1.136
+  356THR   HG23 5037  -0.836   0.440   1.180
+  356THR      C 5038  -0.602   0.709   1.476
+  356THR      O 5039  -0.626   0.823   1.433
+  357SER      N 5040  -0.582   0.687   1.607
+  357SER     HN 5041  -0.570   0.593   1.638
+  357SER     CA 5042  -0.569   0.793   1.708
+  357SER     HA 5043  -0.638   0.872   1.685
+  357SER     CB 5044  -0.593   0.744   1.853
+  357SER    HB1 5045  -0.582   0.829   1.924
+  357SER    HB2 5046  -0.519   0.665   1.880
+  357SER     OG 5047  -0.725   0.691   1.868
+  357SER    HG1 5048  -0.729   0.610   1.814
+  357SER      C 5049  -0.430   0.852   1.709
+  357SER      O 5050  -0.409   0.966   1.755
+  358GLY      N 5051  -0.330   0.776   1.661
+  358GLY     HN 5052  -0.350   0.684   1.628
+  358GLY     CA 5053  -0.194   0.822   1.638
+  358GLY    HA1 5054  -0.130   0.736   1.643
+  358GLY    HA2 5055  -0.169   0.899   1.710
+  358GLY      C 5056  -0.176   0.884   1.502
+  358GLY      O 5057  -0.272   0.931   1.439
+  359GLY      N 5058  -0.051   0.888   1.455
+  359GLY     HN 5059   0.025   0.854   1.509
+  359GLY     CA 5060  -0.018   0.928   1.319
+  359GLY    HA1 5061   0.078   0.978   1.322
+  359GLY    HA2 5062  -0.096   0.989   1.277
+  359GLY      C 5063  -0.000   0.806   1.234
+  359GLY      O 5064   0.037   0.700   1.279
+  360MET      N 5065  -0.029   0.824   1.104
+  360MET     HN 5066  -0.065   0.910   1.069
+  360MET     CA 5067  -0.005   0.723   1.004
+  360MET     HA 5068   0.078   0.661   1.035
+  360MET     CB 5069  -0.131   0.637   0.976
+  360MET    HB1 5070  -0.100   0.554   0.908
+  360MET    HB2 5071  -0.208   0.699   0.924
+  360MET     CG 5072  -0.198   0.575   1.101
+  360MET    HG1 5073  -0.233   0.658   1.166
+  360MET    HG2 5074  -0.121   0.520   1.158
+  360MET     SD 5075  -0.340   0.465   1.066
+  360MET     CE 5076  -0.248   0.319   1.010
+  360MET    HE1 5077  -0.182   0.279   1.090
+  360MET    HE2 5078  -0.184   0.342   0.923
+  360MET    HE3 5079  -0.317   0.237   0.980
+  360MET      C 5080   0.037   0.797   0.879
+  360MET      O 5081  -0.017   0.904   0.846
+  361VAL      N 5082   0.136   0.742   0.807
+  361VAL     HN 5083   0.174   0.654   0.836
+  361VAL     CA 5084   0.196   0.800   0.689
+  361VAL     HA 5085   0.188   0.908   0.694
+  361VAL     CB 5086   0.343   0.762   0.678
+  361VAL     HB 5087   0.354   0.651   0.686
+  361VAL    CG1 5088   0.406   0.808   0.544
+  361VAL   HG11 5089   0.388   0.916   0.527
+  361VAL   HG12 5090   0.364   0.750   0.459
+  361VAL   HG13 5091   0.516   0.789   0.546
+  361VAL    CG2 5092   0.418   0.827   0.797
+  361VAL   HG21 5093   0.382   0.788   0.894
+  361VAL   HG22 5094   0.403   0.937   0.798
+  361VAL   HG23 5095   0.527   0.806   0.791
+  361VAL      C 5096   0.119   0.753   0.567
+  361VAL      O 5097   0.093   0.634   0.550
+  362LEU      N 5098   0.076   0.847   0.480
+  362LEU     HN 5099   0.094   0.943   0.500
+  362LEU     CA 5100   0.013   0.816   0.353
+  362LEU     HA 5101  -0.067   0.746   0.372
+  362LEU     CB 5102  -0.045   0.944   0.287
+  362LEU    HB1 5103   0.038   1.017   0.275
+  362LEU    HB2 5104  -0.119   0.989   0.357
+  362LEU     CG 5105  -0.113   0.927   0.149
+  362LEU     HG 5106  -0.039   0.884   0.077
+  362LEU    CD1 5107  -0.233   0.832   0.154
+  362LEU   HD11 5108  -0.310   0.869   0.225
+  362LEU   HD12 5109  -0.203   0.730   0.185
+  362LEU   HD13 5110  -0.279   0.824   0.053
+  362LEU    CD2 5111  -0.158   1.062   0.093
+  362LEU   HD21 5112  -0.071   1.129   0.079
+  362LEU   HD22 5113  -0.231   1.110   0.162
+  362LEU   HD23 5114  -0.207   1.047  -0.006
+  362LEU      C 5115   0.108   0.749   0.255
+  362LEU      O 5116   0.218   0.798   0.229
+  363VAL      N 5117   0.063   0.637   0.196
+  363VAL     HN 5118  -0.026   0.598   0.220
+  363VAL     CA 5119   0.136   0.558   0.100
+  363VAL     HA 5120   0.229   0.608   0.076
+  363VAL     CB 5121   0.166   0.417   0.148
+  363VAL     HB 5122   0.074   0.354   0.145
+  363VAL    CG1 5123   0.274   0.353   0.058
+  363VAL   HG11 5124   0.361   0.421   0.046
+  363VAL   HG12 5125   0.233   0.328  -0.042
+  363VAL   HG13 5126   0.310   0.259   0.104
+  363VAL    CG2 5127   0.212   0.418   0.295
+  363VAL   HG21 5128   0.128   0.446   0.362
+  363VAL   HG22 5129   0.296   0.488   0.312
+  363VAL   HG23 5130   0.245   0.316   0.324
+  363VAL      C 5131   0.052   0.552  -0.025
+  363VAL      O 5132  -0.072   0.545  -0.020
+  364MET      N 5133   0.115   0.556  -0.143
+  364MET     HN 5134   0.215   0.564  -0.145
+  364MET     CA 5135   0.048   0.536  -0.270
+  364MET     HA 5136  -0.042   0.478  -0.255
+  364MET     CB 5137   0.015   0.669  -0.343
+  364MET    HB1 5138  -0.020   0.646  -0.447
+  364MET    HB2 5139   0.109   0.728  -0.351
+  364MET     CG 5140  -0.095   0.751  -0.274
+  364MET    HG1 5141  -0.073   0.758  -0.165
+  364MET    HG2 5142  -0.190   0.693  -0.283
+  364MET     SD 5143  -0.119   0.919  -0.338
+  364MET     CE 5144   0.027   0.991  -0.257
+  364MET    HE1 5145   0.120   0.942  -0.292
+  364MET    HE2 5146   0.022   0.977  -0.147
+  364MET    HE3 5147   0.036   1.099  -0.278
+  364MET      C 5148   0.141   0.451  -0.355
+  364MET      O 5149   0.261   0.475  -0.361
+  365SER      N 5150   0.087   0.346  -0.419
+  365SER     HN 5151  -0.011   0.324  -0.412
+  365SER     CA 5152   0.170   0.248  -0.486
+  365SER     HA 5153   0.260   0.296  -0.520
+  365SER     CB 5154   0.210   0.128  -0.394
+  365SER    HB1 5155   0.263   0.169  -0.305
+  365SER    HB2 5156   0.281   0.060  -0.446
+  365SER     OG 5157   0.097   0.053  -0.349
+  365SER    HG1 5158   0.131  -0.019  -0.292
+  365SER      C 5159   0.102   0.195  -0.609
+  365SER      O 5160  -0.016   0.221  -0.637
+  366LEU      N 5161   0.179   0.122  -0.690
+  366LEU     HN 5162   0.275   0.108  -0.668
+  366LEU     CA 5163   0.128   0.044  -0.800
+  366LEU     HA 5164   0.026   0.015  -0.781
+  366LEU     CB 5165   0.142   0.121  -0.934
+  366LEU    HB1 5166   0.248   0.153  -0.947
+  366LEU    HB2 5167   0.080   0.213  -0.926
+  366LEU     CG 5168   0.099   0.044  -1.061
+  366LEU     HG 5169   0.167  -0.044  -1.074
+  366LEU    CD1 5170  -0.045  -0.009  -1.053
+  366LEU   HD11 5171  -0.116   0.074  -1.036
+  366LEU   HD12 5172  -0.056  -0.082  -0.970
+  366LEU   HD13 5173  -0.072  -0.061  -1.147
+  366LEU    CD2 5174   0.114   0.133  -1.185
+  366LEU   HD21 5175   0.219   0.170  -1.194
+  366LEU   HD22 5176   0.047   0.221  -1.178
+  366LEU   HD23 5177   0.088   0.077  -1.277
+  366LEU      C 5178   0.215  -0.079  -0.801
+  366LEU      O 5179   0.336  -0.069  -0.791
+  367TRP      N 5180   0.153  -0.199  -0.809
+  367TRP     HN 5181   0.054  -0.208  -0.812
+  367TRP     CA 5182   0.227  -0.322  -0.796
+  367TRP     HA 5183   0.321  -0.313  -0.850
+  367TRP     CB 5184   0.257  -0.356  -0.646
+  367TRP    HB1 5185   0.318  -0.273  -0.604
+  367TRP    HB2 5186   0.321  -0.447  -0.641
+  367TRP     CG 5187   0.139  -0.376  -0.555
+  367TRP    CD1 5188   0.055  -0.279  -0.506
+  367TRP    HD1 5189   0.059  -0.174  -0.533
+  367TRP    NE1 5190  -0.033  -0.334  -0.415
+  367TRP    HE1 5191  -0.090  -0.288  -0.350
+  367TRP    CE2 5192  -0.008  -0.468  -0.404
+  367TRP    CD2 5193   0.100  -0.499  -0.489
+  367TRP    CE3 5194   0.150  -0.629  -0.491
+  367TRP    HE3 5195   0.235  -0.656  -0.551
+  367TRP    CZ3 5196   0.090  -0.725  -0.409
+  367TRP    HZ3 5197   0.128  -0.827  -0.407
+  367TRP    CZ2 5198  -0.068  -0.563  -0.322
+  367TRP    HZ2 5199  -0.147  -0.536  -0.254
+  367TRP    CH2 5200  -0.017  -0.692  -0.326
+  367TRP    HH2 5201  -0.059  -0.769  -0.261
+  367TRP      C 5202   0.151  -0.434  -0.862
+  367TRP      O 5203   0.030  -0.423  -0.889
+  368ASP      N 5204   0.220  -0.544  -0.891
+  368ASP     HN 5205   0.320  -0.551  -0.884
+  368ASP     CA 5206   0.164  -0.672  -0.927
+  368ASP     HA 5207   0.057  -0.668  -0.912
+  368ASP     CB 5208   0.190  -0.710  -1.075
+  368ASP    HB1 5209   0.148  -0.631  -1.140
+  368ASP    HB2 5210   0.138  -0.805  -1.099
+  368ASP     CG 5211   0.337  -0.726  -1.112
+  368ASP    OD1 5212   0.425  -0.680  -1.040
+  368ASP    OD2 5213   0.356  -0.783  -1.226
+  368ASP      C 5214   0.219  -0.772  -0.825
+  368ASP      O 5215   0.317  -0.751  -0.757
+  369ASP      N 5216   0.144  -0.885  -0.810
+  369ASP     HN 5217   0.068  -0.902  -0.871
+  369ASP     CA 5218   0.164  -0.977  -0.701
+  369ASP     HA 5219   0.225  -0.930  -0.624
+  369ASP     CB 5220   0.027  -1.011  -0.639
+  369ASP    HB1 5221  -0.038  -1.052  -0.719
+  369ASP    HB2 5222  -0.020  -0.918  -0.601
+  369ASP     CG 5223   0.023  -1.112  -0.526
+  369ASP    OD1 5224   0.133  -1.168  -0.488
+  369ASP    OD2 5225  -0.086  -1.148  -0.484
+  369ASP      C 5226   0.242  -1.099  -0.747
+  369ASP      O 5227   0.198  -1.177  -0.838
+  370TYR      N 5228   0.355  -1.126  -0.685
+  370TYR     HN 5229   0.378  -1.067  -0.606
+  370TYR     CA 5230   0.446  -1.235  -0.715
+  370TYR     HA 5231   0.429  -1.268  -0.817
+  370TYR     CB 5232   0.593  -1.188  -0.698
+  370TYR    HB1 5233   0.662  -1.272  -0.675
+  370TYR    HB2 5234   0.600  -1.116  -0.614
+  370TYR     CG 5235   0.645  -1.121  -0.823
+  370TYR    CD1 5236   0.619  -0.986  -0.852
+  370TYR    HD1 5237   0.553  -0.929  -0.788
+  370TYR    CE1 5238   0.675  -0.924  -0.965
+  370TYR    HE1 5239   0.652  -0.821  -0.987
+  370TYR     CZ 5240   0.760  -0.997  -1.049
+  370TYR     OH 5241   0.821  -0.934  -1.161
+  370TYR     HH 5242   0.760  -0.867  -1.197
+  370TYR    CD2 5243   0.728  -1.194  -0.911
+  370TYR    HD2 5244   0.748  -1.298  -0.892
+  370TYR    CE2 5245   0.785  -1.132  -1.023
+  370TYR    HE2 5246   0.848  -1.189  -1.090
+  370TYR      C 5247   0.422  -1.357  -0.629
+  370TYR      O 5248   0.497  -1.456  -0.637
+  371TYR      N 5249   0.318  -1.357  -0.544
+  371TYR     HN 5250   0.259  -1.274  -0.535
+  371TYR     CA 5251   0.293  -1.462  -0.447
+  371TYR     HA 5252   0.363  -1.543  -0.462
+  371TYR     CB 5253   0.308  -1.407  -0.303
+  371TYR    HB1 5254   0.271  -1.480  -0.227
+  371TYR    HB2 5255   0.251  -1.312  -0.291
+  371TYR     CG 5256   0.454  -1.381  -0.275
+  371TYR    CD1 5257   0.513  -1.260  -0.313
+  371TYR    HD1 5258   0.453  -1.186  -0.363
+  371TYR    CE1 5259   0.649  -1.236  -0.290
+  371TYR    HE1 5260   0.693  -1.142  -0.320
+  371TYR     CZ 5261   0.727  -1.334  -0.229
+  371TYR     OH 5262   0.864  -1.309  -0.208
+  371TYR     HH 5263   0.901  -1.383  -0.161
+  371TYR    CD2 5264   0.533  -1.479  -0.213
+  371TYR    HD2 5265   0.487  -1.572  -0.185
+  371TYR    CE2 5266   0.669  -1.456  -0.190
+  371TYR    HE2 5267   0.729  -1.531  -0.142
+  371TYR      C 5268   0.157  -1.525  -0.460
+  371TYR      O 5269   0.145  -1.648  -0.442
+  372ALA      N 5270   0.052  -1.448  -0.489
+  372ALA     HN 5271   0.062  -1.346  -0.488
+  372ALA     CA 5272  -0.081  -1.502  -0.507
+  372ALA     HA 5273  -0.077  -1.610  -0.515
+  372ALA     CB 5274  -0.168  -1.462  -0.386
+  372ALA    HB1 5275  -0.171  -1.352  -0.377
+  372ALA    HB2 5276  -0.122  -1.502  -0.294
+  372ALA    HB3 5277  -0.271  -1.502  -0.396
+  372ALA      C 5278  -0.146  -1.454  -0.635
+  372ALA      O 5279  -0.258  -1.498  -0.668
+  373ASN      N 5280  -0.082  -1.364  -0.711
+  373ASN     HN 5281   0.001  -1.322  -0.673
+  373ASN     CA 5282  -0.120  -1.321  -0.845
+  373ASN     HA 5283  -0.040  -1.257  -0.880
+  373ASN     CB 5284  -0.134  -1.439  -0.945
+  373ASN    HB1 5285  -0.159  -1.401  -1.046
+  373ASN    HB2 5286  -0.216  -1.507  -0.915
+  373ASN     CG 5287  -0.007  -1.523  -0.956
+  373ASN    OD1 5288  -0.012  -1.647  -0.973
+  373ASN    ND2 5289   0.112  -1.461  -0.942
+  373ASN   HD21 5290   0.115  -1.362  -0.923
+  373ASN   HD22 5291   0.195  -1.515  -0.944
+  373ASN      C 5292  -0.240  -1.227  -0.844
+  373ASN      O 5293  -0.303  -1.204  -0.948
+  374MET      N 5294  -0.273  -1.170  -0.727
+  374MET     HN 5295  -0.215  -1.188  -0.646
+  374MET     CA 5296  -0.376  -1.070  -0.704
+  374MET     HA 5297  -0.360  -1.033  -0.604
+  374MET     CB 5298  -0.366  -0.949  -0.802
+  374MET    HB1 5299  -0.433  -0.965  -0.889
+  374MET    HB2 5300  -0.262  -0.944  -0.841
+  374MET     CG 5301  -0.400  -0.814  -0.735
+  374MET    HG1 5302  -0.500  -0.824  -0.688
+  374MET    HG2 5303  -0.409  -0.737  -0.814
+  374MET     SD 5304  -0.279  -0.761  -0.610
+  374MET     CE 5305  -0.152  -0.706  -0.728
+  374MET    HE1 5306  -0.191  -0.628  -0.796
+  374MET    HE2 5307  -0.115  -0.790  -0.790
+  374MET    HE3 5308  -0.064  -0.662  -0.674
+  374MET      C 5309  -0.515  -1.132  -0.705
+  374MET      O 5310  -0.618  -1.066  -0.703
+  375LEU      N 5311  -0.521  -1.267  -0.697
+  375LEU     HN 5312  -0.436  -1.319  -0.695
+  375LEU     CA 5313  -0.644  -1.342  -0.714
+  375LEU     HA 5314  -0.697  -1.303  -0.800
+  375LEU     CB 5315  -0.611  -1.492  -0.734
+  375LEU    HB1 5316  -0.704  -1.553  -0.741
+  375LEU    HB2 5317  -0.553  -1.526  -0.645
+  375LEU     CG 5318  -0.524  -1.524  -0.858
+  375LEU     HG 5319  -0.432  -1.460  -0.854
+  375LEU    CD1 5320  -0.478  -1.671  -0.856
+  375LEU   HD11 5321  -0.566  -1.738  -0.864
+  375LEU   HD12 5322  -0.423  -1.693  -0.762
+  375LEU   HD13 5323  -0.411  -1.690  -0.942
+  375LEU    CD2 5324  -0.595  -1.493  -0.991
+  375LEU   HD21 5325  -0.622  -1.385  -0.996
+  375LEU   HD22 5326  -0.687  -1.554  -1.001
+  375LEU   HD23 5327  -0.527  -1.516  -1.076
+  375LEU      C 5328  -0.735  -1.327  -0.594
+  375LEU      O 5329  -0.857  -1.349  -0.600
+  376TRP      N 5330  -0.679  -1.283  -0.480
+  376TRP     HN 5331  -0.582  -1.259  -0.481
+  376TRP     CA 5332  -0.749  -1.254  -0.357
+  376TRP     HA 5333  -0.818  -1.334  -0.338
+  376TRP     CB 5334  -0.650  -1.245  -0.238
+  376TRP    HB1 5335  -0.607  -1.346  -0.223
+  376TRP    HB2 5336  -0.705  -1.219  -0.145
+  376TRP     CG 5337  -0.537  -1.148  -0.257
+  376TRP    CD1 5338  -0.413  -1.177  -0.308
+  376TRP    HD1 5339  -0.379  -1.277  -0.334
+  376TRP    NE1 5340  -0.340  -1.062  -0.323
+  376TRP    HE1 5341  -0.249  -1.055  -0.361
+  376TRP    CE2 5342  -0.416  -0.956  -0.280
+  376TRP    CD2 5343  -0.540  -1.006  -0.236
+  376TRP    CE3 5344  -0.637  -0.918  -0.186
+  376TRP    HE3 5345  -0.732  -0.953  -0.147
+  376TRP    CZ3 5346  -0.609  -0.781  -0.186
+  376TRP    HZ3 5347  -0.683  -0.711  -0.149
+  376TRP    CZ2 5348  -0.388  -0.820  -0.279
+  376TRP    HZ2 5349  -0.294  -0.781  -0.315
+  376TRP    CH2 5350  -0.488  -0.734  -0.235
+  376TRP    HH2 5351  -0.472  -0.627  -0.240
+  376TRP      C 5352  -0.832  -1.126  -0.369
+  376TRP      O 5353  -0.929  -1.110  -0.295
+  377LEU      N 5354  -0.799  -1.038  -0.466
+  377LEU     HN 5355  -0.722  -1.057  -0.527
+  377LEU     CA 5356  -0.867  -0.913  -0.489
+  377LEU     HA 5357  -0.915  -0.880  -0.398
+  377LEU     CB 5358  -0.766  -0.806  -0.537
+  377LEU    HB1 5359  -0.713  -0.843  -0.628
+  377LEU    HB2 5360  -0.689  -0.793  -0.458
+  377LEU     CG 5361  -0.824  -0.666  -0.572
+  377LEU     HG 5362  -0.895  -0.677  -0.657
+  377LEU    CD1 5363  -0.901  -0.604  -0.454
+  377LEU   HD11 5364  -0.834  -0.592  -0.366
+  377LEU   HD12 5365  -0.987  -0.667  -0.425
+  377LEU   HD13 5366  -0.939  -0.503  -0.482
+  377LEU    CD2 5367  -0.712  -0.571  -0.618
+  377LEU   HD21 5368  -0.658  -0.613  -0.706
+  377LEU   HD22 5369  -0.639  -0.554  -0.536
+  377LEU   HD23 5370  -0.755  -0.473  -0.647
+  377LEU      C 5371  -0.974  -0.931  -0.596
+  377LEU      O 5372  -1.088  -0.889  -0.579
+  378ASP      N 5373  -0.937  -0.992  -0.711
+  378ASP     HN 5374  -0.845  -1.029  -0.723
+  378ASP     CA 5375  -1.015  -0.979  -0.833
+  378ASP     HA 5376  -1.106  -0.925  -0.812
+  378ASP     CB 5377  -0.931  -0.895  -0.934
+  378ASP    HB1 5378  -0.900  -0.802  -0.882
+  378ASP    HB2 5379  -0.996  -0.866  -1.019
+  378ASP     CG 5380  -0.805  -0.958  -0.992
+  378ASP    OD1 5381  -0.788  -1.084  -0.977
+  378ASP    OD2 5382  -0.730  -0.885  -1.058
+  378ASP      C 5383  -1.061  -1.112  -0.890
+  378ASP      O 5384  -1.125  -1.116  -0.999
+  379SER      N 5385  -1.041  -1.225  -0.822
+  379SER     HN 5386  -0.995  -1.222  -0.733
+  379SER     CA 5387  -1.065  -1.355  -0.881
+  379SER     HA 5388  -1.140  -1.347  -0.959
+  379SER     CB 5389  -0.936  -1.416  -0.942
+  379SER    HB1 5390  -0.865  -1.444  -0.861
+  379SER    HB2 5391  -0.885  -1.338  -1.003
+  379SER     OG 5392  -0.963  -1.530  -1.025
+  379SER    HG1 5393  -1.006  -1.496  -1.106
+  379SER      C 5394  -1.125  -1.446  -0.774
+  379SER      O 5395  -1.164  -1.408  -0.668
+  380THR      N 5396  -1.137  -1.577  -0.811
+  380THR     HN 5397  -1.099  -1.602  -0.899
+  380THR     CA 5398  -1.172  -1.681  -0.715
+  380THR     HA 5399  -1.237  -1.639  -0.640
+  380THR     CB 5400  -1.242  -1.800  -0.779
+  380THR     HB 5401  -1.172  -1.856  -0.845
+  380THR    OG1 5402  -1.349  -1.755  -0.861
+  380THR    HG1 5403  -1.318  -1.672  -0.900
+  380THR    CG2 5404  -1.299  -1.894  -0.672
+  380THR   HG21 5405  -1.365  -1.839  -0.602
+  380THR   HG22 5406  -1.217  -1.940  -0.612
+  380THR   HG23 5407  -1.357  -1.976  -0.718
+  380THR      C 5408  -1.046  -1.728  -0.647
+  380THR      O 5409  -0.950  -1.772  -0.715
+  381TYR      N 5410  -1.039  -1.720  -0.515
+  381TYR     HN 5411  -1.119  -1.688  -0.462
+  381TYR     CA 5412  -0.921  -1.751  -0.439
+  381TYR     HA 5413  -0.859  -1.817  -0.497
+  381TYR     CB 5414  -0.839  -1.623  -0.409
+  381TYR    HB1 5415  -0.896  -1.554  -0.344
+  381TYR    HB2 5416  -0.820  -1.572  -0.505
+  381TYR     CG 5417  -0.705  -1.653  -0.346
+  381TYR    CD1 5418  -0.599  -1.696  -0.427
+  381TYR    HD1 5419  -0.614  -1.709  -0.533
+  381TYR    CE1 5420  -0.472  -1.720  -0.372
+  381TYR    HE1 5421  -0.390  -1.749  -0.437
+  381TYR     CZ 5422  -0.451  -1.704  -0.235
+  381TYR     OH 5423  -0.324  -1.731  -0.180
+  381TYR     HH 5424  -0.264  -1.745  -0.253
+  381TYR    CD2 5425  -0.683  -1.636  -0.208
+  381TYR    HD2 5426  -0.763  -1.602  -0.145
+  381TYR    CE2 5427  -0.557  -1.664  -0.153
+  381TYR    HE2 5428  -0.543  -1.653  -0.047
+  381TYR      C 5429  -0.965  -1.816  -0.307
+  381TYR      O 5430  -1.054  -1.768  -0.243
+  382PRO      N 5431  -0.900  -1.926  -0.265
+  382PRO     CD 5432  -0.922  -1.969  -0.126
+  382PRO    HD1 5433  -1.025  -2.009  -0.119
+  382PRO    HD2 5434  -0.908  -1.884  -0.055
+  382PRO     CA 5435  -0.825  -2.025  -0.340
+  382PRO     HA 5436  -0.730  -1.978  -0.364
+  382PRO     CB 5437  -0.808  -2.143  -0.243
+  382PRO    HB1 5438  -0.713  -2.197  -0.259
+  382PRO    HB2 5439  -0.892  -2.215  -0.255
+  382PRO     CG 5440  -0.818  -2.079  -0.105
+  382PRO    HG1 5441  -0.850  -2.150  -0.026
+  382PRO    HG2 5442  -0.722  -2.032  -0.076
+  382PRO      C 5443  -0.881  -2.068  -0.474
+  382PRO      O 5444  -1.003  -2.063  -0.495
+  383THR      N 5445  -0.796  -2.108  -0.568
+  383THR     HN 5446  -0.698  -2.120  -0.551
+  383THR     CA 5447  -0.832  -2.134  -0.707
+  383THR     HA 5448  -0.899  -2.055  -0.740
+  383THR     CB 5449  -0.710  -2.134  -0.797
+  383THR     HB 5450  -0.735  -2.167  -0.901
+  383THR    OG1 5451  -0.608  -2.217  -0.741
+  383THR    HG1 5452  -0.540  -2.231  -0.808
+  383THR    CG2 5453  -0.654  -1.992  -0.802
+  383THR   HG21 5454  -0.619  -1.959  -0.701
+  383THR   HG22 5455  -0.731  -1.920  -0.836
+  383THR   HG23 5456  -0.567  -1.985  -0.870
+  383THR      C 5457  -0.907  -2.264  -0.726
+  383THR      O 5458  -0.971  -2.286  -0.829
+  384ASN      N 5459  -0.904  -2.352  -0.624
+  384ASN     HN 5460  -0.849  -2.333  -0.543
+  384ASN     CA 5461  -0.975  -2.478  -0.624
+  384ASN     HA 5462  -0.993  -2.509  -0.726
+  384ASN     CB 5463  -0.892  -2.588  -0.552
+  384ASN    HB1 5464  -0.794  -2.597  -0.604
+  384ASN    HB2 5465  -0.944  -2.686  -0.561
+  384ASN     CG 5466  -0.865  -2.558  -0.405
+  384ASN    OD1 5467  -0.793  -2.458  -0.374
+  384ASN    ND2 5468  -0.916  -2.637  -0.313
+  384ASN   HD21 5469  -0.904  -2.613  -0.216
+  384ASN   HD22 5470  -0.975  -2.714  -0.339
+  384ASN      C 5471  -1.111  -2.463  -0.559
+  384ASN      O 5472  -1.189  -2.560  -0.558
+  385GLU      N 5473  -1.147  -2.344  -0.508
+  385GLU     HN 5474  -1.087  -2.264  -0.514
+  385GLU     CA 5475  -1.278  -2.318  -0.453
+  385GLU     HA 5476  -1.312  -2.409  -0.405
+  385GLU     CB 5477  -1.280  -2.207  -0.345
+  385GLU    HB1 5478  -1.384  -2.184  -0.315
+  385GLU    HB2 5479  -1.237  -2.114  -0.389
+  385GLU     CG 5480  -1.202  -2.244  -0.216
+  385GLU    HG1 5481  -1.195  -2.154  -0.152
+  385GLU    HG2 5482  -1.100  -2.277  -0.241
+  385GLU     CD 5483  -1.268  -2.352  -0.130
+  385GLU    OE1 5484  -1.383  -2.395  -0.166
+  385GLU    OE2 5485  -1.210  -2.387  -0.025
+  385GLU      C 5486  -1.380  -2.289  -0.559
+  385GLU      O 5487  -1.349  -2.254  -0.677
+  386THR      N 5488  -1.507  -2.302  -0.525
+  386THR     HN 5489  -1.526  -2.324  -0.429
+  386THR     CA 5490  -1.620  -2.286  -0.615
+  386THR     HA 5491  -1.584  -2.274  -0.716
+  386THR     CB 5492  -1.718  -2.403  -0.612
+  386THR     HB 5493  -1.794  -2.391  -0.692
+  386THR    OG1 5494  -1.787  -2.414  -0.487
+  386THR    HG1 5495  -1.718  -2.406  -0.419
+  386THR    CG2 5496  -1.642  -2.533  -0.640
+  386THR   HG21 5497  -1.569  -2.556  -0.560
+  386THR   HG22 5498  -1.586  -2.524  -0.736
+  386THR   HG23 5499  -1.712  -2.619  -0.649
+  386THR      C 5500  -1.692  -2.157  -0.576
+  386THR      O 5501  -1.666  -2.094  -0.480
+  387SER      N 5502  -1.796  -2.121  -0.659
+  387SER     HN 5503  -1.816  -2.168  -0.742
+  387SER     CA 5504  -1.879  -2.007  -0.627
+  387SER     HA 5505  -1.817  -1.927  -0.588
+  387SER     CB 5506  -1.952  -1.957  -0.754
+  387SER    HB1 5507  -1.873  -1.925  -0.827
+  387SER    HB2 5508  -2.014  -1.867  -0.732
+  387SER     OG 5509  -2.031  -2.060  -0.816
+  387SER    HG1 5510  -2.089  -2.099  -0.750
+  387SER      C 5511  -1.985  -2.035  -0.522
+  387SER      O 5512  -2.057  -1.948  -0.479
+  388SER      N 5513  -1.998  -2.165  -0.481
+  388SER     HN 5514  -1.939  -2.236  -0.517
+  388SER     CA 5515  -2.087  -2.201  -0.371
+  388SER     HA 5516  -2.172  -2.135  -0.373
+  388SER     CB 5517  -2.144  -2.346  -0.384
+  388SER    HB1 5518  -2.191  -2.357  -0.484
+  388SER    HB2 5519  -2.224  -2.358  -0.307
+  388SER     OG 5520  -2.048  -2.450  -0.364
+  388SER    HG1 5521  -1.974  -2.439  -0.426
+  388SER      C 5522  -2.021  -2.183  -0.235
+  388SER      O 5523  -2.086  -2.177  -0.134
+  389THR      N 5524  -1.886  -2.171  -0.236
+  389THR     HN 5525  -1.834  -2.173  -0.320
+  389THR     CA 5526  -1.806  -2.150  -0.116
+  389THR     HA 5527  -1.845  -2.216  -0.040
+  389THR     CB 5528  -1.659  -2.187  -0.136
+  389THR     HB 5529  -1.612  -2.119  -0.209
+  389THR    OG1 5530  -1.643  -2.320  -0.187
+  389THR    HG1 5531  -1.549  -2.344  -0.172
+  389THR    CG2 5532  -1.584  -2.181  -0.002
+  389THR   HG21 5533  -1.633  -2.245   0.075
+  389THR   HG22 5534  -1.580  -2.077   0.037
+  389THR   HG23 5535  -1.479  -2.216  -0.013
+  389THR      C 5536  -1.815  -2.003  -0.071
+  389THR      O 5537  -1.782  -1.916  -0.153
+  390PRO      N 5538  -1.859  -1.967   0.050
+  390PRO     CD 5539  -1.912  -2.059   0.151
+  390PRO    HD1 5540  -1.826  -2.103   0.206
+  390PRO    HD2 5541  -1.975  -2.138   0.106
+  390PRO     CA 5542  -1.873  -1.827   0.093
+  390PRO     HA 5543  -1.947  -1.782   0.030
+  390PRO     CB 5544  -1.920  -1.837   0.239
+  390PRO    HB1 5545  -1.982  -1.750   0.269
+  390PRO    HB2 5546  -1.833  -1.844   0.308
+  390PRO     CG 5547  -1.996  -1.970   0.243
+  390PRO    HG1 5548  -2.004  -2.011   0.346
+  390PRO    HG2 5549  -2.097  -1.958   0.199
+  390PRO      C 5550  -1.748  -1.742   0.081
+  390PRO      O 5551  -1.645  -1.774   0.140
+  391GLY      N 5552  -1.753  -1.631   0.004
+  391GLY     HN 5553  -1.837  -1.609  -0.045
+  391GLY     CA 5554  -1.645  -1.533  -0.003
+  391GLY    HA1 5555  -1.612  -1.511   0.097
+  391GLY    HA2 5556  -1.683  -1.446  -0.053
+  391GLY      C 5557  -1.523  -1.579  -0.080
+  391GLY      O 5558  -1.420  -1.512  -0.080
+  392ALA      N 5559  -1.533  -1.695  -0.149
+  392ALA     HN 5560  -1.614  -1.752  -0.139
+  392ALA     CA 5561  -1.428  -1.747  -0.236
+  392ALA     HA 5562  -1.336  -1.748  -0.180
+  392ALA     CB 5563  -1.460  -1.891  -0.280
+  392ALA    HB1 5564  -1.556  -1.896  -0.336
+  392ALA    HB2 5565  -1.468  -1.957  -0.191
+  392ALA    HB3 5566  -1.380  -1.930  -0.345
+  392ALA      C 5567  -1.406  -1.662  -0.358
+  392ALA      O 5568  -1.292  -1.641  -0.403
+  393VAL      N 5569  -1.514  -1.609  -0.416
+  393VAL     HN 5570  -1.604  -1.625  -0.374
+  393VAL     CA 5571  -1.511  -1.528  -0.536
+  393VAL     HA 5572  -1.423  -1.552  -0.593
+  393VAL     CB 5573  -1.634  -1.551  -0.623
+  393VAL     HB 5574  -1.726  -1.518  -0.571
+  393VAL    CG1 5575  -1.618  -1.474  -0.756
+  393VAL   HG11 5576  -1.526  -1.507  -0.809
+  393VAL   HG12 5577  -1.611  -1.364  -0.739
+  393VAL   HG13 5578  -1.705  -1.493  -0.822
+  393VAL    CG2 5579  -1.651  -1.702  -0.651
+  393VAL   HG21 5580  -1.671  -1.758  -0.558
+  393VAL   HG22 5581  -1.558  -1.743  -0.698
+  393VAL   HG23 5582  -1.735  -1.719  -0.721
+  393VAL      C 5583  -1.506  -1.382  -0.494
+  393VAL      O 5584  -1.591  -1.334  -0.425
+  394ARG      N 5585  -1.399  -1.310  -0.540
+  394ARG     HN 5586  -1.326  -1.351  -0.592
+  394ARG     CA 5587  -1.381  -1.170  -0.505
+  394ARG     HA 5588  -1.461  -1.135  -0.441
+  394ARG     CB 5589  -1.245  -1.150  -0.433
+  394ARG    HB1 5590  -1.239  -1.043  -0.400
+  394ARG    HB2 5591  -1.161  -1.166  -0.504
+  394ARG     CG 5592  -1.223  -1.239  -0.309
+  394ARG    HG1 5593  -1.321  -1.270  -0.267
+  394ARG    HG2 5594  -1.173  -1.177  -0.231
+  394ARG     CD 5595  -1.135  -1.362  -0.336
+  394ARG    HD1 5596  -1.033  -1.333  -0.370
+  394ARG    HD2 5597  -1.181  -1.423  -0.418
+  394ARG     NE 5598  -1.129  -1.449  -0.216
+  394ARG     HE 5599  -1.177  -1.534  -0.214
+  394ARG     CZ 5600  -1.047  -1.425  -0.106
+  394ARG    NH1 5601  -0.975  -1.322  -0.094
+  394ARG   HH11 5602  -0.984  -1.242  -0.155
+  394ARG   HH12 5603  -0.932  -1.301  -0.003
+  394ARG    NH2 5604  -1.044  -1.520  -0.015
+  394ARG   HH21 5605  -1.088  -1.606  -0.029
+  394ARG   HH22 5606  -0.977  -1.507   0.061
+  394ARG      C 5607  -1.385  -1.081  -0.630
+  394ARG      O 5608  -1.378  -0.961  -0.625
+  395GLY      N 5609  -1.401  -1.144  -0.749
+  395GLY     HN 5610  -1.407  -1.242  -0.756
+  395GLY     CA 5611  -1.411  -1.067  -0.872
+  395GLY    HA1 5612  -1.318  -1.016  -0.889
+  395GLY    HA2 5613  -1.495  -0.999  -0.865
+  395GLY      C 5614  -1.437  -1.156  -0.989
+  395GLY      O 5615  -1.471  -1.276  -0.973
+  396SER      N 5616  -1.426  -1.103  -1.110
+  396SER     HN 5617  -1.397  -1.007  -1.120
+  396SER     CA 5618  -1.461  -1.173  -1.233
+  396SER     HA 5619  -1.515  -1.264  -1.208
+  396SER     CB 5620  -1.553  -1.087  -1.324
+  396SER    HB1 5621  -1.643  -1.060  -1.263
+  396SER    HB2 5622  -1.587  -1.145  -1.412
+  396SER     OG 5623  -1.492  -0.965  -1.367
+  396SER    HG1 5624  -1.412  -0.989  -1.416
+  396SER      C 5625  -1.340  -1.215  -1.312
+  396SER      O 5626  -1.356  -1.277  -1.420
+  397CYS      N 5627  -1.218  -1.186  -1.268
+  397CYS     HN 5628  -1.204  -1.140  -1.179
+  397CYS     CA 5629  -1.096  -1.230  -1.333
+  397CYS     HA 5630  -1.105  -1.201  -1.437
+  397CYS     CB 5631  -0.968  -1.163  -1.277
+  397CYS    HB1 5632  -0.878  -1.201  -1.329
+  397CYS    HB2 5633  -0.956  -1.189  -1.169
+  397CYS     SG 5634  -0.972  -0.982  -1.294
+  397CYS      C 5635  -1.076  -1.380  -1.331
+  397CYS      O 5636  -1.115  -1.451  -1.238
+  398SER      N 5637  -1.012  -1.433  -1.436
+  398SER     HN 5638  -0.979  -1.372  -1.507
+  398SER     CA 5639  -0.975  -1.574  -1.445
+  398SER     HA 5640  -1.064  -1.633  -1.433
+  398SER     CB 5641  -0.908  -1.608  -1.582
+  398SER    HB1 5642  -0.811  -1.554  -1.589
+  398SER    HB2 5643  -0.976  -1.567  -1.661
+  398SER     OG 5644  -0.890  -1.749  -1.602
+  398SER    HG1 5645  -0.810  -1.765  -1.655
+  398SER      C 5646  -0.875  -1.613  -1.337
+  398SER      O 5647  -0.788  -1.538  -1.301
+  399THR      N 5648  -0.883  -1.740  -1.291
+  399THR     HN 5649  -0.955  -1.802  -1.321
+  399THR     CA 5650  -0.791  -1.796  -1.192
+  399THR     HA 5651  -0.783  -1.725  -1.110
+  399THR     CB 5652  -0.839  -1.929  -1.137
+  399THR     HB 5653  -0.760  -1.979  -1.075
+  399THR    OG1 5654  -0.882  -2.017  -1.241
+  399THR    HG1 5655  -0.910  -2.097  -1.194
+  399THR    CG2 5656  -0.959  -1.903  -1.045
+  399THR   HG21 5657  -1.042  -1.855  -1.101
+  399THR   HG22 5658  -0.929  -1.833  -0.964
+  399THR   HG23 5659  -0.996  -1.996  -0.998
+  399THR      C 5660  -0.650  -1.817  -1.244
+  399THR      O 5661  -0.558  -1.849  -1.172
+  400SER      N 5662  -0.635  -1.801  -1.378
+  400SER     HN 5663  -0.715  -1.780  -1.431
+  400SER     CA 5664  -0.508  -1.812  -1.448
+  400SER     HA 5665  -0.437  -1.866  -1.387
+  400SER     CB 5666  -0.531  -1.886  -1.583
+  400SER    HB1 5667  -0.585  -1.981  -1.562
+  400SER    HB2 5668  -0.432  -1.912  -1.627
+  400SER     OG 5669  -0.607  -1.808  -1.678
+  400SER    HG1 5670  -0.541  -1.745  -1.711
+  400SER      C 5671  -0.450  -1.676  -1.479
+  400SER      O 5672  -0.355  -1.665  -1.557
+  401SER      N 5673  -0.509  -1.567  -1.428
+  401SER     HN 5674  -0.582  -1.576  -1.360
+  401SER     CA 5675  -0.464  -1.431  -1.456
+  401SER     HA 5676  -0.414  -1.431  -1.552
+  401SER     CB 5677  -0.580  -1.328  -1.467
+  401SER    HB1 5678  -0.655  -1.365  -1.539
+  401SER    HB2 5679  -0.541  -1.231  -1.504
+  401SER     OG 5680  -0.646  -1.302  -1.343
+  401SER    HG1 5681  -0.679  -1.385  -1.303
+  401SER      C 5682  -0.361  -1.384  -1.355
+  401SER      O 5683  -0.338  -1.446  -1.253
+  402GLY      N 5684  -0.294  -1.271  -1.388
+  402GLY     HN 5685  -0.308  -1.226  -1.475
+  402GLY     CA 5686  -0.213  -1.198  -1.291
+  402GLY    HA1 5687  -0.264  -1.196  -1.195
+  402GLY    HA2 5688  -0.197  -1.100  -1.331
+  402GLY      C 5689  -0.076  -1.254  -1.267
+  402GLY      O 5690  -0.012  -1.225  -1.168
+  403VAL      N 5691  -0.027  -1.337  -1.361
+  403VAL     HN 5692  -0.085  -1.365  -1.436
+  403VAL     CA 5693   0.110  -1.385  -1.361
+  403VAL     HA 5694   0.131  -1.424  -1.263
+  403VAL     CB 5695   0.129  -1.500  -1.460
+  403VAL     HB 5696   0.096  -1.467  -1.562
+  403VAL    CG1 5697   0.278  -1.542  -1.469
+  403VAL   HG11 5698   0.316  -1.569  -1.368
+  403VAL   HG12 5699   0.341  -1.462  -1.512
+  403VAL   HG13 5700   0.287  -1.631  -1.535
+  403VAL    CG2 5701   0.041  -1.619  -1.417
+  403VAL   HG21 5702  -0.067  -1.592  -1.417
+  403VAL   HG22 5703   0.068  -1.651  -1.314
+  403VAL   HG23 5704   0.056  -1.704  -1.486
+  403VAL      C 5705   0.205  -1.270  -1.395
+  403VAL      O 5706   0.192  -1.220  -1.509
+  404PRO      N 5707   0.296  -1.223  -1.309
+  404PRO     CD 5708   0.319  -1.280  -1.175
+  404PRO    HD1 5709   0.373  -1.376  -1.183
+  404PRO    HD2 5710   0.223  -1.294  -1.120
+  404PRO     CA 5711   0.377  -1.103  -1.328
+  404PRO     HA 5712   0.311  -1.018  -1.314
+  404PRO     CB 5713   0.480  -1.108  -1.216
+  404PRO    HB1 5714   0.513  -1.005  -1.188
+  404PRO    HB2 5715   0.569  -1.169  -1.242
+  404PRO     CG 5716   0.403  -1.176  -1.102
+  404PRO    HG1 5717   0.470  -1.220  -1.026
+  404PRO    HG2 5718   0.337  -1.100  -1.054
+  404PRO      C 5719   0.438  -1.083  -1.465
+  404PRO      O 5720   0.410  -0.985  -1.533
+  405ALA      N 5721   0.514  -1.183  -1.513
+  405ALA     HN 5722   0.533  -1.261  -1.453
+  405ALA     CA 5723   0.583  -1.176  -1.640
+  405ALA     HA 5724   0.649  -1.090  -1.634
+  405ALA     CB 5725   0.663  -1.306  -1.664
+  405ALA    HB1 5726   0.596  -1.394  -1.664
+  405ALA    HB2 5727   0.738  -1.319  -1.582
+  405ALA    HB3 5728   0.716  -1.302  -1.760
+  405ALA      C 5729   0.489  -1.154  -1.757
+  405ALA      O 5730   0.520  -1.079  -1.852
+  406GLN      N 5731   0.373  -1.222  -1.756
+  406GLN     HN 5732   0.350  -1.276  -1.675
+  406GLN     CA 5733   0.269  -1.206  -1.854
+  406GLN     HA 5734   0.315  -1.214  -1.951
+  406GLN     CB 5735   0.163  -1.318  -1.842
+  406GLN    HB1 5736   0.115  -1.314  -1.742
+  406GLN    HB2 5737   0.218  -1.415  -1.848
+  406GLN     CG 5738   0.054  -1.312  -1.952
+  406GLN    HG1 5739   0.104  -1.303  -2.051
+  406GLN    HG2 5740  -0.012  -1.224  -1.936
+  406GLN     CD 5741  -0.033  -1.438  -1.951
+  406GLN    OE1 5742  -0.049  -1.509  -1.853
+  406GLN    NE2 5743  -0.095  -1.469  -2.069
+  406GLN   HE21 5744  -0.075  -1.412  -2.151
+  406GLN   HE22 5745  -0.143  -1.554  -2.072
+  406GLN      C 5746   0.201  -1.069  -1.851
+  406GLN      O 5747   0.184  -1.007  -1.957
+  407VAL      N 5748   0.163  -1.017  -1.733
+  407VAL     HN 5749   0.184  -1.064  -1.646
+  407VAL     CA 5750   0.095  -0.888  -1.721
+  407VAL     HA 5751   0.021  -0.886  -1.799
+  407VAL     CB 5752   0.018  -0.867  -1.591
+  407VAL     HB 5753  -0.031  -0.766  -1.594
+  407VAL    CG1 5754  -0.092  -0.974  -1.580
+  407VAL   HG11 5755  -0.047  -1.074  -1.563
+  407VAL   HG12 5756  -0.154  -0.978  -1.671
+  407VAL   HG13 5757  -0.157  -0.951  -1.493
+  407VAL    CG2 5758   0.109  -0.868  -1.467
+  407VAL   HG21 5759   0.190  -0.793  -1.472
+  407VAL   HG22 5760   0.155  -0.968  -1.453
+  407VAL   HG23 5761   0.050  -0.846  -1.375
+  407VAL      C 5762   0.186  -0.771  -1.754
+  407VAL      O 5763   0.146  -0.677  -1.823
+  408GLU      N 5764   0.314  -0.776  -1.713
+  408GLU     HN 5765   0.345  -0.850  -1.651
+  408GLU     CA 5766   0.415  -0.679  -1.750
+  408GLU     HA 5767   0.383  -0.581  -1.716
+  408GLU     CB 5768   0.548  -0.716  -1.683
+  408GLU    HB1 5769   0.633  -0.660  -1.728
+  408GLU    HB2 5770   0.563  -0.825  -1.704
+  408GLU     CG 5771   0.556  -0.693  -1.530
+  408GLU    HG1 5772   0.462  -0.724  -1.479
+  408GLU    HG2 5773   0.572  -0.586  -1.507
+  408GLU     CD 5774   0.671  -0.775  -1.469
+  408GLU    OE1 5775   0.738  -0.844  -1.552
+  408GLU    OE2 5776   0.704  -0.766  -1.350
+  408GLU      C 5777   0.438  -0.671  -1.900
+  408GLU      O 5778   0.454  -0.564  -1.960
+  409SER      N 5779   0.443  -0.788  -1.967
+  409SER     HN 5780   0.432  -0.873  -1.914
+  409SER     CA 5781   0.460  -0.798  -2.110
+  409SER     HA 5782   0.540  -0.731  -2.138
+  409SER     CB 5783   0.499  -0.942  -2.151
+  409SER    HB1 5784   0.414  -1.012  -2.129
+  409SER    HB2 5785   0.584  -0.974  -2.086
+  409SER     OG 5786   0.539  -0.952  -2.287
+  409SER    HG1 5787   0.460  -0.938  -2.342
+  409SER      C 5788   0.340  -0.754  -2.192
+  409SER      O 5789   0.353  -0.696  -2.299
+  410GLN      N 5790   0.218  -0.785  -2.143
+  410GLN     HN 5791   0.208  -0.832  -2.056
+  410GLN     CA 5792   0.096  -0.760  -2.219
+  410GLN     HA 5793   0.118  -0.763  -2.325
+  410GLN     CB 5794  -0.008  -0.870  -2.188
+  410GLN    HB1 5795  -0.108  -0.839  -2.227
+  410GLN    HB2 5796  -0.016  -0.879  -2.077
+  410GLN     CG 5797   0.027  -1.008  -2.251
+  410GLN    HG1 5798   0.124  -1.043  -2.211
+  410GLN    HG2 5799   0.035  -0.996  -2.361
+  410GLN     CD 5800  -0.077  -1.115  -2.223
+  410GLN    OE1 5801  -0.078  -1.225  -2.284
+  410GLN    NE2 5802  -0.173  -1.092  -2.132
+  410GLN   HE21 5803  -0.230  -1.163  -2.099
+  410GLN   HE22 5804  -0.173  -0.998  -2.088
+  410GLN      C 5805   0.033  -0.625  -2.193
+  410GLN      O 5806  -0.043  -0.574  -2.276
+  411SER      N 5807   0.066  -0.561  -2.080
+  411SER     HN 5808   0.125  -0.605  -2.010
+  411SER     CA 5809   0.011  -0.432  -2.044
+  411SER     HA 5810  -0.018  -0.380  -2.134
+  411SER     CB 5811  -0.116  -0.445  -1.955
+  411SER    HB1 5812  -0.153  -0.346  -1.923
+  411SER    HB2 5813  -0.090  -0.503  -1.863
+  411SER     OG 5814  -0.221  -0.513  -2.025
+  411SER    HG1 5815  -0.252  -0.456  -2.096
+  411SER      C 5816   0.114  -0.342  -1.977
+  411SER      O 5817   0.089  -0.296  -1.866
+  412PRO      N 5818   0.227  -0.307  -2.039
+  412PRO     CD 5819   0.263  -0.342  -2.177
+  412PRO    HD1 5820   0.179  -0.321  -2.247
+  412PRO    HD2 5821   0.292  -0.449  -2.181
+  412PRO     CA 5822   0.331  -0.227  -1.974
+  412PRO     HA 5823   0.352  -0.266  -1.875
+  412PRO     CB 5824   0.450  -0.237  -2.071
+  412PRO    HB1 5825   0.508  -0.329  -2.045
+  412PRO    HB2 5826   0.519  -0.150  -2.066
+  412PRO     CG 5827   0.386  -0.256  -2.209
+  412PRO    HG1 5828   0.353  -0.157  -2.249
+  412PRO    HG2 5829   0.452  -0.306  -2.283
+  412PRO      C 5830   0.289  -0.082  -1.958
+  412PRO      O 5831   0.346  -0.012  -1.875
+  413ASN      N 5832   0.193  -0.036  -2.039
+  413ASN     HN 5833   0.151  -0.099  -2.104
+  413ASN     CA 5834   0.148   0.102  -2.043
+  413ASN     HA 5835   0.227   0.166  -2.004
+  413ASN     CB 5836   0.112   0.144  -2.188
+  413ASN    HB1 5837   0.083   0.251  -2.192
+  413ASN    HB2 5838   0.027   0.083  -2.227
+  413ASN     CG 5839   0.230   0.122  -2.283
+  413ASN    OD1 5840   0.224   0.042  -2.376
+  413ASN    ND2 5841   0.343   0.192  -2.258
+  413ASN   HD21 5842   0.422   0.176  -2.316
+  413ASN   HD22 5843   0.354   0.244  -2.172
+  413ASN      C 5844   0.028   0.122  -1.952
+  413ASN      O 5845  -0.038   0.225  -1.956
+  414ALA      N 5846  -0.002   0.021  -1.867
+  414ALA     HN 5847   0.054  -0.062  -1.867
+  414ALA     CA 5848  -0.092   0.031  -1.755
+  414ALA     HA 5849  -0.188   0.062  -1.793
+  414ALA     CB 5850  -0.104  -0.105  -1.685
+  414ALA    HB1 5851  -0.005  -0.142  -1.651
+  414ALA    HB2 5852  -0.147  -0.181  -1.755
+  414ALA    HB3 5853  -0.171  -0.099  -1.597
+  414ALA      C 5854  -0.045   0.136  -1.654
+  414ALA      O 5855   0.073   0.159  -1.635
+  415LYS      N 5856  -0.140   0.203  -1.587
+  415LYS     HN 5857  -0.237   0.182  -1.596
+  415LYS     CA 5858  -0.102   0.305  -1.492
+  415LYS     HA 5859  -0.021   0.267  -1.431
+  415LYS     CB 5860  -0.060   0.439  -1.558
+  415LYS    HB1 5861   0.026   0.419  -1.626
+  415LYS    HB2 5862  -0.022   0.507  -1.479
+  415LYS     CG 5863  -0.169   0.513  -1.637
+  415LYS    HG1 5864  -0.260   0.525  -1.575
+  415LYS    HG2 5865  -0.196   0.453  -1.727
+  415LYS     CD 5866  -0.119   0.652  -1.679
+  415LYS    HD1 5867  -0.032   0.639  -1.747
+  415LYS    HD2 5868  -0.080   0.703  -1.587
+  415LYS     CE 5869  -0.227   0.738  -1.744
+  415LYS    HE1 5870  -0.316   0.744  -1.678
+  415LYS    HE2 5871  -0.258   0.693  -1.842
+  415LYS     NZ 5872  -0.177   0.874  -1.768
+  415LYS    HZ1 5873  -0.090   0.871  -1.825
+  415LYS    HZ2 5874  -0.152   0.918  -1.676
+  415LYS    HZ3 5875  -0.249   0.932  -1.815
+  415LYS      C 5876  -0.217   0.330  -1.398
+  415LYS      O 5877  -0.333   0.299  -1.426
+  416VAL      N 5878  -0.186   0.393  -1.284
+  416VAL     HN 5879  -0.090   0.417  -1.265
+  416VAL     CA 5880  -0.284   0.442  -1.190
+  416VAL     HA 5881  -0.384   0.429  -1.231
+  416VAL     CB 5882  -0.278   0.371  -1.055
+  416VAL     HB 5883  -0.283   0.261  -1.076
+  416VAL    CG1 5884  -0.146   0.398  -0.981
+  416VAL   HG11 5885  -0.138   0.504  -0.950
+  416VAL   HG12 5886  -0.059   0.372  -1.045
+  416VAL   HG13 5887  -0.141   0.335  -0.889
+  416VAL    CG2 5888  -0.401   0.408  -0.969
+  416VAL   HG21 5889  -0.496   0.389  -1.023
+  416VAL   HG22 5890  -0.398   0.515  -0.938
+  416VAL   HG23 5891  -0.402   0.347  -0.876
+  416VAL      C 5892  -0.260   0.591  -1.179
+  416VAL      O 5893  -0.148   0.640  -1.191
+  417THR      N 5894  -0.368   0.669  -1.163
+  417THR     HN 5895  -0.459   0.629  -1.155
+  417THR     CA 5896  -0.354   0.812  -1.137
+  417THR     HA 5897  -0.252   0.835  -1.110
+  417THR     CB 5898  -0.393   0.901  -1.255
+  417THR     HB 5899  -0.500   0.883  -1.282
+  417THR    OG1 5900  -0.312   0.871  -1.368
+  417THR    HG1 5901  -0.315   0.775  -1.373
+  417THR    CG2 5902  -0.372   1.049  -1.223
+  417THR   HG21 5903  -0.267   1.068  -1.190
+  417THR   HG22 5904  -0.440   1.084  -1.143
+  417THR   HG23 5905  -0.390   1.111  -1.313
+  417THR      C 5906  -0.439   0.845  -1.018
+  417THR      O 5907  -0.559   0.820  -1.018
+  418PHE      N 5908  -0.377   0.903  -0.915
+  418PHE     HN 5909  -0.280   0.926  -0.921
+  418PHE     CA 5910  -0.444   0.952  -0.796
+  418PHE     HA 5911  -0.547   0.917  -0.794
+  418PHE     CB 5912  -0.372   0.912  -0.664
+  418PHE    HB1 5913  -0.426   0.951  -0.576
+  418PHE    HB2 5914  -0.269   0.954  -0.663
+  418PHE     CG 5915  -0.362   0.763  -0.651
+  418PHE    CD1 5916  -0.474   0.688  -0.611
+  418PHE    HD1 5917  -0.568   0.738  -0.594
+  418PHE    CE1 5918  -0.466   0.550  -0.594
+  418PHE    HE1 5919  -0.553   0.493  -0.563
+  418PHE     CZ 5920  -0.344   0.484  -0.615
+  418PHE     HZ 5921  -0.336   0.378  -0.600
+  418PHE    CD2 5922  -0.240   0.696  -0.670
+  418PHE    HD2 5923  -0.152   0.752  -0.698
+  418PHE    CE2 5924  -0.231   0.557  -0.653
+  418PHE    HE2 5925  -0.137   0.506  -0.667
+  418PHE      C 5926  -0.445   1.102  -0.807
+  418PHE      O 5927  -0.353   1.163  -0.865
+  419SER      N 5928  -0.548   1.169  -0.757
+  419SER     HN 5929  -0.626   1.122  -0.712
+  419SER     CA 5930  -0.551   1.314  -0.761
+  419SER     HA 5931  -0.453   1.348  -0.729
+  419SER     CB 5932  -0.583   1.373  -0.902
+  419SER    HB1 5933  -0.500   1.345  -0.970
+  419SER    HB2 5934  -0.587   1.484  -0.899
+  419SER     OG 5935  -0.704   1.321  -0.957
+  419SER    HG1 5936  -0.696   1.225  -0.950
+  419SER      C 5937  -0.648   1.365  -0.659
+  419SER      O 5938  -0.725   1.291  -0.601
+  420ASN      N 5939  -0.643   1.497  -0.630
+  420ASN     HN 5940  -0.570   1.551  -0.672
+  420ASN     CA 5941  -0.746   1.567  -0.553
+  420ASN     HA 5942  -0.712   1.669  -0.546
+  420ASN     CB 5943  -0.882   1.563  -0.629
+  420ASN    HB1 5944  -0.928   1.463  -0.617
+  420ASN    HB2 5945  -0.863   1.578  -0.737
+  420ASN     CG 5946  -0.982   1.670  -0.585
+  420ASN    OD1 5947  -0.951   1.773  -0.525
+  420ASN    ND2 5948  -1.111   1.646  -0.619
+  420ASN   HD21 5949  -1.133   1.559  -0.665
+  420ASN   HD22 5950  -1.184   1.696  -0.571
+  420ASN      C 5951  -0.759   1.517  -0.410
+  420ASN      O 5952  -0.868   1.496  -0.359
+  421ILE      N 5953  -0.645   1.498  -0.341
+  421ILE     HN 5954  -0.556   1.510  -0.384
+  421ILE     CA 5955  -0.644   1.460  -0.201
+  421ILE     HA 5956  -0.711   1.375  -0.190
+  421ILE     CB 5957  -0.506   1.412  -0.154
+  421ILE     HB 5958  -0.431   1.490  -0.179
+  421ILE    CG2 5959  -0.506   1.391  -0.000
+  421ILE   HG21 5960  -0.590   1.325   0.029
+  421ILE   HG22 5961  -0.516   1.487   0.055
+  421ILE   HG23 5962  -0.411   1.344   0.033
+  421ILE    CG1 5963  -0.468   1.281  -0.229
+  421ILE   HG11 5964  -0.492   1.291  -0.337
+  421ILE   HG12 5965  -0.532   1.199  -0.189
+  421ILE     CD 5966  -0.320   1.244  -0.215
+  421ILE    HD1 5967  -0.291   1.234  -0.109
+  421ILE    HD2 5968  -0.255   1.321  -0.262
+  421ILE    HD3 5969  -0.301   1.146  -0.265
+  421ILE      C 5970  -0.699   1.570  -0.112
+  421ILE      O 5971  -0.655   1.686  -0.118
+  422LYS      N 5972  -0.797   1.537  -0.028
+  422LYS     HN 5973  -0.832   1.442  -0.026
+  422LYS     CA 5974  -0.858   1.631   0.062
+  422LYS     HA 5975  -0.789   1.711   0.082
+  422LYS     CB 5976  -0.994   1.686   0.012
+  422LYS    HB1 5977  -1.023   1.770   0.079
+  422LYS    HB2 5978  -1.072   1.607   0.020
+  422LYS     CG 5979  -0.995   1.732  -0.135
+  422LYS    HG1 5980  -0.981   1.643  -0.199
+  422LYS    HG2 5981  -0.908   1.799  -0.155
+  422LYS     CD 5982  -1.125   1.802  -0.179
+  422LYS    HD1 5983  -1.209   1.729  -0.167
+  422LYS    HD2 5984  -1.116   1.825  -0.287
+  422LYS     CE 5985  -1.158   1.930  -0.100
+  422LYS    HE1 5986  -1.075   2.003  -0.108
+  422LYS    HE2 5987  -1.175   1.906   0.007
+  422LYS     NZ 5988  -1.281   1.992  -0.151
+  422LYS    HZ1 5989  -1.360   1.925  -0.139
+  422LYS    HZ2 5990  -1.271   2.015  -0.252
+  422LYS    HZ3 5991  -1.307   2.079  -0.099
+  422LYS      C 5992  -0.881   1.556   0.191
+  422LYS      O 5993  -0.921   1.442   0.194
+  423PHE      N 5994  -0.849   1.624   0.304
+  423PHE     HN 5995  -0.812   1.716   0.300
+  423PHE     CA 5996  -0.854   1.562   0.433
+  423PHE     HA 5997  -0.926   1.480   0.433
+  423PHE     CB 5998  -0.713   1.506   0.467
+  423PHE    HB1 5999  -0.637   1.584   0.444
+  423PHE    HB2 6000  -0.692   1.418   0.403
+  423PHE     CG 6001  -0.697   1.465   0.611
+  423PHE    CD1 6002  -0.751   1.343   0.657
+  423PHE    HD1 6003  -0.805   1.279   0.588
+  423PHE    CE1 6004  -0.735   1.304   0.790
+  423PHE    HE1 6005  -0.776   1.211   0.824
+  423PHE     CZ 6006  -0.664   1.387   0.879
+  423PHE     HZ 6007  -0.651   1.355   0.981
+  423PHE    CD2 6008  -0.626   1.546   0.701
+  423PHE    HD2 6009  -0.583   1.639   0.665
+  423PHE    CE2 6010  -0.609   1.508   0.834
+  423PHE    HE2 6011  -0.552   1.569   0.902
+  423PHE      C 6012  -0.906   1.663   0.532
+  423PHE      O 6013  -0.858   1.778   0.537
+  424GLY      N 6014  -1.006   1.629   0.613
+  424GLY     HN 6015  -1.046   1.536   0.611
+  424GLY     CA 6016  -1.059   1.722   0.711
+  424GLY    HA1 6017  -1.123   1.792   0.660
+  424GLY    HA2 6018  -0.978   1.768   0.765
+  424GLY      C 6019  -1.144   1.643   0.808
+  424GLY      O 6020  -1.153   1.524   0.795
+  425PRO      N 6021  -1.207   1.711   0.905
+  425PRO     CD 6022  -1.178   1.849   0.941
+  425PRO    HD1 6023  -1.219   1.917   0.863
+  425PRO    HD2 6024  -1.069   1.865   0.954
+  425PRO     CA 6025  -1.322   1.658   0.979
+  425PRO     HA 6026  -1.283   1.581   1.044
+  425PRO     CB 6027  -1.376   1.780   1.054
+  425PRO    HB1 6028  -1.423   1.751   1.151
+  425PRO    HB2 6029  -1.450   1.835   0.992
+  425PRO     CG 6030  -1.252   1.868   1.074
+  425PRO    HG1 6031  -1.277   1.974   1.095
+  425PRO    HG2 6032  -1.191   1.826   1.157
+  425PRO      C 6033  -1.429   1.592   0.895
+  425PRO      O 6034  -1.442   1.624   0.776
+  426ILE      N 6035  -1.509   1.502   0.953
+  426ILE     HN 6036  -1.495   1.480   1.049
+  426ILE     CA 6037  -1.620   1.437   0.884
+  426ILE     HA 6038  -1.578   1.389   0.796
+  426ILE     CB 6039  -1.684   1.327   0.968
+  426ILE     HB 6040  -1.715   1.371   1.065
+  426ILE    CG2 6041  -1.810   1.270   0.901
+  426ILE   HG21 6042  -1.784   1.229   0.801
+  426ILE   HG22 6043  -1.890   1.346   0.888
+  426ILE   HG23 6044  -1.854   1.187   0.961
+  426ILE    CG1 6045  -1.579   1.217   0.995
+  426ILE   HG11 6046  -1.483   1.261   1.030
+  426ILE   HG12 6047  -1.557   1.166   0.899
+  426ILE     CD 6048  -1.622   1.114   1.099
+  426ILE    HD1 6049  -1.713   1.059   1.066
+  426ILE    HD2 6050  -1.642   1.162   1.197
+  426ILE    HD3 6051  -1.541   1.040   1.113
+  426ILE      C 6052  -1.724   1.535   0.832
+  426ILE      O 6053  -1.781   1.614   0.909
+  427GLY      N 6054  -1.751   1.532   0.700
+  427GLY     HN 6055  -1.702   1.466   0.641
+  427GLY     CA 6056  -1.845   1.621   0.633
+  427GLY    HA1 6057  -1.927   1.643   0.700
+  427GLY    HA2 6058  -1.876   1.572   0.542
+  427GLY      C 6059  -1.784   1.752   0.593
+  427GLY      O 6060  -1.855   1.854   0.580
+  428SER      N 6061  -1.651   1.758   0.572
+  428SER     HN 6062  -1.597   1.674   0.581
+  428SER     CA 6063  -1.585   1.882   0.533
+  428SER     HA 6064  -1.659   1.960   0.523
+  428SER     CB 6065  -1.482   1.933   0.638
+  428SER    HB1 6066  -1.533   1.942   0.737
+  428SER    HB2 6067  -1.447   2.034   0.609
+  428SER     OG 6068  -1.369   1.848   0.651
+  428SER    HG1 6069  -1.401   1.763   0.688
+  428SER      C 6070  -1.516   1.875   0.400
+  428SER      O 6071  -1.481   1.980   0.343
+  429THR      N 6072  -1.497   1.756   0.340
+  429THR     HN 6073  -1.529   1.670   0.384
+  429THR     CA 6074  -1.413   1.743   0.221
+  429THR     HA 6075  -1.339   1.821   0.223
+  429THR     CB 6076  -1.336   1.612   0.214
+  429THR     HB 6077  -1.277   1.606   0.120
+  429THR    OG1 6078  -1.422   1.498   0.219
+  429THR    HG1 6079  -1.467   1.498   0.306
+  429THR    CG2 6080  -1.237   1.603   0.331
+  429THR   HG21 6081  -1.291   1.602   0.429
+  429THR   HG22 6082  -1.167   1.688   0.331
+  429THR   HG23 6083  -1.179   1.508   0.325
+  429THR      C 6084  -1.490   1.763   0.093
+  429THR      O 6085  -1.432   1.776  -0.016
+  430GLY      N 6086  -1.624   1.776   0.102
+  430GLY     HN 6087  -1.668   1.761   0.192
+  430GLY     CA 6088  -1.710   1.815  -0.009
+  430GLY    HA1 6089  -1.812   1.795   0.020
+  430GLY    HA2 6090  -1.680   1.762  -0.098
+  430GLY      C 6091  -1.702   1.962  -0.036
+  430GLY      O 6092  -1.715   2.007  -0.151
+  431ASN      N 6093  -1.680   2.041   0.069
+  431ASN     HN 6094  -1.665   1.999   0.158
+  431ASN     CA 6095  -1.676   2.186   0.067
+  431ASN     HA 6096  -1.771   2.214   0.023
+  431ASN     CB 6097  -1.668   2.244   0.211
+  431ASN    HB1 6098  -1.670   2.355   0.207
+  431ASN    HB2 6099  -1.573   2.212   0.259
+  431ASN     CG 6100  -1.789   2.200   0.292
+  431ASN    OD1 6101  -1.902   2.193   0.245
+  431ASN    ND2 6102  -1.766   2.165   0.421
+  431ASN   HD21 6103  -1.844   2.125   0.471
+  431ASN   HD22 6104  -1.675   2.171   0.458
+  431ASN      C 6105  -1.564   2.241  -0.024
+  431ASN      O 6106  -1.460   2.174  -0.038
+  432PRO      N 6107  -1.582   2.355  -0.091
+  432PRO     CD 6108  -1.700   2.442  -0.076
+  432PRO    HD1 6109  -1.696   2.491   0.024
+  432PRO    HD2 6110  -1.795   2.386  -0.088
+  432PRO     CA 6111  -1.486   2.414  -0.184
+  432PRO     HA 6112  -1.497   2.356  -0.275
+  432PRO     CB 6113  -1.535   2.559  -0.203
+  432PRO    HB1 6114  -1.505   2.601  -0.301
+  432PRO    HB2 6115  -1.495   2.623  -0.121
+  432PRO     CG 6116  -1.686   2.547  -0.186
+  432PRO    HG1 6117  -1.734   2.643  -0.158
+  432PRO    HG2 6118  -1.732   2.508  -0.280
+  432PRO      C 6119  -1.338   2.407  -0.151
+  432PRO      O 6120  -1.297   2.436  -0.039
+  433SER      N 6121  -1.255   2.369  -0.249
+  433SER     HN 6122  -1.291   2.343  -0.338
+  433SER     CA 6123  -1.111   2.379  -0.239
+  433SER     HA 6124  -1.081   2.332  -0.146
+  433SER     CB 6125  -1.039   2.306  -0.354
+  433SER    HB1 6126  -0.929   2.313  -0.340
+  433SER    HB2 6127  -1.064   2.355  -0.451
+  433SER     OG 6128  -1.078   2.168  -0.360
+  433SER    HG1 6129  -1.018   2.131  -0.426
+  433SER      C 6130  -1.060   2.522  -0.235
+  433SER      O 6131  -1.117   2.610  -0.303
+  434GLY      N 6132  -0.952   2.549  -0.161
+  434GLY     HN 6133  -0.903   2.476  -0.112
+  434GLY     CA 6134  -0.886   2.679  -0.153
+  434GLY    HA1 6135  -0.918   2.727  -0.061
+  434GLY    HA2 6136  -0.910   2.737  -0.241
+  434GLY      C 6137  -0.733   2.661  -0.149
+  434GLY    OT1 6138  -0.679   2.585  -0.234
+  434GLY    OT2 6139  -0.666   2.723  -0.062
+    1BGLC    C1 6140  -0.706  -1.426   0.189
+    1BGLC    H1 6141  -0.691  -1.434   0.299
+    1BGLC    O1 6142  -0.753  -1.549   0.139
+    1BGLC   HO1 6143  -0.691  -1.613   0.175
+    1BGLC    C5 6144  -0.763  -1.201   0.224
+    1BGLC    H5 6145  -0.746  -1.222   0.333
+    1BGLC    O5 6146  -0.799  -1.324   0.157
+    1BGLC    C2 6147  -0.576  -1.389   0.119
+    1BGLC    H2 6148  -0.600  -1.378   0.011
+    1BGLC    O2 6149  -0.473  -1.490   0.129
+    1BGLC   HO2 6150  -0.395  -1.450   0.090
+    1BGLC    C3 6151  -0.524  -1.255   0.167
+    1BGLC    H3 6152  -0.490  -1.267   0.273
+    1BGLC    O3 6153  -0.411  -1.215   0.089
+    1BGLC   HO3 6154  -0.374  -1.134   0.128
+    1BGLC    C4 6155  -0.632  -1.148   0.166
+    1BGLC    H4 6156  -0.653  -1.116   0.062
+    1BGLC    O4 6157  -0.590  -1.038   0.247
+    1BGLC    C6 6158  -0.880  -1.105   0.218
+    1BGLC   H61 6159  -0.855  -1.011   0.274
+    1BGLC   H62 6160  -0.967  -1.150   0.271
+    1BGLC    O6 6161  -0.922  -1.072   0.085
+    1BGLC   HO6 6162  -0.990  -1.003   0.096
+    2BGLC    C1 6163  -0.523  -0.933   0.181
+    2BGLC    H1 6164  -0.555  -0.926   0.075
+    2BGLC    C5 6165  -0.309  -0.850   0.119
+    2BGLC    H5 6166  -0.350  -0.843   0.016
+    2BGLC    O5 6167  -0.381  -0.953   0.190
+    2BGLC    C2 6168  -0.556  -0.803   0.252
+    2BGLC    H2 6169  -0.521  -0.812   0.357
+    2BGLC    O2 6170  -0.698  -0.783   0.254
+    2BGLC   HO2 6171  -0.727  -0.789   0.347
+    2BGLC    C3 6172  -0.481  -0.687   0.188
+    2BGLC    H3 6173  -0.516  -0.678   0.082
+    2BGLC    O3 6174  -0.512  -0.566   0.255
+    2BGLC   HO3 6175  -0.484  -0.482   0.213
+    2BGLC    C4 6176  -0.332  -0.715   0.188
+    2BGLC    H4 6177  -0.295  -0.721   0.293
+    2BGLC    O4 6178  -0.257  -0.617   0.115
+    2BGLC    C6 6179  -0.164  -0.891   0.108
+    2BGLC   H61 6180  -0.116  -0.886   0.208
+    2BGLC   H62 6181  -0.109  -0.821   0.041
+    2BGLC    O6 6182  -0.149  -1.025   0.058
+    2BGLC   HO6 6183  -0.169  -1.026  -0.036
+    3BGLC    C1 6184  -0.204  -0.507   0.187
+    3BGLC    H1 6185  -0.270  -0.482   0.273
+    3BGLC    C5 6186  -0.098  -0.309   0.089
+    3BGLC    H5 6187  -0.089  -0.248   0.182
+    3BGLC    O5 6188  -0.212  -0.395   0.097
+    3BGLC    C2 6189  -0.066  -0.548   0.243
+    3BGLC    H2 6190  -0.044  -0.647   0.196
+    3BGLC    O2 6191  -0.069  -0.573   0.384
+    3BGLC   HO2 6192  -0.078  -0.488   0.432
+    3BGLC    C3 6193   0.052  -0.461   0.204
+    3BGLC    H3 6194   0.064  -0.380   0.281
+    3BGLC    O3 6195   0.174  -0.537   0.204
+    3BGLC   HO3 6196   0.233  -0.503   0.275
+    3BGLC    C4 6197   0.026  -0.394   0.072
+    3BGLC    H4 6198   0.003  -0.473  -0.004
+    3BGLC    O4 6199   0.134  -0.311   0.027
+    3BGLC    C6 6200  -0.125  -0.213  -0.026
+    3BGLC   H61 6201  -0.036  -0.151  -0.047
+    3BGLC   H62 6202  -0.207  -0.145   0.005
+    3BGLC    O6 6203  -0.165  -0.282  -0.145
+    3BGLC   HO6 6204  -0.243  -0.332  -0.116
+    4BGLC    C1 6205   0.197  -0.364  -0.087
+    4BGLC    H1 6206   0.121  -0.390  -0.165
+    4BGLC    C5 6207   0.327  -0.548  -0.162
+    4BGLC    H5 6208   0.244  -0.573  -0.232
+    4BGLC    O5 6209   0.277  -0.476  -0.050
+    4BGLC    C2 6210   0.295  -0.262  -0.140
+    4BGLC    H2 6211   0.368  -0.243  -0.058
+    4BGLC    O2 6212   0.232  -0.136  -0.172
+    4BGLC   HO2 6213   0.211  -0.093  -0.087
+    4BGLC    C3 6214   0.368  -0.321  -0.259
+    4BGLC    H3 6215   0.291  -0.336  -0.339
+    4BGLC    O3 6216   0.469  -0.234  -0.310
+    4BGLC   HO3 6217   0.485  -0.262  -0.401
+    4BGLC    C4 6218   0.428  -0.457  -0.230
+    4BGLC    H4 6219   0.514  -0.444  -0.160
+    4BGLC    O4 6220   0.472  -0.513  -0.355
+    4BGLC    C6 6221   0.385  -0.675  -0.105
+    4BGLC   H61 6222   0.461  -0.651  -0.027
+    4BGLC   H62 6223   0.435  -0.734  -0.185
+    4BGLC    O6 6224   0.284  -0.758  -0.046
+    4BGLC   HO6 6225   0.243  -0.707   0.026
+    5BGLC    C1 6226   0.604  -0.561  -0.357
+    5BGLC    H1 6227   0.613  -0.648  -0.289
+    5BGLC    C5 6228   0.831  -0.509  -0.321
+    5BGLC    H5 6229   0.835  -0.609  -0.272
+    5BGLC    O5 6230   0.697  -0.459  -0.319
+    5BGLC    C2 6231   0.632  -0.605  -0.501
+    5BGLC    H2 6232   0.607  -0.518  -0.567
+    5BGLC    O2 6233   0.549  -0.715  -0.541
+    5BGLC   HO2 6234   0.486  -0.690  -0.611
+    5BGLC    C3 6235   0.779  -0.638  -0.521
+    5BGLC    H3 6236   0.801  -0.731  -0.463
+    5BGLC    O3 6237   0.809  -0.668  -0.658
+    5BGLC   HO3 6238   0.749  -0.736  -0.689
+    5BGLC    C4 6239   0.866  -0.527  -0.468
+    5BGLC    H4 6240   0.842  -0.434  -0.524
+    5BGLC    O4 6241   1.006  -0.558  -0.479
+    5BGLC    C6 6242   0.925  -0.419  -0.242
+    5BGLC   H61 6243   0.919  -0.315  -0.283
+    5BGLC   H62 6244   1.029  -0.455  -0.255
+    5BGLC    O6 6245   0.895  -0.417  -0.102
+    5BGLC   HO6 6246   0.904  -0.507  -0.064
+    6BGLC    C1 6247   1.080  -0.454  -0.537
+    6BGLC    H1 6248   1.051  -0.357  -0.489
+    6BGLC    C5 6249   1.116  -0.331  -0.735
+    6BGLC    H5 6250   1.080  -0.243  -0.677
+    6BGLC    O5 6251   1.058  -0.449  -0.678
+    6BGLC    C2 6252   1.228  -0.479  -0.519
+    6BGLC    H2 6253   1.253  -0.571  -0.577
+    6BGLC    O2 6254   1.265  -0.501  -0.382
+    6BGLC   HO2 6255   1.326  -0.575  -0.380
+    6BGLC    C3 6256   1.307  -0.363  -0.578
+    6BGLC    H3 6257   1.279  -0.272  -0.521
+    6BGLC    O3 6258   1.449  -0.381  -0.566
+    6BGLC   HO3 6259   1.489  -0.298  -0.598
+    6BGLC    C4 6260   1.267  -0.341  -0.722
+    6BGLC    H4 6261   1.301  -0.427  -0.784
+    6BGLC    O4 6262   1.320  -0.218  -0.770
+    6BGLC    C6 6263   1.064  -0.313  -0.877
+    6BGLC   H61 6264   1.076  -0.206  -0.908
+    6BGLC   H62 6265   0.955  -0.336  -0.879
+    6BGLC    O6 6266   1.132  -0.394  -0.974
+    6BGLC   HO6 6267   1.212  -0.350  -1.004
+    7BGLC    C1 6268   1.439  -0.224  -0.842
+    7BGLC    H1 6269   1.446  -0.318  -0.902
+    7BGLC    C5 6270   1.676  -0.215  -0.824
+    7BGLC    H5 6271   1.678  -0.305  -0.891
+    7BGLC    O5 6272   1.551  -0.210  -0.753
+    7BGLC    C2 6273   1.433  -0.103  -0.933
+    7BGLC    H2 6274   1.407  -0.015  -0.869
+    7BGLC    O2 6275   1.329  -0.120  -1.031
+    7BGLC   HO2 6276   1.264  -0.048  -1.026
+    7BGLC    C3 6277   1.566  -0.073  -1.000
+    7BGLC    H3 6278   1.577  -0.147  -1.084
+    7BGLC    O3 6279   1.564   0.058  -1.055
+    7BGLC   HO3 6280   1.629   0.064  -1.126
+    7BGLC    C4 6281   1.685  -0.090  -0.910
+    7BGLC    H4 6282   1.692  -0.002  -0.841
+    7BGLC    O4 6283   1.804  -0.102  -0.990
+    7BGLC    C6 6284   1.789  -0.225  -0.724
+    7BGLC   H61 6285   1.780  -0.140  -0.652
+    7BGLC   H62 6286   1.887  -0.214  -0.777
+    7BGLC    O6 6287   1.791  -0.347  -0.649
+    7BGLC   HO6 6288   1.811  -0.421  -0.708
+    8BGLC    C1 6289   1.890   0.009  -0.988
+    8BGLC    H1 6290   1.909   0.041  -0.882
+    8BGLC    C5 6291   1.921   0.232  -1.061
+    8BGLC    H5 6292   1.942   0.255  -0.954
+    8BGLC    O5 6293   1.838   0.116  -1.067
+    8BGLC    C2 6294   2.020  -0.035  -1.053
+    8BGLC    H2 6295   1.995  -0.071  -1.155
+    8BGLC    O2 6296   2.079  -0.145  -0.981
+    8BGLC   HO2 6297   2.138  -0.193  -1.042
+    8BGLC    C3 6298   2.118   0.080  -1.066
+    8BGLC    H3 6299   2.150   0.110  -0.964
+    8BGLC    O3 6300   2.235   0.042  -1.139
+    8BGLC   HO3 6301   2.299   0.114  -1.132
+    8BGLC    C4 6302   2.053   0.201  -1.131
+    8BGLC    H4 6303   2.031   0.176  -1.238
+    8BGLC    O4 6304   2.138   0.315  -1.127
+    8BGLC   HO4 6305   2.114   0.375  -1.199
+    8BGLC    C6 6306   1.847   0.351  -1.118
+    8BGLC   H61 6307   1.901   0.444  -1.090
+    8BGLC   H62 6308   1.745   0.357  -1.073
+    8BGLC    O6 6309   1.838   0.347  -1.261
+    8BGLC   HO6 6310   1.773   0.279  -1.289
+    1TIP3   OH2 6311  -3.158  -3.372  -3.629
+    1TIP3    H1 6312  -3.161  -3.275  -3.620
+    1TIP3    H2 6313  -3.237  -3.387  -3.684
+    2TIP3   OH2 6314  -3.276  -3.423  -3.320
+    2TIP3    H1 6315  -3.276  -3.477  -3.240
+    2TIP3    H2 6316  -3.303  -3.487  -3.387
+    3TIP3   OH2 6317  -4.028  -3.463  -3.156
+    3TIP3    H1 6318  -4.033  -3.537  -3.092
+    3TIP3    H2 6319  -3.959  -3.408  -3.116
+    4TIP3   OH2 6320  -2.928  -3.166  -3.453
+    4TIP3    H1 6321  -2.954  -3.233  -3.387
+    4TIP3    H2 6322  -2.839  -3.141  -3.424
+    5TIP3   OH2 6323  -3.959  -3.001  -3.307
+    5TIP3    H1 6324  -3.988  -3.091  -3.332
+    5TIP3    H2 6325  -3.867  -3.017  -3.283
+    6TIP3   OH2 6326  -4.213  -3.615  -3.872
+    6TIP3    H1 6327  -4.231  -3.533  -3.823
+    6TIP3    H2 6328  -4.303  -3.641  -3.897
+    7TIP3   OH2 6329  -4.206  -3.429  -3.604
+    7TIP3    H1 6330  -4.188  -3.489  -3.530
+    7TIP3    H2 6331  -4.121  -3.384  -3.615
+    8TIP3   OH2 6332  -3.198  -2.738  -3.375
+    8TIP3    H1 6333  -3.220  -2.687  -3.419
+    8TIP3    H2 6334  -3.287  -2.757  -3.329
+    9TIP3   OH2 6335  -3.425  -3.171  -3.266
+    9TIP3    H1 6336  -3.392  -3.244  -3.319
+    9TIP3    H2 6337  -3.345  -3.155  -3.211
+   10TIP3   OH2 6338  -2.572  -4.016  -3.207
+   10TIP3    H1 6339  -2.537  -3.974  -3.127
+   10TIP3    H2 6340  -2.505  -3.987  -3.272
+   11TIP3   OH2 6341  -3.098  -3.740  -3.212
+   11TIP3    H1 6342  -3.078  -3.835  -3.209
+   11TIP3    H2 6343  -3.106  -3.725  -3.307
+   12TIP3   OH2 6344  -3.803  -3.941  -3.502
+   12TIP3    H1 6345  -3.784  -3.857  -3.547
+   12TIP3    H2 6346  -3.833  -3.995  -3.577
+   13TIP3   OH2 6347  -3.013  -3.923  -3.671
+   13TIP3    H1 6348  -2.953  -3.966  -3.607
+   13TIP3    H2 6349  -2.949  -3.878  -3.728
+   14TIP3   OH2 6350  -4.139  -3.663  -3.451
+   14TIP3    H1 6351  -4.080  -3.705  -3.386
+   14TIP3    H2 6352  -4.120  -3.717  -3.530
+   15TIP3   OH2 6353  -3.592  -3.526  -3.509
+   15TIP3    H1 6354  -3.521  -3.580  -3.469
+   15TIP3    H2 6355  -3.643  -3.593  -3.557
+   16TIP3   OH2 6356  -2.477  -3.848  -2.944
+   16TIP3    H1 6357  -2.554  -3.797  -2.974
+   16TIP3    H2 6358  -2.512  -3.888  -2.863
+   17TIP3   OH2 6359  -3.917  -4.052  -3.082
+   17TIP3    H1 6360  -3.957  -4.008  -3.159
+   17TIP3    H2 6361  -3.987  -4.035  -3.015
+   18TIP3   OH2 6362  -3.187  -3.111  -3.745
+   18TIP3    H1 6363  -3.198  -3.122  -3.840
+   18TIP3    H2 6364  -3.220  -3.022  -3.729
+   19TIP3   OH2 6365  -3.626  -3.270  -3.078
+   19TIP3    H1 6366  -3.698  -3.210  -3.050
+   19TIP3    H2 6367  -3.563  -3.208  -3.118
+   20TIP3   OH2 6368  -2.825  -4.012  -3.467
+   20TIP3    H1 6369  -2.871  -4.061  -3.398
+   20TIP3    H2 6370  -2.771  -3.950  -3.415
+   21TIP3   OH2 6371  -3.958  -3.851  -3.295
+   21TIP3    H1 6372  -3.894  -3.793  -3.250
+   21TIP3    H2 6373  -3.902  -3.888  -3.366
+   22TIP3   OH2 6374  -3.828  -3.084  -3.005
+   22TIP3    H1 6375  -3.829  -2.990  -3.034
+   22TIP3    H2 6376  -3.916  -3.089  -2.963
+   23TIP3   OH2 6377  -4.183  -3.120  -3.917
+   23TIP3    H1 6378  -4.261  -3.100  -3.973
+   23TIP3    H2 6379  -4.196  -3.058  -3.842
+   24TIP3   OH2 6380  -2.843  -2.960  -3.213
+   24TIP3    H1 6381  -2.938  -2.970  -3.236
+   24TIP3    H2 6382  -2.821  -2.885  -3.271
+   25TIP3   OH2 6383  -2.808  -4.110  -3.066
+   25TIP3    H1 6384  -2.888  -4.077  -3.110
+   25TIP3    H2 6385  -2.742  -4.097  -3.136
+   26TIP3   OH2 6386  -3.497   4.382  -3.359
+   26TIP3    H1 6387  -3.500   4.286  -3.355
+   26TIP3    H2 6388  -3.587   4.411  -3.334
+   27TIP3   OH2 6389  -3.010  -2.683  -3.610
+   27TIP3    H1 6390  -3.068  -2.749  -3.642
+   27TIP3    H2 6391  -2.942  -2.674  -3.682
+   28TIP3   OH2 6392  -2.838  -3.072  -3.688
+   28TIP3    H1 6393  -2.922  -3.051  -3.699
+   28TIP3    H2 6394  -2.835  -3.152  -3.647
+   29TIP3   OH2 6395  -2.722  -3.105  -2.871
+   29TIP3    H1 6396  -2.732  -3.169  -2.943
+   29TIP3    H2 6397  -2.710  -3.021  -2.921
+   30TIP3   OH2 6398  -3.292  -3.418  -3.906
+   30TIP3    H1 6399  -3.359  -3.356  -3.941
+   30TIP3    H2 6400  -3.219  -3.409  -3.969
+   31TIP3   OH2 6401  -3.275  -3.594  -4.204
+   31TIP3    H1 6402  -3.207  -3.562  -4.143
+   31TIP3    H2 6403  -3.221  -3.655  -4.259
+   32TIP3   OH2 6404  -2.546  -3.488  -3.077
+   32TIP3    H1 6405  -2.618  -3.423  -3.068
+   32TIP3    H2 6406  -2.498  -3.454  -3.155
+   33TIP3   OH2 6407  -2.955  -3.462  -3.797
+   33TIP3    H1 6408  -3.019  -3.431  -3.730
+   33TIP3    H2 6409  -2.883  -3.497  -3.741
+   34TIP3   OH2 6410  -2.961  -3.562  -2.911
+   34TIP3    H1 6411  -2.954  -3.482  -2.856
+   34TIP3    H2 6412  -3.024  -3.530  -2.977
+   35TIP3   OH2 6413  -3.780  -3.335  -3.618
+   35TIP3    H1 6414  -3.815  -3.380  -3.697
+   35TIP3    H2 6415  -3.718  -3.402  -3.583
+   36TIP3   OH2 6416  -3.644  -2.997  -3.345
+   36TIP3    H1 6417  -3.658  -3.042  -3.428
+   36TIP3    H2 6418  -3.566  -3.045  -3.308
+   37TIP3   OH2 6419  -3.728  -3.453  -3.269
+   37TIP3    H1 6420  -3.668  -3.453  -3.346
+   37TIP3    H2 6421  -3.686  -3.389  -3.208
+   38TIP3   OH2 6422  -3.129  -2.922  -3.197
+   38TIP3    H1 6423  -3.123  -2.847  -3.134
+   38TIP3    H2 6424  -3.152  -3.001  -3.151
+   39TIP3   OH2 6425  -3.642  -3.025  -2.784
+   39TIP3    H1 6426  -3.693  -2.958  -2.734
+   39TIP3    H2 6427  -3.707  -3.050  -2.853
+   40TIP3   OH2 6428  -3.040  -3.466  -4.062
+   40TIP3    H1 6429  -2.998  -3.453  -3.974
+   40TIP3    H2 6430  -2.972  -3.425  -4.120
+   41TIP3   OH2 6431  -3.956  -3.390  -2.868
+   41TIP3    H1 6432  -3.947  -3.329  -2.792
+   41TIP3    H2 6433  -4.053  -3.393  -2.878
+   42TIP3   OH2 6434  -3.290  -2.776  -3.693
+   42TIP3    H1 6435  -3.285  -2.806  -3.602
+   42TIP3    H2 6436  -3.377  -2.734  -3.699
+   43TIP3   OH2 6437  -3.835  -2.810  -2.700
+   43TIP3    H1 6438  -3.844  -2.804  -2.797
+   43TIP3    H2 6439  -3.927  -2.826  -2.671
+   44TIP3   OH2 6440  -2.717  -4.336  -4.128
+   44TIP3    H1 6441  -2.763  -4.332  -4.043
+   44TIP3    H2 6442  -2.651  -4.266  -4.114
+   45TIP3   OH2 6443  -3.893  -3.464  -3.866
+   45TIP3    H1 6444  -3.919  -3.387  -3.919
+   45TIP3    H2 6445  -3.963  -3.527  -3.887
+   46TIP3   OH2 6446  -2.534  -2.901  -4.310
+   46TIP3    H1 6447  -2.508  -2.811  -4.287
+   46TIP3    H2 6448  -2.489  -2.953  -4.241
+   47TIP3   OH2 6449  -4.266  -3.181  -3.010
+   47TIP3    H1 6450  -4.288  -3.214  -3.099
+   47TIP3    H2 6451  -4.307  -3.249  -2.954
+   48TIP3   OH2 6452  -4.281  -2.902  -3.313
+   48TIP3    H1 6453  -4.196  -2.942  -3.293
+   48TIP3    H2 6454  -4.301  -2.852  -3.233
+   49TIP3   OH2 6455  -2.443  -2.842  -2.720
+   49TIP3    H1 6456  -2.454  -2.938  -2.737
+   49TIP3    H2 6457  -2.533  -2.818  -2.691
+   50TIP3   OH2 6458  -3.378  -2.919  -2.841
+   50TIP3    H1 6459  -3.369  -2.837  -2.786
+   50TIP3    H2 6460  -3.468  -2.949  -2.816
+   51TIP3   OH2 6461  -3.973  -2.628  -3.679
+   51TIP3    H1 6462  -3.954  -2.667  -3.591
+   51TIP3    H2 6463  -4.053  -2.678  -3.702
+   52TIP3   OH2 6464  -2.963  -2.857  -3.893
+   52TIP3    H1 6465  -2.950  -2.933  -3.951
+   52TIP3    H2 6466  -2.890  -2.871  -3.832
+   53TIP3   OH2 6467  -3.216  -2.477  -3.767
+   53TIP3    H1 6468  -3.255  -2.547  -3.812
+   53TIP3    H2 6469  -3.127  -2.517  -3.743
+   54TIP3   OH2 6470  -2.763  -3.709  -2.680
+   54TIP3    H1 6471  -2.814  -3.669  -2.752
+   54TIP3    H2 6472  -2.756  -3.801  -2.709
+   55TIP3   OH2 6473  -4.070  -3.041  -2.864
+   55TIP3    H1 6474  -4.042  -3.097  -2.789
+   55TIP3    H2 6475  -4.147  -3.091  -2.902
+   56TIP3   OH2 6476  -3.752  -4.222  -3.273
+   56TIP3    H1 6477  -3.838  -4.230  -3.317
+   56TIP3    H2 6478  -3.764  -4.135  -3.230
+   57TIP3   OH2 6479  -3.291  -4.261  -2.917
+   57TIP3    H1 6480  -3.270  -4.310  -2.836
+   57TIP3    H2 6481  -3.386  -4.278  -2.925
+   58TIP3   OH2 6482  -2.995  -3.863  -2.876
+   58TIP3    H1 6483  -3.051  -3.875  -2.797
+   58TIP3    H2 6484  -2.999  -3.767  -2.892
+   59TIP3   OH2 6485  -2.829  -3.383  -4.248
+   59TIP3    H1 6486  -2.846  -3.411  -4.338
+   59TIP3    H2 6487  -2.779  -3.301  -4.262
+   60TIP3   OH2 6488  -3.329  -3.997  -4.213
+   60TIP3    H1 6489  -3.384  -3.996  -4.133
+   60TIP3    H2 6490  -3.378  -4.062  -4.266
+   61TIP3   OH2 6491  -3.762  -3.715  -3.148
+   61TIP3    H1 6492  -3.820  -3.703  -3.072
+   61TIP3    H2 6493  -3.755  -3.624  -3.184
+   62TIP3   OH2 6494  -3.769  -3.709  -3.659
+   62TIP3    H1 6495  -3.865  -3.716  -3.677
+   62TIP3    H2 6496  -3.733  -3.727  -3.748
+   63TIP3   OH2 6497  -3.207  -3.657  -3.787
+   63TIP3    H1 6498  -3.245  -3.573  -3.819
+   63TIP3    H2 6499  -3.135  -3.670  -3.850
+   64TIP3   OH2 6500  -3.287  -3.632  -2.650
+   64TIP3    H1 6501  -3.338  -3.706  -2.611
+   64TIP3    H2 6502  -3.200  -3.642  -2.606
+   65TIP3   OH2 6503  -3.120  -3.712  -3.505
+   65TIP3    H1 6504  -3.149  -3.655  -3.579
+   65TIP3    H2 6505  -3.100  -3.793  -3.555
+   66TIP3   OH2 6506  -4.026  -3.697  -2.965
+   66TIP3    H1 6507  -3.995  -3.662  -2.881
+   66TIP3    H2 6508  -4.052  -3.788  -2.941
+   67TIP3   OH2 6509  -3.653  -3.961  -4.315
+   67TIP3    H1 6510  -3.685  -3.987  -4.227
+   67TIP3    H2 6511  -3.727  -3.908  -4.348
+   68TIP3   OH2 6512  -4.321  -3.942  -3.601
+   68TIP3    H1 6513  -4.303  -3.970  -3.510
+   68TIP3    H2 6514  -4.287  -4.015  -3.653
+   69TIP3   OH2 6515  -4.206  -3.894  -4.021
+   69TIP3    H1 6516  -4.147  -3.868  -4.093
+   69TIP3    H2 6517  -4.289  -3.851  -4.045
+   70TIP3   OH2 6518  -3.215  -3.544  -3.060
+   70TIP3    H1 6519  -3.168  -3.616  -3.109
+   70TIP3    H2 6520  -3.243  -3.589  -2.980
+   71TIP3   OH2 6521  -3.490  -3.941  -3.560
+   71TIP3    H1 6522  -3.583  -3.961  -3.539
+   71TIP3    H2 6523  -3.445  -3.973  -3.480
+   72TIP3   OH2 6524  -4.040  -3.822  -3.695
+   72TIP3    H1 6525  -4.115  -3.808  -3.755
+   72TIP3    H2 6526  -4.003  -3.906  -3.730
+   73TIP3   OH2 6527  -3.674  -3.786  -3.921
+   73TIP3    H1 6528  -3.577  -3.784  -3.917
+   73TIP3    H2 6529  -3.695  -3.727  -3.996
+   74TIP3   OH2 6530  -3.056  -4.032  -3.256
+   74TIP3    H1 6531  -3.119  -4.035  -3.181
+   74TIP3    H2 6532  -3.114  -4.063  -3.327
+   75TIP3   OH2 6533  -3.814  -3.672  -4.160
+   75TIP3    H1 6534  -3.875  -3.722  -4.216
+   75TIP3    H2 6535  -3.738  -3.657  -4.219
+   76TIP3   OH2 6536  -2.751  -2.457  -2.590
+   76TIP3    H1 6537  -2.725  -2.411  -2.672
+   76TIP3    H2 6538  -2.685  -2.424  -2.528
+   77TIP3   OH2 6539  -3.953  -3.197  -2.647
+   77TIP3    H1 6540  -3.890  -3.192  -2.572
+   77TIP3    H2 6541  -4.037  -3.184  -2.598
+   78TIP3   OH2 6542  -3.388  -3.693  -3.375
+   78TIP3    H1 6543  -3.317  -3.738  -3.422
+   78TIP3    H2 6544  -3.405  -3.756  -3.301
+   79TIP3   OH2 6545  -3.877  -4.060  -3.754
+   79TIP3    H1 6546  -3.921  -4.146  -3.742
+   79TIP3    H2 6547  -3.791  -4.085  -3.790
+   80TIP3   OH2 6548  -3.493  -3.849  -3.149
+   80TIP3    H1 6549  -3.568  -3.788  -3.149
+   80TIP3    H2 6550  -3.442  -3.823  -3.069
+   81TIP3   OH2 6551  -3.477  -3.208  -3.961
+   81TIP3    H1 6552  -3.553  -3.260  -3.994
+   81TIP3    H2 6553  -3.495  -3.205  -3.864
+   82TIP3   OH2 6554  -2.754  -3.294  -3.087
+   82TIP3    H1 6555  -2.706  -3.239  -3.152
+   82TIP3    H2 6556  -2.841  -3.305  -3.130
+   83TIP3   OH2 6557  -3.061  -3.931  -4.189
+   83TIP3    H1 6558  -3.159  -3.936  -4.186
+   83TIP3    H2 6559  -3.039  -3.859  -4.127
+   84TIP3   OH2 6560  -3.316  -3.210  -2.829
+   84TIP3    H1 6561  -3.341  -3.240  -2.741
+   84TIP3    H2 6562  -3.344  -3.116  -2.828
+   85TIP3   OH2 6563  -3.000  -3.750  -3.990
+   85TIP3    H1 6564  -2.915  -3.765  -3.943
+   85TIP3    H2 6565  -2.986  -3.662  -4.028
+   86TIP3   OH2 6566  -3.978  -3.280  -3.391
+   86TIP3    H1 6567  -3.908  -3.286  -3.459
+   86TIP3    H2 6568  -3.962  -3.360  -3.338
+   87TIP3   OH2 6569  -3.234  -3.072  -4.064
+   87TIP3    H1 6570  -3.266  -2.987  -4.030
+   87TIP3    H2 6571  -3.309  -3.130  -4.041
+   88TIP3   OH2 6572  -4.239  -3.426  -2.823
+   88TIP3    H1 6573  -4.231  -3.492  -2.752
+   88TIP3    H2 6574  -4.286  -3.476  -2.893
+   89TIP3   OH2 6575  -3.541  -3.494  -2.653
+   89TIP3    H1 6576  -3.574  -3.518  -2.741
+   89TIP3    H2 6577  -3.447  -3.520  -2.661
+   90TIP3   OH2 6578  -3.088  -2.950  -2.881
+   90TIP3    H1 6579  -3.185  -2.940  -2.886
+   90TIP3    H2 6580  -3.070  -2.924  -2.790
+   91TIP3   OH2 6581  -2.530  -3.736  -4.001
+   91TIP3    H1 6582  -2.594  -3.756  -4.071
+   91TIP3    H2 6583  -2.518  -3.641  -4.018
+   92TIP3   OH2 6584  -2.489  -3.141  -2.724
+   92TIP3    H1 6585  -2.583  -3.118  -2.743
+   92TIP3    H2 6586  -2.457  -3.158  -2.814
+   93TIP3   OH2 6587  -2.725  -2.870  -4.054
+   93TIP3    H1 6588  -2.810  -2.845  -4.091
+   93TIP3    H2 6589  -2.663  -2.813  -4.100
+   94TIP3   OH2 6590  -2.993  -3.359  -3.249
+   94TIP3    H1 6591  -3.086  -3.372  -3.275
+   94TIP3    H2 6592  -2.950  -3.432  -3.299
+   95TIP3   OH2 6593  -3.726  -2.942  -3.663
+   95TIP3    H1 6594  -3.688  -2.854  -3.656
+   95TIP3    H2 6595  -3.821  -2.922  -3.672
+   96TIP3   OH2 6596  -4.149  -3.463  -4.168
+   96TIP3    H1 6597  -4.078  -3.400  -4.143
+   96TIP3    H2 6598  -4.222  -3.401  -4.183
+   97TIP3   OH2 6599  -3.544  -3.170  -3.690
+   97TIP3    H1 6600  -3.581  -3.082  -3.676
+   97TIP3    H2 6601  -3.613  -3.226  -3.648
+   98TIP3   OH2 6602  -3.528  -2.754  -3.056
+   98TIP3    H1 6603  -3.480  -2.673  -3.078
+   98TIP3    H2 6604  -3.466  -2.798  -2.995
+   99TIP3   OH2 6605  -3.671  -2.617  -3.737
+   99TIP3    H1 6606  -3.765  -2.636  -3.724
+   99TIP3    H2 6607  -3.652  -2.562  -3.660
+  100TIP3   OH2 6608  -3.187  -3.174  -3.099
+  100TIP3    H1 6609  -3.213  -3.200  -3.009
+  100TIP3    H2 6610  -3.112  -3.233  -3.116
+  101TIP3   OH2 6611  -3.007  -3.064  -4.235
+  101TIP3    H1 6612  -2.998  -3.160  -4.247
+  101TIP3    H2 6613  -3.055  -3.060  -4.151
+  102TIP3   OH2 6614  -2.892  -2.715  -2.858
+  102TIP3    H1 6615  -2.967  -2.761  -2.901
+  102TIP3    H2 6616  -2.882  -2.636  -2.914
+  103TIP3   OH2 6617  -2.485  -2.602  -4.152
+  103TIP3    H1 6618  -2.410  -2.539  -4.148
+  103TIP3    H2 6619  -2.561  -2.540  -4.140
+  104TIP3   OH2 6620  -4.106  -3.957  -2.889
+  104TIP3    H1 6621  -4.196  -3.924  -2.906
+  104TIP3    H2 6622  -4.124  -4.045  -2.849
+  105TIP3   OH2 6623  -2.881  -3.184  -3.972
+  105TIP3    H1 6624  -2.887  -3.253  -3.905
+  105TIP3    H2 6625  -2.785  -3.166  -3.972
+  106TIP3   OH2 6626  -4.128  -2.800  -3.046
+  106TIP3    H1 6627  -4.108  -2.894  -3.033
+  106TIP3    H2 6628  -4.097  -2.764  -2.962
+  107TIP3   OH2 6629  -3.518  -2.935  -4.319
+  107TIP3    H1 6630  -3.479  -3.017  -4.354
+  107TIP3    H2 6631  -3.578  -2.971  -4.251
+  108TIP3   OH2 6632  -3.665  -2.984  -4.076
+  108TIP3    H1 6633  -3.616  -3.042  -4.015
+  108TIP3    H2 6634  -3.643  -2.895  -4.043
+  109TIP3   OH2 6635  -3.985  -3.247  -4.041
+  109TIP3    H1 6636  -4.058  -3.208  -3.988
+  109TIP3    H2 6637  -3.939  -3.166  -4.065
+  110TIP3   OH2 6638  -3.216  -4.007  -3.026
+  110TIP3    H1 6639  -3.152  -3.980  -2.959
+  110TIP3    H2 6640  -3.250  -4.092  -2.992
+  111TIP3   OH2 6641  -3.137  -4.049  -3.922
+  111TIP3    H1 6642  -3.118  -3.990  -3.995
+  111TIP3    H2 6643  -3.100  -4.001  -3.846
+  112TIP3   OH2 6644  -3.369  -2.821  -4.015
+  112TIP3    H1 6645  -3.455  -2.776  -4.010
+  112TIP3    H2 6646  -3.322  -2.768  -4.081
+  113TIP3   OH2 6647  -3.406  -3.851  -3.813
+  113TIP3    H1 6648  -3.330  -3.790  -3.801
+  113TIP3    H2 6649  -3.433  -3.867  -3.720
+  114TIP3   OH2 6650  -3.370  -3.762  -2.899
+  114TIP3    H1 6651  -3.361  -3.710  -2.817
+  114TIP3    H2 6652  -3.312  -3.837  -2.883
+  115TIP3   OH2 6653  -3.328  -4.171  -3.714
+  115TIP3    H1 6654  -3.361  -4.097  -3.661
+  115TIP3    H2 6655  -3.274  -4.126  -3.782
+  116TIP3   OH2 6656  -3.638  -2.705  -4.020
+  116TIP3    H1 6657  -3.653  -2.623  -4.069
+  116TIP3    H2 6658  -3.667  -2.680  -3.930
+  117TIP3   OH2 6659  -3.775  -4.044  -4.072
+  117TIP3    H1 6660  -3.777  -3.965  -4.015
+  117TIP3    H2 6661  -3.690  -4.083  -4.043
+  118TIP3   OH2 6662  -2.732  -3.962  -2.818
+  118TIP3    H1 6663  -2.828  -3.953  -2.828
+  118TIP3    H2 6664  -2.710  -3.989  -2.908
+  119TIP3   OH2 6665  -2.890  -3.574  -3.409
+  119TIP3    H1 6666  -2.971  -3.620  -3.435
+  119TIP3    H2 6667  -2.840  -3.644  -3.362
+  120TIP3   OH2 6668  -3.931  -2.950  -4.155
+  120TIP3    H1 6669  -3.845  -2.934  -4.113
+  120TIP3    H2 6670  -3.903  -3.000  -4.234
+  121TIP3   OH2 6671  -4.098  -3.730  -4.268
+  121TIP3    H1 6672  -4.103  -3.640  -4.229
+  121TIP3    H2 6673  -4.191  -3.750  -4.288
+  122TIP3   OH2 6674  -2.791  -2.682  -3.269
+  122TIP3    H1 6675  -2.798  -2.601  -3.322
+  122TIP3    H2 6676  -2.698  -2.679  -3.242
+  123TIP3   OH2 6677  -4.080  -4.236  -3.352
+  123TIP3    H1 6678  -4.062  -4.250  -3.447
+  123TIP3    H2 6679  -4.098  -4.326  -3.324
+  124TIP3   OH2 6680  -4.133  -2.875  -3.744
+  124TIP3    H1 6681  -4.227  -2.850  -3.736
+  124TIP3    H2 6682  -4.109  -2.841  -3.831
+  125TIP3   OH2 6683  -4.214  -2.605  -2.623
+  125TIP3    H1 6684  -4.151  -2.604  -2.549
+  125TIP3    H2 6685  -4.216  -2.701  -2.638
+  126TIP3   OH2 6686  -3.728  -2.692  -2.451
+  126TIP3    H1 6687  -3.658  -2.755  -2.429
+  126TIP3    H2 6688  -3.750  -2.719  -2.541
+  127TIP3   OH2 6689  -3.307  -2.754  -4.318
+  127TIP3    H1 6690  -3.388  -2.809  -4.322
+  127TIP3    H2 6691  -3.242  -2.820  -4.348
+  128TIP3   OH2 6692  -3.080  -2.864  -2.592
+  128TIP3    H1 6693  -3.117  -2.946  -2.554
+  128TIP3    H2 6694  -3.010  -2.842  -2.527
+  129TIP3   OH2 6695  -2.791  -2.246   3.901
+  129TIP3    H1 6696  -2.858  -2.280   3.961
+  129TIP3    H2 6697  -2.712  -2.250   3.957
+  130TIP3   OH2 6698  -4.200  -3.201  -2.560
+  130TIP3    H1 6699  -4.190  -3.288  -2.601
+  130TIP3    H2 6700  -4.286  -3.172  -2.593
+  131TIP3   OH2 6701  -3.772  -3.177  -4.311
+  131TIP3    H1 6702  -3.763  -3.245  -4.243
+  131TIP3    H2 6703  -3.702  -3.200  -4.373
+  132TIP3   OH2 6704  -3.540  -3.216  -2.582
+  132TIP3    H1 6705  -3.569  -3.183  -2.669
+  132TIP3    H2 6706  -3.531  -3.312  -2.597
+  133TIP3   OH2 6707  -3.259  -3.076  -4.351
+  133TIP3    H1 6708  -3.229  -3.058  -4.260
+  133TIP3    H2 6709  -3.192  -3.140  -4.380
+  134TIP3   OH2 6710  -3.002  -3.254  -2.845
+  134TIP3    H1 6711  -2.923  -3.201  -2.863
+  134TIP3    H2 6712  -3.070  -3.185  -2.845
+  135TIP3   OH2 6713  -4.135  -3.533  -2.583
+  135TIP3    H1 6714  -4.053  -3.584  -2.597
+  135TIP3    H2 6715  -4.121  -3.498  -2.494
+  136TIP3   OH2 6716  -3.674  -3.383  -4.090
+  136TIP3    H1 6717  -3.735  -3.429  -4.030
+  136TIP3    H2 6718  -3.639  -3.457  -4.143
+  137TIP3   OH2 6719  -3.751  -3.609  -2.857
+  137TIP3    H1 6720  -3.804  -3.529  -2.838
+  137TIP3    H2 6721  -3.684  -3.573  -2.917
+  138TIP3   OH2 6722  -3.554  -3.572  -4.277
+  138TIP3    H1 6723  -3.547  -3.601  -4.369
+  138TIP3    H2 6724  -3.459  -3.576  -4.251
+  139TIP3   OH2 6725  -3.220  -3.338  -2.502
+  139TIP3    H1 6726  -3.129  -3.355  -2.530
+  139TIP3    H2 6727  -3.243  -3.421  -2.458
+  140TIP3   OH2 6728  -3.694  -3.881  -2.745
+  140TIP3    H1 6729  -3.682  -3.944  -2.818
+  140TIP3    H2 6730  -3.711  -3.799  -2.793
+  141TIP3   OH2 6731  -3.651  -4.038  -3.003
+  141TIP3    H1 6732  -3.599  -3.982  -3.064
+  141TIP3    H2 6733  -3.743  -4.026  -3.036
+  142TIP3   OH2 6734  -3.503  -3.489  -2.957
+  142TIP3    H1 6735  -3.418  -3.497  -3.003
+  142TIP3    H2 6736  -3.532  -3.400  -2.987
+  143TIP3   OH2 6737  -3.045  -3.694  -2.480
+  143TIP3    H1 6738  -3.024  -3.786  -2.462
+  143TIP3    H2 6739  -2.957  -3.654  -2.482
+  144TIP3   OH2 6740  -2.947  -3.415  -2.631
+  144TIP3    H1 6741  -2.981  -3.353  -2.698
+  144TIP3    H2 6742  -2.857  -3.430  -2.666
+  145TIP3   OH2 6743  -3.882  -3.691  -2.566
+  145TIP3    H1 6744  -3.928  -3.777  -2.565
+  145TIP3    H2 6745  -3.797  -3.715  -2.607
+  146TIP3   OH2 6746  -3.605  -4.277  -2.879
+  146TIP3    H1 6747  -3.592  -4.187  -2.915
+  146TIP3    H2 6748  -3.697  -4.291  -2.906
+  147TIP3   OH2 6749  -3.457  -3.844  -2.586
+  147TIP3    H1 6750  -3.487  -3.871  -2.497
+  147TIP3    H2 6751  -3.538  -3.864  -2.636
+  148TIP3   OH2 6752  -3.198  -3.945  -2.687
+  148TIP3    H1 6753  -3.286  -3.931  -2.649
+  148TIP3    H2 6754  -3.160  -4.010  -2.625
+  149TIP3   OH2 6755  -3.029  -4.136  -2.520
+  149TIP3    H1 6756  -3.038  -4.224  -2.480
+  149TIP3    H2 6757  -3.039  -4.077  -2.443
+  150TIP3   OH2 6758  -4.004  -3.951  -2.577
+  150TIP3    H1 6759  -4.023  -4.018  -2.645
+  150TIP3    H2 6760  -4.039  -3.993  -2.497
+  151TIP3   OH2 6761  -3.495  -4.147  -2.474
+  151TIP3    H1 6762  -3.517  -4.229  -2.522
+  151TIP3    H2 6763  -3.580  -4.100  -2.471
+  152TIP3   OH2 6764  -3.572  -2.404  -4.156
+  152TIP3    H1 6765  -3.493  -2.456  -4.176
+  152TIP3    H2 6766  -3.615  -2.392  -4.242
+  153TIP3   OH2 6767  -4.189  -3.010  -4.239
+  153TIP3    H1 6768  -4.105  -2.996  -4.191
+  153TIP3    H2 6769  -4.177  -3.099  -4.275
+  154TIP3   OH2 6770  -4.271  -2.690  -3.524
+  154TIP3    H1 6771  -4.276  -2.780  -3.486
+  154TIP3    H2 6772  -4.244  -2.640  -3.445
+  155TIP3   OH2 6773  -2.516  -2.567  -3.219
+  155TIP3    H1 6774  -2.499  -2.575  -3.124
+  155TIP3    H2 6775  -2.428  -2.544  -3.252
+  156TIP3   OH2 6776  -2.526  -2.628  -2.933
+  156TIP3    H1 6777  -2.578  -2.704  -2.966
+  156TIP3    H2 6778  -2.471  -2.673  -2.867
+  157TIP3   OH2 6779  -2.726  -3.085  -2.503
+  157TIP3    H1 6780  -2.814  -3.077  -2.462
+  157TIP3    H2 6781  -2.681  -3.005  -2.472
+  158TIP3   OH2 6782  -2.578  -3.217  -3.939
+  158TIP3    H1 6783  -2.495  -3.169  -3.922
+  158TIP3    H2 6784  -2.586  -3.268  -3.856
+  159TIP3   OH2 6785  -2.543  -3.399  -3.728
+  159TIP3    H1 6786  -2.606  -3.459  -3.684
+  159TIP3    H2 6787  -2.471  -3.388  -3.662
+  160TIP3   OH2 6788  -2.571  -3.150  -3.239
+  160TIP3    H1 6789  -2.503  -3.197  -3.289
+  160TIP3    H2 6790  -2.553  -3.057  -3.263
+  161TIP3   OH2 6791  -2.693  -2.853  -3.008
+  161TIP3    H1 6792  -2.767  -2.816  -2.956
+  161TIP3    H2 6793  -2.741  -2.892  -3.084
+  162TIP3   OH2 6794  -2.516  -3.435  -4.107
+  162TIP3    H1 6795  -2.569  -3.397  -4.178
+  162TIP3    H2 6796  -2.530  -3.366  -4.039
+  163TIP3   OH2 6797  -2.695  -3.696  -4.221
+  163TIP3    H1 6798  -2.656  -3.621  -4.270
+  163TIP3    H2 6799  -2.647  -3.770  -4.259
+  164TIP3   OH2 6800  -2.746  -3.585  -3.648
+  164TIP3    H1 6801  -2.754  -3.679  -3.668
+  164TIP3    H2 6802  -2.783  -3.579  -3.558
+  165TIP3   OH2 6803  -4.257  -3.336  -3.254
+  165TIP3    H1 6804  -4.222  -3.313  -3.341
+  165TIP3    H2 6805  -4.177  -3.377  -3.213
+  166TIP3   OH2 6806  -2.686  -3.393  -2.736
+  166TIP3    H1 6807  -2.613  -3.455  -2.718
+  166TIP3    H2 6808  -2.640  -3.310  -2.754
+  167TIP3   OH2 6809  -2.531  -3.583  -2.615
+  167TIP3    H1 6810  -2.610  -3.637  -2.637
+  167TIP3    H2 6811  -2.461  -3.651  -2.616
+  168TIP3   OH2 6812  -2.767  -4.028  -4.341
+  168TIP3    H1 6813  -2.708  -4.042  -4.266
+  168TIP3    H2 6814  -2.855  -4.045  -4.306
+  169TIP3   OH2 6815  -2.769  -3.826  -3.835
+  169TIP3    H1 6816  -2.749  -3.922  -3.827
+  169TIP3    H2 6817  -2.685  -3.793  -3.872
+  170TIP3   OH2 6818  -2.737  -3.772  -3.292
+  170TIP3    H1 6819  -2.640  -3.767  -3.293
+  170TIP3    H2 6820  -2.752  -3.776  -3.196
+  171TIP3   OH2 6821  -2.723  -3.706  -3.007
+  171TIP3    H1 6822  -2.807  -3.664  -2.980
+  171TIP3    H2 6823  -2.668  -3.629  -3.028
+  172TIP3   OH2 6824  -4.282  -3.838  -2.627
+  172TIP3    H1 6825  -4.199  -3.880  -2.654
+  172TIP3    H2 6826  -4.346  -3.911  -2.626
+  173TIP3   OH2 6827  -2.508  -4.278  -2.429
+  173TIP3    H1 6828  -2.453  -4.354  -2.450
+  173TIP3    H2 6829  -2.503  -4.218  -2.507
+  174TIP3   OH2 6830  -2.734  -4.097  -3.822
+  174TIP3    H1 6831  -2.707  -4.147  -3.744
+  174TIP3    H2 6832  -2.795  -4.160  -3.865
+  175TIP3   OH2 6833  -4.194  -3.988  -3.337
+  175TIP3    H1 6834  -4.162  -4.080  -3.330
+  175TIP3    H2 6835  -4.114  -3.937  -3.314
+  176TIP3   OH2 6836  -4.334  -3.727  -3.245
+  176TIP3    H1 6837  -4.294  -3.777  -3.318
+  176TIP3    H2 6838  -4.316  -3.636  -3.272
+  177TIP3   OH2 6839  -2.527  -4.111  -2.645
+  177TIP3    H1 6840  -2.612  -4.065  -2.636
+  177TIP3    H2 6841  -2.537  -4.147  -2.735
+  178TIP3   OH2 6842  -2.515  -4.072  -4.175
+  178TIP3    H1 6843  -2.488  -4.146  -4.231
+  178TIP3    H2 6844  -2.434  -4.019  -4.171
+  179TIP3   OH2 6845  -4.315  -4.105  -3.887
+  179TIP3    H1 6846  -4.398  -4.074  -3.926
+  179TIP3    H2 6847  -4.253  -4.038  -3.924
+  180TIP3   OH2 6848  -2.772  -2.560  -3.678
+  180TIP3    H1 6849  -2.696  -2.565  -3.612
+  180TIP3    H2 6850  -2.843  -2.523  -3.618
+  181TIP3   OH2 6851  -4.292  -4.164  -3.053
+  181TIP3    H1 6852  -4.351  -4.224  -3.002
+  181TIP3    H2 6853  -4.329  -4.166  -3.142
+  182TIP3   OH2 6854  -4.117  -2.863  -2.589
+  182TIP3    H1 6855  -4.171  -2.924  -2.640
+  182TIP3    H2 6856  -4.132  -2.896  -2.498
+  183TIP3   OH2 6857  -3.803  -2.798  -2.998
+  183TIP3    H1 6858  -3.834  -2.714  -3.035
+  183TIP3    H2 6859  -3.707  -2.789  -3.016
+  184TIP3   OH2 6860  -3.350  -2.670  -2.700
+  184TIP3    H1 6861  -3.339  -2.685  -2.604
+  184TIP3    H2 6862  -3.269  -2.621  -2.723
+  185TIP3   OH2 6863  -3.118  -2.523  -2.776
+  185TIP3    H1 6864  -3.050  -2.593  -2.788
+  185TIP3    H2 6865  -3.091  -2.486  -2.690
+  186TIP3   OH2 6866  -2.665  -4.275  -2.854
+  186TIP3    H1 6867  -2.716  -4.215  -2.911
+  186TIP3    H2 6868  -2.641  -4.343  -2.919
+  187TIP3   OH2 6869  -4.070  -2.492  -2.975
+  187TIP3    H1 6870  -4.139  -2.442  -3.022
+  187TIP3    H2 6871  -4.100  -2.483  -2.884
+  188TIP3   OH2 6872  -3.820  -2.526  -3.111
+  188TIP3    H1 6873  -3.905  -2.506  -3.068
+  188TIP3    H2 6874  -3.816  -2.459  -3.181
+  189TIP3   OH2 6875  -3.353  -2.400  -3.183
+  189TIP3    H1 6876  -3.395  -2.350  -3.166
+  189TIP3    H2 6877  -3.303  -2.439  -3.109
+  190TIP3   OH2 6878  -3.109  -2.650  -3.052
+  190TIP3    H1 6879  -3.181  -2.629  -3.114
+  190TIP3    H2 6880  -3.047  -2.578  -3.066
+  191TIP3   OH2 6881  -2.859  -2.480  -3.046
+  191TIP3    H1 6882  -2.858  -2.385  -3.068
+  191TIP3    H2 6883  -2.826  -2.519  -3.129
+  192TIP3   OH2 6884  -4.125  -2.616  -3.276
+  192TIP3    H1 6885  -4.135  -2.661  -3.190
+  192TIP3    H2 6886  -4.049  -2.664  -3.313
+  193TIP3   OH2 6887  -3.907  -2.746  -3.431
+  193TIP3    H1 6888  -3.926  -2.836  -3.398
+  193TIP3    H2 6889  -3.819  -2.728  -3.390
+  194TIP3   OH2 6890  -3.643  -2.718  -3.340
+  194TIP3    H1 6891  -3.616  -2.810  -3.352
+  194TIP3    H2 6892  -3.623  -2.702  -3.247
+  195TIP3   OH2 6893  -3.301  -4.112  -3.412
+  195TIP3    H1 6894  -3.362  -4.183  -3.383
+  195TIP3    H2 6895  -3.239  -4.162  -3.468
+  196TIP3   OH2 6896  -2.771  -4.329  -3.365
+  196TIP3    H1 6897  -2.712  -4.290  -3.430
+  196TIP3    H2 6898  -2.859  -4.305  -3.398
+  197TIP3   OH2 6899  -2.578  -4.223  -3.584
+  197TIP3    H1 6900  -2.522  -4.247  -3.658
+  197TIP3    H2 6901  -2.557  -4.129  -3.570
+  198TIP3   OH2 6902  -4.076  -4.279  -3.668
+  198TIP3    H1 6903  -4.158  -4.313  -3.705
+  198TIP3    H2 6904  -4.025  -4.359  -3.651
+  199TIP3   OH2 6905  -4.198  -4.290  -4.075
+  199TIP3    H1 6906  -4.164  -4.223  -4.138
+  199TIP3    H2 6907  -4.251  -4.234  -4.015
+  200TIP3   OH2 6908  -3.613  -4.222  -3.650
+  200TIP3    H1 6909  -3.520  -4.233  -3.671
+  200TIP3    H2 6910  -3.633  -4.296  -3.592
+  201TIP3   OH2 6911  -3.061  -4.264  -3.516
+  201TIP3    H1 6912  -3.026  -4.262  -3.606
+  201TIP3    H2 6913  -3.072  -4.359  -3.499
+  202TIP3   OH2 6914  -2.953  -4.271  -3.915
+  202TIP3    H1 6915  -3.027  -4.215  -3.944
+  202TIP3    H2 6916  -2.990  -4.360  -3.920
+  203TIP3   OH2 6917  -4.179  -2.688  -3.987
+  203TIP3    H1 6918  -4.260  -2.707  -4.034
+  203TIP3    H2 6919  -4.186  -2.593  -3.971
+  204TIP3   OH2 6920  -4.012  -4.111  -4.224
+  204TIP3    H1 6921  -3.957  -4.160  -4.287
+  204TIP3    H2 6922  -3.944  -4.063  -4.174
+  205TIP3   OH2 6923  -3.494  -4.057  -3.985
+  205TIP3    H1 6924  -3.482  -4.142  -3.938
+  205TIP3    H2 6925  -3.470  -3.991  -3.917
+  206TIP3   OH2 6926  -3.298  -2.530  -4.133
+  206TIP3    H1 6927  -3.205  -2.507  -4.147
+  206TIP3    H2 6928  -3.311  -2.596  -4.203
+  207TIP3   OH2 6929  -2.617  -2.611  -3.899
+  207TIP3    H1 6930  -2.654  -2.692  -3.937
+  207TIP3    H2 6931  -2.651  -2.541  -3.960
+  208TIP3   OH2 6932  -4.111  -4.176  -2.733
+  208TIP3    H1 6933  -4.159  -4.245  -2.683
+  208TIP3    H2 6934  -4.027  -4.224  -2.747
+  209TIP3   OH2 6935  -3.809  -4.278  -2.473
+  209TIP3    H1 6936  -3.722  -4.303  -2.512
+  209TIP3    H2 6937  -3.827  -4.355  -2.418
+  210TIP3   OH2 6938  -3.961  -2.583  -4.238
+  210TIP3    H1 6939  -4.021  -2.564  -4.165
+  210TIP3    H2 6940  -3.928  -2.671  -4.218
+  211TIP3   OH2 6941  -2.692  -2.734  -2.643
+  211TIP3    H1 6942  -2.768  -2.753  -2.701
+  211TIP3    H2 6943  -2.711  -2.641  -2.620
+  212TIP3   OH2 6944  -1.273  -3.367  -3.629
+  212TIP3    H1 6945  -1.276  -3.270  -3.616
+  212TIP3    H2 6946  -1.352  -3.381  -3.684
+  213TIP3   OH2 6947  -1.388  -3.423  -3.320
+  213TIP3    H1 6948  -1.391  -3.478  -3.241
+  213TIP3    H2 6949  -1.417  -3.485  -3.388
+  214TIP3   OH2 6950  -2.141  -3.464  -3.153
+  214TIP3    H1 6951  -2.144  -3.539  -3.091
+  214TIP3    H2 6952  -2.072  -3.410  -3.114
+  215TIP3   OH2 6953  -1.019  -3.150  -3.488
+  215TIP3    H1 6954  -1.059  -3.220  -3.435
+  215TIP3    H2 6955  -0.995  -3.086  -3.420
+  216TIP3   OH2 6956  -2.076  -2.999  -3.304
+  216TIP3    H1 6957  -2.100  -3.091  -3.329
+  216TIP3    H2 6958  -1.983  -3.012  -3.280
+  217TIP3   OH2 6959  -2.376  -3.662  -3.763
+  217TIP3    H1 6960  -2.414  -3.574  -3.752
+  217TIP3    H2 6961  -2.448  -3.709  -3.807
+  218TIP3   OH2 6962  -2.297  -3.415  -3.580
+  218TIP3    H1 6963  -2.281  -3.497  -3.530
+  218TIP3    H2 6964  -2.213  -3.403  -3.625
+  219TIP3   OH2 6965  -1.314  -2.612  -3.431
+  219TIP3    H1 6966  -1.257  -2.684  -3.463
+  219TIP3    H2 6967  -1.343  -2.645  -3.346
+  220TIP3   OH2 6968  -1.541  -3.171  -3.264
+  220TIP3    H1 6969  -1.508  -3.243  -3.321
+  220TIP3    H2 6970  -1.460  -3.156  -3.211
+  221TIP3   OH2 6971  -0.687  -4.013  -3.209
+  221TIP3    H1 6972  -0.651  -3.977  -3.126
+  221TIP3    H2 6973  -0.617  -3.988  -3.271
+  222TIP3   OH2 6974  -1.211  -3.740  -3.212
+  222TIP3    H1 6975  -1.193  -3.835  -3.210
+  222TIP3    H2 6976  -1.221  -3.725  -3.307
+  223TIP3   OH2 6977  -1.917  -3.941  -3.502
+  223TIP3    H1 6978  -1.899  -3.856  -3.548
+  223TIP3    H2 6979  -1.949  -3.995  -3.577
+  224TIP3   OH2 6980  -1.128  -3.922  -3.671
+  224TIP3    H1 6981  -1.068  -3.967  -3.607
+  224TIP3    H2 6982  -1.063  -3.878  -3.728
+  225TIP3   OH2 6983  -2.244  -3.662  -3.455
+  225TIP3    H1 6984  -2.184  -3.711  -3.396
+  225TIP3    H2 6985  -2.236  -3.713  -3.537
+  226TIP3   OH2 6986  -1.706  -3.525  -3.509
+  226TIP3    H1 6987  -1.636  -3.581  -3.469
+  226TIP3    H2 6988  -1.757  -3.592  -3.558
+  227TIP3   OH2 6989  -0.591  -3.845  -2.942
+  227TIP3    H1 6990  -0.670  -3.798  -2.974
+  227TIP3    H2 6991  -0.627  -3.892  -2.866
+  228TIP3   OH2 6992  -2.034  -4.056  -3.087
+  228TIP3    H1 6993  -2.069  -4.001  -3.159
+  228TIP3    H2 6994  -2.101  -4.037  -3.018
+  229TIP3   OH2 6995  -1.283  -3.081  -3.751
+  229TIP3    H1 6996  -1.314  -3.102  -3.840
+  229TIP3    H2 6997  -1.330  -2.998  -3.732
+  230TIP3   OH2 6998  -1.740  -3.269  -3.076
+  230TIP3    H1 6999  -1.814  -3.211  -3.050
+  230TIP3    H2 7000  -1.679  -3.207  -3.120
+  231TIP3   OH2 7001  -0.938  -4.012  -3.468
+  231TIP3    H1 7002  -0.985  -4.062  -3.400
+  231TIP3    H2 7003  -0.887  -3.950  -3.413
+  232TIP3   OH2 7004  -2.074  -3.855  -3.293
+  232TIP3    H1 7005  -2.010  -3.795  -3.249
+  232TIP3    H2 7006  -2.017  -3.890  -3.365
+  233TIP3   OH2 7007  -1.942  -3.083  -3.005
+  233TIP3    H1 7008  -1.945  -2.990  -3.034
+  233TIP3    H2 7009  -2.028  -3.089  -2.960
+  234TIP3   OH2 7010  -2.311  -3.113  -3.917
+  234TIP3    H1 7011  -2.327  -3.072  -4.004
+  234TIP3    H2 7012  -2.296  -3.036  -3.858
+  235TIP3   OH2 7013  -0.963  -2.968  -3.240
+  235TIP3    H1 7014  -1.060  -2.957  -3.235
+  235TIP3    H2 7015  -0.938  -2.881  -3.275
+  236TIP3   OH2 7016  -0.923  -4.108  -3.065
+  236TIP3    H1 7017  -1.004  -4.078  -3.109
+  236TIP3    H2 7018  -0.857  -4.097  -3.136
+  237TIP3   OH2 7019  -1.612   4.381  -3.363
+  237TIP3    H1 7020  -1.615   4.286  -3.353
+  237TIP3    H2 7021  -1.700   4.412  -3.332
+  238TIP3   OH2 7022  -1.135  -2.774  -3.581
+  238TIP3    H1 7023  -1.087  -2.852  -3.614
+  238TIP3    H2 7024  -1.068  -2.704  -3.593
+  239TIP3   OH2 7025  -0.988  -2.989  -3.721
+  239TIP3    H1 7026  -1.045  -3.031  -3.787
+  239TIP3    H2 7027  -0.995  -3.051  -3.646
+  240TIP3   OH2 7028  -0.833  -3.105  -2.871
+  240TIP3    H1 7029  -0.848  -3.170  -2.942
+  240TIP3    H2 7030  -0.826  -3.021  -2.920
+  241TIP3   OH2 7031  -1.407  -3.418  -3.906
+  241TIP3    H1 7032  -1.473  -3.354  -3.938
+  241TIP3    H2 7033  -1.335  -3.406  -3.970
+  242TIP3   OH2 7034  -1.388  -3.593  -4.208
+  242TIP3    H1 7035  -1.321  -3.563  -4.145
+  242TIP3    H2 7036  -1.334  -3.654  -4.263
+  243TIP3   OH2 7037  -0.651  -3.480  -3.087
+  243TIP3    H1 7038  -0.729  -3.422  -3.071
+  243TIP3    H2 7039  -0.621  -3.447  -3.173
+  244TIP3   OH2 7040  -1.058  -3.414  -3.794
+  244TIP3    H1 7041  -1.128  -3.392  -3.729
+  244TIP3    H2 7042  -1.001  -3.472  -3.741
+  245TIP3   OH2 7043  -1.073  -3.561  -2.910
+  245TIP3    H1 7044  -1.070  -3.480  -2.857
+  245TIP3    H2 7045  -1.140  -3.533  -2.976
+  246TIP3   OH2 7046  -1.899  -3.337  -3.615
+  246TIP3    H1 7047  -1.930  -3.380  -3.698
+  246TIP3    H2 7048  -1.834  -3.402  -3.582
+  247TIP3   OH2 7049  -1.762  -2.996  -3.342
+  247TIP3    H1 7050  -1.774  -3.036  -3.430
+  247TIP3    H2 7051  -1.683  -3.043  -3.309
+  248TIP3   OH2 7052  -1.839  -3.457  -3.267
+  248TIP3    H1 7053  -1.782  -3.453  -3.346
+  248TIP3    H2 7054  -1.801  -3.389  -3.208
+  249TIP3   OH2 7055  -1.242  -2.906  -3.209
+  249TIP3    H1 7056  -1.243  -2.838  -3.139
+  249TIP3    H2 7057  -1.269  -2.987  -3.162
+  250TIP3   OH2 7058  -1.756  -3.024  -2.784
+  250TIP3    H1 7059  -1.807  -2.958  -2.734
+  250TIP3    H2 7060  -1.821  -3.051  -2.852
+  251TIP3   OH2 7061  -1.149  -3.470  -4.056
+  251TIP3    H1 7062  -1.109  -3.443  -3.971
+  251TIP3    H2 7063  -1.092  -3.424  -4.120
+  252TIP3   OH2 7064  -2.063  -3.384  -2.872
+  252TIP3    H1 7065  -2.058  -3.327  -2.793
+  252TIP3    H2 7066  -2.159  -3.398  -2.879
+  253TIP3   OH2 7067  -1.418  -2.810  -3.693
+  253TIP3    H1 7068  -1.369  -2.780  -3.616
+  253TIP3    H2 7069  -1.465  -2.730  -3.721
+  254TIP3   OH2 7070  -1.946  -2.806  -2.701
+  254TIP3    H1 7071  -1.958  -2.803  -2.798
+  254TIP3    H2 7072  -2.034  -2.833  -2.668
+  255TIP3   OH2 7073  -0.827  -4.339  -4.124
+  255TIP3    H1 7074  -0.878  -4.330  -4.042
+  255TIP3    H2 7075  -0.766  -4.265  -4.115
+  256TIP3   OH2 7076  -2.006  -3.462  -3.863
+  256TIP3    H1 7077  -2.030  -3.386  -3.919
+  256TIP3    H2 7078  -2.073  -3.527  -3.888
+  257TIP3   OH2 7079  -0.708  -2.885  -4.244
+  257TIP3    H1 7080  -0.684  -2.795  -4.217
+  257TIP3    H2 7081  -0.622  -2.931  -4.241
+  258TIP3   OH2 7082  -2.401  -3.196  -2.990
+  258TIP3    H1 7083  -2.445  -3.199  -3.077
+  258TIP3    H2 7084  -2.387  -3.291  -2.972
+  259TIP3   OH2 7085  -2.395  -2.904  -3.296
+  259TIP3    H1 7086  -2.303  -2.932  -3.292
+  259TIP3    H2 7087  -2.399  -2.844  -3.220
+  260TIP3   OH2 7088  -0.557  -2.842  -2.719
+  260TIP3    H1 7089  -0.568  -2.937  -2.737
+  260TIP3    H2 7090  -0.648  -2.818  -2.691
+  261TIP3   OH2 7091  -1.492  -2.919  -2.840
+  261TIP3    H1 7092  -1.485  -2.837  -2.787
+  261TIP3    H2 7093  -1.582  -2.950  -2.817
+  262TIP3   OH2 7094  -1.459  -2.539  -3.845
+  262TIP3    H1 7095  -1.465  -2.531  -3.942
+  262TIP3    H2 7096  -1.456  -2.447  -3.815
+  263TIP3   OH2 7097  -2.085  -2.623  -3.679
+  263TIP3    H1 7098  -2.067  -2.669  -3.594
+  263TIP3    H2 7099  -2.167  -2.667  -3.705
+  264TIP3   OH2 7100  -1.138  -2.562  -4.108
+  264TIP3    H1 7101  -1.101  -2.622  -4.177
+  264TIP3    H2 7102  -1.147  -2.624  -4.033
+  265TIP3   OH2 7103  -1.192  -2.659  -3.857
+  265TIP3    H1 7104  -1.285  -2.638  -3.838
+  265TIP3    H2 7105  -1.173  -2.725  -3.788
+  266TIP3   OH2 7106  -0.876  -3.707  -2.681
+  266TIP3    H1 7107  -0.930  -3.670  -2.752
+  266TIP3    H2 7108  -0.870  -3.801  -2.708
+  267TIP3   OH2 7109  -2.181  -3.041  -2.866
+  267TIP3    H1 7110  -2.155  -3.087  -2.784
+  267TIP3    H2 7111  -2.255  -3.096  -2.898
+  268TIP3   OH2 7112  -1.860  -4.219  -3.274
+  268TIP3    H1 7113  -1.943  -4.243  -3.319
+  268TIP3    H2 7114  -1.887  -4.136  -3.231
+  269TIP3   OH2 7115  -1.406  -4.260  -2.915
+  269TIP3    H1 7116  -1.385  -4.311  -2.836
+  269TIP3    H2 7117  -1.500  -4.278  -2.926
+  270TIP3   OH2 7118  -1.107  -3.862  -2.873
+  270TIP3    H1 7119  -1.166  -3.875  -2.797
+  270TIP3    H2 7120  -1.115  -3.767  -2.891
+  271TIP3   OH2 7121  -0.917  -3.391  -4.256
+  271TIP3    H1 7122  -0.978  -3.405  -4.330
+  271TIP3    H2 7123  -0.901  -3.296  -4.267
+  272TIP3   OH2 7124  -1.441  -3.999  -4.217
+  272TIP3    H1 7125  -1.496  -3.994  -4.136
+  272TIP3    H2 7126  -1.492  -4.066  -4.265
+  273TIP3   OH2 7127  -1.877  -3.716  -3.148
+  273TIP3    H1 7128  -1.935  -3.703  -3.071
+  273TIP3    H2 7129  -1.869  -3.624  -3.183
+  274TIP3   OH2 7130  -1.882  -3.708  -3.659
+  274TIP3    H1 7131  -1.977  -3.719  -3.675
+  274TIP3    H2 7132  -1.847  -3.727  -3.749
+  275TIP3   OH2 7133  -1.313  -3.653  -3.786
+  275TIP3    H1 7134  -1.355  -3.571  -3.818
+  275TIP3    H2 7135  -1.251  -3.673  -3.857
+  276TIP3   OH2 7136  -1.401  -3.632  -2.649
+  276TIP3    H1 7137  -1.453  -3.706  -2.611
+  276TIP3    H2 7138  -1.315  -3.644  -2.605
+  277TIP3   OH2 7139  -1.234  -3.711  -3.505
+  277TIP3    H1 7140  -1.263  -3.654  -3.579
+  277TIP3    H2 7141  -1.214  -3.793  -3.555
+  278TIP3   OH2 7142  -2.140  -3.697  -2.966
+  278TIP3    H1 7143  -2.113  -3.669  -2.877
+  278TIP3    H2 7144  -2.179  -3.784  -2.946
+  279TIP3   OH2 7145  -1.769  -3.959  -4.317
+  279TIP3    H1 7146  -1.799  -3.987  -4.228
+  279TIP3    H2 7147  -1.845  -3.905  -4.346
+  280TIP3   OH2 7148  -2.460  -3.956  -3.602
+  280TIP3    H1 7149  -2.403  -3.956  -3.523
+  280TIP3    H2 7150  -2.404  -3.994  -3.670
+  281TIP3   OH2 7151  -2.303  -3.911  -4.038
+  281TIP3    H1 7152  -2.246  -3.862  -4.100
+  281TIP3    H2 7153  -2.369  -3.842  -4.016
+  282TIP3   OH2 7154  -1.324  -3.543  -3.057
+  282TIP3    H1 7155  -1.282  -3.617  -3.108
+  282TIP3    H2 7156  -1.360  -3.591  -2.981
+  283TIP3   OH2 7157  -1.605  -3.941  -3.560
+  283TIP3    H1 7158  -1.698  -3.959  -3.539
+  283TIP3    H2 7159  -1.561  -3.973  -3.479
+  284TIP3   OH2 7160  -2.147  -3.828  -3.690
+  284TIP3    H1 7161  -2.229  -3.800  -3.735
+  284TIP3    H2 7162  -2.120  -3.909  -3.737
+  285TIP3   OH2 7163  -1.788  -3.785  -3.921
+  285TIP3    H1 7164  -1.691  -3.783  -3.917
+  285TIP3    H2 7165  -1.811  -3.729  -3.997
+  286TIP3   OH2 7166  -1.171  -4.032  -3.256
+  286TIP3    H1 7167  -1.234  -4.035  -3.181
+  286TIP3    H2 7168  -1.228  -4.064  -3.327
+  287TIP3   OH2 7169  -1.926  -3.676  -4.157
+  287TIP3    H1 7170  -1.992  -3.721  -4.213
+  287TIP3    H2 7171  -1.856  -3.653  -4.220
+  288TIP3   OH2 7172  -0.864  -2.456  -2.587
+  288TIP3    H1 7173  -0.846  -2.411  -2.672
+  288TIP3    H2 7174  -0.790  -2.426  -2.533
+  289TIP3   OH2 7175  -2.074  -3.194  -2.647
+  289TIP3    H1 7176  -2.007  -3.186  -2.576
+  289TIP3    H2 7177  -2.155  -3.197  -2.591
+  290TIP3   OH2 7178  -1.502  -3.693  -3.373
+  290TIP3    H1 7179  -1.432  -3.739  -3.422
+  290TIP3    H2 7180  -1.521  -3.756  -3.301
+  291TIP3   OH2 7181  -1.988  -4.066  -3.757
+  291TIP3    H1 7182  -2.034  -4.151  -3.743
+  291TIP3    H2 7183  -1.901  -4.095  -3.788
+  292TIP3   OH2 7184  -1.606  -3.848  -3.150
+  292TIP3    H1 7185  -1.683  -3.788  -3.148
+  292TIP3    H2 7186  -1.557  -3.822  -3.069
+  293TIP3   OH2 7187  -1.591  -3.212  -3.960
+  293TIP3    H1 7188  -1.669  -3.260  -3.994
+  293TIP3    H2 7189  -1.611  -3.205  -3.864
+  294TIP3   OH2 7190  -0.868  -3.296  -3.088
+  294TIP3    H1 7191  -0.821  -3.240  -3.153
+  294TIP3    H2 7192  -0.955  -3.307  -3.131
+  295TIP3   OH2 7193  -1.171  -3.929  -4.187
+  295TIP3    H1 7194  -1.268  -3.937  -4.188
+  295TIP3    H2 7195  -1.153  -3.856  -4.126
+  296TIP3   OH2 7196  -1.426  -3.208  -2.829
+  296TIP3    H1 7197  -1.458  -3.241  -2.743
+  296TIP3    H2 7198  -1.459  -3.116  -2.828
+  297TIP3   OH2 7199  -1.115  -3.749  -3.988
+  297TIP3    H1 7200  -1.029  -3.765  -3.945
+  297TIP3    H2 7201  -1.102  -3.661  -4.029
+  298TIP3   OH2 7202  -2.078  -3.270  -3.378
+  298TIP3    H1 7203  -2.022  -3.282  -3.457
+  298TIP3    H2 7204  -2.068  -3.356  -3.334
+  299TIP3   OH2 7205  -1.343  -3.076  -4.064
+  299TIP3    H1 7206  -1.374  -2.987  -4.038
+  299TIP3    H2 7207  -1.423  -3.128  -4.047
+  300TIP3   OH2 7208  -2.353  -3.443  -2.852
+  300TIP3    H1 7209  -2.336  -3.487  -2.766
+  300TIP3    H2 7210  -2.412  -3.506  -2.897
+  301TIP3   OH2 7211  -1.655  -3.491  -2.654
+  301TIP3    H1 7212  -1.690  -3.518  -2.741
+  301TIP3    H2 7213  -1.562  -3.520  -2.662
+  302TIP3   OH2 7214  -1.201  -2.948  -2.881
+  302TIP3    H1 7215  -1.298  -2.941  -2.888
+  302TIP3    H2 7216  -1.186  -2.924  -2.788
+  303TIP3   OH2 7217  -0.640  -3.735  -3.998
+  303TIP3    H1 7218  -0.704  -3.760  -4.068
+  303TIP3    H2 7219  -0.635  -3.640  -4.018
+  304TIP3   OH2 7220  -0.603  -3.140  -2.723
+  304TIP3    H1 7221  -0.696  -3.119  -2.743
+  304TIP3    H2 7222  -0.568  -3.158  -2.812
+  305TIP3   OH2 7223  -0.817  -2.882  -3.987
+  305TIP3    H1 7224  -0.852  -2.959  -3.941
+  305TIP3    H2 7225  -0.791  -2.917  -4.074
+  306TIP3   OH2 7226  -1.103  -3.351  -3.257
+  306TIP3    H1 7227  -1.197  -3.366  -3.280
+  306TIP3    H2 7228  -1.061  -3.423  -3.306
+  307TIP3   OH2 7229  -1.840  -2.942  -3.653
+  307TIP3    H1 7230  -1.799  -2.855  -3.665
+  307TIP3    H2 7231  -1.932  -2.924  -3.676
+  308TIP3   OH2 7232  -2.234  -3.451  -4.198
+  308TIP3    H1 7233  -2.178  -3.385  -4.154
+  308TIP3    H2 7234  -2.323  -3.427  -4.166
+  309TIP3   OH2 7235  -1.657  -3.173  -3.690
+  309TIP3    H1 7236  -1.687  -3.082  -3.676
+  309TIP3    H2 7237  -1.728  -3.223  -3.647
+  310TIP3   OH2 7238  -1.641  -2.747  -3.055
+  310TIP3    H1 7239  -1.585  -2.672  -3.082
+  310TIP3    H2 7240  -1.580  -2.796  -2.998
+  311TIP3   OH2 7241  -1.796  -2.653  -3.730
+  311TIP3    H1 7242  -1.892  -2.638  -3.726
+  311TIP3    H2 7243  -1.762  -2.564  -3.708
+  312TIP3   OH2 7244  -1.300  -3.172  -3.098
+  312TIP3    H1 7245  -1.330  -3.199  -3.009
+  312TIP3    H2 7246  -1.227  -3.234  -3.114
+  313TIP3   OH2 7247  -1.086  -3.033  -4.199
+  313TIP3    H1 7248  -1.036  -3.079  -4.128
+  313TIP3    H2 7249  -1.176  -3.051  -4.168
+  314TIP3   OH2 7250  -1.004  -2.716  -2.860
+  314TIP3    H1 7251  -1.081  -2.761  -2.899
+  314TIP3    H2 7252  -0.997  -2.635  -2.915
+  315TIP3   OH2 7253  -0.594  -2.593  -4.153
+  315TIP3    H1 7254  -0.525  -2.525  -4.139
+  315TIP3    H2 7255  -0.676  -2.541  -4.137
+  316TIP3   OH2 7256  -2.219  -3.961  -2.894
+  316TIP3    H1 7257  -2.310  -3.944  -2.925
+  316TIP3    H2 7258  -2.234  -4.047  -2.848
+  317TIP3   OH2 7259  -0.983  -3.185  -3.973
+  317TIP3    H1 7260  -1.014  -3.251  -3.908
+  317TIP3    H2 7261  -0.887  -3.187  -3.958
+  318TIP3   OH2 7262  -2.244  -2.803  -3.051
+  318TIP3    H1 7263  -2.215  -2.894  -3.033
+  318TIP3    H2 7264  -2.224  -2.762  -2.966
+  319TIP3   OH2 7265  -1.627  -2.951  -4.328
+  319TIP3    H1 7266  -1.597  -3.041  -4.351
+  319TIP3    H2 7267  -1.685  -2.970  -4.252
+  320TIP3   OH2 7268  -1.779  -2.986  -4.076
+  320TIP3    H1 7269  -1.726  -3.036  -4.013
+  320TIP3    H2 7270  -1.759  -2.893  -4.050
+  321TIP3   OH2 7271  -2.091  -3.248  -4.033
+  321TIP3    H1 7272  -2.167  -3.206  -3.988
+  321TIP3    H2 7273  -2.047  -3.170  -4.071
+  322TIP3   OH2 7274  -1.330  -4.008  -3.026
+  322TIP3    H1 7275  -1.267  -3.982  -2.957
+  322TIP3    H2 7276  -1.366  -4.092  -2.992
+  323TIP3   OH2 7277  -1.253  -4.049  -3.922
+  323TIP3    H1 7278  -1.232  -3.991  -3.997
+  323TIP3    H2 7279  -1.214  -4.000  -3.847
+  324TIP3   OH2 7280  -1.482  -2.826  -4.025
+  324TIP3    H1 7281  -1.563  -2.776  -4.005
+  324TIP3    H2 7282  -1.434  -2.762  -4.080
+  325TIP3   OH2 7283  -1.518  -3.849  -3.812
+  325TIP3    H1 7284  -1.442  -3.790  -3.798
+  325TIP3    H2 7285  -1.548  -3.866  -3.721
+  326TIP3   OH2 7286  -1.481  -3.759  -2.901
+  326TIP3    H1 7287  -1.475  -3.710  -2.817
+  326TIP3    H2 7288  -1.428  -3.837  -2.882
+  327TIP3   OH2 7289  -1.442  -4.171  -3.714
+  327TIP3    H1 7290  -1.475  -4.096  -3.662
+  327TIP3    H2 7291  -1.389  -4.126  -3.782
+  328TIP3   OH2 7292  -1.756  -2.709  -4.023
+  328TIP3    H1 7293  -1.765  -2.625  -4.074
+  328TIP3    H2 7294  -1.776  -2.679  -3.933
+  329TIP3   OH2 7295  -1.889  -4.043  -4.075
+  329TIP3    H1 7296  -1.894  -3.966  -4.015
+  329TIP3    H2 7297  -1.806  -4.084  -4.044
+  330TIP3   OH2 7298  -0.845  -3.962  -2.819
+  330TIP3    H1 7299  -0.942  -3.952  -2.827
+  330TIP3    H2 7300  -0.826  -3.992  -2.909
+  331TIP3   OH2 7301  -1.002  -3.574  -3.413
+  331TIP3    H1 7302  -1.085  -3.619  -3.437
+  331TIP3    H2 7303  -0.954  -3.645  -3.364
+  332TIP3   OH2 7304  -2.056  -2.950  -4.155
+  332TIP3    H1 7305  -1.971  -2.924  -4.115
+  332TIP3    H2 7306  -2.025  -2.995  -4.235
+  333TIP3   OH2 7307  -2.228  -3.734  -4.251
+  333TIP3    H1 7308  -2.214  -3.638  -4.238
+  333TIP3    H2 7309  -2.317  -3.734  -4.290
+  334TIP3   OH2 7310  -0.901  -2.690  -3.270
+  334TIP3    H1 7311  -0.920  -2.609  -3.320
+  334TIP3    H2 7312  -0.808  -2.673  -3.245
+  335TIP3   OH2 7313  -2.221  -4.242  -3.353
+  335TIP3    H1 7314  -2.180  -4.244  -3.441
+  335TIP3    H2 7315  -2.201  -4.332  -3.325
+  336TIP3   OH2 7316  -2.250  -2.883  -3.743
+  336TIP3    H1 7317  -2.331  -2.834  -3.727
+  336TIP3    H2 7318  -2.214  -2.837  -3.820
+  337TIP3   OH2 7319  -2.311  -2.598  -2.630
+  337TIP3    H1 7320  -2.253  -2.625  -2.556
+  337TIP3    H2 7321  -2.350  -2.684  -2.656
+  338TIP3   OH2 7322  -1.839  -2.689  -2.451
+  338TIP3    H1 7323  -1.774  -2.756  -2.428
+  338TIP3    H2 7324  -1.865  -2.718  -2.541
+  339TIP3   OH2 7325  -1.418  -2.754  -4.326
+  339TIP3    H1 7326  -1.502  -2.805  -4.332
+  339TIP3    H2 7327  -1.355  -2.821  -4.356
+  340TIP3   OH2 7328  -1.192  -2.867  -2.594
+  340TIP3    H1 7329  -1.235  -2.946  -2.556
+  340TIP3    H2 7330  -1.127  -2.844  -2.526
+  341TIP3   OH2 7331  -1.057  -2.757  -4.278
+  341TIP3    H1 7332  -1.057  -2.851  -4.253
+  341TIP3    H2 7333  -0.991  -2.751  -4.347
+  342TIP3   OH2 7334  -2.315  -3.235  -2.517
+  342TIP3    H1 7335  -2.307  -3.326  -2.550
+  342TIP3    H2 7336  -2.393  -3.204  -2.568
+  343TIP3   OH2 7337  -1.899  -3.204  -4.308
+  343TIP3    H1 7338  -1.854  -3.244  -4.232
+  343TIP3    H2 7339  -1.828  -3.179  -4.370
+  344TIP3   OH2 7340  -1.651  -3.215  -2.583
+  344TIP3    H1 7341  -1.684  -3.183  -2.669
+  344TIP3    H2 7342  -1.645  -3.312  -2.597
+  345TIP3   OH2 7343  -1.335  -3.081   4.296
+  345TIP3    H1 7344  -1.346  -3.064   4.389
+  345TIP3    H2 7345  -1.342  -3.177   4.290
+  346TIP3   OH2 7346  -1.116  -3.255  -2.844
+  346TIP3    H1 7347  -1.039  -3.198  -2.862
+  346TIP3    H2 7348  -1.188  -3.190  -2.845
+  347TIP3   OH2 7349  -2.229  -3.522  -2.600
+  347TIP3    H1 7350  -2.155  -3.586  -2.598
+  347TIP3    H2 7351  -2.234  -3.499  -2.506
+  348TIP3   OH2 7352  -1.784  -3.384  -4.093
+  348TIP3    H1 7353  -1.848  -3.426  -4.033
+  348TIP3    H2 7354  -1.753  -3.461  -4.145
+  349TIP3   OH2 7355  -1.865  -3.609  -2.857
+  349TIP3    H1 7356  -1.918  -3.530  -2.836
+  349TIP3    H2 7357  -1.799  -3.572  -2.919
+  350TIP3   OH2 7358  -1.663  -3.571  -4.275
+  350TIP3    H1 7359  -1.664  -3.598  -4.368
+  350TIP3    H2 7360  -1.567  -3.581  -4.254
+  351TIP3   OH2 7361  -1.333  -3.338  -2.501
+  351TIP3    H1 7362  -1.243  -3.358  -2.530
+  351TIP3    H2 7363  -1.359  -3.421  -2.459
+  352TIP3   OH2 7364  -1.805  -3.879  -2.746
+  352TIP3    H1 7365  -1.797  -3.944  -2.817
+  352TIP3    H2 7366  -1.826  -3.798  -2.795
+  353TIP3   OH2 7367  -1.767  -4.037  -3.003
+  353TIP3    H1 7368  -1.714  -3.982  -3.065
+  353TIP3    H2 7369  -1.858  -4.027  -3.037
+  354TIP3   OH2 7370  -1.617  -3.487  -2.957
+  354TIP3    H1 7371  -1.533  -3.495  -3.005
+  354TIP3    H2 7372  -1.648  -3.400  -2.987
+  355TIP3   OH2 7373  -1.159  -3.693  -2.481
+  355TIP3    H1 7374  -1.141  -3.786  -2.460
+  355TIP3    H2 7375  -1.069  -3.656  -2.482
+  356TIP3   OH2 7376  -1.061  -3.414  -2.629
+  356TIP3    H1 7377  -1.096  -3.354  -2.698
+  356TIP3    H2 7378  -0.972  -3.431  -2.667
+  357TIP3   OH2 7379  -1.983  -3.696  -2.563
+  357TIP3    H1 7380  -2.036  -3.777  -2.561
+  357TIP3    H2 7381  -1.903  -3.726  -2.607
+  358TIP3   OH2 7382  -1.718  -4.278  -2.882
+  358TIP3    H1 7383  -1.707  -4.187  -2.916
+  358TIP3    H2 7384  -1.811  -4.292  -2.903
+  359TIP3   OH2 7385  -1.571  -3.843  -2.586
+  359TIP3    H1 7386  -1.602  -3.871  -2.497
+  359TIP3    H2 7387  -1.652  -3.863  -2.637
+  360TIP3   OH2 7388  -1.312  -3.944  -2.687
+  360TIP3    H1 7389  -1.401  -3.931  -2.650
+  360TIP3    H2 7390  -1.275  -4.010  -2.625
+  361TIP3   OH2 7391  -1.138  -4.136  -2.518
+  361TIP3    H1 7392  -1.155  -4.224  -2.481
+  361TIP3    H2 7393  -1.154  -4.077  -2.443
+  362TIP3   OH2 7394  -2.106  -3.959  -2.575
+  362TIP3    H1 7395  -2.131  -4.021  -2.646
+  362TIP3    H2 7396  -2.148  -3.998  -2.497
+  363TIP3   OH2 7397  -1.608  -4.145  -2.476
+  363TIP3    H1 7398  -1.631  -4.228  -2.522
+  363TIP3    H2 7399  -1.694  -4.100  -2.469
+  364TIP3   OH2 7400  -1.707  -2.452  -4.167
+  364TIP3    H1 7401  -1.610  -2.448  -4.166
+  364TIP3    H2 7402  -1.732  -2.400  -4.246
+  365TIP3   OH2 7403  -2.316  -3.060  -4.194
+  365TIP3    H1 7404  -2.229  -3.015  -4.196
+  365TIP3    H2 7405  -2.316  -3.107  -4.279
+  366TIP3   OH2 7406  -2.425  -2.498  -3.716
+  366TIP3    H1 7407  -2.496  -2.535  -3.771
+  366TIP3    H2 7408  -2.413  -2.568  -3.649
+  367TIP3   OH2 7409  -2.385  -2.697  -3.520
+  367TIP3    H1 7410  -2.413  -2.786  -3.490
+  367TIP3    H2 7411  -2.349  -2.664  -3.436
+  368TIP3   OH2 7412  -0.629  -2.574  -3.219
+  368TIP3    H1 7413  -0.614  -2.573  -3.124
+  368TIP3    H2 7414  -0.545  -2.542  -3.252
+  369TIP3   OH2 7415  -0.640  -2.628  -2.932
+  369TIP3    H1 7416  -0.692  -2.703  -2.967
+  369TIP3    H2 7417  -0.585  -2.674  -2.867
+  370TIP3   OH2 7418  -0.839  -3.085  -2.502
+  370TIP3    H1 7419  -0.928  -3.078  -2.463
+  370TIP3    H2 7420  -0.795  -3.004  -2.471
+  371TIP3   OH2 7421  -0.697  -3.211  -3.927
+  371TIP3    H1 7422  -0.609  -3.170  -3.914
+  371TIP3    H2 7423  -0.703  -3.267  -3.848
+  372TIP3   OH2 7424  -0.627  -3.407  -3.702
+  372TIP3    H1 7425  -0.709  -3.454  -3.679
+  372TIP3    H2 7426  -0.577  -3.409  -3.619
+  373TIP3   OH2 7427  -0.673  -3.157  -3.233
+  373TIP3    H1 7428  -0.612  -3.197  -3.297
+  373TIP3    H2 7429  -0.672  -3.064  -3.260
+  374TIP3   OH2 7430  -0.811  -2.858  -3.009
+  374TIP3    H1 7431  -0.883  -2.816  -2.960
+  374TIP3    H2 7432  -0.858  -2.892  -3.088
+  375TIP3   OH2 7433  -0.624  -3.431  -4.113
+  375TIP3    H1 7434  -0.697  -3.408  -4.173
+  375TIP3    H2 7435  -0.640  -3.366  -4.043
+  376TIP3   OH2 7436  -0.804  -3.697  -4.215
+  376TIP3    H1 7437  -0.780  -3.625  -4.276
+  376TIP3    H2 7438  -0.771  -3.774  -4.261
+  377TIP3   OH2 7439  -0.851  -3.578  -3.651
+  377TIP3    H1 7440  -0.861  -3.672  -3.672
+  377TIP3    H2 7441  -0.894  -3.572  -3.563
+  378TIP3   OH2 7442  -2.376  -3.363  -3.280
+  378TIP3    H1 7443  -2.351  -3.359  -3.374
+  378TIP3    H2 7444  -2.290  -3.386  -3.239
+  379TIP3   OH2 7445  -0.800  -3.393  -2.738
+  379TIP3    H1 7446  -0.727  -3.455  -2.719
+  379TIP3    H2 7447  -0.753  -3.310  -2.753
+  380TIP3   OH2 7448  -0.644  -3.583  -2.614
+  380TIP3    H1 7449  -0.724  -3.636  -2.638
+  380TIP3    H2 7450  -0.575  -3.652  -2.616
+  381TIP3   OH2 7451  -0.886  -4.020  -4.340
+  381TIP3    H1 7452  -0.827  -4.045  -4.267
+  381TIP3    H2 7453  -0.974  -4.048  -4.310
+  382TIP3   OH2 7454  -0.882  -3.823  -3.833
+  382TIP3    H1 7455  -0.864  -3.920  -3.825
+  382TIP3    H2 7456  -0.797  -3.793  -3.871
+  383TIP3   OH2 7457  -0.851  -3.770  -3.292
+  383TIP3    H1 7458  -0.753  -3.772  -3.292
+  383TIP3    H2 7459  -0.867  -3.777  -3.196
+  384TIP3   OH2 7460  -0.836  -3.704  -3.007
+  384TIP3    H1 7461  -0.921  -3.665  -2.980
+  384TIP3    H2 7462  -0.784  -3.626  -3.028
+  385TIP3   OH2 7463  -2.392  -3.836  -2.629
+  385TIP3    H1 7464  -2.299  -3.858  -2.643
+  385TIP3    H2 7465  -2.434  -3.923  -2.630
+  386TIP3   OH2 7466  -0.619  -4.275  -2.428
+  386TIP3    H1 7467  -0.573  -4.356  -2.451
+  386TIP3    H2 7468  -0.618  -4.218  -2.508
+  387TIP3   OH2 7469  -0.850  -4.095  -3.822
+  387TIP3    H1 7470  -0.821  -4.148  -3.746
+  387TIP3    H2 7471  -0.910  -4.157  -3.866
+  388TIP3   OH2 7472  -2.316  -3.990  -3.360
+  388TIP3    H1 7473  -2.285  -4.082  -3.350
+  388TIP3    H2 7474  -2.241  -3.940  -3.322
+  389TIP3   OH2 7475  -2.456  -3.727  -3.258
+  389TIP3    H1 7476  -2.395  -3.733  -3.333
+  389TIP3    H2 7477  -2.417  -3.654  -3.208
+  390TIP3   OH2 7478  -0.642  -4.111  -2.645
+  390TIP3    H1 7479  -0.727  -4.065  -2.638
+  390TIP3    H2 7480  -0.652  -4.148  -2.735
+  391TIP3   OH2 7481  -0.631  -4.073  -4.174
+  391TIP3    H1 7482  -0.605  -4.145  -4.233
+  391TIP3    H2 7483  -0.548  -4.022  -4.166
+  392TIP3   OH2 7484  -2.400  -4.101  -3.853
+  392TIP3    H1 7485  -2.495  -4.095  -3.872
+  392TIP3    H2 7486  -2.362  -4.033  -3.912
+  393TIP3   OH2 7487  -0.943  -2.572  -3.641
+  393TIP3    H1 7488  -0.895  -2.595  -3.722
+  393TIP3    H2 7489  -0.874  -2.530  -3.587
+  394TIP3   OH2 7490  -2.424  -4.127  -3.000
+  394TIP3    H1 7491  -2.425  -4.220  -2.972
+  394TIP3    H2 7492  -2.443  -4.136  -3.095
+  395TIP3   OH2 7493  -2.201  -2.895  -2.568
+  395TIP3    H1 7494  -2.275  -2.898  -2.630
+  395TIP3    H2 7495  -2.245  -2.903  -2.482
+  396TIP3   OH2 7496  -1.917  -2.799  -3.000
+  396TIP3    H1 7497  -1.948  -2.713  -3.034
+  396TIP3    H2 7498  -1.821  -2.789  -3.017
+  397TIP3   OH2 7499  -1.466  -2.668  -2.699
+  397TIP3    H1 7500  -1.453  -2.684  -2.604
+  397TIP3    H2 7501  -1.383  -2.623  -2.723
+  398TIP3   OH2 7502  -1.236  -2.521  -2.774
+  398TIP3    H1 7503  -1.169  -2.587  -2.796
+  398TIP3    H2 7504  -1.207  -2.492  -2.685
+  399TIP3   OH2 7505  -0.778  -4.275  -2.854
+  399TIP3    H1 7506  -0.831  -4.216  -2.911
+  399TIP3    H2 7507  -0.757  -4.344  -2.918
+  400TIP3   OH2 7508  -2.180  -2.503  -2.967
+  400TIP3    H1 7509  -2.240  -2.439  -3.010
+  400TIP3    H2 7510  -2.211  -2.499  -2.876
+  401TIP3   OH2 7511  -1.930  -2.525  -3.111
+  401TIP3    H1 7512  -2.016  -2.507  -3.067
+  401TIP3    H2 7513  -1.927  -2.456  -3.179
+  402TIP3   OH2 7514  -1.455  -2.526  -3.155
+  402TIP3    H1 7515  -1.494  -2.481  -3.233
+  402TIP3    H2 7516  -1.448  -2.451  -3.092
+  403TIP3   OH2 7517  -1.222  -2.654  -3.063
+  403TIP3    H1 7518  -1.307  -2.618  -3.096
+  403TIP3    H2 7519  -1.167  -2.575  -3.065
+  404TIP3   OH2 7520  -0.968  -2.481  -3.044
+  404TIP3    H1 7521  -0.974  -2.386  -3.066
+  404TIP3    H2 7522  -0.942  -2.517  -3.131
+  405TIP3   OH2 7523  -2.222  -2.623  -3.272
+  405TIP3    H1 7524  -2.224  -2.672  -3.187
+  405TIP3    H2 7525  -2.146  -2.667  -3.316
+  406TIP3   OH2 7526  -2.020  -2.747  -3.427
+  406TIP3    H1 7527  -2.036  -2.840  -3.402
+  406TIP3    H2 7528  -1.929  -2.733  -3.396
+  407TIP3   OH2 7529  -1.743  -2.701  -3.339
+  407TIP3    H1 7530  -1.725  -2.794  -3.362
+  407TIP3    H2 7531  -1.737  -2.705  -3.243
+  408TIP3   OH2 7532  -1.415  -4.112  -3.412
+  408TIP3    H1 7533  -1.477  -4.182  -3.383
+  408TIP3    H2 7534  -1.354  -4.162  -3.469
+  409TIP3   OH2 7535  -0.885  -4.327  -3.363
+  409TIP3    H1 7536  -0.826  -4.290  -3.431
+  409TIP3    H2 7537  -0.973  -4.307  -3.398
+  410TIP3   OH2 7538  -0.691  -4.224  -3.583
+  410TIP3    H1 7539  -0.637  -4.248  -3.659
+  410TIP3    H2 7540  -0.672  -4.129  -3.572
+  411TIP3   OH2 7541  -2.179  -4.282  -3.678
+  411TIP3    H1 7542  -2.270  -4.306  -3.699
+  411TIP3    H2 7543  -2.143  -4.364  -3.642
+  412TIP3   OH2 7544  -2.318  -4.282  -4.068
+  412TIP3    H1 7545  -2.266  -4.231  -4.134
+  412TIP3    H2 7546  -2.352  -4.211  -4.011
+  413TIP3   OH2 7547  -1.729  -4.226  -3.652
+  413TIP3    H1 7548  -1.635  -4.235  -3.672
+  413TIP3    H2 7549  -1.743  -4.293  -3.584
+  414TIP3   OH2 7550  -1.172  -4.264  -3.516
+  414TIP3    H1 7551  -1.141  -4.263  -3.607
+  414TIP3    H2 7552  -1.188  -4.358  -3.499
+  415TIP3   OH2 7553  -1.067  -4.270  -3.915
+  415TIP3    H1 7554  -1.141  -4.215  -3.946
+  415TIP3    H2 7555  -1.104  -4.360  -3.919
+  416TIP3   OH2 7556  -2.295  -2.699  -3.960
+  416TIP3    H1 7557  -2.361  -2.698  -4.031
+  416TIP3    H2 7558  -2.282  -2.605  -3.946
+  417TIP3   OH2 7559  -2.128  -4.125  -4.223
+  417TIP3    H1 7560  -2.066  -4.163  -4.286
+  417TIP3    H2 7561  -2.070  -4.063  -4.176
+  418TIP3   OH2 7562  -1.607  -4.057  -3.985
+  418TIP3    H1 7563  -1.597  -4.142  -3.937
+  418TIP3    H2 7564  -1.585  -3.991  -3.917
+  419TIP3   OH2 7565  -1.414  -2.530  -4.147
+  419TIP3    H1 7566  -1.317  -2.518  -4.145
+  419TIP3    H2 7567  -1.422  -2.593  -4.221
+  420TIP3   OH2 7568  -0.749  -2.614  -3.880
+  420TIP3    H1 7569  -0.778  -2.697  -3.924
+  420TIP3    H2 7570  -0.771  -2.547  -3.948
+  421TIP3   OH2 7571  -2.216  -4.178  -2.732
+  421TIP3    H1 7572  -2.262  -4.257  -2.699
+  421TIP3    H2 7573  -2.128  -4.217  -2.744
+  422TIP3   OH2 7574  -1.923  -4.279  -2.467
+  422TIP3    H1 7575  -1.836  -4.305  -2.505
+  422TIP3    H2 7576  -1.946  -4.357  -2.416
+  423TIP3   OH2 7577  -2.050  -2.563  -4.195
+  423TIP3    H1 7578  -2.146  -2.565  -4.182
+  423TIP3    H2 7579  -2.033  -2.647  -4.239
+  424TIP3   OH2 7580  -0.809  -2.734  -2.641
+  424TIP3    H1 7581  -0.883  -2.754  -2.702
+  424TIP3    H2 7582  -0.827  -2.641  -2.620
+  425TIP3   OH2 7583   0.614  -3.366  -3.629
+  425TIP3    H1 7584   0.611  -3.270  -3.617
+  425TIP3    H2 7585   0.535  -3.381  -3.683
+  426TIP3   OH2 7586   0.496  -3.421  -3.320
+  426TIP3    H1 7587   0.497  -3.475  -3.240
+  426TIP3    H2 7588   0.462  -3.487  -3.384
+  427TIP3   OH2 7589  -0.249  -3.452  -3.171
+  427TIP3    H1 7590  -0.261  -3.526  -3.108
+  427TIP3    H2 7591  -0.188  -3.397  -3.119
+  428TIP3   OH2 7592   0.864  -3.148  -3.488
+  428TIP3    H1 7593   0.827  -3.220  -3.435
+  428TIP3    H2 7594   0.894  -3.087  -3.418
+  429TIP3   OH2 7595  -0.185  -3.014  -3.318
+  429TIP3    H1 7596  -0.213  -3.106  -3.323
+  429TIP3    H2 7597  -0.094  -3.023  -3.284
+  430TIP3   OH2 7598  -0.498  -3.658  -3.741
+  430TIP3    H1 7599  -0.535  -3.570  -3.756
+  430TIP3    H2 7600  -0.554  -3.713  -3.797
+  431TIP3   OH2 7601   0.569  -2.613  -3.431
+  431TIP3    H1 7602   0.628  -2.684  -3.463
+  431TIP3    H2 7603   0.544  -2.646  -3.344
+  432TIP3   OH2 7604   0.345  -3.171  -3.263
+  432TIP3    H1 7605   0.377  -3.243  -3.319
+  432TIP3    H2 7606   0.426  -3.155  -3.211
+  433TIP3   OH2 7607   1.202  -4.017  -3.207
+  433TIP3    H1 7608   1.234  -3.972  -3.127
+  433TIP3    H2 7609   1.267  -3.986  -3.273
+  434TIP3   OH2 7610   0.675  -3.739  -3.212
+  434TIP3    H1 7611   0.692  -3.835  -3.210
+  434TIP3    H2 7612   0.660  -3.724  -3.306
+  435TIP3   OH2 7613   0.757  -3.922  -3.672
+  435TIP3    H1 7614   0.815  -3.968  -3.607
+  435TIP3    H2 7615   0.823  -3.878  -3.727
+  436TIP3   OH2 7616  -0.347  -3.615  -3.457
+  436TIP3    H1 7617  -0.293  -3.684  -3.415
+  436TIP3    H2 7618  -0.361  -3.656  -3.545
+  437TIP3   OH2 7619   1.295  -3.848  -2.941
+  437TIP3    H1 7620   1.219  -3.797  -2.975
+  437TIP3    H2 7621   1.256  -3.891  -2.864
+  438TIP3   OH2 7622  -0.148  -4.049  -3.096
+  438TIP3    H1 7623  -0.177  -3.991  -3.169
+  438TIP3    H2 7624  -0.216  -4.028  -3.028
+  439TIP3   OH2 7625   0.599  -3.083  -3.749
+  439TIP3    H1 7626   0.571  -3.104  -3.838
+  439TIP3    H2 7627   0.557  -2.997  -3.733
+  440TIP3   OH2 7628   0.145  -3.270  -3.073
+  440TIP3    H1 7629   0.071  -3.210  -3.054
+  440TIP3    H2 7630   0.208  -3.212  -3.120
+  441TIP3   OH2 7631   0.952  -4.011  -3.469
+  441TIP3    H1 7632   0.904  -4.067  -3.407
+  441TIP3    H2 7633   0.997  -3.949  -3.410
+  442TIP3   OH2 7634  -0.160  -3.872  -3.324
+  442TIP3    H1 7635  -0.101  -3.806  -3.282
+  442TIP3    H2 7636  -0.113  -3.879  -3.409
+  443TIP3   OH2 7637  -0.062  -3.083  -3.016
+  443TIP3    H1 7638  -0.060  -2.987  -3.034
+  443TIP3    H2 7639  -0.143  -3.089  -2.962
+  444TIP3   OH2 7640  -0.427  -3.113  -3.914
+  444TIP3    H1 7641  -0.443  -3.076  -4.003
+  444TIP3    H2 7642  -0.411  -3.035  -3.858
+  445TIP3   OH2 7643   0.920  -2.968  -3.240
+  445TIP3    H1 7644   0.823  -2.955  -3.237
+  445TIP3    H2 7645   0.948  -2.882  -3.275
+  446TIP3   OH2 7646   0.963  -4.109  -3.065
+  446TIP3    H1 7647   0.882  -4.079  -3.110
+  446TIP3    H2 7648   1.028  -4.099  -3.137
+  447TIP3   OH2 7649   0.276   4.370  -3.328
+  447TIP3    H1 7650   0.272   4.286  -3.375
+  447TIP3    H2 7651   0.186   4.407  -3.333
+  448TIP3   OH2 7652   0.749  -2.773  -3.586
+  448TIP3    H1 7653   0.798  -2.853  -3.613
+  448TIP3    H2 7654   0.819  -2.705  -3.590
+  449TIP3   OH2 7655   0.895  -2.986  -3.719
+  449TIP3    H1 7656   0.845  -3.033  -3.787
+  449TIP3    H2 7657   0.891  -3.050  -3.645
+  450TIP3   OH2 7658   1.050  -3.105  -2.871
+  450TIP3    H1 7659   1.039  -3.169  -2.943
+  450TIP3    H2 7660   1.062  -3.021  -2.920
+  451TIP3   OH2 7661   0.480  -3.415  -3.906
+  451TIP3    H1 7662   0.413  -3.355  -3.944
+  451TIP3    H2 7663   0.553  -3.408  -3.968
+  452TIP3   OH2 7664   0.494  -3.591  -4.207
+  452TIP3    H1 7665   0.561  -3.562  -4.143
+  452TIP3    H2 7666   0.549  -3.652  -4.262
+  453TIP3   OH2 7667   1.226  -3.488  -3.077
+  453TIP3    H1 7668   1.153  -3.423  -3.068
+  453TIP3    H2 7669   1.273  -3.453  -3.155
+  454TIP3   OH2 7670   0.827  -3.415  -3.795
+  454TIP3    H1 7671   0.758  -3.394  -3.728
+  454TIP3    H2 7672   0.887  -3.472  -3.742
+  455TIP3   OH2 7673   0.812  -3.562  -2.910
+  455TIP3    H1 7674   0.816  -3.481  -2.857
+  455TIP3    H2 7675   0.746  -3.533  -2.976
+  456TIP3   OH2 7676   0.120  -3.001  -3.342
+  456TIP3    H1 7677   0.121  -3.036  -3.431
+  456TIP3    H2 7678   0.200  -3.043  -3.304
+  457TIP3   OH2 7679   0.028  -3.395  -3.314
+  457TIP3    H1 7680   0.081  -3.462  -3.361
+  457TIP3    H2 7681   0.078  -3.385  -3.230
+  458TIP3   OH2 7682   0.638  -2.904  -3.210
+  458TIP3    H1 7683   0.642  -2.838  -3.139
+  458TIP3    H2 7684   0.617  -2.987  -3.162
+  459TIP3   OH2 7685   0.130  -3.024  -2.783
+  459TIP3    H1 7686   0.080  -2.957  -2.733
+  459TIP3    H2 7687   0.065  -3.050  -2.852
+  460TIP3   OH2 7688   0.735  -3.467  -4.057
+  460TIP3    H1 7689   0.776  -3.443  -3.971
+  460TIP3    H2 7690   0.797  -3.425  -4.120
+  461TIP3   OH2 7691  -0.182  -3.378  -2.880
+  461TIP3    H1 7692  -0.172  -3.327  -2.797
+  461TIP3    H2 7693  -0.276  -3.400  -2.878
+  462TIP3   OH2 7694   0.461  -2.811  -3.692
+  462TIP3    H1 7695   0.517  -2.784  -3.618
+  462TIP3    H2 7696   0.421  -2.727  -3.719
+  463TIP3   OH2 7697  -0.060  -2.807  -2.702
+  463TIP3    H1 7698  -0.072  -2.802  -2.799
+  463TIP3    H2 7699  -0.148  -2.834  -2.670
+  464TIP3   OH2 7700   1.057  -4.338  -4.126
+  464TIP3    H1 7701   0.996  -4.330  -4.050
+  464TIP3    H2 7702   1.119  -4.267  -4.107
+  465TIP3   OH2 7703  -0.129  -3.432  -3.812
+  465TIP3    H1 7704  -0.135  -3.386  -3.897
+  465TIP3    H2 7705  -0.149  -3.524  -3.834
+  466TIP3   OH2 7706   1.183  -2.876  -4.253
+  466TIP3    H1 7707   1.207  -2.792  -4.210
+  466TIP3    H2 7708   1.260  -2.933  -4.235
+  467TIP3   OH2 7709  -0.510  -3.197  -2.994
+  467TIP3    H1 7710  -0.565  -3.196  -3.076
+  467TIP3    H2 7711  -0.504  -3.292  -2.974
+  468TIP3   OH2 7712  -0.510  -2.904  -3.298
+  468TIP3    H1 7713  -0.417  -2.929  -3.289
+  468TIP3    H2 7714  -0.519  -2.842  -3.224
+  469TIP3   OH2 7715   1.329  -2.842  -2.719
+  469TIP3    H1 7716   1.317  -2.937  -2.736
+  469TIP3    H2 7717   1.238  -2.817  -2.690
+  470TIP3   OH2 7718   0.393  -2.919  -2.840
+  470TIP3    H1 7719   0.402  -2.837  -2.787
+  470TIP3    H2 7720   0.304  -2.949  -2.815
+  471TIP3   OH2 7721   0.425  -2.540  -3.847
+  471TIP3    H1 7722   0.423  -2.527  -3.944
+  471TIP3    H2 7723   0.428  -2.449  -3.813
+  472TIP3   OH2 7724  -0.198  -2.628  -3.681
+  472TIP3    H1 7725  -0.181  -2.670  -3.594
+  472TIP3    H2 7726  -0.285  -2.663  -3.702
+  473TIP3   OH2 7727   0.730  -2.566  -4.102
+  473TIP3    H1 7728   0.780  -2.601  -4.177
+  473TIP3    H2 7729   0.748  -2.630  -4.030
+  474TIP3   OH2 7730   0.697  -2.673  -3.849
+  474TIP3    H1 7731   0.607  -2.642  -3.832
+  474TIP3    H2 7732   0.714  -2.727  -3.770
+  475TIP3   OH2 7733   1.009  -3.708  -2.680
+  475TIP3    H1 7734   0.956  -3.669  -2.751
+  475TIP3    H2 7735   1.015  -3.801  -2.709
+  476TIP3   OH2 7736  -0.296  -3.040  -2.865
+  476TIP3    H1 7737  -0.269  -3.088  -2.784
+  476TIP3    H2 7738  -0.368  -3.097  -2.900
+  477TIP3   OH2 7739   0.022  -4.216  -3.277
+  477TIP3    H1 7740  -0.061  -4.244  -3.319
+  477TIP3    H2 7741  -0.007  -4.137  -3.229
+  478TIP3   OH2 7742   0.483  -4.260  -2.915
+  478TIP3    H1 7743   0.498  -4.309  -2.833
+  478TIP3    H2 7744   0.389  -4.277  -2.929
+  479TIP3   OH2 7745   0.779  -3.863  -2.873
+  479TIP3    H1 7746   0.719  -3.875  -2.797
+  479TIP3    H2 7747   0.772  -3.768  -2.892
+  480TIP3   OH2 7748   0.957  -3.386  -4.253
+  480TIP3    H1 7749   0.912  -3.403  -4.337
+  480TIP3    H2 7750   0.987  -3.295  -4.270
+  481TIP3   OH2 7751   0.442  -3.997  -4.213
+  481TIP3    H1 7752   0.387  -3.995  -4.132
+  481TIP3    H2 7753   0.394  -4.065  -4.262
+  482TIP3   OH2 7754   0.005  -3.718  -3.146
+  482TIP3    H1 7755  -0.060  -3.703  -3.076
+  482TIP3    H2 7756   0.003  -3.636  -3.197
+  483TIP3   OH2 7757   0.570  -3.654  -3.785
+  483TIP3    H1 7758   0.528  -3.572  -3.818
+  483TIP3    H2 7759   0.632  -3.674  -3.856
+  484TIP3   OH2 7760   0.483  -3.632  -2.649
+  484TIP3    H1 7761   0.433  -3.707  -2.611
+  484TIP3    H2 7762   0.570  -3.643  -2.606
+  485TIP3   OH2 7763   0.651  -3.711  -3.504
+  485TIP3    H1 7764   0.621  -3.654  -3.578
+  485TIP3    H2 7765   0.669  -3.793  -3.554
+  486TIP3   OH2 7766  -0.259  -3.691  -2.972
+  486TIP3    H1 7767  -0.221  -3.667  -2.887
+  486TIP3    H2 7768  -0.296  -3.779  -2.951
+  487TIP3   OH2 7769   0.117  -3.958  -4.312
+  487TIP3    H1 7770   0.089  -3.984  -4.223
+  487TIP3    H2 7771   0.040  -3.908  -4.344
+  488TIP3   OH2 7772  -0.566  -3.950  -3.601
+  488TIP3    H1 7773  -0.512  -3.962  -3.521
+  488TIP3    H2 7774  -0.517  -3.997  -3.670
+  489TIP3   OH2 7775  -0.424  -3.917  -4.047
+  489TIP3    H1 7776  -0.354  -3.868  -4.093
+  489TIP3    H2 7777  -0.481  -3.845  -4.014
+  490TIP3   OH2 7778   0.560  -3.543  -3.057
+  490TIP3    H1 7779   0.603  -3.615  -3.110
+  490TIP3    H2 7780   0.527  -3.592  -2.981
+  491TIP3   OH2 7781   0.255  -3.967  -3.564
+  491TIP3    H1 7782   0.169  -3.925  -3.546
+  491TIP3    H2 7783   0.293  -3.975  -3.476
+  492TIP3   OH2 7784  -0.241  -3.799  -3.736
+  492TIP3    H1 7785  -0.336  -3.808  -3.724
+  492TIP3    H2 7786  -0.204  -3.889  -3.728
+  493TIP3   OH2 7787   0.087  -3.802  -3.933
+  493TIP3    H1 7788   0.168  -3.781  -3.884
+  493TIP3    H2 7789   0.067  -3.722  -3.982
+  494TIP3   OH2 7790   0.715  -4.031  -3.254
+  494TIP3    H1 7791   0.650  -4.035  -3.182
+  494TIP3    H2 7792   0.662  -4.065  -3.327
+  495TIP3   OH2 7793  -0.050  -3.663  -4.166
+  495TIP3    H1 7794  -0.099  -3.731  -4.215
+  495TIP3    H2 7795   0.035  -3.660  -4.212
+  496TIP3   OH2 7796   1.018  -2.454  -2.589
+  496TIP3    H1 7797   1.043  -2.409  -2.672
+  496TIP3    H2 7798   1.091  -2.426  -2.530
+  497TIP3   OH2 7799  -0.189  -3.194  -2.648
+  497TIP3    H1 7800  -0.121  -3.187  -2.577
+  497TIP3    H2 7801  -0.269  -3.196  -2.592
+  498TIP3   OH2 7802   0.388  -3.677  -3.374
+  498TIP3    H1 7803   0.445  -3.728  -3.431
+  498TIP3    H2 7804   0.354  -3.743  -3.311
+  499TIP3   OH2 7805  -0.100  -4.056  -3.730
+  499TIP3    H1 7806  -0.139  -4.144  -3.730
+  499TIP3    H2 7807  -0.018  -4.068  -3.779
+  500TIP3   OH2 7808   0.279  -3.845  -3.156
+  500TIP3    H1 7809   0.202  -3.785  -3.152
+  500TIP3    H2 7810   0.329  -3.820  -3.076
+  501TIP3   OH2 7811   0.289  -3.209  -3.957
+  501TIP3    H1 7812   0.215  -3.261  -3.992
+  501TIP3    H2 7813   0.273  -3.212  -3.860
+  502TIP3   OH2 7814   1.016  -3.293  -3.087
+  502TIP3    H1 7815   1.065  -3.239  -3.152
+  502TIP3    H2 7816   0.930  -3.305  -3.132
+  503TIP3   OH2 7817   0.711  -3.928  -4.193
+  503TIP3    H1 7818   0.614  -3.938  -4.186
+  503TIP3    H2 7819   0.733  -3.859  -4.127
+  504TIP3   OH2 7820   0.454  -3.210  -2.830
+  504TIP3    H1 7821   0.431  -3.241  -2.741
+  504TIP3    H2 7822   0.428  -3.116  -2.827
+  505TIP3   OH2 7823   0.771  -3.750  -3.990
+  505TIP3    H1 7824   0.855  -3.766  -3.944
+  505TIP3    H2 7825   0.785  -3.661  -4.029
+  506TIP3   OH2 7826   0.538  -3.076  -4.070
+  506TIP3    H1 7827   0.510  -2.987  -4.038
+  506TIP3    H2 7828   0.462  -3.129  -4.041
+  507TIP3   OH2 7829  -0.469  -3.443  -2.850
+  507TIP3    H1 7830  -0.451  -3.487  -2.765
+  507TIP3    H2 7831  -0.525  -3.507  -2.896
+  508TIP3   OH2 7832   0.230  -3.493  -2.657
+  508TIP3    H1 7833   0.202  -3.516  -2.747
+  508TIP3    H2 7834   0.323  -3.521  -2.659
+  509TIP3   OH2 7835   0.684  -2.951  -2.882
+  509TIP3    H1 7836   0.587  -2.941  -2.887
+  509TIP3    H2 7837   0.701  -2.924  -2.790
+  510TIP3   OH2 7838   1.243  -3.738  -4.002
+  510TIP3    H1 7839   1.177  -3.756  -4.072
+  510TIP3    H2 7840   1.254  -3.643  -4.017
+  511TIP3   OH2 7841   1.282  -3.141  -2.724
+  511TIP3    H1 7842   1.188  -3.119  -2.742
+  511TIP3    H2 7843   1.315  -3.158  -2.814
+  512TIP3   OH2 7844   1.068  -2.881  -3.990
+  512TIP3    H1 7845   1.036  -2.957  -3.940
+  512TIP3    H2 7846   1.094  -2.921  -4.075
+  513TIP3   OH2 7847   0.781  -3.350  -3.257
+  513TIP3    H1 7848   0.688  -3.366  -3.281
+  513TIP3    H2 7849   0.825  -3.423  -3.305
+  514TIP3   OH2 7850   0.042  -2.947  -3.654
+  514TIP3    H1 7851   0.092  -2.864  -3.663
+  514TIP3    H2 7852  -0.047  -2.917  -3.677
+  515TIP3   OH2 7853  -0.363  -3.407  -4.243
+  515TIP3    H1 7854  -0.304  -3.379  -4.170
+  515TIP3    H2 7855  -0.448  -3.413  -4.195
+  516TIP3   OH2 7856   0.208  -3.190  -3.686
+  516TIP3    H1 7857   0.179  -3.098  -3.673
+  516TIP3    H2 7858   0.135  -3.240  -3.647
+  517TIP3   OH2 7859   0.245  -2.747  -3.056
+  517TIP3    H1 7860   0.301  -2.672  -3.082
+  517TIP3    H2 7861   0.306  -2.797  -2.999
+  518TIP3   OH2 7862   0.089  -2.652  -3.734
+  518TIP3    H1 7863  -0.006  -2.636  -3.724
+  518TIP3    H2 7864   0.126  -2.566  -3.708
+  519TIP3   OH2 7865   0.586  -3.172  -3.099
+  519TIP3    H1 7866   0.558  -3.200  -3.010
+  519TIP3    H2 7867   0.659  -3.233  -3.116
+  520TIP3   OH2 7868   0.796  -3.029  -4.200
+  520TIP3    H1 7869   0.852  -3.072  -4.133
+  520TIP3    H2 7870   0.709  -3.048  -4.160
+  521TIP3   OH2 7871   0.880  -2.715  -2.859
+  521TIP3    H1 7872   0.804  -2.759  -2.902
+  521TIP3    H2 7873   0.892  -2.635  -2.913
+  522TIP3   OH2 7874   1.293  -2.598  -4.160
+  522TIP3    H1 7875   1.360  -2.528  -4.145
+  522TIP3    H2 7876   1.210  -2.550  -4.140
+  523TIP3   OH2 7877  -0.332  -3.960  -2.896
+  523TIP3    H1 7878  -0.425  -3.943  -2.924
+  523TIP3    H2 7879  -0.346  -4.046  -2.850
+  524TIP3   OH2 7880   0.899  -3.182  -3.969
+  524TIP3    H1 7881   0.873  -3.253  -3.907
+  524TIP3    H2 7882   0.997  -3.185  -3.961
+  525TIP3   OH2 7883  -0.356  -2.805  -3.051
+  525TIP3    H1 7884  -0.329  -2.895  -3.026
+  525TIP3    H2 7885  -0.338  -2.758  -2.968
+  526TIP3   OH2 7886   0.247  -2.939  -4.337
+  526TIP3    H1 7887   0.289  -3.023  -4.364
+  526TIP3    H2 7888   0.200  -2.967  -4.256
+  527TIP3   OH2 7889   0.104  -2.988  -4.075
+  527TIP3    H1 7890   0.160  -3.039  -4.015
+  527TIP3    H2 7891   0.125  -2.896  -4.049
+  528TIP3   OH2 7892  -0.209  -3.251  -4.043
+  528TIP3    H1 7893  -0.282  -3.215  -3.990
+  528TIP3    H2 7894  -0.159  -3.170  -4.064
+  529TIP3   OH2 7895   0.551  -4.004  -3.022
+  529TIP3    H1 7896   0.619  -3.982  -2.957
+  529TIP3    H2 7897   0.519  -4.091  -2.992
+  530TIP3   OH2 7898   0.640  -4.050  -3.923
+  530TIP3    H1 7899   0.656  -3.985  -3.993
+  530TIP3    H2 7900   0.670  -4.002  -3.844
+  531TIP3   OH2 7901   0.399  -2.827  -4.030
+  531TIP3    H1 7902   0.325  -2.772  -4.000
+  531TIP3    H2 7903   0.456  -2.761  -4.071
+  532TIP3   OH2 7904   0.364  -3.855  -3.805
+  532TIP3    H1 7905   0.438  -3.793  -3.788
+  532TIP3    H2 7906   0.327  -3.868  -3.716
+  533TIP3   OH2 7907   0.400  -3.759  -2.899
+  533TIP3    H1 7908   0.413  -3.711  -2.815
+  533TIP3    H2 7909   0.455  -3.837  -2.887
+  534TIP3   OH2 7910   0.440  -4.166  -3.714
+  534TIP3    H1 7911   0.409  -4.090  -3.662
+  534TIP3    H2 7912   0.496  -4.124  -3.782
+  535TIP3   OH2 7913   0.117  -2.706  -4.026
+  535TIP3    H1 7914   0.127  -2.621  -4.074
+  535TIP3    H2 7915   0.109  -2.677  -3.933
+  536TIP3   OH2 7916  -0.011  -4.035  -4.057
+  536TIP3    H1 7917  -0.008  -3.953  -4.003
+  536TIP3    H2 7918   0.075  -4.074  -4.030
+  537TIP3   OH2 7919   1.041  -3.963  -2.819
+  537TIP3    H1 7920   0.944  -3.952  -2.826
+  537TIP3    H2 7921   1.059  -3.990  -2.910
+  538TIP3   OH2 7922   0.882  -3.574  -3.410
+  538TIP3    H1 7923   0.798  -3.619  -3.434
+  538TIP3    H2 7924   0.930  -3.646  -3.362
+  539TIP3   OH2 7925  -0.166  -2.955  -4.178
+  539TIP3    H1 7926  -0.097  -2.915  -4.123
+  539TIP3    H2 7927  -0.112  -3.020  -4.227
+  540TIP3   OH2 7928  -0.336  -3.733  -4.271
+  540TIP3    H1 7929  -0.327  -3.644  -4.232
+  540TIP3    H2 7930  -0.431  -3.744  -4.282
+  541TIP3   OH2 7931   0.984  -2.690  -3.272
+  541TIP3    H1 7932   0.967  -2.606  -3.319
+  541TIP3    H2 7933   1.076  -2.677  -3.244
+  542TIP3   OH2 7934  -0.338  -4.243  -3.357
+  542TIP3    H1 7935  -0.294  -4.242  -3.443
+  542TIP3    H2 7936  -0.314  -4.333  -3.328
+  543TIP3   OH2 7937  -0.368  -2.888  -3.746
+  543TIP3    H1 7938  -0.446  -2.836  -3.724
+  543TIP3    H2 7939  -0.328  -2.835  -3.816
+  544TIP3   OH2 7940  -0.425  -2.599  -2.629
+  544TIP3    H1 7941  -0.368  -2.626  -2.555
+  544TIP3    H2 7942  -0.464  -2.684  -2.656
+  545TIP3   OH2 7943   0.036  -2.695  -2.449
+  545TIP3    H1 7944   0.112  -2.752  -2.428
+  545TIP3    H2 7945   0.021  -2.719  -2.542
+  546TIP3   OH2 7946   0.468  -2.757  -4.330
+  546TIP3    H1 7947   0.387  -2.811  -4.326
+  546TIP3    H2 7948   0.532  -2.826  -4.356
+  547TIP3   OH2 7949   0.691  -2.865  -2.592
+  547TIP3    H1 7950   0.654  -2.947  -2.554
+  547TIP3    H2 7951   0.761  -2.842  -2.528
+  548TIP3   OH2 7952   0.867  -2.822   4.283
+  548TIP3    H1 7953   0.856  -2.868   4.368
+  548TIP3    H2 7954   0.958  -2.791   4.285
+  549TIP3   OH2 7955  -0.429  -3.236  -2.515
+  549TIP3    H1 7956  -0.420  -3.326  -2.549
+  549TIP3    H2 7957  -0.506  -3.205  -2.566
+  550TIP3   OH2 7958  -0.047  -3.187  -4.311
+  550TIP3    H1 7959  -0.001  -3.244  -4.247
+  550TIP3    H2 7960   0.022  -3.175  -4.380
+  551TIP3   OH2 7961   0.228  -3.217  -2.581
+  551TIP3    H1 7962   0.204  -3.184  -2.669
+  551TIP3    H2 7963   0.240  -3.312  -2.596
+  552TIP3   OH2 7964   0.527  -3.075  -4.347
+  552TIP3    H1 7965   0.542  -3.065  -4.251
+  552TIP3    H2 7966   0.590  -3.145  -4.371
+  553TIP3   OH2 7967   0.769  -3.253  -2.844
+  553TIP3    H1 7968   0.849  -3.201  -2.862
+  553TIP3    H2 7969   0.701  -3.184  -2.846
+  554TIP3   OH2 7970  -0.343  -3.521  -2.601
+  554TIP3    H1 7971  -0.269  -3.585  -2.601
+  554TIP3    H2 7972  -0.350  -3.503  -2.506
+  555TIP3   OH2 7973   0.098  -3.386  -4.084
+  555TIP3    H1 7974   0.047  -3.439  -4.022
+  555TIP3    H2 7975   0.133  -3.454  -4.144
+  556TIP3   OH2 7976   0.017  -3.611  -2.861
+  556TIP3    H1 7977  -0.027  -3.529  -2.833
+  556TIP3    H2 7978   0.088  -3.577  -2.919
+  557TIP3   OH2 7979   0.215  -3.566  -4.281
+  557TIP3    H1 7980   0.225  -3.597  -4.373
+  557TIP3    H2 7981   0.309  -3.572  -4.252
+  558TIP3   OH2 7982   0.551  -3.338  -2.502
+  558TIP3    H1 7983   0.642  -3.356  -2.530
+  558TIP3    H2 7984   0.527  -3.421  -2.458
+  559TIP3   OH2 7985   0.079  -3.880  -2.745
+  559TIP3    H1 7986   0.089  -3.946  -2.816
+  559TIP3    H2 7987   0.061  -3.799  -2.796
+  560TIP3   OH2 7988   0.119  -4.036  -3.003
+  560TIP3    H1 7989   0.172  -3.983  -3.065
+  560TIP3    H2 7990   0.028  -4.025  -3.039
+  561TIP3   OH2 7991   0.265  -3.489  -2.956
+  561TIP3    H1 7992   0.351  -3.499  -3.001
+  561TIP3    H2 7993   0.239  -3.400  -2.986
+  562TIP3   OH2 7994   0.726  -3.694  -2.480
+  562TIP3    H1 7995   0.747  -3.787  -2.461
+  562TIP3    H2 7996   0.815  -3.655  -2.481
+  563TIP3   OH2 7997   0.824  -3.415  -2.630
+  563TIP3    H1 7998   0.790  -3.354  -2.698
+  563TIP3    H2 7999   0.914  -3.431  -2.666
+  564TIP3   OH2 8000  -0.099  -3.695  -2.564
+  564TIP3    H1 8001  -0.150  -3.778  -2.562
+  564TIP3    H2 8002  -0.017  -3.724  -2.607
+  565TIP3   OH2 8003   0.173  -4.276  -2.872
+  565TIP3    H1 8004   0.175  -4.188  -2.914
+  565TIP3    H2 8005   0.096  -4.315  -2.917
+  566TIP3   OH2 8006   0.314  -3.843  -2.585
+  566TIP3    H1 8007   0.284  -3.871  -2.497
+  566TIP3    H2 8008   0.234  -3.864  -2.637
+  567TIP3   OH2 8009   0.575  -3.944  -2.686
+  567TIP3    H1 8010   0.485  -3.931  -2.650
+  567TIP3    H2 8011   0.611  -4.010  -2.624
+  568TIP3   OH2 8012   0.747  -4.136  -2.517
+  568TIP3    H1 8013   0.729  -4.223  -2.479
+  568TIP3    H2 8014   0.731  -4.076  -2.442
+  569TIP3   OH2 8015  -0.220  -3.958  -2.575
+  569TIP3    H1 8016  -0.244  -4.020  -2.646
+  569TIP3    H2 8017  -0.263  -3.999  -2.498
+  570TIP3   OH2 8018   0.276  -4.146  -2.476
+  570TIP3    H1 8019   0.255  -4.229  -2.522
+  570TIP3    H2 8020   0.190  -4.100  -2.471
+  571TIP3   OH2 8021   0.177  -2.463  -4.174
+  571TIP3    H1 8022   0.273  -2.448  -4.161
+  571TIP3    H2 8023   0.154  -2.397  -4.241
+  572TIP3   OH2 8024  -0.434  -3.062  -4.185
+  572TIP3    H1 8025  -0.351  -3.013  -4.198
+  572TIP3    H2 8026  -0.467  -3.079  -4.275
+  573TIP3   OH2 8027  -0.534  -2.503  -3.721
+  573TIP3    H1 8028  -0.607  -2.537  -3.776
+  573TIP3    H2 8029  -0.530  -2.569  -3.650
+  574TIP3   OH2 8030  -0.497  -2.699  -3.520
+  574TIP3    H1 8031  -0.529  -2.785  -3.488
+  574TIP3    H2 8032  -0.464  -2.663  -3.437
+  575TIP3   OH2 8033   1.257  -2.578  -3.221
+  575TIP3    H1 8034   1.267  -2.569  -3.125
+  575TIP3    H2 8035   1.340  -2.539  -3.251
+  576TIP3   OH2 8036   1.243  -2.627  -2.931
+  576TIP3    H1 8037   1.194  -2.703  -2.967
+  576TIP3    H2 8038   1.301  -2.671  -2.867
+  577TIP3   OH2 8039   1.045  -3.085  -2.503
+  577TIP3    H1 8040   0.957  -3.077  -2.463
+  577TIP3    H2 8041   1.090  -3.005  -2.471
+  578TIP3   OH2 8042   1.185  -3.202  -3.930
+  578TIP3    H1 8043   1.275  -3.166  -3.916
+  578TIP3    H2 8044   1.180  -3.265  -3.856
+  579TIP3   OH2 8045   1.231  -3.402  -3.732
+  579TIP3    H1 8046   1.163  -3.456  -3.687
+  579TIP3    H2 8047   1.298  -3.388  -3.663
+  580TIP3   OH2 8048   1.203  -3.149  -3.234
+  580TIP3    H1 8049   1.266  -3.197  -3.289
+  580TIP3    H2 8050   1.217  -3.057  -3.264
+  581TIP3   OH2 8051   1.075  -2.858  -3.010
+  581TIP3    H1 8052   1.003  -2.817  -2.959
+  581TIP3    H2 8053   1.028  -2.894  -3.087
+  582TIP3   OH2 8054   1.258  -3.434  -4.109
+  582TIP3    H1 8055   1.196  -3.403  -4.176
+  582TIP3    H2 8056   1.241  -3.368  -4.039
+  583TIP3   OH2 8057   1.077  -3.696  -4.219
+  583TIP3    H1 8058   1.110  -3.621  -4.270
+  583TIP3    H2 8059   1.123  -3.770  -4.261
+  584TIP3   OH2 8060   1.025  -3.585  -3.650
+  584TIP3    H1 8061   1.016  -3.680  -3.667
+  584TIP3    H2 8062   0.986  -3.576  -3.560
+  585TIP3   OH2 8063  -0.471  -3.363  -3.322
+  585TIP3    H1 8064  -0.456  -3.426  -3.393
+  585TIP3    H2 8065  -0.401  -3.388  -3.259
+  586TIP3   OH2 8066   1.085  -3.393  -2.736
+  586TIP3    H1 8067   1.159  -3.455  -2.718
+  586TIP3    H2 8068   1.132  -3.310  -2.754
+  587TIP3   OH2 8069   1.241  -3.583  -2.616
+  587TIP3    H1 8070   1.161  -3.636  -2.638
+  587TIP3    H2 8071   1.310  -3.652  -2.616
+  588TIP3   OH2 8072   1.005  -4.028  -4.340
+  588TIP3    H1 8073   1.062  -4.043  -4.264
+  588TIP3    H2 8074   0.915  -4.045  -4.307
+  589TIP3   OH2 8075   1.002  -3.826  -3.837
+  589TIP3    H1 8076   1.021  -3.922  -3.828
+  589TIP3    H2 8077   1.087  -3.794  -3.871
+  590TIP3   OH2 8078   1.034  -3.773  -3.292
+  590TIP3    H1 8079   1.132  -3.768  -3.292
+  590TIP3    H2 8080   1.018  -3.777  -3.196
+  591TIP3   OH2 8081   1.049  -3.707  -3.006
+  591TIP3    H1 8082   0.964  -3.665  -2.980
+  591TIP3    H2 8083   1.103  -3.628  -3.028
+  592TIP3   OH2 8084  -0.505  -3.835  -2.626
+  592TIP3    H1 8085  -0.413  -3.859  -2.644
+  592TIP3    H2 8086  -0.549  -3.921  -2.630
+  593TIP3   OH2 8087   1.262  -4.281  -2.430
+  593TIP3    H1 8088   1.316  -4.357  -2.454
+  593TIP3    H2 8089   1.265  -4.220  -2.507
+  594TIP3   OH2 8090   1.037  -4.097  -3.824
+  594TIP3    H1 8091   1.056  -4.148  -3.744
+  594TIP3    H2 8092   0.976  -4.158  -3.869
+  595TIP3   OH2 8093  -0.427  -3.989  -3.357
+  595TIP3    H1 8094  -0.400  -4.083  -3.347
+  595TIP3    H2 8095  -0.343  -3.945  -3.333
+  596TIP3   OH2 8096  -0.567  -3.726  -3.259
+  596TIP3    H1 8097  -0.508  -3.737  -3.335
+  596TIP3    H2 8098  -0.527  -3.653  -3.211
+  597TIP3   OH2 8099   1.244  -4.113  -2.644
+  597TIP3    H1 8100   1.159  -4.065  -2.635
+  597TIP3    H2 8101   1.233  -4.147  -2.735
+  598TIP3   OH2 8102   1.257  -4.072  -4.174
+  598TIP3    H1 8103   1.281  -4.147  -4.230
+  598TIP3    H2 8104   1.338  -4.020  -4.171
+  599TIP3   OH2 8105  -0.516  -4.097  -3.850
+  599TIP3    H1 8106  -0.610  -4.095  -3.873
+  599TIP3    H2 8107  -0.476  -4.034  -3.912
+  600TIP3   OH2 8108   0.942  -2.571  -3.642
+  600TIP3    H1 8109   0.993  -2.597  -3.720
+  600TIP3    H2 8110   1.010  -2.531  -3.586
+  601TIP3   OH2 8111  -0.541  -4.125  -3.000
+  601TIP3    H1 8112  -0.540  -4.218  -2.971
+  601TIP3    H2 8113  -0.554  -4.137  -3.095
+  602TIP3   OH2 8114  -0.316  -2.901  -2.565
+  602TIP3    H1 8115  -0.387  -2.899  -2.631
+  602TIP3    H2 8116  -0.364  -2.895  -2.482
+  603TIP3   OH2 8117  -0.031  -2.800  -3.001
+  603TIP3    H1 8118  -0.062  -2.714  -3.034
+  603TIP3    H2 8119   0.065  -2.789  -3.017
+  604TIP3   OH2 8120   0.419  -2.668  -2.698
+  604TIP3    H1 8121   0.435  -2.685  -2.604
+  604TIP3    H2 8122   0.502  -2.623  -2.724
+  605TIP3   OH2 8123   0.647  -2.523  -2.775
+  605TIP3    H1 8124   0.717  -2.586  -2.797
+  605TIP3    H2 8125   0.678  -2.490  -2.688
+  606TIP3   OH2 8126   1.108  -4.276  -2.854
+  606TIP3    H1 8127   1.056  -4.215  -2.909
+  606TIP3    H2 8128   1.126  -4.345  -2.920
+  607TIP3   OH2 8129  -0.296  -2.505  -2.966
+  607TIP3    H1 8130  -0.354  -2.440  -3.010
+  607TIP3    H2 8131  -0.327  -2.497  -2.875
+  608TIP3   OH2 8132  -0.046  -2.526  -3.112
+  608TIP3    H1 8133  -0.130  -2.505  -3.068
+  608TIP3    H2 8134  -0.040  -2.456  -3.180
+  609TIP3   OH2 8135   0.428  -2.526  -3.155
+  609TIP3    H1 8136   0.394  -2.479  -3.233
+  609TIP3    H2 8137   0.439  -2.452  -3.092
+  610TIP3   OH2 8138   0.664  -2.654  -3.064
+  610TIP3    H1 8139   0.580  -2.617  -3.096
+  610TIP3    H2 8140   0.721  -2.576  -3.064
+  611TIP3   OH2 8141   0.915  -2.482  -3.043
+  611TIP3    H1 8142   0.914  -2.386  -3.062
+  611TIP3    H2 8143   0.946  -2.516  -3.129
+  612TIP3   OH2 8144  -0.337  -2.624  -3.273
+  612TIP3    H1 8145  -0.338  -2.671  -3.186
+  612TIP3    H2 8146  -0.259  -2.666  -3.315
+  613TIP3   OH2 8147  -0.135  -2.752  -3.425
+  613TIP3    H1 8148  -0.147  -2.847  -3.401
+  613TIP3    H2 8149  -0.043  -2.735  -3.394
+  614TIP3   OH2 8150   0.139  -2.702  -3.339
+  614TIP3    H1 8151   0.162  -2.794  -3.361
+  614TIP3    H2 8152   0.149  -2.703  -3.243
+  615TIP3   OH2 8153   0.476  -4.115  -3.412
+  615TIP3    H1 8154   0.416  -4.183  -3.378
+  615TIP3    H2 8155   0.530  -4.166  -3.474
+  616TIP3   OH2 8156   0.994  -4.326  -3.360
+  616TIP3    H1 8157   1.054  -4.291  -3.428
+  616TIP3    H2 8158   0.907  -4.317  -3.402
+  617TIP3   OH2 8159   1.205  -4.228  -3.579
+  617TIP3    H1 8160   1.246  -4.245  -3.665
+  617TIP3    H2 8161   1.211  -4.132  -3.570
+  618TIP3   OH2 8162  -0.296  -4.281  -3.683
+  618TIP3    H1 8163  -0.386  -4.312  -3.699
+  618TIP3    H2 8164  -0.253  -4.359  -3.647
+  619TIP3   OH2 8165  -0.434  -4.282  -4.067
+  619TIP3    H1 8166  -0.382  -4.232  -4.133
+  619TIP3    H2 8167  -0.467  -4.211  -4.010
+  620TIP3   OH2 8168   0.171  -4.275  -3.674
+  620TIP3    H1 8169   0.259  -4.234  -3.672
+  620TIP3    H2 8170   0.150  -4.285  -3.581
+  621TIP3   OH2 8171   0.730  -4.272  -3.517
+  621TIP3    H1 8172   0.722  -4.270  -3.613
+  621TIP3    H2 8173   0.686  -4.359  -3.498
+  622TIP3   OH2 8174   0.826  -4.274  -3.932
+  622TIP3    H1 8175   0.748  -4.216  -3.946
+  622TIP3    H2 8176   0.785  -4.356  -3.900
+  623TIP3   OH2 8177  -0.401  -2.697  -3.966
+  623TIP3    H1 8178  -0.475  -2.697  -4.030
+  623TIP3    H2 8179  -0.402  -2.604  -3.940
+  624TIP3   OH2 8180  -0.238  -4.120  -4.222
+  624TIP3    H1 8181  -0.175  -4.163  -4.281
+  624TIP3    H2 8182  -0.178  -4.063  -4.170
+  625TIP3   OH2 8183   0.275  -4.058  -3.984
+  625TIP3    H1 8184   0.294  -4.144  -3.942
+  625TIP3    H2 8185   0.300  -3.994  -3.914
+  626TIP3   OH2 8186   0.460  -2.530  -4.146
+  626TIP3    H1 8187   0.557  -2.515  -4.137
+  626TIP3    H2 8188   0.460  -2.591  -4.222
+  627TIP3   OH2 8189   1.138  -2.613  -3.884
+  627TIP3    H1 8190   1.108  -2.696  -3.927
+  627TIP3    H2 8191   1.115  -2.546  -3.951
+  628TIP3   OH2 8192  -0.330  -4.177  -2.732
+  628TIP3    H1 8193  -0.376  -4.256  -2.700
+  628TIP3    H2 8194  -0.242  -4.216  -2.745
+  629TIP3   OH2 8195  -0.038  -4.278  -2.467
+  629TIP3    H1 8196   0.049  -4.304  -2.506
+  629TIP3    H2 8197  -0.063  -4.358  -2.420
+  630TIP3   OH2 8198  -0.207  -2.589  -4.231
+  630TIP3    H1 8199  -0.245  -2.561  -4.147
+  630TIP3    H2 8200  -0.136  -2.648  -4.205
+  631TIP3   OH2 8201   1.077  -2.734  -2.641
+  631TIP3    H1 8202   1.003  -2.752  -2.701
+  631TIP3    H2 8203   1.061  -2.640  -2.621
+  632TIP3   OH2 8204   2.497  -3.368  -3.628
+  632TIP3    H1 8205   2.497  -3.272  -3.614
+  632TIP3    H2 8206   2.418  -3.379  -3.683
+  633TIP3   OH2 8207   2.382  -3.422  -3.321
+  633TIP3    H1 8208   2.381  -3.477  -3.240
+  633TIP3    H2 8209   2.353  -3.486  -3.388
+  634TIP3   OH2 8210   1.631  -3.464  -3.154
+  634TIP3    H1 8211   1.628  -3.539  -3.091
+  634TIP3    H2 8212   1.699  -3.409  -3.113
+  635TIP3   OH2 8213   2.748  -3.149  -3.488
+  635TIP3    H1 8214   2.713  -3.219  -3.432
+  635TIP3    H2 8215   2.782  -3.087  -3.422
+  636TIP3   OH2 8216   1.696  -2.998  -3.306
+  636TIP3    H1 8217   1.671  -3.091  -3.329
+  636TIP3    H2 8218   1.788  -3.013  -3.279
+  637TIP3   OH2 8219   1.397  -3.659  -3.765
+  637TIP3    H1 8220   1.354  -3.573  -3.751
+  637TIP3    H2 8221   1.324  -3.711  -3.802
+  638TIP3   OH2 8222   1.476  -3.414  -3.579
+  638TIP3    H1 8223   1.490  -3.497  -3.529
+  638TIP3    H2 8224   1.560  -3.405  -3.625
+  639TIP3   OH2 8225   2.456  -2.612  -3.432
+  639TIP3    H1 8226   2.514  -2.684  -3.464
+  639TIP3    H2 8227   2.428  -2.646  -3.346
+  640TIP3   OH2 8228   2.231  -3.171  -3.265
+  640TIP3    H1 8229   2.264  -3.244  -3.320
+  640TIP3    H2 8230   2.311  -3.155  -3.212
+  641TIP3   OH2 8231   3.086  -4.017  -3.207
+  641TIP3    H1 8232   3.119  -3.972  -3.128
+  641TIP3    H2 8233   3.151  -3.987  -3.273
+  642TIP3   OH2 8234   2.559  -3.740  -3.211
+  642TIP3    H1 8235   2.579  -3.836  -3.210
+  642TIP3    H2 8236   2.550  -3.724  -3.307
+  643TIP3   OH2 8237   1.856  -3.941  -3.503
+  643TIP3    H1 8238   1.871  -3.856  -3.548
+  643TIP3    H2 8239   1.821  -3.994  -3.577
+  644TIP3   OH2 8240   2.644  -3.924  -3.672
+  644TIP3    H1 8241   2.703  -3.967  -3.607
+  644TIP3    H2 8242   2.708  -3.878  -3.728
+  645TIP3   OH2 8243   1.528  -3.661  -3.455
+  645TIP3    H1 8244   1.586  -3.711  -3.396
+  645TIP3    H2 8245   1.533  -3.713  -3.537
+  646TIP3   OH2 8246   2.066  -3.525  -3.510
+  646TIP3    H1 8247   2.135  -3.580  -3.469
+  646TIP3    H2 8248   2.014  -3.592  -3.558
+  647TIP3   OH2 8249   3.180  -3.848  -2.941
+  647TIP3    H1 8250   3.105  -3.796  -2.976
+  647TIP3    H2 8251   3.141  -3.889  -2.864
+  648TIP3   OH2 8252   1.737  -4.056  -3.087
+  648TIP3    H1 8253   1.702  -4.001  -3.159
+  648TIP3    H2 8254   1.670  -4.037  -3.018
+  649TIP3   OH2 8255   2.486  -3.083  -3.750
+  649TIP3    H1 8256   2.452  -3.104  -3.838
+  649TIP3    H2 8257   2.443  -2.998  -3.731
+  650TIP3   OH2 8258   2.031  -3.270  -3.077
+  650TIP3    H1 8259   1.957  -3.211  -3.050
+  650TIP3    H2 8260   2.092  -3.207  -3.119
+  651TIP3   OH2 8261   2.833  -4.013  -3.467
+  651TIP3    H1 8262   2.785  -4.060  -3.398
+  651TIP3    H2 8263   2.885  -3.950  -3.415
+  652TIP3   OH2 8264   1.698  -3.855  -3.293
+  652TIP3    H1 8265   1.760  -3.795  -3.249
+  652TIP3    H2 8266   1.755  -3.890  -3.365
+  653TIP3   OH2 8267   1.829  -3.083  -3.006
+  653TIP3    H1 8268   1.826  -2.990  -3.033
+  653TIP3    H2 8269   1.743  -3.089  -2.960
+  654TIP3   OH2 8270   1.462  -3.112  -3.919
+  654TIP3    H1 8271   1.440  -3.069  -4.003
+  654TIP3    H2 8272   1.476  -3.038  -3.857
+  655TIP3   OH2 8273   2.805  -2.967  -3.239
+  655TIP3    H1 8274   2.709  -2.953  -3.237
+  655TIP3    H2 8275   2.836  -2.882  -3.275
+  656TIP3   OH2 8276   2.849  -4.110  -3.066
+  656TIP3    H1 8277   2.768  -4.078  -3.109
+  656TIP3    H2 8278   2.915  -4.097  -3.136
+  657TIP3   OH2 8279   2.159   4.381  -3.365
+  657TIP3    H1 8280   2.154   4.286  -3.353
+  657TIP3    H2 8281   2.072   4.413  -3.332
+  658TIP3   OH2 8282   2.636  -2.772  -3.584
+  658TIP3    H1 8283   2.684  -2.852  -3.614
+  658TIP3    H2 8284   2.706  -2.705  -3.592
+  659TIP3   OH2 8285   2.779  -2.985  -3.719
+  659TIP3    H1 8286   2.730  -3.033  -3.787
+  659TIP3    H2 8287   2.777  -3.050  -3.646
+  660TIP3   OH2 8288   2.934  -3.105  -2.871
+  660TIP3    H1 8289   2.925  -3.170  -2.943
+  660TIP3    H2 8290   2.949  -3.022  -2.920
+  661TIP3   OH2 8291   2.364  -3.420  -3.907
+  661TIP3    H1 8292   2.298  -3.355  -3.938
+  661TIP3    H2 8293   2.437  -3.405  -3.968
+  662TIP3   OH2 8294   2.385  -3.590  -4.213
+  662TIP3    H1 8295   2.448  -3.562  -4.145
+  662TIP3    H2 8296   2.441  -3.652  -4.265
+  663TIP3   OH2 8297   3.110  -3.489  -3.077
+  663TIP3    H1 8298   3.039  -3.422  -3.069
+  663TIP3    H2 8299   3.160  -3.454  -3.154
+  664TIP3   OH2 8300   2.711  -3.417  -3.795
+  664TIP3    H1 8301   2.644  -3.395  -3.727
+  664TIP3    H2 8302   2.774  -3.470  -3.742
+  665TIP3   OH2 8303   2.697  -3.562  -2.910
+  665TIP3    H1 8304   2.703  -3.481  -2.857
+  665TIP3    H2 8305   2.632  -3.532  -2.976
+  666TIP3   OH2 8306   1.873  -3.337  -3.617
+  666TIP3    H1 8307   1.842  -3.381  -3.698
+  666TIP3    H2 8308   1.937  -3.402  -3.582
+  667TIP3   OH2 8309   2.010  -2.995  -3.343
+  667TIP3    H1 8310   1.998  -3.038  -3.429
+  667TIP3    H2 8311   2.088  -3.042  -3.309
+  668TIP3   OH2 8312   1.933  -3.458  -3.267
+  668TIP3    H1 8313   1.990  -3.452  -3.345
+  668TIP3    H2 8314   1.970  -3.389  -3.208
+  669TIP3   OH2 8315   2.523  -2.902  -3.208
+  669TIP3    H1 8316   2.530  -2.838  -3.135
+  669TIP3    H2 8317   2.503  -2.986  -3.163
+  670TIP3   OH2 8318   2.015  -3.025  -2.784
+  670TIP3    H1 8319   1.964  -2.958  -2.734
+  670TIP3    H2 8320   1.950  -3.050  -2.852
+  671TIP3   OH2 8321   2.622  -3.469  -4.057
+  671TIP3    H1 8322   2.661  -3.443  -3.971
+  671TIP3    H2 8323   2.684  -3.425  -4.119
+  672TIP3   OH2 8324   1.709  -3.385  -2.872
+  672TIP3    H1 8325   1.714  -3.327  -2.793
+  672TIP3    H2 8326   1.612  -3.398  -2.879
+  673TIP3   OH2 8327   2.351  -2.810  -3.694
+  673TIP3    H1 8328   2.404  -2.784  -3.618
+  673TIP3    H2 8329   2.305  -2.728  -3.718
+  674TIP3   OH2 8330   1.826  -2.809  -2.702
+  674TIP3    H1 8331   1.812  -2.804  -2.798
+  674TIP3    H2 8332   1.737  -2.833  -2.668
+  675TIP3   OH2 8333   2.940  -4.335  -4.128
+  675TIP3    H1 8334   2.892  -4.332  -4.043
+  675TIP3    H2 8335   3.006  -4.266  -4.112
+  676TIP3   OH2 8336   1.767  -3.464  -3.865
+  676TIP3    H1 8337   1.741  -3.387  -3.919
+  676TIP3    H2 8338   1.697  -3.527  -3.885
+  677TIP3   OH2 8339   3.069  -2.882  -4.246
+  677TIP3    H1 8340   3.095  -2.794  -4.217
+  677TIP3    H2 8341   3.151  -2.933  -4.237
+  678TIP3   OH2 8342   1.371  -3.196  -2.990
+  678TIP3    H1 8343   1.326  -3.197  -3.077
+  678TIP3    H2 8344   1.383  -3.291  -2.972
+  679TIP3   OH2 8345   1.376  -2.902  -3.298
+  679TIP3    H1 8346   1.468  -2.932  -3.290
+  679TIP3    H2 8347   1.369  -2.842  -3.222
+  680TIP3   OH2 8348   3.215  -2.840  -2.719
+  680TIP3    H1 8349   3.206  -2.934  -2.741
+  680TIP3    H2 8350   3.123  -2.819  -2.690
+  681TIP3   OH2 8351   2.279  -2.920  -2.840
+  681TIP3    H1 8352   2.287  -2.838  -2.787
+  681TIP3    H2 8353   2.189  -2.950  -2.816
+  682TIP3   OH2 8354   2.309  -2.539  -3.846
+  682TIP3    H1 8355   2.308  -2.528  -3.943
+  682TIP3    H2 8356   2.316  -2.448  -3.814
+  683TIP3   OH2 8357   1.687  -2.625  -3.680
+  683TIP3    H1 8358   1.705  -2.669  -3.594
+  683TIP3    H2 8359   1.603  -2.666  -3.703
+  684TIP3   OH2 8360   2.619  -2.567  -4.107
+  684TIP3    H1 8361   2.673  -2.608  -4.175
+  684TIP3    H2 8362   2.627  -2.628  -4.031
+  685TIP3   OH2 8363   2.581  -2.665  -3.853
+  685TIP3    H1 8364   2.489  -2.642  -3.831
+  685TIP3    H2 8365   2.602  -2.726  -3.781
+  686TIP3   OH2 8366   2.894  -3.709  -2.679
+  686TIP3    H1 8367   2.842  -3.668  -2.750
+  686TIP3    H2 8368   2.900  -3.801  -2.711
+  687TIP3   OH2 8369   1.590  -3.042  -2.867
+  687TIP3    H1 8370   1.617  -3.087  -2.784
+  687TIP3    H2 8371   1.516  -3.096  -2.898
+  688TIP3   OH2 8372   1.912  -4.219  -3.274
+  688TIP3    H1 8373   1.830  -4.246  -3.318
+  688TIP3    H2 8374   1.883  -4.137  -3.231
+  689TIP3   OH2 8375   2.367  -4.262  -2.916
+  689TIP3    H1 8376   2.384  -4.310  -2.834
+  689TIP3    H2 8377   2.272  -4.277  -2.927
+  690TIP3   OH2 8378   2.665  -3.863  -2.873
+  690TIP3    H1 8379   2.604  -3.874  -2.797
+  690TIP3    H2 8380   2.658  -3.768  -2.892
+  691TIP3   OH2 8381   2.836  -3.385  -4.252
+  691TIP3    H1 8382   2.800  -3.396  -4.341
+  691TIP3    H2 8383   2.876  -3.297  -4.261
+  692TIP3   OH2 8384   2.328  -3.998  -4.214
+  692TIP3    H1 8385   2.273  -3.995  -4.133
+  692TIP3    H2 8386   2.278  -4.063  -4.264
+  693TIP3   OH2 8387   1.895  -3.716  -3.147
+  693TIP3    H1 8388   1.836  -3.704  -3.072
+  693TIP3    H2 8389   1.902  -3.624  -3.183
+  694TIP3   OH2 8390   1.889  -3.708  -3.659
+  694TIP3    H1 8391   1.793  -3.719  -3.674
+  694TIP3    H2 8392   1.923  -3.727  -3.749
+  695TIP3   OH2 8393   2.456  -3.655  -3.786
+  695TIP3    H1 8394   2.416  -3.570  -3.817
+  695TIP3    H2 8395   2.522  -3.671  -3.857
+  696TIP3   OH2 8396   2.370  -3.633  -2.650
+  696TIP3    H1 8397   2.318  -3.705  -2.611
+  696TIP3    H2 8398   2.456  -3.643  -2.605
+  697TIP3   OH2 8399   2.536  -3.712  -3.505
+  697TIP3    H1 8400   2.508  -3.653  -3.578
+  697TIP3    H2 8401   2.556  -3.793  -3.556
+  698TIP3   OH2 8402   1.633  -3.697  -2.966
+  698TIP3    H1 8403   1.656  -3.668  -2.877
+  698TIP3    H2 8404   1.592  -3.784  -2.947
+  699TIP3   OH2 8405   2.005  -3.958  -4.315
+  699TIP3    H1 8406   1.973  -3.985  -4.227
+  699TIP3    H2 8407   1.928  -3.906  -4.347
+  700TIP3   OH2 8408   1.316  -3.946  -3.605
+  700TIP3    H1 8409   1.368  -3.957  -3.523
+  700TIP3    H2 8410   1.365  -3.997  -3.670
+  701TIP3   OH2 8411   1.469  -3.911  -4.039
+  701TIP3    H1 8412   1.526  -3.860  -4.100
+  701TIP3    H2 8413   1.402  -3.844  -4.015
+  702TIP3   OH2 8414   2.445  -3.543  -3.059
+  702TIP3    H1 8415   2.489  -3.616  -3.108
+  702TIP3    H2 8416   2.412  -3.589  -2.981
+  703TIP3   OH2 8417   2.166  -3.944  -3.561
+  703TIP3    H1 8418   2.072  -3.957  -3.539
+  703TIP3    H2 8419   2.210  -3.971  -3.479
+  704TIP3   OH2 8420   1.627  -3.826  -3.693
+  704TIP3    H1 8421   1.542  -3.801  -3.732
+  704TIP3    H2 8422   1.650  -3.909  -3.738
+  705TIP3   OH2 8423   1.984  -3.788  -3.923
+  705TIP3    H1 8424   2.080  -3.782  -3.917
+  705TIP3    H2 8425   1.960  -3.728  -3.995
+  706TIP3   OH2 8426   2.601  -4.033  -3.256
+  706TIP3    H1 8427   2.538  -4.035  -3.181
+  706TIP3    H2 8428   2.542  -4.064  -3.327
+  707TIP3   OH2 8429   1.843  -3.673  -4.158
+  707TIP3    H1 8430   1.780  -3.721  -4.213
+  707TIP3    H2 8431   1.917  -3.657  -4.218
+  708TIP3   OH2 8432   2.902  -2.448  -2.587
+  708TIP3    H1 8433   2.935  -2.422  -2.675
+  708TIP3    H2 8434   2.978  -2.429  -2.529
+  709TIP3   OH2 8435   1.697  -3.195  -2.647
+  709TIP3    H1 8436   1.764  -3.186  -2.576
+  709TIP3    H2 8437   1.616  -3.197  -2.592
+  710TIP3   OH2 8438   2.268  -3.694  -3.375
+  710TIP3    H1 8439   2.341  -3.738  -3.421
+  710TIP3    H2 8440   2.251  -3.755  -3.301
+  711TIP3   OH2 8441   1.783  -4.067  -3.758
+  711TIP3    H1 8442   1.735  -4.151  -3.744
+  711TIP3    H2 8443   1.870  -4.098  -3.786
+  712TIP3   OH2 8444   2.165  -3.848  -3.149
+  712TIP3    H1 8445   2.088  -3.788  -3.149
+  712TIP3    H2 8446   2.214  -3.821  -3.068
+  713TIP3   OH2 8447   2.182  -3.212  -3.960
+  713TIP3    H1 8448   2.104  -3.260  -3.994
+  713TIP3    H2 8449   2.161  -3.204  -3.864
+  714TIP3   OH2 8450   2.902  -3.294  -3.087
+  714TIP3    H1 8451   2.952  -3.239  -3.151
+  714TIP3    H2 8452   2.816  -3.304  -3.133
+  715TIP3   OH2 8453   2.595  -3.924  -4.197
+  715TIP3    H1 8454   2.498  -3.936  -4.186
+  715TIP3    H2 8455   2.618  -3.859  -4.128
+  716TIP3   OH2 8456   2.344  -3.208  -2.828
+  716TIP3    H1 8457   2.314  -3.241  -2.742
+  716TIP3    H2 8458   2.312  -3.116  -2.828
+  717TIP3   OH2 8459   2.657  -3.751  -3.991
+  717TIP3    H1 8460   2.742  -3.766  -3.944
+  717TIP3    H2 8461   2.670  -3.661  -4.028
+  718TIP3   OH2 8462   1.694  -3.270  -3.378
+  718TIP3    H1 8463   1.749  -3.282  -3.457
+  718TIP3    H2 8464   1.702  -3.356  -3.334
+  719TIP3   OH2 8465   2.424  -3.075  -4.070
+  719TIP3    H1 8466   2.396  -2.987  -4.038
+  719TIP3    H2 8467   2.347  -3.129  -4.042
+  720TIP3   OH2 8468   1.419  -3.444  -2.852
+  720TIP3    H1 8469   1.434  -3.487  -2.766
+  720TIP3    H2 8470   1.358  -3.505  -2.897
+  721TIP3   OH2 8471   2.116  -3.493  -2.653
+  721TIP3    H1 8472   2.080  -3.518  -2.740
+  721TIP3    H2 8473   2.209  -3.519  -2.664
+  722TIP3   OH2 8474   2.573  -2.938  -2.882
+  722TIP3    H1 8475   2.476  -2.939  -2.888
+  722TIP3    H2 8476   2.587  -2.922  -2.787
+  723TIP3   OH2 8477   3.128  -3.737  -4.001
+  723TIP3    H1 8478   3.062  -3.754  -4.071
+  723TIP3    H2 8479   3.140  -3.642  -4.016
+  724TIP3   OH2 8480   3.168  -3.142  -2.723
+  724TIP3    H1 8481   3.074  -3.119  -2.743
+  724TIP3    H2 8482   3.201  -3.158  -2.814
+  725TIP3   OH2 8483   2.939  -2.883  -3.994
+  725TIP3    H1 8484   2.928  -2.960  -3.937
+  725TIP3    H2 8485   2.985  -2.920  -4.071
+  726TIP3   OH2 8486   2.667  -3.350  -3.256
+  726TIP3    H1 8487   2.574  -3.366  -3.280
+  726TIP3    H2 8488   2.711  -3.422  -3.305
+  727TIP3   OH2 8489   1.931  -2.943  -3.657
+  727TIP3    H1 8490   1.972  -2.856  -3.665
+  727TIP3    H2 8491   1.838  -2.923  -3.673
+  728TIP3   OH2 8492   1.538  -3.451  -4.199
+  728TIP3    H1 8493   1.592  -3.385  -4.152
+  728TIP3    H2 8494   1.448  -3.431  -4.168
+  729TIP3   OH2 8495   2.113  -3.173  -3.693
+  729TIP3    H1 8496   2.083  -3.082  -3.676
+  729TIP3    H2 8497   2.044  -3.224  -3.648
+  730TIP3   OH2 8498   2.131  -2.747  -3.056
+  730TIP3    H1 8499   2.187  -2.672  -3.082
+  730TIP3    H2 8500   2.191  -2.796  -2.997
+  731TIP3   OH2 8501   1.975  -2.652  -3.735
+  731TIP3    H1 8502   1.879  -2.639  -3.724
+  731TIP3    H2 8503   2.009  -2.565  -3.708
+  732TIP3   OH2 8504   2.471  -3.171  -3.098
+  732TIP3    H1 8505   2.442  -3.200  -3.010
+  732TIP3    H2 8506   2.545  -3.232  -3.115
+  733TIP3   OH2 8507   2.684  -3.043  -4.200
+  733TIP3    H1 8508   2.739  -3.075  -4.126
+  733TIP3    H2 8509   2.597  -3.053  -4.158
+  734TIP3   OH2 8510   2.768  -2.710  -2.864
+  734TIP3    H1 8511   2.693  -2.762  -2.899
+  734TIP3    H2 8512   2.768  -2.633  -2.921
+  735TIP3   OH2 8513   3.174  -2.597  -4.161
+  735TIP3    H1 8514   3.248  -2.535  -4.140
+  735TIP3    H2 8515   3.097  -2.542  -4.137
+  736TIP3   OH2 8516   1.552  -3.961  -2.893
+  736TIP3    H1 8517   1.461  -3.943  -2.924
+  736TIP3    H2 8518   1.536  -4.047  -2.849
+  737TIP3   OH2 8519   2.785  -3.186  -3.970
+  737TIP3    H1 8520   2.760  -3.254  -3.905
+  737TIP3    H2 8521   2.882  -3.184  -3.961
+  738TIP3   OH2 8522   1.528  -2.804  -3.053
+  738TIP3    H1 8523   1.557  -2.894  -3.030
+  738TIP3    H2 8524   1.544  -2.759  -2.969
+  739TIP3   OH2 8525   2.135  -2.940  -4.328
+  739TIP3    H1 8526   2.174  -3.025  -4.354
+  739TIP3    H2 8527   2.082  -2.967  -4.250
+  740TIP3   OH2 8528   1.993  -2.984  -4.076
+  740TIP3    H1 8529   2.043  -3.037  -4.012
+  740TIP3    H2 8530   2.013  -2.893  -4.049
+  741TIP3   OH2 8531   1.679  -3.248  -4.037
+  741TIP3    H1 8532   1.603  -3.207  -3.989
+  741TIP3    H2 8533   1.725  -3.168  -4.067
+  742TIP3   OH2 8534   2.443  -4.009  -3.027
+  742TIP3    H1 8535   2.504  -3.981  -2.958
+  742TIP3    H2 8536   2.405  -4.091  -2.993
+  743TIP3   OH2 8537   2.524  -4.050  -3.923
+  743TIP3    H1 8538   2.538  -3.984  -3.992
+  743TIP3    H2 8539   2.557  -4.003  -3.845
+  744TIP3   OH2 8540   2.287  -2.827  -4.029
+  744TIP3    H1 8541   2.210  -2.774  -4.001
+  744TIP3    H2 8542   2.340  -2.760  -4.074
+  745TIP3   OH2 8543   2.254  -3.850  -3.812
+  745TIP3    H1 8544   2.329  -3.789  -3.797
+  745TIP3    H2 8545   2.223  -3.866  -3.721
+  746TIP3   OH2 8546   2.288  -3.761  -2.901
+  746TIP3    H1 8547   2.295  -3.709  -2.818
+  746TIP3    H2 8548   2.345  -3.837  -2.881
+  747TIP3   OH2 8549   2.330  -4.171  -3.712
+  747TIP3    H1 8550   2.295  -4.096  -3.661
+  747TIP3    H2 8551   2.381  -4.126  -3.781
+  748TIP3   OH2 8552   2.007  -2.707  -4.025
+  748TIP3    H1 8553   2.012  -2.621  -4.072
+  748TIP3    H2 8554   1.994  -2.679  -3.932
+  749TIP3   OH2 8555   1.882  -4.043  -4.076
+  749TIP3    H1 8556   1.875  -3.968  -4.016
+  749TIP3    H2 8557   1.965  -4.083  -4.044
+  750TIP3   OH2 8558   2.926  -3.964  -2.818
+  750TIP3    H1 8559   2.829  -3.952  -2.827
+  750TIP3    H2 8560   2.946  -3.988  -2.909
+  751TIP3   OH2 8561   2.767  -3.574  -3.409
+  751TIP3    H1 8562   2.685  -3.620  -3.435
+  751TIP3    H2 8563   2.816  -3.645  -3.362
+  752TIP3   OH2 8564   1.719  -2.950  -4.157
+  752TIP3    H1 8565   1.802  -2.922  -4.113
+  752TIP3    H2 8566   1.756  -3.002  -4.230
+  753TIP3   OH2 8567   1.547  -3.734  -4.257
+  753TIP3    H1 8568   1.558  -3.638  -4.239
+  753TIP3    H2 8569   1.455  -3.736  -4.289
+  754TIP3   OH2 8570   2.864  -2.678  -3.252
+  754TIP3    H1 8571   2.850  -2.603  -3.312
+  754TIP3    H2 8572   2.960  -2.673  -3.239
+  755TIP3   OH2 8573   1.551  -4.241  -3.353
+  755TIP3    H1 8574   1.591  -4.245  -3.440
+  755TIP3    H2 8575   1.568  -4.332  -3.323
+  756TIP3   OH2 8576   1.519  -2.886  -3.747
+  756TIP3    H1 8577   1.440  -2.836  -3.724
+  756TIP3    H2 8578   1.556  -2.835  -3.820
+  757TIP3   OH2 8579   1.458  -2.596  -2.625
+  757TIP3    H1 8580   1.515  -2.624  -2.551
+  757TIP3    H2 8581   1.419  -2.681  -2.653
+  758TIP3   OH2 8582   1.928  -2.692  -2.451
+  758TIP3    H1 8583   1.998  -2.755  -2.428
+  758TIP3    H2 8584   1.906  -2.719  -2.542
+  759TIP3   OH2 8585   2.353  -2.756  -4.330
+  759TIP3    H1 8586   2.273  -2.812  -4.325
+  759TIP3    H2 8587   2.419  -2.822  -4.356
+  760TIP3   OH2 8588   2.581  -2.867  -2.595
+  760TIP3    H1 8589   2.538  -2.945  -2.555
+  760TIP3    H2 8590   2.646  -2.843  -2.527
+  761TIP3   OH2 8591   2.707  -2.817   4.312
+  761TIP3    H1 8592   2.706  -2.891   4.374
+  761TIP3    H2 8593   2.796  -2.821   4.276
+  762TIP3   OH2 8594   1.456  -3.235  -2.517
+  762TIP3    H1 8595   1.464  -3.326  -2.550
+  762TIP3    H2 8596   1.378  -3.204  -2.567
+  763TIP3   OH2 8597   1.881  -3.180  -4.308
+  763TIP3    H1 8598   1.898  -3.245  -4.239
+  763TIP3    H2 8599   1.954  -3.194  -4.370
+  764TIP3   OH2 8600   2.121  -3.216  -2.583
+  764TIP3    H1 8601   2.087  -3.183  -2.668
+  764TIP3    H2 8602   2.125  -3.312  -2.598
+  765TIP3   OH2 8603   2.410  -3.077  -4.347
+  765TIP3    H1 8604   2.425  -3.062  -4.252
+  765TIP3    H2 8605   2.476  -3.144  -4.368
+  766TIP3   OH2 8606   2.656  -3.254  -2.844
+  766TIP3    H1 8607   2.733  -3.199  -2.863
+  766TIP3    H2 8608   2.585  -3.188  -2.843
+  767TIP3   OH2 8609   1.542  -3.522  -2.600
+  767TIP3    H1 8610   1.615  -3.586  -2.597
+  767TIP3    H2 8611   1.536  -3.499  -2.506
+  768TIP3   OH2 8612   1.984  -3.384  -4.091
+  768TIP3    H1 8613   1.922  -3.428  -4.030
+  768TIP3    H2 8614   2.018  -3.459  -4.143
+  769TIP3   OH2 8615   1.908  -3.609  -2.855
+  769TIP3    H1 8616   1.853  -3.531  -2.836
+  769TIP3    H2 8617   1.972  -3.572  -2.919
+  770TIP3   OH2 8618   2.103  -3.575  -4.273
+  770TIP3    H1 8619   2.106  -3.598  -4.367
+  770TIP3    H2 8620   2.199  -3.577  -4.251
+  771TIP3   OH2 8621   2.437  -3.338  -2.502
+  771TIP3    H1 8622   2.528  -3.356  -2.530
+  771TIP3    H2 8623   2.413  -3.421  -2.459
+  772TIP3   OH2 8624   1.967  -3.878  -2.746
+  772TIP3    H1 8625   1.974  -3.944  -2.817
+  772TIP3    H2 8626   1.945  -3.797  -2.795
+  773TIP3   OH2 8627   2.005  -4.038  -3.003
+  773TIP3    H1 8628   2.056  -3.982  -3.064
+  773TIP3    H2 8629   1.913  -4.027  -3.037
+  774TIP3   OH2 8630   2.155  -3.488  -2.957
+  774TIP3    H1 8631   2.239  -3.495  -3.005
+  774TIP3    H2 8632   2.123  -3.400  -2.987
+  775TIP3   OH2 8633   2.611  -3.693  -2.480
+  775TIP3    H1 8634   2.633  -3.786  -2.463
+  775TIP3    H2 8635   2.699  -3.652  -2.483
+  776TIP3   OH2 8636   2.711  -3.416  -2.631
+  776TIP3    H1 8637   2.675  -3.354  -2.698
+  776TIP3    H2 8638   2.801  -3.428  -2.667
+  777TIP3   OH2 8639   1.789  -3.697  -2.561
+  777TIP3    H1 8640   1.736  -3.777  -2.561
+  777TIP3    H2 8641   1.869  -3.726  -2.608
+  778TIP3   OH2 8642   2.053  -4.278  -2.881
+  778TIP3    H1 8643   2.063  -4.187  -2.916
+  778TIP3    H2 8644   1.960  -4.293  -2.903
+  779TIP3   OH2 8645   2.201  -3.845  -2.586
+  779TIP3    H1 8646   2.168  -3.871  -2.498
+  779TIP3    H2 8647   2.120  -3.863  -2.638
+  780TIP3   OH2 8648   2.458  -3.945  -2.688
+  780TIP3    H1 8649   2.369  -3.929  -2.652
+  780TIP3    H2 8650   2.493  -4.009  -2.623
+  781TIP3   OH2 8651   2.642  -4.139  -2.513
+  781TIP3    H1 8652   2.610  -4.224  -2.480
+  781TIP3    H2 8653   2.616  -4.077  -2.442
+  782TIP3   OH2 8654   1.668  -3.961  -2.575
+  782TIP3    H1 8655   1.640  -4.020  -2.646
+  782TIP3    H2 8656   1.621  -3.997  -2.498
+  783TIP3   OH2 8657   2.163  -4.146  -2.475
+  783TIP3    H1 8658   2.139  -4.228  -2.522
+  783TIP3    H2 8659   2.078  -4.099  -2.469
+  784TIP3   OH2 8660   2.063  -2.458  -4.171
+  784TIP3    H1 8661   2.159  -2.448  -4.163
+  784TIP3    H2 8662   2.040  -2.398  -4.243
+  785TIP3   OH2 8663   1.449  -3.052  -4.194
+  785TIP3    H1 8664   1.539  -3.016  -4.199
+  785TIP3    H2 8665   1.441  -3.105  -4.275
+  786TIP3   OH2 8666   1.351  -2.501  -3.720
+  786TIP3    H1 8667   1.279  -2.537  -3.776
+  786TIP3    H2 8668   1.356  -2.569  -3.650
+  787TIP3   OH2 8669   1.388  -2.698  -3.520
+  787TIP3    H1 8670   1.358  -2.785  -3.489
+  787TIP3    H2 8671   1.420  -2.662  -3.436
+  788TIP3   OH2 8672   3.138  -2.550  -3.204
+  788TIP3    H1 8673   3.172  -2.581  -3.119
+  788TIP3    H2 8674   3.218  -2.548  -3.258
+  789TIP3   OH2 8675   3.128  -2.618  -2.920
+  789TIP3    H1 8676   3.079  -2.692  -2.962
+  789TIP3    H2 8677   3.186  -2.671  -2.862
+  790TIP3   OH2 8678   2.931  -3.085  -2.502
+  790TIP3    H1 8679   2.842  -3.076  -2.462
+  790TIP3    H2 8680   2.976  -3.005  -2.471
+  791TIP3   OH2 8681   3.070  -3.202  -3.931
+  791TIP3    H1 8682   3.158  -3.160  -3.919
+  791TIP3    H2 8683   3.071  -3.263  -3.855
+  792TIP3   OH2 8684   3.116  -3.403  -3.734
+  792TIP3    H1 8685   3.051  -3.457  -3.686
+  792TIP3    H2 8686   3.185  -3.386  -3.666
+  793TIP3   OH2 8687   3.087  -3.149  -3.235
+  793TIP3    H1 8688   3.151  -3.197  -3.291
+  793TIP3    H2 8689   3.108  -3.057  -3.260
+  794TIP3   OH2 8690   2.963  -2.857  -3.009
+  794TIP3    H1 8691   2.889  -2.818  -2.960
+  794TIP3    H2 8692   2.920  -2.895  -3.087
+  795TIP3   OH2 8693   3.142  -3.436  -4.108
+  795TIP3    H1 8694   3.084  -3.399  -4.176
+  795TIP3    H2 8695   3.128  -3.370  -4.037
+  796TIP3   OH2 8696   2.963  -3.697  -4.220
+  796TIP3    H1 8697   2.999  -3.621  -4.268
+  796TIP3    H2 8698   3.011  -3.770  -4.260
+  797TIP3   OH2 8699   2.909  -3.586  -3.650
+  797TIP3    H1 8700   2.900  -3.681  -3.665
+  797TIP3    H2 8701   2.872  -3.576  -3.560
+  798TIP3   OH2 8702   1.395  -3.364  -3.280
+  798TIP3    H1 8703   1.420  -3.359  -3.374
+  798TIP3    H2 8704   1.481  -3.386  -3.239
+  799TIP3   OH2 8705   2.971  -3.393  -2.734
+  799TIP3    H1 8706   3.046  -3.454  -2.719
+  799TIP3    H2 8707   3.016  -3.310  -2.755
+  800TIP3   OH2 8708   3.126  -3.584  -2.613
+  800TIP3    H1 8709   3.047  -3.636  -2.637
+  800TIP3    H2 8710   3.196  -3.652  -2.616
+  801TIP3   OH2 8711   2.891  -4.023  -4.341
+  801TIP3    H1 8712   2.950  -4.044  -4.267
+  801TIP3    H2 8713   2.803  -4.044  -4.306
+  802TIP3   OH2 8714   2.886  -3.827  -3.837
+  802TIP3    H1 8715   2.908  -3.922  -3.828
+  802TIP3    H2 8716   2.971  -3.792  -3.870
+  803TIP3   OH2 8717   2.920  -3.774  -3.292
+  803TIP3    H1 8718   3.017  -3.767  -3.294
+  803TIP3    H2 8719   2.905  -3.775  -3.196
+  804TIP3   OH2 8720   2.934  -3.706  -3.006
+  804TIP3    H1 8721   2.850  -3.664  -2.980
+  804TIP3    H2 8722   2.989  -3.629  -3.028
+  805TIP3   OH2 8723   1.381  -3.835  -2.626
+  805TIP3    H1 8724   1.472  -3.859  -2.645
+  805TIP3    H2 8725   1.336  -3.921  -2.630
+  806TIP3   OH2 8726   3.142  -4.281  -2.433
+  806TIP3    H1 8727   3.214  -4.345  -2.447
+  806TIP3    H2 8728   3.151  -4.217  -2.507
+  807TIP3   OH2 8729   2.924  -4.097  -3.823
+  807TIP3    H1 8730   2.948  -4.146  -3.743
+  807TIP3    H2 8731   2.862  -4.159  -3.865
+  808TIP3   OH2 8732   1.456  -3.989  -3.362
+  808TIP3    H1 8733   1.486  -4.082  -3.350
+  808TIP3    H2 8734   1.530  -3.940  -3.322
+  809TIP3   OH2 8735   1.317  -3.729  -3.256
+  809TIP3    H1 8736   1.375  -3.733  -3.334
+  809TIP3    H2 8737   1.354  -3.653  -3.209
+  810TIP3   OH2 8738   3.129  -4.111  -2.644
+  810TIP3    H1 8739   3.044  -4.063  -2.638
+  810TIP3    H2 8740   3.121  -4.147  -2.735
+  811TIP3   OH2 8741   3.141  -4.072  -4.176
+  811TIP3    H1 8742   3.170  -4.146  -4.231
+  811TIP3    H2 8743   3.222  -4.019  -4.169
+  812TIP3   OH2 8744   1.372  -4.098  -3.851
+  812TIP3    H1 8745   1.276  -4.098  -3.871
+  812TIP3    H2 8746   1.408  -4.032  -3.913
+  813TIP3   OH2 8747   2.829  -2.570  -3.640
+  813TIP3    H1 8748   2.877  -2.596  -3.720
+  813TIP3    H2 8749   2.901  -2.532  -3.588
+  814TIP3   OH2 8750   1.349  -4.126  -3.000
+  814TIP3    H1 8751   1.349  -4.220  -2.973
+  814TIP3    H2 8752   1.325  -4.134  -3.093
+  815TIP3   OH2 8753   1.570  -2.897  -2.568
+  815TIP3    H1 8754   1.496  -2.896  -2.630
+  815TIP3    H2 8755   1.526  -2.900  -2.482
+  816TIP3   OH2 8756   1.854  -2.800  -3.001
+  816TIP3    H1 8757   1.822  -2.714  -3.033
+  816TIP3    H2 8758   1.950  -2.789  -3.018
+  817TIP3   OH2 8759   2.306  -2.670  -2.699
+  817TIP3    H1 8760   2.316  -2.685  -2.603
+  817TIP3    H2 8761   2.389  -2.623  -2.720
+  818TIP3   OH2 8762   2.537  -2.516  -2.776
+  818TIP3    H1 8763   2.601  -2.587  -2.796
+  818TIP3    H2 8764   2.563  -2.492  -2.685
+  819TIP3   OH2 8765   2.993  -4.277  -2.854
+  819TIP3    H1 8766   2.943  -4.214  -2.908
+  819TIP3    H2 8767   3.010  -4.345  -2.921
+  820TIP3   OH2 8768   1.590  -2.506  -2.968
+  820TIP3    H1 8769   1.531  -2.443  -3.012
+  820TIP3    H2 8770   1.566  -2.490  -2.876
+  821TIP3   OH2 8771   1.841  -2.524  -3.111
+  821TIP3    H1 8772   1.756  -2.509  -3.066
+  821TIP3    H2 8773   1.840  -2.454  -3.178
+  822TIP3   OH2 8774   2.318  -2.526  -3.155
+  822TIP3    H1 8775   2.278  -2.481  -3.232
+  822TIP3    H2 8776   2.323  -2.453  -3.091
+  823TIP3   OH2 8777   2.557  -2.644  -3.065
+  823TIP3    H1 8778   2.468  -2.620  -3.097
+  823TIP3    H2 8779   2.603  -2.559  -3.071
+  824TIP3   OH2 8780   2.805  -2.434  -3.059
+  824TIP3    H1 8781   2.781  -2.366  -3.123
+  824TIP3    H2 8782   2.831  -2.504  -3.122
+  825TIP3   OH2 8783   1.552  -2.622  -3.273
+  825TIP3    H1 8784   1.546  -2.669  -3.188
+  825TIP3    H2 8785   1.627  -2.668  -3.315
+  826TIP3   OH2 8786   1.753  -2.749  -3.431
+  826TIP3    H1 8787   1.735  -2.841  -3.401
+  826TIP3    H2 8788   1.843  -2.734  -3.395
+  827TIP3   OH2 8789   2.029  -2.700  -3.339
+  827TIP3    H1 8790   2.046  -2.794  -3.361
+  827TIP3    H2 8791   2.034  -2.704  -3.243
+  828TIP3   OH2 8792   2.357  -4.112  -3.411
+  828TIP3    H1 8793   2.295  -4.182  -3.382
+  828TIP3    H2 8794   2.417  -4.162  -3.469
+  829TIP3   OH2 8795   2.886  -4.329  -3.364
+  829TIP3    H1 8796   2.945  -4.288  -3.430
+  829TIP3    H2 8797   2.798  -4.306  -3.396
+  830TIP3   OH2 8798   3.081  -4.225  -3.583
+  830TIP3    H1 8799   3.134  -4.246  -3.660
+  830TIP3    H2 8800   3.100  -4.130  -3.569
+  831TIP3   OH2 8801   1.594  -4.284  -3.682
+  831TIP3    H1 8802   1.500  -4.300  -3.697
+  831TIP3    H2 8803   1.624  -4.366  -3.641
+  832TIP3   OH2 8804   1.456  -4.282  -4.068
+  832TIP3    H1 8805   1.505  -4.228  -4.133
+  832TIP3    H2 8806   1.416  -4.214  -4.012
+  833TIP3   OH2 8807   2.043  -4.231  -3.658
+  833TIP3    H1 8808   2.139  -4.234  -3.669
+  833TIP3    H2 8809   2.027  -4.290  -3.583
+  834TIP3   OH2 8810   2.598  -4.265  -3.515
+  834TIP3    H1 8811   2.630  -4.263  -3.606
+  834TIP3    H2 8812   2.583  -4.359  -3.499
+  835TIP3   OH2 8813   2.705  -4.271  -3.917
+  835TIP3    H1 8814   2.631  -4.214  -3.943
+  835TIP3    H2 8815   2.667  -4.359  -3.919
+  836TIP3   OH2 8816   1.483  -2.695  -3.966
+  836TIP3    H1 8817   1.411  -2.698  -4.032
+  836TIP3    H2 8818   1.482  -2.602  -3.942
+  837TIP3   OH2 8819   1.642  -4.121  -4.226
+  837TIP3    H1 8820   1.705  -4.164  -4.285
+  837TIP3    H2 8821   1.702  -4.062  -4.176
+  838TIP3   OH2 8822   2.166  -4.057  -3.986
+  838TIP3    H1 8823   2.176  -4.142  -3.939
+  838TIP3    H2 8824   2.185  -3.991  -3.917
+  839TIP3   OH2 8825   2.349  -2.529  -4.147
+  839TIP3    H1 8826   2.447  -2.517  -4.139
+  839TIP3    H2 8827   2.347  -2.591  -4.222
+  840TIP3   OH2 8828   3.022  -2.615  -3.880
+  840TIP3    H1 8829   2.994  -2.697  -3.926
+  840TIP3    H2 8830   3.000  -2.546  -3.945
+  841TIP3   OH2 8831   1.556  -4.178  -2.731
+  841TIP3    H1 8832   1.509  -4.257  -2.701
+  841TIP3    H2 8833   1.644  -4.216  -2.743
+  842TIP3   OH2 8834   1.849  -4.279  -2.468
+  842TIP3    H1 8835   1.936  -4.306  -2.506
+  842TIP3    H2 8836   1.824  -4.357  -2.417
+  843TIP3   OH2 8837   1.685  -2.587  -4.232
+  843TIP3    H1 8838   1.639  -2.565  -4.150
+  843TIP3    H2 8839   1.745  -2.657  -4.206
+  844TIP3   OH2 8840   2.963  -2.735  -2.643
+  844TIP3    H1 8841   2.889  -2.757  -2.703
+  844TIP3    H2 8842   2.939  -2.644  -2.617
+  845TIP3   OH2 8843   4.215  -3.463  -3.312