Mercurial > repos > marcel > caddsuite_linux_x86_64
annotate CADDSuite-1.5/data/Amber/amber96-docking.ini @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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1 ; This file contains parameter needed for nonbonded ScoringComponents. |
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2 ; The parameters were converted from parm96.dat using amber2ini and all sections for bonded parameters were removed since are not needed for docking. |
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3 ; Furthermore, lennard-jones and AtomType parameters for some metal ions were obtained from the sources indicated in the comment column and added to this file. |
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4 |
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5 [Options] |
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6 key:0 |
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7 @SCEE=1.2 |
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8 ; please check the settings for SCEE! AMBER91/89a requires a value of 2.0 here! |
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9 |
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10 |
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11 |
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12 |
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13 [HydrophilicTypes] |
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14 ; ignored |
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15 ; |
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16 C H HO N NA NB NC N2 NT N2 N3 N* O OH OS P O2 |
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17 |
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18 |
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19 [HydrogenBonds] |
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20 ver:version key:I key:J value:A value:B |
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21 @unit_A=kcal/mol*A^12 |
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22 @unit_B=kcal/mol*A^10 |
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23 ; |
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24 ; |
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25 ; Rev I J A B |
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26 ; --- --- --- ---------- ---------- |
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27 1.0 HW OW 0.0000 0.0000 |
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28 |
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29 |
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30 [AtomTypes] |
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31 value:ver key:type value:mass value:comment |
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32 @unit=g/mol |
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33 ; |
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34 ; |
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35 ; Rev Type mass comment |
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36 ; --- ---- ---------- ---------------------------------- |
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37 1.0 BR 79.90000 "bromine" |
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38 1.0 C 12.01000 "sp2 C carbonyl group " |
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39 1.0 F 19.00000 "fluorine" |
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40 1.0 I 126.90000 "iodine" |
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41 1.0 H 1.00800 "H bonded to nitrogen atoms" |
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42 1.0 IM 35.45000 "assumed to be Cl-" |
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43 1.0 IP 22.99000 "assumed to be Na+" |
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44 1.0 IB 131.00000 "'big ion w/ waters' for vacuum (Na+, 6H2O)" |
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45 1.0 N 14.01000 "sp2 nitrogen in amide groups" |
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46 1.0 O 16.00000 "carbonyl group oxygen" |
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47 1.0 P 30.97000 "phosphate" |
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48 1.0 S 32.06000 "sulphur in disulfide linkage" |
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49 1.0 Cu 63.55000 "copper" |
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50 1.0 Fe 55.00000 "iron" |
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51 1.0 Li 6.94000 "lithium" |
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52 1.0 K 39.10000 "potassium" |
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53 1.0 Rb 85.47000 "rubidium" |
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54 1.0 Cs 132.91000 "cesium" |
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55 ant Cl 35.450 "same as cl" |
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56 2.0 Ca 40.08000 "calcium" |
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57 1.0 Mg 24.30500 "magnesium" |
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58 ant Zn 65.4 "Zn2+, taken from parm99.dat (antechamber)" |
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59 |
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60 |
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61 [LennardJones] |
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62 ver:version key:I value:R value:epsilon |
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63 @unit_R=Angstrom |
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64 @unit_epsilon=kcal/mol |
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65 @format=RE |
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66 ; |
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67 ; |
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68 ; Rev I R epsilon comment |
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69 ; --- --- ---------- ---------- ------------------------- |
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70 1.0 Ca 1.600000 0.100000 " calcium from parm91.dat" |
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71 1.0 H 0.600000 0.015700 " !Ferguson base pair geom." |
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72 1.0 O 1.661200 0.210000 " OPLS" |
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73 1.0 C 1.908000 0.086000 " OPLS" |
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74 1.0 N 1.824000 0.170000 " OPLS" |
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75 1.0 S 2.000000 0.250000 " W. Cornell CH3SH and CH3SCH3 FEP's" |
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76 1.0 P 2.100000 0.200000 " JCC,7,(1986),230;" |
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77 1.0 IM 2.470000 0.100000 " Cl- Smith & Dang, JCP 1994,100:5,3757" |
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78 1.0 IB 5.000000 0.100000 " solvated ion for vacuum approximation" |
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79 1.0 Li 1.137000 0.018300 " Li+ Aqvist JPC 1990,94,8021. (adapted)" |
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80 1.0 IP 1.868000 0.002770 " Na+ Aqvist JPC 1990,94,8021. (adapted)" |
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81 1.0 K 2.658000 0.000328 " K+ Aqvist JPC 1990,94,8021. (adapted)" |
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82 1.0 Rb 2.956000 0.000170 " Rb+ Aqvist JPC 1990,94,8021. (adapted)" |
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83 1.0 Cs 3.395000 0.000081 " Cs+ Aqvist JPC 1990,94,8021. (adapted)" |
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84 1.0 I 2.350000 0.400000 " JCC,7,(1986),230;" |
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85 1.0 F 1.750000 0.061000 " Gough et al. JCC 13,(1992),963." |
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86 ant Cl 2.47 0.1 " Cl- Smith & Dang, JCP 1994,100:5,3757, taken from parm99.dat (antechamber)" |
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87 ant Zn 1.10 0.0125 " Zn2+, Merz,PAK, JACS,113,8262,(1991), taken from parm99.dat (antechamber)" |
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88 ant Mg 0.7926 0.8947 " Mg2+ Aqvist JPC 1990,94,8021.(adapted), taken from parm99.dat (antechamber)" |
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89 ; ant Cl 1.9480 0.2650 "same as cl" |
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90 ; 1.0 Mg 1.170000 0.100000 " magnesium from parm91.dat" |
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91 |
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92 |
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93 [ResidueImproperTorsions] |
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94 key:name |
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95 ; |
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96 ; |
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97 ; res:atom |
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98 ; ------------- |
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99 ALA:N |
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100 ALA:C |
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101 GLY:N |
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102 GLY:C |
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103 SER:N |
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104 SER:C |
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105 THR:N |
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106 THR:C |
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107 LEU:N |
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108 LEU:C |
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109 ILE:N |
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110 ILE:C |
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111 VAL:N |
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112 VAL:C |
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113 ASN:N |
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114 ASN:C |
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115 ASN:CG |
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116 ASN:ND2 |
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117 GLN:N |
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118 GLN:C |
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119 GLN:CD |
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120 GLN:NE2 |
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121 ARG:N |
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122 ARG:C |
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123 ARG:CZ |
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124 ARG:NE |
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125 ARG:NH1 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
126 ARG:NH2 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
127 HIS:N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
128 HIS:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
129 HIS:ND1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
130 HIS:CD2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
131 HIS:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
132 HIS:CG |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
133 HIS:N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
134 HIS:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
135 HIS:NE2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
136 HIS:CD2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
137 HIS:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
138 HIS:CG |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
139 HIS:N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
140 HIS:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
141 HIS:ND1 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
142 HIS:NE2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
143 HIS:CD2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
144 HIS:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
145 HIS:CG |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
146 TRP:N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
147 TRP:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
148 TRP:NE1 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
149 TRP:CZ2 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
150 TRP:CH2 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
151 TRP:CZ3 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
152 TRP:CE3 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
153 TRP:CD1 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
154 TRP:CG |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
155 PHE:N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
156 PHE:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
157 PHE:CD2 |
ac342506cd4e
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
158 PHE:CE2 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
159 PHE:CZ |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
160 PHE:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
161 PHE:CD1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
162 PHE:CG |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
163 TYR:N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
164 TYR:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
165 TYR:CD2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
166 TYR:CE2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
167 TYR:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
168 TYR:CD1 |
ac342506cd4e
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
169 TYR:CG |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
170 TYR:CZ |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
171 GLU:N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
172 GLU:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
173 GLU:CD |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
174 ASP:N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
175 ASP:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
176 ASP:CG |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
177 LYS:N |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
178 LYS:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
179 LYN:N |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
180 LYN:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
181 PRO:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
182 PRO:N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
183 CYS:N |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
184 CYS:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
185 CYM:N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
186 CYM:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
187 CYS-S:N |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
188 CYS-S:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
189 MET:N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
190 MET:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
191 ACE:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
192 NME:N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
193 ASH:N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
194 ASH:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
195 ASH:CG |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
196 GLH:N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
197 GLH:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
198 GLH:CD |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
199 ALA-N:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
200 GLY-N:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
201 SER-N:C |
ac342506cd4e
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
202 THR-N:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
203 LEU-N:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
204 ILE-N:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
205 VAL-N:C |
ac342506cd4e
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
206 ASN-N:C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
207 ASN-N:CG |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
208 ASN-N:ND2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
209 GLN-N:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
210 GLN-N:CD |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
211 GLN-N:NE2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
212 ARG-N:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
213 ARG-N:CZ |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
214 ARG-N:NE |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
215 ARG-N:NH1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
216 ARG-N:NH2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
217 HIS-N:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
218 HIS-N:ND1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
219 HIS-N:CD2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
220 HIS-N:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
221 HIS-N:CG |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
222 HIS-N:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
223 HIS-N:NE2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
224 HIS-N:CD2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
225 HIS-N:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
226 HIS-N:CG |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
227 HIS-N:C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
228 HIS-N:ND1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
229 HIS-N:NE2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
230 HIS-N:CD2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
231 HIS-N:CE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
232 HIS-N:CG |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
233 TRP-N:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
234 TRP-N:NE1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
235 TRP-N:CZ2 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
236 TRP-N:CH2 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
237 TRP-N:CZ3 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
238 TRP-N:CE3 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
239 TRP-N:CD1 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
240 TRP-N:CG |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
241 PHE-N:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
242 PHE-N:CD2 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
243 PHE-N:CE2 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
244 PHE-N:CZ |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
245 PHE-N:CE1 |
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Marcel Schumann <schumann.marcel@gmail.com>
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246 PHE-N:CD1 |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
247 PHE-N:CG |
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parents:
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|
248 TYR-N:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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249 TYR-N:CD2 |
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Marcel Schumann <schumann.marcel@gmail.com>
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250 TYR-N:CE2 |
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251 TYR-N:CE1 |
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252 TYR-N:CD1 |
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253 TYR-N:CG |
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254 TYR-N:CZ |
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parents:
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|
255 GLU-N:C |
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parents:
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|
256 GLU-N:CD |
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|
257 ASP-N:C |
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|
258 ASP-N:CG |
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parents:
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|
259 LYS-N:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
260 PRO-N:C |
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
261 CYS-N:C |
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parents:
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|
262 CYS-NS:C |
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parents:
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|
263 MET-N:C |
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264 ALA-C:N |
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265 ALA-C:C |
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266 GLY-C:N |
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267 GLY-C:C |
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268 SER-C:N |
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269 SER-C:C |
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270 THR-C:N |
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271 THR-C:C |
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272 LEU-C:N |
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273 LEU-C:C |
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274 ILE-C:N |
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275 ILE-C:C |
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276 VAL-C:N |
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277 VAL-C:C |
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278 ASN-C:N |
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279 ASN-C:C |
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280 ASN-C:CG |
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281 ASN-C:ND2 |
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282 GLN-C:N |
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283 GLN-C:C |
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284 GLN-C:CD |
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285 GLN-C:NE2 |
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286 ARG-C:N |
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287 ARG-C:C |
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288 ARG-C:CZ |
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289 ARG-C:NE |
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290 ARG-C:NH1 |
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291 ARG-C:NH2 |
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292 HIS-C:N |
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293 HIS-C:C |
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294 HIS-C:ND1 |
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295 HIS-C:CD2 |
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296 HIS-C:CE1 |
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297 HIS-C:CG |
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298 HIS-C:N |
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299 HIS-C:C |
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300 HIS-C:NE2 |
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301 HIS-C:CD2 |
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302 HIS-C:CE1 |
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303 HIS-C:CG |
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304 HIS-C:N |
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305 HIS-C:C |
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306 HIS-C:ND1 |
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307 HIS-C:NE2 |
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308 HIS-C:CD2 |
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309 HIS-C:CE1 |
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310 HIS-C:CG |
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311 TRP-C:N |
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312 TRP-C:C |
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313 TRP-C:NE1 |
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314 TRP-C:CZ2 |
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315 TRP-C:CH2 |
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316 TRP-C:CZ3 |
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317 TRP-C:CE3 |
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318 TRP-C:CD1 |
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319 TRP-C:CG |
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320 PHE-C:N |
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321 PHE-C:C |
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322 PHE-C:CD2 |
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323 PHE-C:CE2 |
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324 PHE-C:CZ |
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325 PHE-C:CE1 |
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326 PHE-C:CD1 |
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327 PHE-C:CG |
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328 TYR-C:N |
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329 TYR-C:C |
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330 TYR-C:CD2 |
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331 TYR-C:CE2 |
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332 TYR-C:CE1 |
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333 TYR-C:CD1 |
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334 TYR-C:CG |
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335 TYR-C:CZ |
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336 GLU-C:N |
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337 GLU-C:C |
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338 GLU-C:CD |
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339 ASP-C:N |
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340 ASP-C:C |
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341 ASP-C:CG |
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342 LYS-C:N |
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343 LYS-C:C |
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344 PRO-C:C |
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345 PRO-C:N |
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346 CYS-C:N |
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347 CYS-C:C |
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348 CYS-CS:N |
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349 CYS-CS:C |
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350 MET-C:N |
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351 MET-C:C |
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352 |
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353 [ChargesAndTypeNames] |
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354 ver:version key:name value:q value:type |
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355 @unit_q=e0 |
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356 1.0 ALA:N -0.41570 N |
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357 1.0 ALA:H 0.27190 H |
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358 1.0 ALA:CA 0.03370 CT |
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359 1.0 ALA:HA 0.08230 H1 |
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360 1.0 ALA:CB -0.18250 CT |
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361 1.0 ALA:1HB 0.06030 HC |
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362 1.0 ALA:2HB 0.06030 HC |
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363 1.0 ALA:3HB 0.06030 HC |
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364 1.0 ALA:C 0.59730 C |
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365 1.0 ALA:O -0.56790 O |
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366 1.0 GLY:N -0.41570 N |
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367 1.0 GLY:H 0.27190 H |
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368 1.0 GLY:CA -0.02520 CT |
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369 1.0 GLY:1HA 0.06980 H1 |
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370 1.0 GLY:2HA 0.06980 H1 |
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371 1.0 GLY:C 0.59730 C |
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372 1.0 GLY:O -0.56790 O |
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373 1.0 SER:N -0.41570 N |
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374 1.0 SER:H 0.27190 H |
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375 1.0 SER:CA -0.02490 CT |
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376 1.0 SER:HA 0.08430 H1 |
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377 1.0 SER:CB 0.21170 CT |
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378 1.0 SER:1HB 0.03520 H1 |
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379 1.0 SER:2HB 0.03520 H1 |
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380 1.0 SER:OG -0.65460 OH |
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381 1.0 SER:HG 0.42750 HO |
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382 1.0 SER:C 0.59730 C |
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383 1.0 SER:O -0.56790 O |
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384 1.0 THR:N -0.41570 N |
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385 1.0 THR:H 0.27190 H |
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386 1.0 THR:CA -0.03890 CT |
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387 1.0 THR:HA 0.10070 H1 |
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388 1.0 THR:CB 0.36540 CT |
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389 1.0 THR:HB 0.00430 H1 |
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390 1.0 THR:CG2 -0.24380 CT |
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391 1.0 THR:1HG2 0.06420 HC |
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392 1.0 THR:2HG2 0.06420 HC |
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393 1.0 THR:3HG2 0.06420 HC |
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394 1.0 THR:OG1 -0.67610 OH |
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changeset
|
395 1.0 THR:HG1 0.41020 HO |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
396 1.0 THR:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
397 1.0 THR:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
398 1.0 LEU:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
399 1.0 LEU:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
400 1.0 LEU:CA -0.05180 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
401 1.0 LEU:HA 0.09220 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
402 1.0 LEU:CB -0.11020 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
403 1.0 LEU:1HB 0.04570 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
404 1.0 LEU:2HB 0.04570 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
405 1.0 LEU:CG 0.35310 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
406 1.0 LEU:HG -0.03610 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
407 1.0 LEU:CD1 -0.41210 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
408 1.0 LEU:1HD1 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
409 1.0 LEU:2HD1 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
410 1.0 LEU:3HD1 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
411 1.0 LEU:CD2 -0.41210 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
412 1.0 LEU:1HD2 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
413 1.0 LEU:2HD2 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
414 1.0 LEU:3HD2 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
415 1.0 LEU:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
416 1.0 LEU:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
417 1.0 ILE:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
418 1.0 ILE:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
419 1.0 ILE:CA -0.05970 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
420 1.0 ILE:HA 0.08690 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
421 1.0 ILE:CB 0.13030 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
422 1.0 ILE:HB 0.01870 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
423 1.0 ILE:CG2 -0.32040 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
424 1.0 ILE:1HG2 0.08820 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
425 1.0 ILE:2HG2 0.08820 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
426 1.0 ILE:3HG2 0.08820 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
427 1.0 ILE:CG1 -0.04300 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
428 1.0 ILE:1HG1 0.02360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
429 1.0 ILE:2HG1 0.02360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
430 1.0 ILE:CD1 -0.06600 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
431 1.0 ILE:1HD1 0.01860 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
432 1.0 ILE:2HD1 0.01860 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
433 1.0 ILE:3HD1 0.01860 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
434 1.0 ILE:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
435 1.0 ILE:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
436 1.0 VAL:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
437 1.0 VAL:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
438 1.0 VAL:CA -0.08750 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
439 1.0 VAL:HA 0.09690 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
440 1.0 VAL:CB 0.29850 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
441 1.0 VAL:HB -0.02970 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
442 1.0 VAL:CG1 -0.31920 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
443 1.0 VAL:1HG1 0.07910 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
444 1.0 VAL:2HG1 0.07910 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
445 1.0 VAL:3HG1 0.07910 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
446 1.0 VAL:CG2 -0.31920 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
447 1.0 VAL:1HG2 0.07910 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
448 1.0 VAL:2HG2 0.07910 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
449 1.0 VAL:3HG2 0.07910 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
450 1.0 VAL:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
451 1.0 VAL:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
452 1.0 ASN:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
453 1.0 ASN:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
454 1.0 ASN:CA 0.01430 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
455 1.0 ASN:HA 0.10480 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
456 1.0 ASN:CB -0.20410 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
457 1.0 ASN:1HB 0.07970 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
458 1.0 ASN:2HB 0.07970 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
459 1.0 ASN:CG 0.71300 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
460 1.0 ASN:OD1 -0.59310 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
461 1.0 ASN:ND2 -0.91910 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
462 1.0 ASN:1HD2 0.41960 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
463 1.0 ASN:2HD2 0.41960 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
464 1.0 ASN:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
465 1.0 ASN:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
466 1.0 GLN:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
467 1.0 GLN:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
468 1.0 GLN:CA -0.00310 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
469 1.0 GLN:HA 0.08500 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
470 1.0 GLN:CB -0.00360 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
471 1.0 GLN:1HB 0.01710 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
472 1.0 GLN:2HB 0.01710 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
473 1.0 GLN:CG -0.06450 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
474 1.0 GLN:1HG 0.03520 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
475 1.0 GLN:2HG 0.03520 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
476 1.0 GLN:CD 0.69510 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
477 1.0 GLN:OE1 -0.60860 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
478 1.0 GLN:NE2 -0.94070 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
479 1.0 GLN:1HE2 0.42510 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
480 1.0 GLN:2HE2 0.42510 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
481 1.0 GLN:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
482 1.0 GLN:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
483 1.0 ARG:N -0.34790 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
484 1.0 ARG:H 0.27470 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
485 1.0 ARG:CA -0.26370 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
486 1.0 ARG:HA 0.15600 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
487 1.0 ARG:CB -0.00070 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
488 1.0 ARG:1HB 0.03270 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
489 1.0 ARG:2HB 0.03270 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
490 1.0 ARG:CG 0.03900 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
491 1.0 ARG:1HG 0.02850 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
492 1.0 ARG:2HG 0.02850 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
493 1.0 ARG:CD 0.04860 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
494 1.0 ARG:1HD 0.06870 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
495 1.0 ARG:2HD 0.06870 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
496 1.0 ARG:NE -0.52950 N2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
497 1.0 ARG:HE 0.34560 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
498 1.0 ARG:CZ 0.80760 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
499 1.0 ARG:NH1 -0.86270 N2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
500 1.0 ARG:1HH1 0.44780 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
501 1.0 ARG:2HH1 0.44780 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
502 1.0 ARG:NH2 -0.86270 N2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
503 1.0 ARG:1HH2 0.44780 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
504 1.0 ARG:2HH2 0.44780 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
505 1.0 ARG:C 0.73410 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
506 1.0 ARG:O -0.58940 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
507 1.0 HIS:N -0.34790 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
508 1.0 HIS:H 0.27470 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
509 1.0 HIS:CA -0.13540 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
510 1.0 HIS:HA 0.12120 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
511 1.0 HIS:CB -0.04140 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
512 1.0 HIS:1HB 0.08100 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
513 1.0 HIS:2HB 0.08100 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
514 1.0 HIS:CG -0.00120 CC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
515 1.0 HIS:ND1 -0.15130 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
516 1.0 HIS:HD1 0.38660 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
517 1.0 HIS:CE1 -0.01700 CR |
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CADDSuite version 1.5
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parents:
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518 1.0 HIS:HE1 0.26810 H5 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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519 1.0 HIS:NE2 -0.17180 NA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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520 1.0 HIS:CD2 -0.11410 CW |
ac342506cd4e
CADDSuite version 1.5
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parents:
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521 1.0 HIS:HD2 0.23170 H4 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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522 1.0 HIS:C 0.73410 C |
ac342506cd4e
CADDSuite version 1.5
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parents:
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523 1.0 HIS:O -0.58940 O |
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CADDSuite version 1.5
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parents:
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524 1.0 HIS:N -0.34790 N |
ac342506cd4e
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Marcel Schumann <schumann.marcel@gmail.com>
parents:
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525 1.0 HIS:H 0.27470 H |
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CADDSuite version 1.5
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parents:
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526 1.0 HIS:CA -0.13540 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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527 1.0 HIS:HA 0.12120 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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528 1.0 HIS:CB -0.04140 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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529 1.0 HIS:1HB 0.08100 HC |
ac342506cd4e
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parents:
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530 1.0 HIS:2HB 0.08100 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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531 1.0 HIS:CG -0.00120 CC |
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CADDSuite version 1.5
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parents:
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532 1.0 HIS:ND1 -0.15130 NA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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533 1.0 HIS:CE1 -0.01700 CR |
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parents:
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534 1.0 HIS:HE1 0.26810 H5 |
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CADDSuite version 1.5
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parents:
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535 1.0 HIS:NE2 -0.17180 NA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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536 1.0 HIS:HE2 0.39110 H |
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CADDSuite version 1.5
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parents:
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537 1.0 HIS:CD2 -0.11410 CW |
ac342506cd4e
CADDSuite version 1.5
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parents:
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538 1.0 HIS:HD2 0.23170 H4 |
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CADDSuite version 1.5
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539 1.0 HIS:C 0.73410 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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540 1.0 HIS:O -0.58940 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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541 1.0 HIS:N -0.34790 N |
ac342506cd4e
CADDSuite version 1.5
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parents:
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542 1.0 HIS:H 0.27470 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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543 1.0 HIS:CA -0.13540 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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544 1.0 HIS:HA 0.12120 H1 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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545 1.0 HIS:CB -0.04140 CT |
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CADDSuite version 1.5
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parents:
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546 1.0 HIS:1HB 0.08100 HC |
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parents:
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547 1.0 HIS:2HB 0.08100 HC |
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CADDSuite version 1.5
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parents:
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548 1.0 HIS:CG -0.00120 CC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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549 1.0 HIS:ND1 -0.15130 NA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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550 1.0 HIS:HD1 0.38660 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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551 1.0 HIS:CE1 -0.01700 CR |
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CADDSuite version 1.5
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parents:
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552 1.0 HIS:HE1 0.26810 H5 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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553 1.0 HIS:NE2 -0.17180 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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554 1.0 HIS:HE2 0.39110 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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555 1.0 HIS:CD2 -0.11410 CW |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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556 1.0 HIS:HD2 0.23170 H4 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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557 1.0 HIS:C 0.73410 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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558 1.0 HIS:O -0.58940 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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559 1.0 TRP:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
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parents:
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560 1.0 TRP:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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561 1.0 TRP:CA -0.02750 CT |
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CADDSuite version 1.5
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parents:
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562 1.0 TRP:HA 0.11230 H1 |
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CADDSuite version 1.5
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parents:
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563 1.0 TRP:CB -0.00500 CT |
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CADDSuite version 1.5
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parents:
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564 1.0 TRP:1HB 0.03390 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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565 1.0 TRP:2HB 0.03390 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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566 1.0 TRP:CG -0.14150 C* |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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567 1.0 TRP:CD1 -0.16380 CW |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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568 1.0 TRP:HD1 0.20620 H4 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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569 1.0 TRP:NE1 -0.34180 NA |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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570 1.0 TRP:HE1 0.34120 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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571 1.0 TRP:CE2 0.13800 CN |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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572 1.0 TRP:CZ2 -0.26010 CA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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573 1.0 TRP:HZ2 0.15720 HA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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574 1.0 TRP:CH2 -0.11340 CA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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575 1.0 TRP:HH2 0.14170 HA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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576 1.0 TRP:CZ3 -0.19720 CA |
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CADDSuite version 1.5
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parents:
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577 1.0 TRP:HZ3 0.14470 HA |
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CADDSuite version 1.5
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parents:
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578 1.0 TRP:CE3 -0.23870 CA |
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CADDSuite version 1.5
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579 1.0 TRP:HE3 0.17000 HA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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580 1.0 TRP:CD2 0.12430 CB |
ac342506cd4e
CADDSuite version 1.5
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parents:
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581 1.0 TRP:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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582 1.0 TRP:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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583 1.0 PHE:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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584 1.0 PHE:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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585 1.0 PHE:CA -0.00240 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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586 1.0 PHE:HA 0.09780 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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587 1.0 PHE:CB -0.03430 CT |
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CADDSuite version 1.5
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parents:
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588 1.0 PHE:1HB 0.02950 HC |
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CADDSuite version 1.5
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parents:
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589 1.0 PHE:2HB 0.02950 HC |
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CADDSuite version 1.5
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parents:
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590 1.0 PHE:CG 0.01180 CA |
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CADDSuite version 1.5
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parents:
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591 1.0 PHE:CD1 -0.12560 CA |
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CADDSuite version 1.5
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parents:
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592 1.0 PHE:HD1 0.13300 HA |
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CADDSuite version 1.5
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parents:
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593 1.0 PHE:CE1 -0.17040 CA |
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CADDSuite version 1.5
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594 1.0 PHE:HE1 0.14300 HA |
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CADDSuite version 1.5
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595 1.0 PHE:CZ -0.10720 CA |
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CADDSuite version 1.5
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596 1.0 PHE:HZ 0.12970 HA |
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597 1.0 PHE:CE2 -0.17040 CA |
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598 1.0 PHE:HE2 0.14300 HA |
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599 1.0 PHE:CD2 -0.12560 CA |
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600 1.0 PHE:HD2 0.13300 HA |
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CADDSuite version 1.5
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601 1.0 PHE:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
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602 1.0 PHE:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
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603 1.0 TYR:N -0.41570 N |
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CADDSuite version 1.5
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604 1.0 TYR:H 0.27190 H |
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605 1.0 TYR:CA -0.00140 CT |
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606 1.0 TYR:HA 0.08760 H1 |
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607 1.0 TYR:CB -0.01520 CT |
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608 1.0 TYR:1HB 0.02950 HC |
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609 1.0 TYR:2HB 0.02950 HC |
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610 1.0 TYR:CG -0.00110 CA |
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CADDSuite version 1.5
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611 1.0 TYR:CD1 -0.19060 CA |
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612 1.0 TYR:HD1 0.16990 HA |
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613 1.0 TYR:CE1 -0.23410 CA |
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614 1.0 TYR:HE1 0.16560 HA |
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615 1.0 TYR:CZ 0.32260 C |
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616 1.0 TYR:OH -0.55790 OH |
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CADDSuite version 1.5
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617 1.0 TYR:HH 0.39920 HO |
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618 1.0 TYR:CE2 -0.23410 CA |
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619 1.0 TYR:HE2 0.16560 HA |
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620 1.0 TYR:CD2 -0.19060 CA |
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621 1.0 TYR:HD2 0.16990 HA |
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622 1.0 TYR:C 0.59730 C |
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624 1.0 GLU:N -0.51630 N |
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625 1.0 GLU:H 0.29360 H |
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626 1.0 GLU:CA 0.03970 CT |
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627 1.0 GLU:HA 0.11050 H1 |
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628 1.0 GLU:CB 0.05600 CT |
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629 1.0 GLU:1HB -0.01730 HC |
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630 1.0 GLU:2HB -0.01730 HC |
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631 1.0 GLU:CG 0.01360 CT |
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632 1.0 GLU:1HG -0.04250 HC |
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634 1.0 GLU:CD 0.80540 C |
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635 1.0 GLU:OE1 -0.81880 O2 |
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636 1.0 GLU:OE2 -0.81880 O2 |
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637 1.0 GLU:C 0.53660 C |
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638 1.0 GLU:O -0.58190 O |
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639 1.0 ASP:N -0.51630 N |
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646 1.0 ASP:CG 0.79940 C |
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647 1.0 ASP:OD1 -0.80140 O2 |
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649 1.0 ASP:C 0.53660 C |
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651 1.0 LYS:N -0.34790 N |
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CADDSuite version 1.5
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654 1.0 LYS:HA 0.14260 H1 |
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659 1.0 LYS:1HG 0.01030 HC |
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661 1.0 LYS:CD -0.04790 CT |
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662 1.0 LYS:1HD 0.06210 HC |
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665 1.0 LYS:1HE 0.11350 HP |
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667 1.0 LYS:NZ -0.38540 N3 |
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668 1.0 LYS:1HZ 0.34000 H |
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671 1.0 LYS:C 0.73410 C |
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672 1.0 LYS:O -0.58940 O |
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673 1.0 LYN:N -0.41570 N |
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675 1.0 LYN:CA -0.07206 CT |
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676 1.0 LYN:HA 0.09940 H1 |
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677 1.0 LYN:CB -0.04845 CT |
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680 1.0 LYN:CG 0.06612 CT |
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681 1.0 LYN:HG2 0.01041 HC |
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683 1.0 LYN:CD -0.03768 CT |
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684 1.0 LYN:HD2 0.01155 HC |
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686 1.0 LYN:CE 0.32604 CT |
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687 1.0 LYN:HE2 -0.03358 HP |
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688 1.0 LYN:HE3 -0.03358 HP |
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689 1.0 LYN:NZ -1.03581 N3 |
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690 1.0 LYN:HZ2 0.38604 H |
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691 1.0 LYN:HZ3 0.38604 H |
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692 1.0 LYN:C 0.59730 C |
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693 1.0 LYN:O -0.56790 O |
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694 1.0 PRO:N -0.25480 N |
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695 1.0 PRO:CD 0.01920 CT |
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696 1.0 PRO:1HD 0.03910 H1 |
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697 1.0 PRO:2HD 0.03910 H1 |
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698 1.0 PRO:CG 0.01890 CT |
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699 1.0 PRO:1HG 0.02130 HC |
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700 1.0 PRO:2HG 0.02130 HC |
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701 1.0 PRO:CB -0.00700 CT |
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702 1.0 PRO:1HB 0.02530 HC |
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704 1.0 PRO:CA -0.02660 CT |
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705 1.0 PRO:HA 0.06410 H1 |
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706 1.0 PRO:C 0.58960 C |
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707 1.0 PRO:O -0.57480 O |
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708 1.0 CYS:N -0.41570 N |
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CADDSuite version 1.5
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709 1.0 CYS:H 0.27190 H |
ac342506cd4e
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710 1.0 CYS:CA 0.02130 CT |
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711 1.0 CYS:HA 0.11240 H1 |
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712 1.0 CYS:CB -0.12310 CT |
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713 1.0 CYS:1HB 0.11120 H1 |
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714 1.0 CYS:2HB 0.11120 H1 |
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715 1.0 CYS:SG -0.31190 SH |
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716 1.0 CYS:HG 0.19330 HS |
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717 1.0 CYS:C 0.59730 C |
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718 1.0 CYS:O -0.56790 O |
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719 1.0 CYM:N -0.46300 N |
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720 1.0 CYM:HN 0.25200 H |
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721 1.0 CYM:CA 0.03500 CT |
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722 1.0 CYM:HA 0.04800 H1 |
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723 1.0 CYM:CB -0.73600 CT |
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CADDSuite version 1.5
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724 1.0 CYM:HB3 0.24400 H1 |
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CADDSuite version 1.5
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725 1.0 CYM:HB2 0.24400 H1 |
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CADDSuite version 1.5
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726 1.0 CYM:SG -0.73600 SH |
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727 1.0 CYM:C 0.61600 C |
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CADDSuite version 1.5
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728 1.0 CYM:O -0.50400 O |
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CADDSuite version 1.5
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parents:
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729 1.0 CYS-S:N -0.41570 N |
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CADDSuite version 1.5
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parents:
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730 1.0 CYS-S:H 0.27190 H |
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CADDSuite version 1.5
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parents:
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731 1.0 CYS-S:CA 0.04290 CT |
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CADDSuite version 1.5
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732 1.0 CYS-S:HA 0.07660 H1 |
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CADDSuite version 1.5
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parents:
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733 1.0 CYS-S:CB -0.07900 CT |
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CADDSuite version 1.5
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parents:
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734 1.0 CYS-S:1HB 0.09100 H1 |
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735 1.0 CYS-S:2HB 0.09100 H1 |
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CADDSuite version 1.5
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736 1.0 CYS-S:SG -0.10810 S |
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CADDSuite version 1.5
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parents:
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737 1.0 CYS-S:C 0.59730 C |
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738 1.0 CYS-S:O -0.56790 O |
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CADDSuite version 1.5
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parents:
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739 1.0 MET:N -0.41570 N |
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740 1.0 MET:H 0.27190 H |
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741 1.0 MET:CA -0.02370 CT |
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742 1.0 MET:HA 0.08800 H1 |
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743 1.0 MET:CB 0.03420 CT |
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744 1.0 MET:1HB 0.02410 HC |
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745 1.0 MET:2HB 0.02410 HC |
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746 1.0 MET:CG 0.00180 CT |
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747 1.0 MET:1HG 0.04400 H1 |
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748 1.0 MET:2HG 0.04400 H1 |
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749 1.0 MET:SD -0.27370 S |
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CADDSuite version 1.5
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750 1.0 MET:CE -0.05360 CT |
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751 1.0 MET:1HE 0.06840 H1 |
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752 1.0 MET:2HE 0.06840 H1 |
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753 1.0 MET:3HE 0.06840 H1 |
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754 1.0 MET:C 0.59730 C |
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755 1.0 MET:O -0.56790 O |
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756 1.0 ACE:1HH3 0.11230 HC |
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757 1.0 ACE:CH3 -0.36620 CT |
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CADDSuite version 1.5
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758 1.0 ACE:2HH3 0.11230 HC |
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759 1.0 ACE:3HH3 0.11230 HC |
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CADDSuite version 1.5
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760 1.0 ACE:C 0.59720 C |
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CADDSuite version 1.5
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761 1.0 ACE:O -0.56790 O |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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762 1.0 HOH:1H 0.41700 HW |
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CADDSuite version 1.5
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CADDSuite version 1.5
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CADDSuite version 1.5
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CADDSuite version 1.5
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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767 1.0 HOH:H2 0.41700 HW |
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CADDSuite version 1.5
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768 1.0 WAT:1H 0.41700 HW |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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ac342506cd4e
CADDSuite version 1.5
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770 1.0 WAT:2H 0.41700 HW |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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771 1.0 ASH:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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772 1.0 ASH:H 0.27190 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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773 1.0 ASH:CA 0.03410 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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774 1.0 ASH:HA 0.08640 H1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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775 1.0 ASH:CB -0.03160 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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776 1.0 ASH:HB2 0.04880 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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777 1.0 ASH:HB3 0.04880 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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778 1.0 ASH:CG 0.64620 C |
ac342506cd4e
CADDSuite version 1.5
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parents:
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779 1.0 ASH:OD1 -0.55540 O |
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CADDSuite version 1.5
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780 1.0 ASH:OD2 -0.63760 OH |
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CADDSuite version 1.5
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parents:
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781 1.0 ASH:HD2 0.47470 HO |
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CADDSuite version 1.5
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782 1.0 ASH:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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783 1.0 ASH:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
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784 1.0 GLH:N -0.41570 N |
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CADDSuite version 1.5
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785 1.0 GLH:H 0.27190 H |
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CADDSuite version 1.5
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parents:
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786 1.0 GLH:CA 0.01450 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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787 1.0 GLH:HA 0.07790 H1 |
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CADDSuite version 1.5
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788 1.0 GLH:CB -0.00710 CT |
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CADDSuite version 1.5
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parents:
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789 1.0 GLH:HB2 0.02560 HC |
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CADDSuite version 1.5
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790 1.0 GLH:HB3 0.02560 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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791 1.0 GLH:CG -0.01740 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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792 1.0 GLH:HG2 0.04300 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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793 1.0 GLH:HG3 0.04300 HC |
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CADDSuite version 1.5
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794 1.0 GLH:CD 0.68010 C |
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CADDSuite version 1.5
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parents:
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795 1.0 GLH:OE1 -0.58380 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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796 1.0 GLH:OE2 -0.65110 OH |
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CADDSuite version 1.5
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parents:
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797 1.0 GLH:HE2 0.46410 HO |
ac342506cd4e
CADDSuite version 1.5
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parents:
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798 1.0 GLH:C 0.59730 C |
ac342506cd4e
CADDSuite version 1.5
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799 1.0 GLH:O -0.56790 O |
ac342506cd4e
CADDSuite version 1.5
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800 1.0 CIP:NA+ 1.00000 IP |
ac342506cd4e
CADDSuite version 1.5
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parents:
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801 1.0 CIM:CL- -1.00000 IM |
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CADDSuite version 1.5
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parents:
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802 1.0 ALA-N:N 0.14140 N3 |
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CADDSuite version 1.5
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parents:
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803 1.0 ALA-N:1H 0.19970 H |
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CADDSuite version 1.5
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804 1.0 ALA-N:2H 0.19970 H |
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CADDSuite version 1.5
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805 1.0 ALA-N:3H 0.19970 H |
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CADDSuite version 1.5
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parents:
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806 1.0 ALA-N:CA 0.09620 CT |
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CADDSuite version 1.5
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parents:
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807 1.0 ALA-N:HA 0.08890 HP |
ac342506cd4e
CADDSuite version 1.5
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parents:
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808 1.0 ALA-N:CB -0.05970 CT |
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CADDSuite version 1.5
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parents:
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809 1.0 ALA-N:1HB 0.03000 HC |
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CADDSuite version 1.5
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parents:
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810 1.0 ALA-N:2HB 0.03000 HC |
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CADDSuite version 1.5
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811 1.0 ALA-N:3HB 0.03000 HC |
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CADDSuite version 1.5
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parents:
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812 1.0 ALA-N:C 0.61630 C |
ac342506cd4e
CADDSuite version 1.5
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parents:
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813 1.0 ALA-N:O -0.57220 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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814 1.0 GLY-N:N 0.29430 N3 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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815 1.0 GLY-N:1H 0.16420 H |
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CADDSuite version 1.5
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parents:
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816 1.0 GLY-N:2H 0.16420 H |
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CADDSuite version 1.5
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parents:
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817 1.0 GLY-N:3H 0.16420 H |
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CADDSuite version 1.5
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818 1.0 GLY-N:CA -0.01000 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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819 1.0 GLY-N:1HA 0.08950 HP |
ac342506cd4e
CADDSuite version 1.5
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parents:
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820 1.0 GLY-N:2HA 0.08950 HP |
ac342506cd4e
CADDSuite version 1.5
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parents:
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821 1.0 GLY-N:C 0.61630 C |
ac342506cd4e
CADDSuite version 1.5
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parents:
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822 1.0 GLY-N:O -0.57220 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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823 1.0 SER-N:N 0.18490 N3 |
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CADDSuite version 1.5
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parents:
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824 1.0 SER-N:1H 0.18980 H |
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CADDSuite version 1.5
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parents:
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825 1.0 SER-N:2H 0.18980 H |
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CADDSuite version 1.5
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826 1.0 SER-N:3H 0.18980 H |
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CADDSuite version 1.5
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parents:
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827 1.0 SER-N:CA 0.05670 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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828 1.0 SER-N:HA 0.07820 HP |
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CADDSuite version 1.5
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parents:
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829 1.0 SER-N:CB 0.25960 CT |
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CADDSuite version 1.5
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parents:
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830 1.0 SER-N:1HB 0.02730 H1 |
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CADDSuite version 1.5
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parents:
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831 1.0 SER-N:2HB 0.02730 H1 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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832 1.0 SER-N:OG -0.67140 OH |
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CADDSuite version 1.5
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parents:
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833 1.0 SER-N:HG 0.42390 HO |
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CADDSuite version 1.5
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parents:
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834 1.0 SER-N:C 0.61630 C |
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CADDSuite version 1.5
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parents:
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835 1.0 SER-N:O -0.57220 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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|
836 1.0 THR-N:N 0.18120 N3 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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837 1.0 THR-N:1H 0.19340 H |
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CADDSuite version 1.5
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parents:
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838 1.0 THR-N:2H 0.19340 H |
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CADDSuite version 1.5
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parents:
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839 1.0 THR-N:3H 0.19340 H |
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CADDSuite version 1.5
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parents:
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840 1.0 THR-N:CA 0.00340 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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841 1.0 THR-N:HA 0.10870 HP |
ac342506cd4e
CADDSuite version 1.5
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parents:
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842 1.0 THR-N:CB 0.45140 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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843 1.0 THR-N:HB -0.03230 H1 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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844 1.0 THR-N:CG2 -0.25540 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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845 1.0 THR-N:1HG2 0.06270 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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846 1.0 THR-N:2HG2 0.06270 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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847 1.0 THR-N:3HG2 0.06270 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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848 1.0 THR-N:OG1 -0.67640 OH |
ac342506cd4e
CADDSuite version 1.5
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parents:
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849 1.0 THR-N:HG1 0.40700 HO |
ac342506cd4e
CADDSuite version 1.5
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parents:
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850 1.0 THR-N:C 0.61630 C |
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CADDSuite version 1.5
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parents:
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851 1.0 THR-N:O -0.57220 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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|
852 1.0 LEU-N:N 0.10100 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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853 1.0 LEU-N:1H 0.21480 H |
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CADDSuite version 1.5
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parents:
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854 1.0 LEU-N:2H 0.21480 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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855 1.0 LEU-N:3H 0.21480 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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|
856 1.0 LEU-N:CA 0.01040 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
857 1.0 LEU-N:HA 0.10530 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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858 1.0 LEU-N:CB -0.02440 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
859 1.0 LEU-N:1HB 0.02560 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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860 1.0 LEU-N:2HB 0.02560 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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861 1.0 LEU-N:CG 0.34210 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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862 1.0 LEU-N:HG -0.03800 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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863 1.0 LEU-N:CD1 -0.41060 CT |
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CADDSuite version 1.5
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parents:
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864 1.0 LEU-N:1HD1 0.09800 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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865 1.0 LEU-N:2HD1 0.09800 HC |
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CADDSuite version 1.5
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parents:
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866 1.0 LEU-N:3HD1 0.09800 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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867 1.0 LEU-N:CD2 -0.41040 CT |
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CADDSuite version 1.5
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parents:
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868 1.0 LEU-N:1HD2 0.09800 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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869 1.0 LEU-N:2HD2 0.09800 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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870 1.0 LEU-N:3HD2 0.09800 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
871 1.0 LEU-N:C 0.61230 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
872 1.0 LEU-N:O -0.57130 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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873 1.0 ILE-N:N 0.03110 N3 |
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CADDSuite version 1.5
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parents:
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874 1.0 ILE-N:1H 0.23290 H |
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CADDSuite version 1.5
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parents:
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875 1.0 ILE-N:2H 0.23290 H |
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CADDSuite version 1.5
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parents:
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876 1.0 ILE-N:3H 0.23290 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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877 1.0 ILE-N:CA 0.02570 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
878 1.0 ILE-N:HA 0.10310 HP |
ac342506cd4e
CADDSuite version 1.5
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parents:
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|
879 1.0 ILE-N:CB 0.18850 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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|
880 1.0 ILE-N:HB 0.02130 HC |
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CADDSuite version 1.5
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parents:
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881 1.0 ILE-N:CG2 -0.37200 CT |
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CADDSuite version 1.5
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parents:
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882 1.0 ILE-N:1HG2 0.09470 HC |
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CADDSuite version 1.5
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parents:
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883 1.0 ILE-N:2HG2 0.09470 HC |
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CADDSuite version 1.5
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parents:
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884 1.0 ILE-N:3HG2 0.09470 HC |
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CADDSuite version 1.5
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parents:
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885 1.0 ILE-N:CG1 -0.03870 CT |
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CADDSuite version 1.5
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parents:
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886 1.0 ILE-N:1HG1 0.02010 HC |
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CADDSuite version 1.5
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parents:
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887 1.0 ILE-N:2HG1 0.02010 HC |
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CADDSuite version 1.5
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888 1.0 ILE-N:CD1 -0.09080 CT |
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CADDSuite version 1.5
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889 1.0 ILE-N:1HD1 0.02260 HC |
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CADDSuite version 1.5
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parents:
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890 1.0 ILE-N:2HD1 0.02260 HC |
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CADDSuite version 1.5
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891 1.0 ILE-N:3HD1 0.02260 HC |
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CADDSuite version 1.5
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892 1.0 ILE-N:C 0.61230 C |
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CADDSuite version 1.5
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parents:
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893 1.0 ILE-N:O -0.57130 O |
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CADDSuite version 1.5
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894 1.0 VAL-N:N 0.05770 N3 |
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CADDSuite version 1.5
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895 1.0 VAL-N:1H 0.22720 H |
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CADDSuite version 1.5
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896 1.0 VAL-N:2H 0.22720 H |
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CADDSuite version 1.5
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897 1.0 VAL-N:3H 0.22720 H |
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CADDSuite version 1.5
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898 1.0 VAL-N:CA -0.00540 CT |
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CADDSuite version 1.5
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899 1.0 VAL-N:HA 0.10930 HP |
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CADDSuite version 1.5
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900 1.0 VAL-N:CB 0.31960 CT |
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CADDSuite version 1.5
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901 1.0 VAL-N:HB -0.02210 HC |
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CADDSuite version 1.5
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902 1.0 VAL-N:CG1 -0.31290 CT |
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CADDSuite version 1.5
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903 1.0 VAL-N:1HG1 0.07350 HC |
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CADDSuite version 1.5
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904 1.0 VAL-N:2HG1 0.07350 HC |
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CADDSuite version 1.5
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905 1.0 VAL-N:3HG1 0.07350 HC |
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CADDSuite version 1.5
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parents:
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906 1.0 VAL-N:CG2 -0.31290 CT |
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CADDSuite version 1.5
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907 1.0 VAL-N:1HG2 0.07350 HC |
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CADDSuite version 1.5
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parents:
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908 1.0 VAL-N:2HG2 0.07350 HC |
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CADDSuite version 1.5
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909 1.0 VAL-N:3HG2 0.07350 HC |
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CADDSuite version 1.5
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910 1.0 VAL-N:C 0.61630 C |
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CADDSuite version 1.5
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parents:
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911 1.0 VAL-N:O -0.57220 O |
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CADDSuite version 1.5
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parents:
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912 1.0 ASN-N:N 0.18010 N3 |
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CADDSuite version 1.5
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913 1.0 ASN-N:1H 0.19210 H |
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CADDSuite version 1.5
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914 1.0 ASN-N:2H 0.19210 H |
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CADDSuite version 1.5
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parents:
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915 1.0 ASN-N:3H 0.19210 H |
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CADDSuite version 1.5
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916 1.0 ASN-N:CA 0.03680 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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917 1.0 ASN-N:HA 0.12310 HP |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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918 1.0 ASN-N:CB -0.02830 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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919 1.0 ASN-N:1HB 0.05150 HC |
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CADDSuite version 1.5
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parents:
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920 1.0 ASN-N:2HB 0.05150 HC |
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CADDSuite version 1.5
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921 1.0 ASN-N:CG 0.58330 C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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922 1.0 ASN-N:OD1 -0.57440 O |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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923 1.0 ASN-N:ND2 -0.86340 N |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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924 1.0 ASN-N:1HD2 0.40970 H |
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CADDSuite version 1.5
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parents:
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925 1.0 ASN-N:2HD2 0.40970 H |
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CADDSuite version 1.5
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parents:
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926 1.0 ASN-N:C 0.61630 C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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927 1.0 ASN-N:O -0.57220 O |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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928 1.0 GLN-N:N 0.14930 N3 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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929 1.0 GLN-N:1H 0.19960 H |
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CADDSuite version 1.5
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parents:
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930 1.0 GLN-N:2H 0.19960 H |
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CADDSuite version 1.5
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parents:
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931 1.0 GLN-N:3H 0.19960 H |
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CADDSuite version 1.5
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parents:
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932 1.0 GLN-N:CA 0.05360 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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933 1.0 GLN-N:HA 0.10150 HP |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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934 1.0 GLN-N:CB 0.06510 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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935 1.0 GLN-N:1HB 0.00500 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
936 1.0 GLN-N:2HB 0.00500 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
937 1.0 GLN-N:CG -0.09030 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
938 1.0 GLN-N:1HG 0.03310 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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939 1.0 GLN-N:2HG 0.03310 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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940 1.0 GLN-N:CD 0.73540 C |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
941 1.0 GLN-N:OE1 -0.61330 O |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
942 1.0 GLN-N:NE2 -1.00310 N |
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CADDSuite version 1.5
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parents:
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943 1.0 GLN-N:1HE2 0.44290 H |
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CADDSuite version 1.5
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parents:
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944 1.0 GLN-N:2HE2 0.44290 H |
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CADDSuite version 1.5
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parents:
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945 1.0 GLN-N:C 0.61230 C |
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CADDSuite version 1.5
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parents:
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946 1.0 GLN-N:O -0.57130 O |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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947 1.0 ARG-N:N 0.13050 N3 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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948 1.0 ARG-N:1H 0.20830 H |
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CADDSuite version 1.5
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parents:
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949 1.0 ARG-N:2H 0.20830 H |
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CADDSuite version 1.5
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parents:
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950 1.0 ARG-N:3H 0.20830 H |
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CADDSuite version 1.5
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parents:
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951 1.0 ARG-N:CA -0.02230 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
952 1.0 ARG-N:HA 0.12420 HP |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
953 1.0 ARG-N:CB 0.01180 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
954 1.0 ARG-N:1HB 0.02260 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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955 1.0 ARG-N:2HB 0.02260 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
956 1.0 ARG-N:CG 0.02360 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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957 1.0 ARG-N:1HG 0.03090 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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958 1.0 ARG-N:2HG 0.03090 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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959 1.0 ARG-N:CD 0.09350 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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960 1.0 ARG-N:1HD 0.05270 H1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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961 1.0 ARG-N:2HD 0.05270 H1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
962 1.0 ARG-N:NE -0.56500 N2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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963 1.0 ARG-N:HE 0.35920 H |
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CADDSuite version 1.5
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parents:
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964 1.0 ARG-N:CZ 0.82810 CA |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
965 1.0 ARG-N:NH1 -0.86930 N2 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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966 1.0 ARG-N:1HH1 0.44940 H |
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CADDSuite version 1.5
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parents:
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967 1.0 ARG-N:2HH1 0.44940 H |
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CADDSuite version 1.5
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parents:
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|
968 1.0 ARG-N:NH2 -0.86930 N2 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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969 1.0 ARG-N:1HH2 0.44940 H |
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CADDSuite version 1.5
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parents:
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970 1.0 ARG-N:2HH2 0.44940 H |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
971 1.0 ARG-N:C 0.72140 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
972 1.0 ARG-N:O -0.60130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
973 1.0 HIS-N:N 0.25600 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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974 1.0 HIS-N:1H 0.17040 H |
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CADDSuite version 1.5
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parents:
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975 1.0 HIS-N:2H 0.17040 H |
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CADDSuite version 1.5
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parents:
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976 1.0 HIS-N:3H 0.17040 H |
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CADDSuite version 1.5
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parents:
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|
977 1.0 HIS-N:CA 0.05810 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
978 1.0 HIS-N:HA 0.10470 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
979 1.0 HIS-N:CB 0.04840 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
980 1.0 HIS-N:1HB 0.05310 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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981 1.0 HIS-N:2HB 0.05310 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
982 1.0 HIS-N:CG -0.02360 CC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
983 1.0 HIS-N:ND1 -0.15100 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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984 1.0 HIS-N:HD1 0.38210 H |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
985 1.0 HIS-N:CE1 -0.00110 CR |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
986 1.0 HIS-N:HE1 0.26450 H5 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
987 1.0 HIS-N:NE2 -0.17390 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
988 1.0 HIS-N:CD2 -0.14330 CW |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
989 1.0 HIS-N:HD2 0.24950 H4 |
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CADDSuite version 1.5
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parents:
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|
990 1.0 HIS-N:C 0.72140 C |
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CADDSuite version 1.5
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parents:
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991 1.0 HIS-N:O -0.60130 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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|
992 1.0 HIS-N:N 0.25600 N3 |
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CADDSuite version 1.5
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parents:
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993 1.0 HIS-N:1H 0.17040 H |
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CADDSuite version 1.5
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parents:
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994 1.0 HIS-N:2H 0.17040 H |
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CADDSuite version 1.5
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parents:
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995 1.0 HIS-N:3H 0.17040 H |
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CADDSuite version 1.5
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parents:
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|
996 1.0 HIS-N:CA 0.05810 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
997 1.0 HIS-N:HA 0.10470 HP |
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CADDSuite version 1.5
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parents:
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|
998 1.0 HIS-N:CB 0.04840 CT |
ac342506cd4e
CADDSuite version 1.5
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parents:
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999 1.0 HIS-N:1HB 0.05310 HC |
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CADDSuite version 1.5
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parents:
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1000 1.0 HIS-N:2HB 0.05310 HC |
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CADDSuite version 1.5
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parents:
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1001 1.0 HIS-N:CG -0.02360 CC |
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CADDSuite version 1.5
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parents:
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1002 1.0 HIS-N:ND1 -0.15100 NA |
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CADDSuite version 1.5
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parents:
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1003 1.0 HIS-N:CE1 -0.00110 CR |
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CADDSuite version 1.5
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parents:
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1004 1.0 HIS-N:HE1 0.26450 H5 |
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CADDSuite version 1.5
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parents:
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1005 1.0 HIS-N:NE2 -0.17390 NA |
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CADDSuite version 1.5
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parents:
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1006 1.0 HIS-N:HE2 0.39210 H |
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CADDSuite version 1.5
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parents:
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1007 1.0 HIS-N:CD2 -0.14330 CW |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1008 1.0 HIS-N:HD2 0.24950 H4 |
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CADDSuite version 1.5
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parents:
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1009 1.0 HIS-N:C 0.72140 C |
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CADDSuite version 1.5
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parents:
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1010 1.0 HIS-N:O -0.60130 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1011 1.0 HIS-N:N 0.25600 N3 |
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CADDSuite version 1.5
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parents:
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1012 1.0 HIS-N:1H 0.17040 H |
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CADDSuite version 1.5
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parents:
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1013 1.0 HIS-N:2H 0.17040 H |
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CADDSuite version 1.5
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parents:
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1014 1.0 HIS-N:3H 0.17040 H |
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CADDSuite version 1.5
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parents:
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1015 1.0 HIS-N:CA 0.05810 CT |
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CADDSuite version 1.5
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parents:
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1016 1.0 HIS-N:HA 0.10470 HP |
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CADDSuite version 1.5
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parents:
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1017 1.0 HIS-N:CB 0.04840 CT |
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CADDSuite version 1.5
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parents:
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1018 1.0 HIS-N:1HB 0.05310 HC |
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CADDSuite version 1.5
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parents:
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1019 1.0 HIS-N:2HB 0.05310 HC |
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CADDSuite version 1.5
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parents:
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1020 1.0 HIS-N:CG -0.02360 CC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1021 1.0 HIS-N:ND1 -0.15100 NA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1022 1.0 HIS-N:HD1 0.38210 H |
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CADDSuite version 1.5
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parents:
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1023 1.0 HIS-N:CE1 -0.00110 CR |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1024 1.0 HIS-N:HE1 0.26450 H5 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1025 1.0 HIS-N:NE2 -0.17390 NA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1026 1.0 HIS-N:HE2 0.39210 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1027 1.0 HIS-N:CD2 -0.14330 CW |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1028 1.0 HIS-N:HD2 0.24950 H4 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1029 1.0 HIS-N:C 0.72140 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1030 1.0 HIS-N:O -0.60130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1031 1.0 TRP-N:N 0.19130 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1032 1.0 TRP-N:1H 0.18880 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1033 1.0 TRP-N:2H 0.18880 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1034 1.0 TRP-N:3H 0.18880 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1035 1.0 TRP-N:CA 0.04210 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1036 1.0 TRP-N:HA 0.11620 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1037 1.0 TRP-N:CB 0.05430 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1038 1.0 TRP-N:1HB 0.02220 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1039 1.0 TRP-N:2HB 0.02220 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1040 1.0 TRP-N:CG -0.16540 C* |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1041 1.0 TRP-N:CD1 -0.17880 CW |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1042 1.0 TRP-N:HD1 0.21950 H4 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1043 1.0 TRP-N:NE1 -0.34440 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1044 1.0 TRP-N:HE1 0.34120 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1045 1.0 TRP-N:CE2 0.15750 CN |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1046 1.0 TRP-N:CZ2 -0.27100 CA |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1047 1.0 TRP-N:HZ2 0.15890 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1048 1.0 TRP-N:CH2 -0.10800 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1049 1.0 TRP-N:HH2 0.14110 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1050 1.0 TRP-N:CZ3 -0.20340 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1051 1.0 TRP-N:HZ3 0.14580 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1052 1.0 TRP-N:CE3 -0.22650 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1053 1.0 TRP-N:HE3 0.16460 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1054 1.0 TRP-N:CD2 0.11320 CB |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1055 1.0 TRP-N:C 0.61230 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1056 1.0 TRP-N:O -0.57130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1057 1.0 PHE-N:N 0.17370 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1058 1.0 PHE-N:1H 0.19210 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1059 1.0 PHE-N:2H 0.19210 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1060 1.0 PHE-N:3H 0.19210 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1061 1.0 PHE-N:CA 0.07330 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1062 1.0 PHE-N:HA 0.10410 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1063 1.0 PHE-N:CB 0.03300 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1064 1.0 PHE-N:1HB 0.01040 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1065 1.0 PHE-N:2HB 0.01040 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1066 1.0 PHE-N:CG 0.00310 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1067 1.0 PHE-N:CD1 -0.13920 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1068 1.0 PHE-N:HD1 0.13740 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1069 1.0 PHE-N:CE1 -0.16020 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1070 1.0 PHE-N:HE1 0.14330 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1071 1.0 PHE-N:CZ -0.12080 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1072 1.0 PHE-N:HZ 0.13290 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1073 1.0 PHE-N:CE2 -0.16030 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1074 1.0 PHE-N:HE2 0.14330 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1075 1.0 PHE-N:CD2 -0.13910 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1076 1.0 PHE-N:HD2 0.13740 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1077 1.0 PHE-N:C 0.61230 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1078 1.0 PHE-N:O -0.57130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1079 1.0 TYR-N:N 0.19400 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1080 1.0 TYR-N:1H 0.18730 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1081 1.0 TYR-N:2H 0.18730 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1082 1.0 TYR-N:3H 0.18730 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1083 1.0 TYR-N:CA 0.05700 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1084 1.0 TYR-N:HA 0.09830 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1085 1.0 TYR-N:CB 0.06590 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1086 1.0 TYR-N:1HB 0.01020 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1087 1.0 TYR-N:2HB 0.01020 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1088 1.0 TYR-N:CG -0.02050 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1089 1.0 TYR-N:CD1 -0.20020 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1090 1.0 TYR-N:HD1 0.17200 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1091 1.0 TYR-N:CE1 -0.22390 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1092 1.0 TYR-N:HE1 0.16500 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1093 1.0 TYR-N:CZ 0.31390 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1094 1.0 TYR-N:OH -0.55780 OH |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1095 1.0 TYR-N:HH 0.40010 HO |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1096 1.0 TYR-N:CE2 -0.22390 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1097 1.0 TYR-N:HE2 0.16500 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1098 1.0 TYR-N:CD2 -0.20020 CA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1099 1.0 TYR-N:HD2 0.17200 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1100 1.0 TYR-N:C 0.61230 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1101 1.0 TYR-N:O -0.57130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1102 1.0 GLU-N:N 0.00170 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1103 1.0 GLU-N:1H 0.23910 H |
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CADDSuite version 1.5
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parents:
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1104 1.0 GLU-N:2H 0.23910 H |
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CADDSuite version 1.5
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parents:
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1105 1.0 GLU-N:3H 0.23910 H |
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CADDSuite version 1.5
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parents:
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1106 1.0 GLU-N:CA 0.05880 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1107 1.0 GLU-N:HA 0.12020 HP |
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CADDSuite version 1.5
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parents:
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1108 1.0 GLU-N:CB 0.09090 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1109 1.0 GLU-N:1HB -0.02320 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1110 1.0 GLU-N:2HB -0.02320 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1111 1.0 GLU-N:CG -0.02360 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1112 1.0 GLU-N:1HG -0.03150 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1113 1.0 GLU-N:2HG -0.03150 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1114 1.0 GLU-N:CD 0.80870 C |
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CADDSuite version 1.5
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parents:
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|
1115 1.0 GLU-N:OE1 -0.81890 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1116 1.0 GLU-N:OE2 -0.81890 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1117 1.0 GLU-N:C 0.56210 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1118 1.0 GLU-N:O -0.58890 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1119 1.0 ASP-N:N 0.07820 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1120 1.0 ASP-N:1H 0.22000 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1121 1.0 ASP-N:2H 0.22000 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1122 1.0 ASP-N:3H 0.22000 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
diff
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|
1123 1.0 ASP-N:CA 0.02920 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1124 1.0 ASP-N:HA 0.11410 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1125 1.0 ASP-N:CB -0.02350 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1126 1.0 ASP-N:1HB -0.01690 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1127 1.0 ASP-N:2HB -0.01690 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1128 1.0 ASP-N:CG 0.81940 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1129 1.0 ASP-N:OD1 -0.80840 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1130 1.0 ASP-N:OD2 -0.80840 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1131 1.0 ASP-N:C 0.56210 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1132 1.0 ASP-N:O -0.58890 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1133 1.0 LYS-N:N 0.09660 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1134 1.0 LYS-N:1H 0.21650 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1135 1.0 LYS-N:2H 0.21650 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1136 1.0 LYS-N:3H 0.21650 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1137 1.0 LYS-N:CA -0.00150 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1138 1.0 LYS-N:HA 0.11800 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1139 1.0 LYS-N:CB 0.02120 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1140 1.0 LYS-N:1HB 0.02830 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1141 1.0 LYS-N:2HB 0.02830 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1142 1.0 LYS-N:CG -0.00480 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1143 1.0 LYS-N:1HG 0.01210 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1144 1.0 LYS-N:2HG 0.01210 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1145 1.0 LYS-N:CD -0.06080 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1146 1.0 LYS-N:1HD 0.06330 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1147 1.0 LYS-N:2HD 0.06330 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1148 1.0 LYS-N:CE -0.01810 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1149 1.0 LYS-N:1HE 0.11710 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1150 1.0 LYS-N:2HE 0.11710 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1151 1.0 LYS-N:NZ -0.37640 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1152 1.0 LYS-N:1HZ 0.33820 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1153 1.0 LYS-N:2HZ 0.33820 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1154 1.0 LYS-N:3HZ 0.33820 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1155 1.0 LYS-N:C 0.72140 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1156 1.0 LYS-N:O -0.60130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1157 1.0 PRO-N:N -0.20200 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1158 1.0 PRO-N:1H 0.31200 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1159 1.0 PRO-N:2H 0.31200 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1160 1.0 PRO-N:3H 0.31200 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1161 1.0 PRO-N:CD -0.01200 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1162 1.0 PRO-N:1HD 0.10000 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1163 1.0 PRO-N:2HD 0.10000 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1164 1.0 PRO-N:CG -0.12100 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1165 1.0 PRO-N:1HG 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1166 1.0 PRO-N:2HG 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1167 1.0 PRO-N:CB -0.11500 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1168 1.0 PRO-N:1HB 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1169 1.0 PRO-N:2HB 0.10000 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1170 1.0 PRO-N:CA 0.10000 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1171 1.0 PRO-N:HA 0.10000 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1172 1.0 PRO-N:C 0.52600 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1173 1.0 PRO-N:O -0.50000 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1174 1.0 CYS-N:N 0.13250 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1175 1.0 CYS-N:1H 0.20230 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1176 1.0 CYS-N:2H 0.20230 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1177 1.0 CYS-N:3H 0.20230 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1178 1.0 CYS-N:CA 0.09270 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1179 1.0 CYS-N:HA 0.14110 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1180 1.0 CYS-N:CB -0.11950 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1181 1.0 CYS-N:1HB 0.11880 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1182 1.0 CYS-N:2HB 0.11880 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1183 1.0 CYS-N:SG -0.32980 SH |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1184 1.0 CYS-N:HSG 0.19750 HS |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1185 1.0 CYS-N:C 0.61230 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1186 1.0 CYS-N:O -0.57130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1187 1.0 CYS-NS:N 0.20690 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1188 1.0 CYS-NS:1H 0.18150 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1189 1.0 CYS-NS:2H 0.18150 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1190 1.0 CYS-NS:3H 0.18150 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1191 1.0 CYS-NS:CA 0.10550 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1192 1.0 CYS-NS:HA 0.09220 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1193 1.0 CYS-NS:CB -0.02770 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1194 1.0 CYS-NS:1HB 0.06800 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1195 1.0 CYS-NS:2HB 0.06800 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1196 1.0 CYS-NS:SG -0.09840 S |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1197 1.0 CYS-NS:C 0.61230 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1198 1.0 CYS-NS:O -0.57130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1199 1.0 MET-N:N 0.15920 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1200 1.0 MET-N:1H 0.19840 H |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1201 1.0 MET-N:2H 0.19840 H |
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CADDSuite version 1.5
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parents:
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1202 1.0 MET-N:3H 0.19840 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1203 1.0 MET-N:CA 0.02210 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1204 1.0 MET-N:HA 0.11160 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1205 1.0 MET-N:CB 0.08650 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1206 1.0 MET-N:1HB 0.01250 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1207 1.0 MET-N:2HB 0.01250 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1208 1.0 MET-N:CG 0.03340 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1209 1.0 MET-N:1HG 0.02920 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1210 1.0 MET-N:2HG 0.02920 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1211 1.0 MET-N:SD -0.27740 S |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1212 1.0 MET-N:CE -0.03410 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1213 1.0 MET-N:1HE 0.05970 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1214 1.0 MET-N:2HE 0.05970 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1215 1.0 MET-N:3HE 0.05970 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1216 1.0 MET-N:C 0.61230 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1217 1.0 MET-N:O -0.57130 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1218 1.0 ALA-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1219 1.0 ALA-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1220 1.0 ALA-C:CA -0.17470 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1221 1.0 ALA-C:HA 0.10670 H1 |
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CADDSuite version 1.5
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parents:
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1222 1.0 ALA-C:CB -0.20930 CT |
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CADDSuite version 1.5
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parents:
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1223 1.0 ALA-C:1HB 0.07640 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1224 1.0 ALA-C:2HB 0.07640 HC |
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CADDSuite version 1.5
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parents:
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1225 1.0 ALA-C:3HB 0.07640 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1226 1.0 ALA-C:C 0.77310 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1227 1.0 ALA-C:O -0.80550 O2 |
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CADDSuite version 1.5
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parents:
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1228 1.0 ALA-C:OXT -0.80550 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1229 1.0 GLY-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1230 1.0 GLY-C:H 0.26810 H |
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CADDSuite version 1.5
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parents:
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1231 1.0 GLY-C:CA -0.24930 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1232 1.0 GLY-C:1HA 0.10560 H1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1233 1.0 GLY-C:2HA 0.10560 H1 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1234 1.0 GLY-C:C 0.72310 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1235 1.0 GLY-C:O -0.78550 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1236 1.0 GLY-C:OXT -0.78550 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1237 1.0 SER-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1238 1.0 SER-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1239 1.0 SER-C:CA -0.27220 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1240 1.0 SER-C:HA 0.13040 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1241 1.0 SER-C:CB 0.11230 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1242 1.0 SER-C:1HB 0.08130 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1243 1.0 SER-C:2HB 0.08130 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1244 1.0 SER-C:OG -0.65140 OH |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1245 1.0 SER-C:HG 0.44740 HO |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1246 1.0 SER-C:C 0.81130 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1247 1.0 SER-C:O -0.81320 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1248 1.0 SER-C:OXT -0.81320 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1249 1.0 THR-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1250 1.0 THR-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1251 1.0 THR-C:CA -0.24200 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1252 1.0 THR-C:HA 0.12070 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1253 1.0 THR-C:CB 0.30250 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1254 1.0 THR-C:HB 0.00780 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1255 1.0 THR-C:CG2 -0.18530 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1256 1.0 THR-C:1HG2 0.05860 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1257 1.0 THR-C:2HG2 0.05860 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1258 1.0 THR-C:3HG2 0.05860 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1259 1.0 THR-C:OG1 -0.64960 OH |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1260 1.0 THR-C:HG1 0.41190 HO |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1261 1.0 THR-C:C 0.78100 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1262 1.0 THR-C:O -0.80440 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1263 1.0 THR-C:OXT -0.80440 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1264 1.0 LEU-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1265 1.0 LEU-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1266 1.0 LEU-C:CA -0.28470 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1267 1.0 LEU-C:HA 0.13460 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1268 1.0 LEU-C:CB -0.24690 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1269 1.0 LEU-C:1HB 0.09740 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1270 1.0 LEU-C:2HB 0.09740 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1271 1.0 LEU-C:CG 0.37060 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1272 1.0 LEU-C:HG -0.03740 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1273 1.0 LEU-C:CD1 -0.41630 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1274 1.0 LEU-C:1HD1 0.10380 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1275 1.0 LEU-C:2HD1 0.10380 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1276 1.0 LEU-C:3HD1 0.10380 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1277 1.0 LEU-C:CD2 -0.41630 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1278 1.0 LEU-C:1HD2 0.10380 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1279 1.0 LEU-C:2HD2 0.10380 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1280 1.0 LEU-C:3HD2 0.10380 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1281 1.0 LEU-C:C 0.83260 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1282 1.0 LEU-C:O -0.81990 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1283 1.0 LEU-C:OXT -0.81990 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1284 1.0 ILE-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1285 1.0 ILE-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1286 1.0 ILE-C:CA -0.31000 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1287 1.0 ILE-C:HA 0.13750 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1288 1.0 ILE-C:CB 0.03630 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1289 1.0 ILE-C:HB 0.07660 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1290 1.0 ILE-C:CG2 -0.34980 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1291 1.0 ILE-C:1HG2 0.10210 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1292 1.0 ILE-C:2HG2 0.10210 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1293 1.0 ILE-C:3HG2 0.10210 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1294 1.0 ILE-C:CG1 -0.03230 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1295 1.0 ILE-C:1HG1 0.03210 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1296 1.0 ILE-C:2HG1 0.03210 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1297 1.0 ILE-C:CD1 -0.06990 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1298 1.0 ILE-C:1HD1 0.01960 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1299 1.0 ILE-C:2HD1 0.01960 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1300 1.0 ILE-C:3HD1 0.01960 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1301 1.0 ILE-C:C 0.83430 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1302 1.0 ILE-C:O -0.81900 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1303 1.0 ILE-C:OXT -0.81900 O2 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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|
1304 1.0 NME-C:N -0.41570 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1305 1.0 NME-C:H 0.27190 H |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1306 1.0 NME-C:CH3 -0.14900 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1307 1.0 NME-C:1HH3 0.09760 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1308 1.0 NME-C:2HH3 0.09760 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1309 1.0 NME-C:3HH3 0.09760 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1310 1.0 VAL-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1311 1.0 VAL-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1312 1.0 VAL-C:CA -0.34380 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1313 1.0 VAL-C:HA 0.14380 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1314 1.0 VAL-C:CB 0.19400 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1315 1.0 VAL-C:HB 0.03080 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1316 1.0 VAL-C:CG1 -0.30640 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1317 1.0 VAL-C:1HG1 0.08360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1318 1.0 VAL-C:2HG1 0.08360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1319 1.0 VAL-C:3HG1 0.08360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1320 1.0 VAL-C:CG2 -0.30640 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1321 1.0 VAL-C:1HG2 0.08360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1322 1.0 VAL-C:2HG2 0.08360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1323 1.0 VAL-C:3HG2 0.08360 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1324 1.0 VAL-C:C 0.83500 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1325 1.0 VAL-C:O -0.81730 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1326 1.0 VAL-C:OXT -0.81730 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1327 1.0 ASN-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1328 1.0 ASN-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1329 1.0 ASN-C:CA -0.20800 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1330 1.0 ASN-C:HA 0.13580 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1331 1.0 ASN-C:CB -0.22990 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1332 1.0 ASN-C:1HB 0.10230 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1333 1.0 ASN-C:2HB 0.10230 HC |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1334 1.0 ASN-C:CG 0.71530 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1335 1.0 ASN-C:OD1 -0.60100 O |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1336 1.0 ASN-C:ND2 -0.90840 N |
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CADDSuite version 1.5
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parents:
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1337 1.0 ASN-C:1HD2 0.41500 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1338 1.0 ASN-C:2HD2 0.41500 H |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1339 1.0 ASN-C:C 0.80500 C |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1340 1.0 ASN-C:O -0.81470 O2 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1341 1.0 ASN-C:OXT -0.81470 O2 |
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CADDSuite version 1.5
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parents:
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1342 1.0 GLN-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1343 1.0 GLN-C:H 0.26810 H |
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CADDSuite version 1.5
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parents:
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1344 1.0 GLN-C:CA -0.22480 CT |
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CADDSuite version 1.5
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parents:
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1345 1.0 GLN-C:HA 0.12320 H1 |
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CADDSuite version 1.5
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parents:
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1346 1.0 GLN-C:CB -0.06640 CT |
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CADDSuite version 1.5
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parents:
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1347 1.0 GLN-C:1HB 0.04520 HC |
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CADDSuite version 1.5
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parents:
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1348 1.0 GLN-C:2HB 0.04520 HC |
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CADDSuite version 1.5
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parents:
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CADDSuite version 1.5
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CADDSuite version 1.5
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1352 1.0 GLN-C:CD 0.70930 C |
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CADDSuite version 1.5
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1353 1.0 GLN-C:OE1 -0.60980 O |
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CADDSuite version 1.5
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parents:
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1354 1.0 GLN-C:NE2 -0.95740 N |
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CADDSuite version 1.5
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parents:
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1355 1.0 GLN-C:1HE2 0.43040 H |
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CADDSuite version 1.5
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1356 1.0 GLN-C:2HE2 0.43040 H |
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CADDSuite version 1.5
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parents:
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1357 1.0 GLN-C:C 0.77750 C |
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CADDSuite version 1.5
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parents:
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1358 1.0 GLN-C:O -0.80420 O2 |
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CADDSuite version 1.5
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parents:
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1359 1.0 GLN-C:OXT -0.80420 O2 |
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CADDSuite version 1.5
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1360 1.0 ARG-C:N -0.34810 N |
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CADDSuite version 1.5
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1361 1.0 ARG-C:H 0.27640 H |
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CADDSuite version 1.5
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1362 1.0 ARG-C:CA -0.30680 CT |
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CADDSuite version 1.5
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parents:
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1363 1.0 ARG-C:HA 0.14470 H1 |
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CADDSuite version 1.5
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parents:
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1364 1.0 ARG-C:CB -0.03740 CT |
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CADDSuite version 1.5
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parents:
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1365 1.0 ARG-C:1HB 0.03710 HC |
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CADDSuite version 1.5
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parents:
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1366 1.0 ARG-C:2HB 0.03710 HC |
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CADDSuite version 1.5
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1367 1.0 ARG-C:CG 0.07440 CT |
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CADDSuite version 1.5
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1368 1.0 ARG-C:1HG 0.01850 HC |
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CADDSuite version 1.5
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parents:
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1369 1.0 ARG-C:2HG 0.01850 HC |
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CADDSuite version 1.5
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parents:
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1370 1.0 ARG-C:CD 0.11140 CT |
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CADDSuite version 1.5
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1371 1.0 ARG-C:1HD 0.04680 H1 |
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CADDSuite version 1.5
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parents:
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1372 1.0 ARG-C:2HD 0.04680 H1 |
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CADDSuite version 1.5
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parents:
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1373 1.0 ARG-C:NE -0.55640 N2 |
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CADDSuite version 1.5
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parents:
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1374 1.0 ARG-C:HE 0.34790 H |
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CADDSuite version 1.5
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1375 1.0 ARG-C:CZ 0.83680 CA |
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CADDSuite version 1.5
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parents:
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1376 1.0 ARG-C:NH1 -0.87370 N2 |
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CADDSuite version 1.5
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parents:
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1377 1.0 ARG-C:1HH1 0.44930 H |
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CADDSuite version 1.5
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1378 1.0 ARG-C:2HH1 0.44930 H |
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CADDSuite version 1.5
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parents:
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1379 1.0 ARG-C:NH2 -0.87370 N2 |
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CADDSuite version 1.5
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1380 1.0 ARG-C:1HH2 0.44930 H |
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CADDSuite version 1.5
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1381 1.0 ARG-C:2HH2 0.44930 H |
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CADDSuite version 1.5
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parents:
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1382 1.0 ARG-C:C 0.85570 C |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1383 1.0 ARG-C:O -0.82660 O2 |
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CADDSuite version 1.5
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parents:
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1384 1.0 ARG-C:OXT -0.82660 O2 |
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CADDSuite version 1.5
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parents:
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1385 1.0 HIS-C:N -0.34810 N |
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CADDSuite version 1.5
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parents:
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1386 1.0 HIS-C:H 0.27640 H |
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CADDSuite version 1.5
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parents:
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1387 1.0 HIS-C:CA -0.14450 CT |
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CADDSuite version 1.5
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parents:
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1388 1.0 HIS-C:HA 0.11150 H1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1389 1.0 HIS-C:CB -0.08000 CT |
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CADDSuite version 1.5
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parents:
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1390 1.0 HIS-C:1HB 0.08680 HC |
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CADDSuite version 1.5
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parents:
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1391 1.0 HIS-C:2HB 0.08680 HC |
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CADDSuite version 1.5
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parents:
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1392 1.0 HIS-C:CG 0.02980 CC |
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CADDSuite version 1.5
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parents:
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1393 1.0 HIS-C:ND1 -0.15010 NA |
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CADDSuite version 1.5
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parents:
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1394 1.0 HIS-C:HD1 0.38830 H |
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CADDSuite version 1.5
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parents:
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1395 1.0 HIS-C:CE1 -0.02510 CR |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1396 1.0 HIS-C:HE1 0.26940 H5 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1397 1.0 HIS-C:NE2 -0.16830 NA |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1398 1.0 HIS-C:CD2 -0.12560 CW |
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CADDSuite version 1.5
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parents:
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1399 1.0 HIS-C:HD2 0.23360 H4 |
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CADDSuite version 1.5
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parents:
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1400 1.0 HIS-C:C 0.80320 C |
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CADDSuite version 1.5
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parents:
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1401 1.0 HIS-C:O -0.81770 O2 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1402 1.0 HIS-C:OXT -0.81770 O2 |
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CADDSuite version 1.5
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parents:
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1403 1.0 HIS-C:N -0.34810 N |
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CADDSuite version 1.5
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parents:
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1404 1.0 HIS-C:H 0.27640 H |
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CADDSuite version 1.5
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parents:
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1405 1.0 HIS-C:CA -0.14450 CT |
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CADDSuite version 1.5
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parents:
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1406 1.0 HIS-C:HA 0.11150 H1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1407 1.0 HIS-C:CB -0.08000 CT |
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CADDSuite version 1.5
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parents:
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1408 1.0 HIS-C:1HB 0.08680 HC |
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CADDSuite version 1.5
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parents:
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1409 1.0 HIS-C:2HB 0.08680 HC |
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CADDSuite version 1.5
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parents:
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1410 1.0 HIS-C:CG 0.02980 CC |
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CADDSuite version 1.5
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parents:
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1411 1.0 HIS-C:ND1 -0.15010 NA |
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CADDSuite version 1.5
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parents:
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1412 1.0 HIS-C:CE1 -0.02510 CR |
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CADDSuite version 1.5
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parents:
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1413 1.0 HIS-C:HE1 0.26940 H5 |
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CADDSuite version 1.5
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parents:
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1414 1.0 HIS-C:NE2 -0.16830 NA |
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CADDSuite version 1.5
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parents:
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1415 1.0 HIS-C:HE2 0.39130 H |
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CADDSuite version 1.5
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parents:
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1416 1.0 HIS-C:CD2 -0.12560 CW |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1417 1.0 HIS-C:HD2 0.23360 H4 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1418 1.0 HIS-C:C 0.80320 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1419 1.0 HIS-C:O -0.81770 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1420 1.0 HIS-C:OXT -0.81770 O2 |
ac342506cd4e
CADDSuite version 1.5
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parents:
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1421 1.0 HIS-C:N -0.34810 N |
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CADDSuite version 1.5
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parents:
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1422 1.0 HIS-C:H 0.27640 H |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1423 1.0 HIS-C:CA -0.14450 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1424 1.0 HIS-C:HA 0.11150 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1425 1.0 HIS-C:CB -0.08000 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1426 1.0 HIS-C:1HB 0.08680 HC |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1427 1.0 HIS-C:2HB 0.08680 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1428 1.0 HIS-C:CG 0.02980 CC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1429 1.0 HIS-C:ND1 -0.15010 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1430 1.0 HIS-C:HD1 0.38830 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1431 1.0 HIS-C:CE1 -0.02510 CR |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1432 1.0 HIS-C:HE1 0.26940 H5 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1433 1.0 HIS-C:NE2 -0.16830 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1434 1.0 HIS-C:HE2 0.39130 H |
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CADDSuite version 1.5
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parents:
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|
1435 1.0 HIS-C:CD2 -0.12560 CW |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1436 1.0 HIS-C:HD2 0.23360 H4 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1437 1.0 HIS-C:C 0.80320 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1438 1.0 HIS-C:O -0.81770 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1439 1.0 HIS-C:OXT -0.81770 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1440 1.0 TRP-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1441 1.0 TRP-C:H 0.26810 H |
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CADDSuite version 1.5
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parents:
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1442 1.0 TRP-C:CA -0.20840 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1443 1.0 TRP-C:HA 0.12720 H1 |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1444 1.0 TRP-C:CB -0.07420 CT |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1445 1.0 TRP-C:1HB 0.04970 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1446 1.0 TRP-C:2HB 0.04970 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1447 1.0 TRP-C:CG -0.07960 C* |
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CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1448 1.0 TRP-C:CD1 -0.18080 CW |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1449 1.0 TRP-C:HD1 0.20430 H4 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1450 1.0 TRP-C:NE1 -0.33160 NA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1451 1.0 TRP-C:HE1 0.34130 H |
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CADDSuite version 1.5
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parents:
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1452 1.0 TRP-C:CE2 0.12220 CN |
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CADDSuite version 1.5
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parents:
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1453 1.0 TRP-C:CZ2 -0.25940 CA |
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CADDSuite version 1.5
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parents:
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|
1454 1.0 TRP-C:HZ2 0.15670 HA |
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CADDSuite version 1.5
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parents:
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1455 1.0 TRP-C:CH2 -0.10200 CA |
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CADDSuite version 1.5
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parents:
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1456 1.0 TRP-C:HH2 0.14010 HA |
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CADDSuite version 1.5
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parents:
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1457 1.0 TRP-C:CZ3 -0.22870 CA |
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CADDSuite version 1.5
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parents:
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1458 1.0 TRP-C:HZ3 0.15070 HA |
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CADDSuite version 1.5
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parents:
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1459 1.0 TRP-C:CE3 -0.18370 CA |
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CADDSuite version 1.5
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parents:
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1460 1.0 TRP-C:HE3 0.14910 HA |
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CADDSuite version 1.5
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parents:
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1461 1.0 TRP-C:CD2 0.10780 CB |
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CADDSuite version 1.5
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parents:
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1462 1.0 TRP-C:C 0.76580 C |
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CADDSuite version 1.5
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parents:
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1463 1.0 TRP-C:O -0.80110 O2 |
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CADDSuite version 1.5
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parents:
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1464 1.0 TRP-C:OXT -0.80110 O2 |
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CADDSuite version 1.5
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parents:
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1465 1.0 PHE-C:N -0.38210 N |
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CADDSuite version 1.5
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parents:
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1466 1.0 PHE-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1467 1.0 PHE-C:CA -0.18250 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1468 1.0 PHE-C:HA 0.10980 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1469 1.0 PHE-C:CB -0.09590 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1470 1.0 PHE-C:1HB 0.04430 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1471 1.0 PHE-C:2HB 0.04430 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1472 1.0 PHE-C:CG 0.05520 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1473 1.0 PHE-C:CD1 -0.13000 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1474 1.0 PHE-C:HD1 0.14080 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1475 1.0 PHE-C:CE1 -0.18470 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1476 1.0 PHE-C:HE1 0.14610 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1477 1.0 PHE-C:CZ -0.09440 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1478 1.0 PHE-C:HZ 0.12800 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1479 1.0 PHE-C:CE2 -0.18470 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1480 1.0 PHE-C:HE2 0.14610 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1481 1.0 PHE-C:CD2 -0.13000 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1482 1.0 PHE-C:HD2 0.14080 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1483 1.0 PHE-C:C 0.76600 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1484 1.0 PHE-C:O -0.80260 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1485 1.0 PHE-C:OXT -0.80260 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1486 1.0 TYR-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1487 1.0 TYR-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1488 1.0 TYR-C:CA -0.20150 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1489 1.0 TYR-C:HA 0.10920 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1490 1.0 TYR-C:CB -0.07520 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1491 1.0 TYR-C:1HB 0.04900 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1492 1.0 TYR-C:2HB 0.04900 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1493 1.0 TYR-C:CG 0.02430 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1494 1.0 TYR-C:CD1 -0.19220 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1495 1.0 TYR-C:HD1 0.17800 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1496 1.0 TYR-C:CE1 -0.24580 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1497 1.0 TYR-C:HE1 0.16730 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1498 1.0 TYR-C:CZ 0.33950 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1499 1.0 TYR-C:OH -0.56430 OH |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1500 1.0 TYR-C:HH 0.40170 HO |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1501 1.0 TYR-C:CE2 -0.24580 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1502 1.0 TYR-C:HE2 0.16730 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1503 1.0 TYR-C:CD2 -0.19220 CA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1504 1.0 TYR-C:HD2 0.17800 HA |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1505 1.0 TYR-C:C 0.78170 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1506 1.0 TYR-C:O -0.80700 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1507 1.0 TYR-C:OXT -0.80700 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1508 1.0 GLU-C:N -0.51920 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1509 1.0 GLU-C:H 0.30550 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1510 1.0 GLU-C:CA -0.20590 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1511 1.0 GLU-C:HA 0.13990 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1512 1.0 GLU-C:CB 0.00710 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1513 1.0 GLU-C:1HB -0.00780 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1514 1.0 GLU-C:2HB -0.00780 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1515 1.0 GLU-C:CG 0.06750 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1516 1.0 GLU-C:1HG -0.05480 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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1517 1.0 GLU-C:2HG -0.05480 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1518 1.0 GLU-C:CD 0.81830 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1519 1.0 GLU-C:OE1 -0.82200 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1520 1.0 GLU-C:OE2 -0.82200 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1521 1.0 GLU-C:C 0.74200 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1522 1.0 GLU-C:O -0.79300 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1523 1.0 GLU-C:OXT -0.79300 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1524 1.0 ASP-C:N -0.51920 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1525 1.0 ASP-C:H 0.30550 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1526 1.0 ASP-C:CA -0.18170 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1527 1.0 ASP-C:HA 0.10460 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1528 1.0 ASP-C:CB -0.06770 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1529 1.0 ASP-C:1HB -0.02120 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1530 1.0 ASP-C:2HB -0.02120 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1531 1.0 ASP-C:CG 0.88510 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1532 1.0 ASP-C:OD1 -0.81620 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1533 1.0 ASP-C:OD2 -0.81620 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1534 1.0 ASP-C:C 0.72560 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1535 1.0 ASP-C:O -0.78870 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1536 1.0 ASP-C:OXT -0.78870 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1537 1.0 LYS-C:N -0.34810 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1538 1.0 LYS-C:H 0.27640 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1539 1.0 LYS-C:CA -0.29030 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1540 1.0 LYS-C:HA 0.14380 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1541 1.0 LYS-C:CB -0.05380 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1542 1.0 LYS-C:1HB 0.04820 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1543 1.0 LYS-C:2HB 0.04820 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1544 1.0 LYS-C:CG 0.02270 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1545 1.0 LYS-C:1HG 0.01340 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1546 1.0 LYS-C:2HG 0.01340 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1547 1.0 LYS-C:CD -0.03920 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1548 1.0 LYS-C:1HD 0.06110 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1549 1.0 LYS-C:2HD 0.06110 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1550 1.0 LYS-C:CE -0.01760 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1551 1.0 LYS-C:1HE 0.11210 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1552 1.0 LYS-C:2HE 0.11210 HP |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1553 1.0 LYS-C:NZ -0.37410 N3 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1554 1.0 LYS-C:1HZ 0.33740 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1555 1.0 LYS-C:2HZ 0.33740 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1556 1.0 LYS-C:3HZ 0.33740 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1557 1.0 LYS-C:C 0.84880 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1558 1.0 LYS-C:O -0.82520 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1559 1.0 LYS-C:OXT -0.82520 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1560 1.0 PRO-C:N -0.28020 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1561 1.0 PRO-C:CD 0.04340 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1562 1.0 PRO-C:1HD 0.03310 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1563 1.0 PRO-C:2HD 0.03310 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1564 1.0 PRO-C:CG 0.04660 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1565 1.0 PRO-C:1HG 0.01720 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1566 1.0 PRO-C:2HG 0.01720 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1567 1.0 PRO-C:CB -0.05430 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1568 1.0 PRO-C:1HB 0.03810 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1569 1.0 PRO-C:2HB 0.03810 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1570 1.0 PRO-C:CA -0.13360 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1571 1.0 PRO-C:HA 0.07760 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1572 1.0 PRO-C:C 0.66310 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1573 1.0 PRO-C:O -0.76970 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1574 1.0 PRO-C:OXT -0.76970 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1575 1.0 CYS-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1576 1.0 CYS-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1577 1.0 CYS-C:CA -0.16350 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1578 1.0 CYS-C:HA 0.13960 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1579 1.0 CYS-C:CB -0.19960 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1580 1.0 CYS-C:1HB 0.14370 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1581 1.0 CYS-C:2HB 0.14370 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1582 1.0 CYS-C:SG -0.31020 SH |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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1583 1.0 CYS-C:HSG 0.20680 HS |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1584 1.0 CYS-C:C 0.74970 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1585 1.0 CYS-C:O -0.79810 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1586 1.0 CYS-C:OXT -0.79810 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1587 1.0 CYS-CS:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1588 1.0 CYS-CS:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1589 1.0 CYS-CS:CA -0.13180 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1590 1.0 CYS-CS:HA 0.09380 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1591 1.0 CYS-CS:CB -0.19430 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1592 1.0 CYS-CS:1HB 0.12280 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1593 1.0 CYS-CS:2HB 0.12280 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1594 1.0 CYS-CS:SG -0.05290 S |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1595 1.0 CYS-CS:C 0.76180 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1596 1.0 CYS-CS:O -0.80410 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1597 1.0 CYS-CS:OXT -0.80410 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1598 1.0 MET-C:N -0.38210 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1599 1.0 MET-C:H 0.26810 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1600 1.0 MET-C:CA -0.25970 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1601 1.0 MET-C:HA 0.12770 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1602 1.0 MET-C:CB -0.02360 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1603 1.0 MET-C:1HB 0.04800 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1604 1.0 MET-C:2HB 0.04800 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1605 1.0 MET-C:CG 0.04920 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1606 1.0 MET-C:1HG 0.03170 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1607 1.0 MET-C:2HG 0.03170 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1608 1.0 MET-C:SD -0.26920 S |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1609 1.0 MET-C:CE -0.03760 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1610 1.0 MET-C:1HE 0.06250 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1611 1.0 MET-C:2HE 0.06250 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1612 1.0 MET-C:3HE 0.06250 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1613 1.0 MET-C:C 0.80130 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1614 1.0 MET-C:O -0.81050 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1615 1.0 MET-C:OXT -0.81050 O2 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1616 1.0 CA:CA 2.00000 C0 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1617 1.0 MG:MG 2.00000 MG |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
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|
1618 1.0 CH4-M:C 0.00000 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1619 1.0 CH4-M:1H 0.00000 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1620 1.0 CH4-M:2H 0.00000 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1621 1.0 CH4-M:3H 0.00000 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1622 1.0 CH4-M:4H 0.00000 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1623 1.0 PCA:N -0.720984 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1624 1.0 PCA:H 0.374677 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1625 1.0 PCA:CA -0.025874 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1626 1.0 PCA:C 0.865161 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1627 1.0 PCA:O -0.798202 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1628 1.0 PCA:CB 0.114954 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1629 1.0 PCA:CG -0.126748 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1630 1.0 PCA:CD 0.770356 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1631 1.0 PCA:OE -0.682912 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1632 1.0 PCA:HA 0.039708 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1633 1.0 PCA:1HB 0.000266 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1634 1.0 PCA:2HB -0.031861 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1635 1.0 PCA:1HG 0.034072 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1636 1.0 PCA:2HG 0.025655 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1637 1.0 PCA:OXT -0.838268 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1638 1.0 PCA-N:N -0.720984 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1639 1.0 PCA-N:H 0.374677 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1640 1.0 PCA-N:CA -0.025874 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1641 1.0 PCA-N:C 0.865161 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1642 1.0 PCA-N:O -0.798202 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1643 1.0 PCA-N:CB 0.114954 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1644 1.0 PCA-N:CG -0.126748 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1645 1.0 PCA-N:CD 0.770356 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1646 1.0 PCA-N:OE -0.682912 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1647 1.0 PCA-N:HA 0.039708 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1648 1.0 PCA-N:1HB 0.000266 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1649 1.0 PCA-N:2HB -0.031861 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1650 1.0 PCA-N:1HG 0.034072 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1651 1.0 PCA-N:2HG 0.025655 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1652 1.0 PCA-M:N -0.720984 N |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1653 1.0 PCA-M:H 0.374677 H |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1654 1.0 PCA-M:CA -0.025874 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1655 1.0 PCA-M:C 0.865161 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1656 1.0 PCA-M:O -0.798202 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1657 1.0 PCA-M:CB 0.114954 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1658 1.0 PCA-M:CG -0.126748 CT |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1659 1.0 PCA-M:CD 0.770356 C |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
changeset
|
1660 1.0 PCA-M:OE -0.682912 O |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1661 1.0 PCA-M:HA 0.039708 H1 |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1662 1.0 PCA-M:1HB 0.000266 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1663 1.0 PCA-M:2HB -0.031861 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1664 1.0 PCA-M:1HG 0.034072 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1665 1.0 PCA-M:2HG 0.025655 HC |
ac342506cd4e
CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
parents:
diff
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|
1666 1.0 PCA-M:OXT -0.838268 O |