caddsuite_linux_x86_64: CADDSuite/data/Amber/amber96-docking.ini annotate

author	marcel
date	Tue, 07 Jun 2011 16:43:30 -0400
parents
children

rev	line source
0 bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	1 ; This file contains parameter needed for nonbonded ScoringComponents.
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	2 ; The parameters were converted from parm96.dat using amber2ini and all sections for bonded parameters were removed since are not needed for docking.
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	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.
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	4
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	5 [Options]
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	6 key:0
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	7 @SCEE=1.2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	8 ; please check the settings for SCEE! AMBER91/89a requires a value of 2.0 here!
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	9
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	10
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	11
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	12
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	13 [HydrophilicTypes]
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	14 ; ignored
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	15 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	16 C H HO N NA NB NC N2 NT N2 N3 N* O OH OS P O2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	17
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	18
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	19 [HydrogenBonds]
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	20 ver:version key:I key:J value:A value:B
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	21 @unit_A=kcal/mol*A^12
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	22 @unit_B=kcal/mol*A^10
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	23 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	24 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	25 ; Rev I J A B
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	26 ; --- --- --- ---------- ----------
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	27 1.0 HW OW 0.0000 0.0000
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	28
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	29
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	30 [AtomTypes]
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	31 value:ver key:type value:mass value:comment
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	32 @unit=g/mol
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	33 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	34 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	35 ; Rev Type mass comment
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	36 ; --- ---- ---------- ----------------------------------
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	37 1.0 BR 79.90000 "bromine"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	38 1.0 C 12.01000 "sp2 C carbonyl group "
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	39 1.0 F 19.00000 "fluorine"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	40 1.0 I 126.90000 "iodine"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	41 1.0 H 1.00800 "H bonded to nitrogen atoms"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	42 1.0 IM 35.45000 "assumed to be Cl-"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	43 1.0 IP 22.99000 "assumed to be Na+"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	44 1.0 IB 131.00000 "'big ion w/ waters' for vacuum (Na+, 6H2O)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	45 1.0 N 14.01000 "sp2 nitrogen in amide groups"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	46 1.0 O 16.00000 "carbonyl group oxygen"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	47 1.0 P 30.97000 "phosphate"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	48 1.0 S 32.06000 "sulphur in disulfide linkage"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	49 1.0 Cu 63.55000 "copper"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	50 1.0 Fe 55.00000 "iron"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	51 1.0 Li 6.94000 "lithium"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	52 1.0 K 39.10000 "potassium"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	53 1.0 Rb 85.47000 "rubidium"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	54 1.0 Cs 132.91000 "cesium"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	55 ant Cl 35.450 "same as cl"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	56 2.0 Ca 40.08000 "calcium"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	57 1.0 Mg 24.30500 "magnesium"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	58 ant Zn 65.4 "Zn2+, taken from parm99.dat (antechamber)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	59
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	60
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	61 [LennardJones]
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	62 ver:version key:I value:R value:epsilon
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	63 @unit_R=Angstrom
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	64 @unit_epsilon=kcal/mol
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	65 @format=RE
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	66 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	67 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	68 ; Rev I R epsilon comment
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	69 ; --- --- ---------- ---------- -------------------------
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	70 1.0 Ca 1.600000 0.100000 " calcium from parm91.dat"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	71 1.0 H 0.600000 0.015700 " !Ferguson base pair geom."
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	72 1.0 O 1.661200 0.210000 " OPLS"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	73 1.0 C 1.908000 0.086000 " OPLS"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	74 1.0 N 1.824000 0.170000 " OPLS"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	75 1.0 S 2.000000 0.250000 " W. Cornell CH3SH and CH3SCH3 FEP's"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	76 1.0 P 2.100000 0.200000 " JCC,7,(1986),230;"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	77 1.0 IM 2.470000 0.100000 " Cl- Smith & Dang, JCP 1994,100:5,3757"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	78 1.0 IB 5.000000 0.100000 " solvated ion for vacuum approximation"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	79 1.0 Li 1.137000 0.018300 " Li+ Aqvist JPC 1990,94,8021. (adapted)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	80 1.0 IP 1.868000 0.002770 " Na+ Aqvist JPC 1990,94,8021. (adapted)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	81 1.0 K 2.658000 0.000328 " K+ Aqvist JPC 1990,94,8021. (adapted)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	82 1.0 Rb 2.956000 0.000170 " Rb+ Aqvist JPC 1990,94,8021. (adapted)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	83 1.0 Cs 3.395000 0.000081 " Cs+ Aqvist JPC 1990,94,8021. (adapted)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	84 1.0 I 2.350000 0.400000 " JCC,7,(1986),230;"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	85 1.0 F 1.750000 0.061000 " Gough et al. JCC 13,(1992),963."
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	86 ant Cl 2.47 0.1 " Cl- Smith & Dang, JCP 1994,100:5,3757, taken from parm99.dat (antechamber)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	87 ant Zn 1.10 0.0125 " Zn2+, Merz,PAK, JACS,113,8262,(1991), taken from parm99.dat (antechamber)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	88 ant Mg 0.7926 0.8947 " Mg2+ Aqvist JPC 1990,94,8021.(adapted), taken from parm99.dat (antechamber)"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	89 ; ant Cl 1.9480 0.2650 "same as cl"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	90 ; 1.0 Mg 1.170000 0.100000 " magnesium from parm91.dat"
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	91
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	92
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	93 [ResidueImproperTorsions]
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	94 key:name
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	95 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	96 ;
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	97 ; res:atom
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	98 ; -------------
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	99 ALA:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	100 ALA:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	101 GLY:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	102 GLY:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	103 SER:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	104 SER:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	105 THR:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	106 THR:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	107 LEU:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	108 LEU:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	109 ILE:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	110 ILE:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	111 VAL:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	112 VAL:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	113 ASN:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	114 ASN:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	115 ASN:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	116 ASN:ND2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	117 GLN:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	118 GLN:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	119 GLN:CD
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	120 GLN:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	121 ARG:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	122 ARG:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	123 ARG:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	124 ARG:NE
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	125 ARG:NH1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	126 ARG:NH2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	127 HIS:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	128 HIS:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	129 HIS:ND1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	130 HIS:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	131 HIS:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	132 HIS:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	133 HIS:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	134 HIS:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	135 HIS:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	136 HIS:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	137 HIS:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	138 HIS:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	139 HIS:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	140 HIS:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	141 HIS:ND1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	142 HIS:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	143 HIS:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	144 HIS:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	145 HIS:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	146 TRP:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	147 TRP:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	148 TRP:NE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	149 TRP:CZ2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	150 TRP:CH2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	151 TRP:CZ3
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	152 TRP:CE3
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	153 TRP:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	154 TRP:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	155 PHE:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	156 PHE:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	157 PHE:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	158 PHE:CE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	159 PHE:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	160 PHE:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	161 PHE:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	162 PHE:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	163 TYR:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	164 TYR:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	165 TYR:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	166 TYR:CE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	167 TYR:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	168 TYR:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	169 TYR:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	170 TYR:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	171 GLU:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	172 GLU:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	173 GLU:CD
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	174 ASP:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	175 ASP:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	176 ASP:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	177 LYS:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	178 LYS:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	179 LYN:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	180 LYN:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	181 PRO:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	182 PRO:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	183 CYS:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	184 CYS:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	185 CYM:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	186 CYM:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	187 CYS-S:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	188 CYS-S:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	189 MET:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	190 MET:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	191 ACE:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	192 NME:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	193 ASH:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	194 ASH:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	195 ASH:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	196 GLH:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	197 GLH:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	198 GLH:CD
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	199 ALA-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	200 GLY-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	201 SER-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	202 THR-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	203 LEU-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	204 ILE-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	205 VAL-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	206 ASN-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	207 ASN-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	208 ASN-N:ND2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	209 GLN-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	210 GLN-N:CD
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	211 GLN-N:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	212 ARG-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	213 ARG-N:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	214 ARG-N:NE
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	215 ARG-N:NH1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	216 ARG-N:NH2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	217 HIS-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	218 HIS-N:ND1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	219 HIS-N:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	220 HIS-N:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	221 HIS-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	222 HIS-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	223 HIS-N:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	224 HIS-N:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	225 HIS-N:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	226 HIS-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	227 HIS-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	228 HIS-N:ND1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	229 HIS-N:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	230 HIS-N:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	231 HIS-N:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	232 HIS-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	233 TRP-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	234 TRP-N:NE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	235 TRP-N:CZ2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	236 TRP-N:CH2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	237 TRP-N:CZ3
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	238 TRP-N:CE3
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	239 TRP-N:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	240 TRP-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	241 PHE-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	242 PHE-N:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	243 PHE-N:CE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	244 PHE-N:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	245 PHE-N:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	246 PHE-N:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	247 PHE-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	248 TYR-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	249 TYR-N:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	250 TYR-N:CE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	251 TYR-N:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	252 TYR-N:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	253 TYR-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	254 TYR-N:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	255 GLU-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	256 GLU-N:CD
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	257 ASP-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	258 ASP-N:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	259 LYS-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	260 PRO-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	261 CYS-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	262 CYS-NS:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	263 MET-N:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	264 ALA-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	265 ALA-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	266 GLY-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	267 GLY-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	268 SER-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	269 SER-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	270 THR-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	271 THR-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	272 LEU-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	273 LEU-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	274 ILE-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	275 ILE-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	276 VAL-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	277 VAL-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	278 ASN-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	279 ASN-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	280 ASN-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	281 ASN-C:ND2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	282 GLN-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	283 GLN-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	284 GLN-C:CD
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	285 GLN-C:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	286 ARG-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	287 ARG-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	288 ARG-C:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	289 ARG-C:NE
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	290 ARG-C:NH1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	291 ARG-C:NH2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	292 HIS-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	293 HIS-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	294 HIS-C:ND1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	295 HIS-C:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	296 HIS-C:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	297 HIS-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	298 HIS-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	299 HIS-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	300 HIS-C:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	301 HIS-C:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	302 HIS-C:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	303 HIS-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	304 HIS-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	305 HIS-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	306 HIS-C:ND1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	307 HIS-C:NE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	308 HIS-C:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	309 HIS-C:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	310 HIS-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	311 TRP-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	312 TRP-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	313 TRP-C:NE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	314 TRP-C:CZ2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	315 TRP-C:CH2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	316 TRP-C:CZ3
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	317 TRP-C:CE3
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	318 TRP-C:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	319 TRP-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	320 PHE-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	321 PHE-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	322 PHE-C:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	323 PHE-C:CE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	324 PHE-C:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	325 PHE-C:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	326 PHE-C:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	327 PHE-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	328 TYR-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	329 TYR-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	330 TYR-C:CD2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	331 TYR-C:CE2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	332 TYR-C:CE1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	333 TYR-C:CD1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	334 TYR-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	335 TYR-C:CZ
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	336 GLU-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	337 GLU-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	338 GLU-C:CD
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	339 ASP-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	340 ASP-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	341 ASP-C:CG
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	342 LYS-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	343 LYS-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	344 PRO-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	345 PRO-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	346 CYS-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	347 CYS-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	348 CYS-CS:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	349 CYS-CS:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	350 MET-C:N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	351 MET-C:C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	352
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	353 [ChargesAndTypeNames]
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	354 ver:version key:name value:q value:type
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	355 @unit_q=e0
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	356 1.0 ALA:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	357 1.0 ALA:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	358 1.0 ALA:CA 0.03370 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	359 1.0 ALA:HA 0.08230 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	360 1.0 ALA:CB -0.18250 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	361 1.0 ALA:1HB 0.06030 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	362 1.0 ALA:2HB 0.06030 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	363 1.0 ALA:3HB 0.06030 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	364 1.0 ALA:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	365 1.0 ALA:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	366 1.0 GLY:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	367 1.0 GLY:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	368 1.0 GLY:CA -0.02520 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	369 1.0 GLY:1HA 0.06980 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	370 1.0 GLY:2HA 0.06980 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	371 1.0 GLY:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	372 1.0 GLY:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	373 1.0 SER:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	374 1.0 SER:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	375 1.0 SER:CA -0.02490 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	376 1.0 SER:HA 0.08430 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	377 1.0 SER:CB 0.21170 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	378 1.0 SER:1HB 0.03520 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	379 1.0 SER:2HB 0.03520 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	380 1.0 SER:OG -0.65460 OH
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	381 1.0 SER:HG 0.42750 HO
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	382 1.0 SER:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	383 1.0 SER:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	384 1.0 THR:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	385 1.0 THR:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	386 1.0 THR:CA -0.03890 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	387 1.0 THR:HA 0.10070 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	388 1.0 THR:CB 0.36540 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	389 1.0 THR:HB 0.00430 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	390 1.0 THR:CG2 -0.24380 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	391 1.0 THR:1HG2 0.06420 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	392 1.0 THR:2HG2 0.06420 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	393 1.0 THR:3HG2 0.06420 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	394 1.0 THR:OG1 -0.67610 OH
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	395 1.0 THR:HG1 0.41020 HO
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	396 1.0 THR:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	397 1.0 THR:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	398 1.0 LEU:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	399 1.0 LEU:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	400 1.0 LEU:CA -0.05180 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	401 1.0 LEU:HA 0.09220 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	402 1.0 LEU:CB -0.11020 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	403 1.0 LEU:1HB 0.04570 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	404 1.0 LEU:2HB 0.04570 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	405 1.0 LEU:CG 0.35310 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	406 1.0 LEU:HG -0.03610 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	407 1.0 LEU:CD1 -0.41210 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	408 1.0 LEU:1HD1 0.10000 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	409 1.0 LEU:2HD1 0.10000 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	410 1.0 LEU:3HD1 0.10000 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	411 1.0 LEU:CD2 -0.41210 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	412 1.0 LEU:1HD2 0.10000 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	413 1.0 LEU:2HD2 0.10000 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	414 1.0 LEU:3HD2 0.10000 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	415 1.0 LEU:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	416 1.0 LEU:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	417 1.0 ILE:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	418 1.0 ILE:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	419 1.0 ILE:CA -0.05970 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	420 1.0 ILE:HA 0.08690 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	421 1.0 ILE:CB 0.13030 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	422 1.0 ILE:HB 0.01870 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	423 1.0 ILE:CG2 -0.32040 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	424 1.0 ILE:1HG2 0.08820 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	425 1.0 ILE:2HG2 0.08820 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	426 1.0 ILE:3HG2 0.08820 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	427 1.0 ILE:CG1 -0.04300 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	428 1.0 ILE:1HG1 0.02360 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	429 1.0 ILE:2HG1 0.02360 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	430 1.0 ILE:CD1 -0.06600 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	431 1.0 ILE:1HD1 0.01860 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	432 1.0 ILE:2HD1 0.01860 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	433 1.0 ILE:3HD1 0.01860 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	434 1.0 ILE:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	435 1.0 ILE:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	436 1.0 VAL:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	437 1.0 VAL:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	438 1.0 VAL:CA -0.08750 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	439 1.0 VAL:HA 0.09690 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	440 1.0 VAL:CB 0.29850 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	441 1.0 VAL:HB -0.02970 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	442 1.0 VAL:CG1 -0.31920 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	443 1.0 VAL:1HG1 0.07910 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	444 1.0 VAL:2HG1 0.07910 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	445 1.0 VAL:3HG1 0.07910 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	446 1.0 VAL:CG2 -0.31920 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	447 1.0 VAL:1HG2 0.07910 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	448 1.0 VAL:2HG2 0.07910 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	449 1.0 VAL:3HG2 0.07910 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	450 1.0 VAL:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	451 1.0 VAL:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	452 1.0 ASN:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	453 1.0 ASN:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	454 1.0 ASN:CA 0.01430 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	455 1.0 ASN:HA 0.10480 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	456 1.0 ASN:CB -0.20410 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	457 1.0 ASN:1HB 0.07970 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	458 1.0 ASN:2HB 0.07970 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	459 1.0 ASN:CG 0.71300 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	460 1.0 ASN:OD1 -0.59310 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	461 1.0 ASN:ND2 -0.91910 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	462 1.0 ASN:1HD2 0.41960 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	463 1.0 ASN:2HD2 0.41960 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	464 1.0 ASN:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	465 1.0 ASN:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	466 1.0 GLN:N -0.41570 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	467 1.0 GLN:H 0.27190 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	468 1.0 GLN:CA -0.00310 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	469 1.0 GLN:HA 0.08500 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	470 1.0 GLN:CB -0.00360 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	471 1.0 GLN:1HB 0.01710 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	472 1.0 GLN:2HB 0.01710 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	473 1.0 GLN:CG -0.06450 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	474 1.0 GLN:1HG 0.03520 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	475 1.0 GLN:2HG 0.03520 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	476 1.0 GLN:CD 0.69510 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	477 1.0 GLN:OE1 -0.60860 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	478 1.0 GLN:NE2 -0.94070 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	479 1.0 GLN:1HE2 0.42510 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	480 1.0 GLN:2HE2 0.42510 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	481 1.0 GLN:C 0.59730 C
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	482 1.0 GLN:O -0.56790 O
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	483 1.0 ARG:N -0.34790 N
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	484 1.0 ARG:H 0.27470 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	485 1.0 ARG:CA -0.26370 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	486 1.0 ARG:HA 0.15600 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	487 1.0 ARG:CB -0.00070 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	488 1.0 ARG:1HB 0.03270 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	489 1.0 ARG:2HB 0.03270 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	490 1.0 ARG:CG 0.03900 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	491 1.0 ARG:1HG 0.02850 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	492 1.0 ARG:2HG 0.02850 HC
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	493 1.0 ARG:CD 0.04860 CT
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	494 1.0 ARG:1HD 0.06870 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	495 1.0 ARG:2HD 0.06870 H1
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	496 1.0 ARG:NE -0.52950 N2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	497 1.0 ARG:HE 0.34560 H
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	498 1.0 ARG:CZ 0.80760 CA
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	499 1.0 ARG:NH1 -0.86270 N2
bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository marcel parents: diff changeset	500 1.0 ARG:1HH1 0.44780 H

0

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1 ; This file contains parameter needed for nonbonded ScoringComponents.

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

2 ; The parameters were converted from parm96.dat using amber2ini and all sections for bonded parameters were removed since are not needed for docking.

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

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.

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

5 [Options]

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

6 key:0

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

7 @SCEE=1.2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

8 ; please check the settings for SCEE! AMBER91/89a requires a value of 2.0 here!

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

9

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

10

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

11

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

12

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

13 [HydrophilicTypes]

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

14 ; ignored

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

15 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

16 C H HO N NA NB NC N2 NT N2 N3 N* O OH OS P O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

17

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

18

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

19 [HydrogenBonds]

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

20 ver:version key:I key:J value:A value:B

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

21 @unit_A=kcal/mol*A^12

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

22 @unit_B=kcal/mol*A^10

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

23 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

24 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

25 ; Rev I J A B

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

26 ; --- --- --- ---------- ----------

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

27 1.0 HW OW 0.0000 0.0000

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

28

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

29

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

30 [AtomTypes]

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

31 value:ver key:type value:mass value:comment

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

32 @unit=g/mol

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

33 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

34 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

35 ; Rev Type mass comment

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

36 ; --- ---- ---------- ----------------------------------

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

37 1.0 BR 79.90000 "bromine"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

38 1.0 C 12.01000 "sp2 C carbonyl group "

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

39 1.0 F 19.00000 "fluorine"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

40 1.0 I 126.90000 "iodine"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

41 1.0 H 1.00800 "H bonded to nitrogen atoms"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

42 1.0 IM 35.45000 "assumed to be Cl-"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

43 1.0 IP 22.99000 "assumed to be Na+"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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diff changeset

44 1.0 IB 131.00000 "'big ion w/ waters' for vacuum (Na+, 6H2O)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

45 1.0 N 14.01000 "sp2 nitrogen in amide groups"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

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parents:

diff changeset

46 1.0 O 16.00000 "carbonyl group oxygen"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

47 1.0 P 30.97000 "phosphate"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

48 1.0 S 32.06000 "sulphur in disulfide linkage"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

49 1.0 Cu 63.55000 "copper"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

50 1.0 Fe 55.00000 "iron"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

51 1.0 Li 6.94000 "lithium"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

52 1.0 K 39.10000 "potassium"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

53 1.0 Rb 85.47000 "rubidium"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

54 1.0 Cs 132.91000 "cesium"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

55 ant Cl 35.450 "same as cl"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

56 2.0 Ca 40.08000 "calcium"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

57 1.0 Mg 24.30500 "magnesium"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

58 ant Zn 65.4 "Zn2+, taken from parm99.dat (antechamber)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

59

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

60

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

61 [LennardJones]

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

62 ver:version key:I value:R value:epsilon

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

63 @unit_R=Angstrom

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

64 @unit_epsilon=kcal/mol

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

65 @format=RE

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

66 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

67 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

68 ; Rev I R epsilon comment

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

69 ; --- --- ---------- ---------- -------------------------

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

70 1.0 Ca 1.600000 0.100000 " calcium from parm91.dat"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

71 1.0 H 0.600000 0.015700 " !Ferguson base pair geom."

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

72 1.0 O 1.661200 0.210000 " OPLS"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

73 1.0 C 1.908000 0.086000 " OPLS"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

74 1.0 N 1.824000 0.170000 " OPLS"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

75 1.0 S 2.000000 0.250000 " W. Cornell CH3SH and CH3SCH3 FEP's"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

76 1.0 P 2.100000 0.200000 " JCC,7,(1986),230;"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

77 1.0 IM 2.470000 0.100000 " Cl- Smith & Dang, JCP 1994,100:5,3757"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

78 1.0 IB 5.000000 0.100000 " solvated ion for vacuum approximation"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

79 1.0 Li 1.137000 0.018300 " Li+ Aqvist JPC 1990,94,8021. (adapted)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

80 1.0 IP 1.868000 0.002770 " Na+ Aqvist JPC 1990,94,8021. (adapted)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

81 1.0 K 2.658000 0.000328 " K+ Aqvist JPC 1990,94,8021. (adapted)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

82 1.0 Rb 2.956000 0.000170 " Rb+ Aqvist JPC 1990,94,8021. (adapted)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

83 1.0 Cs 3.395000 0.000081 " Cs+ Aqvist JPC 1990,94,8021. (adapted)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

84 1.0 I 2.350000 0.400000 " JCC,7,(1986),230;"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

85 1.0 F 1.750000 0.061000 " Gough et al. JCC 13,(1992),963."

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

86 ant Cl 2.47 0.1 " Cl- Smith & Dang, JCP 1994,100:5,3757, taken from parm99.dat (antechamber)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

87 ant Zn 1.10 0.0125 " Zn2+, Merz,PAK, JACS,113,8262,(1991), taken from parm99.dat (antechamber)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

88 ant Mg 0.7926 0.8947 " Mg2+ Aqvist JPC 1990,94,8021.(adapted), taken from parm99.dat (antechamber)"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

89 ; ant Cl 1.9480 0.2650 "same as cl"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

90 ; 1.0 Mg 1.170000 0.100000 " magnesium from parm91.dat"

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

91

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

92

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

93 [ResidueImproperTorsions]

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

94 key:name

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

95 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

96 ;

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

97 ; res:atom

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

98 ; -------------

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

99 ALA:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

100 ALA:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

101 GLY:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

102 GLY:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

103 SER:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

104 SER:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

105 THR:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

106 THR:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

107 LEU:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

108 LEU:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

109 ILE:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

110 ILE:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

111 VAL:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

112 VAL:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

113 ASN:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

114 ASN:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

115 ASN:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

116 ASN:ND2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

117 GLN:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

118 GLN:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

119 GLN:CD

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

120 GLN:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

121 ARG:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

122 ARG:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

123 ARG:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

124 ARG:NE

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

125 ARG:NH1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

126 ARG:NH2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

127 HIS:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

128 HIS:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

129 HIS:ND1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

130 HIS:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

131 HIS:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

132 HIS:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

133 HIS:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

134 HIS:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

135 HIS:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

136 HIS:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

137 HIS:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

138 HIS:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

139 HIS:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

140 HIS:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

141 HIS:ND1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

142 HIS:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

143 HIS:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

144 HIS:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

145 HIS:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

146 TRP:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

147 TRP:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

148 TRP:NE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

149 TRP:CZ2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

150 TRP:CH2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

151 TRP:CZ3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

152 TRP:CE3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

153 TRP:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

154 TRP:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

155 PHE:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

156 PHE:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

157 PHE:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

158 PHE:CE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

159 PHE:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

160 PHE:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

161 PHE:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

162 PHE:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

163 TYR:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

164 TYR:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

165 TYR:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

166 TYR:CE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

167 TYR:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

168 TYR:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

169 TYR:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

170 TYR:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

171 GLU:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

172 GLU:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

173 GLU:CD

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

174 ASP:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

175 ASP:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

176 ASP:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

177 LYS:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

178 LYS:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

179 LYN:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

180 LYN:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

181 PRO:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

182 PRO:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

183 CYS:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

184 CYS:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

185 CYM:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

186 CYM:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

187 CYS-S:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

188 CYS-S:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

189 MET:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

190 MET:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

191 ACE:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

192 NME:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

193 ASH:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

194 ASH:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

195 ASH:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

196 GLH:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

197 GLH:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

198 GLH:CD

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

199 ALA-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

200 GLY-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

201 SER-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

202 THR-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

203 LEU-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

204 ILE-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

205 VAL-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

206 ASN-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

207 ASN-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

208 ASN-N:ND2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

209 GLN-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

210 GLN-N:CD

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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211 GLN-N:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

212 ARG-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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213 ARG-N:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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214 ARG-N:NE

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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215 ARG-N:NH1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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216 ARG-N:NH2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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217 HIS-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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218 HIS-N:ND1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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219 HIS-N:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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220 HIS-N:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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221 HIS-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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222 HIS-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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223 HIS-N:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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224 HIS-N:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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225 HIS-N:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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226 HIS-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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227 HIS-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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228 HIS-N:ND1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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229 HIS-N:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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230 HIS-N:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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231 HIS-N:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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232 HIS-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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233 TRP-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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234 TRP-N:NE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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235 TRP-N:CZ2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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236 TRP-N:CH2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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237 TRP-N:CZ3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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238 TRP-N:CE3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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239 TRP-N:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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240 TRP-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

241 PHE-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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242 PHE-N:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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243 PHE-N:CE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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244 PHE-N:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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245 PHE-N:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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246 PHE-N:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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247 PHE-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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248 TYR-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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249 TYR-N:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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250 TYR-N:CE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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251 TYR-N:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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252 TYR-N:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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253 TYR-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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254 TYR-N:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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255 GLU-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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256 GLU-N:CD

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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257 ASP-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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258 ASP-N:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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259 LYS-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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260 PRO-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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261 CYS-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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262 CYS-NS:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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263 MET-N:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

264 ALA-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

265 ALA-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

266 GLY-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

267 GLY-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

268 SER-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

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269 SER-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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270 THR-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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271 THR-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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272 LEU-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

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273 LEU-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

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274 ILE-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

275 ILE-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

276 VAL-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

277 VAL-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

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278 ASN-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

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279 ASN-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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280 ASN-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

281 ASN-C:ND2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

282 GLN-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

283 GLN-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

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284 GLN-C:CD

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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285 GLN-C:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

286 ARG-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

287 ARG-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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288 ARG-C:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

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289 ARG-C:NE

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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290 ARG-C:NH1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

291 ARG-C:NH2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

292 HIS-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

293 HIS-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

294 HIS-C:ND1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

295 HIS-C:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

296 HIS-C:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

297 HIS-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

298 HIS-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

299 HIS-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

300 HIS-C:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

301 HIS-C:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

302 HIS-C:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

303 HIS-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

304 HIS-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

305 HIS-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

306 HIS-C:ND1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

307 HIS-C:NE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

308 HIS-C:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

309 HIS-C:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

310 HIS-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

311 TRP-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

312 TRP-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

313 TRP-C:NE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

314 TRP-C:CZ2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

315 TRP-C:CH2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

316 TRP-C:CZ3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

317 TRP-C:CE3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

318 TRP-C:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

319 TRP-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

320 PHE-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

321 PHE-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

322 PHE-C:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

323 PHE-C:CE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

324 PHE-C:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

325 PHE-C:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

326 PHE-C:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

327 PHE-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

328 TYR-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

329 TYR-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

330 TYR-C:CD2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

331 TYR-C:CE2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

332 TYR-C:CE1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

333 TYR-C:CD1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

334 TYR-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

335 TYR-C:CZ

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

336 GLU-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

337 GLU-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

338 GLU-C:CD

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

339 ASP-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

340 ASP-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

341 ASP-C:CG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

342 LYS-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

343 LYS-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

344 PRO-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

345 PRO-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

346 CYS-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

347 CYS-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

348 CYS-CS:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

349 CYS-CS:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

350 MET-C:N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

351 MET-C:C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

352

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

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diff changeset

353 [ChargesAndTypeNames]

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

354 ver:version key:name value:q value:type

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

355 @unit_q=e0

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

356 1.0 ALA:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

357 1.0 ALA:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

358 1.0 ALA:CA 0.03370 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

359 1.0 ALA:HA 0.08230 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

360 1.0 ALA:CB -0.18250 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

361 1.0 ALA:1HB 0.06030 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

362 1.0 ALA:2HB 0.06030 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

363 1.0 ALA:3HB 0.06030 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

364 1.0 ALA:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

365 1.0 ALA:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

366 1.0 GLY:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

367 1.0 GLY:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

368 1.0 GLY:CA -0.02520 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

369 1.0 GLY:1HA 0.06980 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

370 1.0 GLY:2HA 0.06980 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

371 1.0 GLY:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

372 1.0 GLY:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

373 1.0 SER:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

374 1.0 SER:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

375 1.0 SER:CA -0.02490 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

376 1.0 SER:HA 0.08430 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

377 1.0 SER:CB 0.21170 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

378 1.0 SER:1HB 0.03520 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

379 1.0 SER:2HB 0.03520 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

380 1.0 SER:OG -0.65460 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

381 1.0 SER:HG 0.42750 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

382 1.0 SER:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

383 1.0 SER:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

384 1.0 THR:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

385 1.0 THR:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

386 1.0 THR:CA -0.03890 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

387 1.0 THR:HA 0.10070 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

388 1.0 THR:CB 0.36540 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

389 1.0 THR:HB 0.00430 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

390 1.0 THR:CG2 -0.24380 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

391 1.0 THR:1HG2 0.06420 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

392 1.0 THR:2HG2 0.06420 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

393 1.0 THR:3HG2 0.06420 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

394 1.0 THR:OG1 -0.67610 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

395 1.0 THR:HG1 0.41020 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

396 1.0 THR:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

397 1.0 THR:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

398 1.0 LEU:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

399 1.0 LEU:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

400 1.0 LEU:CA -0.05180 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

401 1.0 LEU:HA 0.09220 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

402 1.0 LEU:CB -0.11020 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

403 1.0 LEU:1HB 0.04570 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

404 1.0 LEU:2HB 0.04570 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

405 1.0 LEU:CG 0.35310 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

406 1.0 LEU:HG -0.03610 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

407 1.0 LEU:CD1 -0.41210 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

408 1.0 LEU:1HD1 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

409 1.0 LEU:2HD1 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

410 1.0 LEU:3HD1 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

411 1.0 LEU:CD2 -0.41210 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

412 1.0 LEU:1HD2 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

413 1.0 LEU:2HD2 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

414 1.0 LEU:3HD2 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

415 1.0 LEU:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

416 1.0 LEU:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

417 1.0 ILE:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

418 1.0 ILE:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

419 1.0 ILE:CA -0.05970 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

420 1.0 ILE:HA 0.08690 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

421 1.0 ILE:CB 0.13030 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

422 1.0 ILE:HB 0.01870 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

423 1.0 ILE:CG2 -0.32040 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

424 1.0 ILE:1HG2 0.08820 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

425 1.0 ILE:2HG2 0.08820 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

426 1.0 ILE:3HG2 0.08820 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

427 1.0 ILE:CG1 -0.04300 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

428 1.0 ILE:1HG1 0.02360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

429 1.0 ILE:2HG1 0.02360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

430 1.0 ILE:CD1 -0.06600 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

431 1.0 ILE:1HD1 0.01860 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

432 1.0 ILE:2HD1 0.01860 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

433 1.0 ILE:3HD1 0.01860 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

434 1.0 ILE:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

435 1.0 ILE:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

436 1.0 VAL:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

437 1.0 VAL:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

438 1.0 VAL:CA -0.08750 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

439 1.0 VAL:HA 0.09690 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

440 1.0 VAL:CB 0.29850 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

441 1.0 VAL:HB -0.02970 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

442 1.0 VAL:CG1 -0.31920 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

443 1.0 VAL:1HG1 0.07910 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

444 1.0 VAL:2HG1 0.07910 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

445 1.0 VAL:3HG1 0.07910 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

446 1.0 VAL:CG2 -0.31920 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

447 1.0 VAL:1HG2 0.07910 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

448 1.0 VAL:2HG2 0.07910 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

449 1.0 VAL:3HG2 0.07910 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

450 1.0 VAL:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

451 1.0 VAL:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

452 1.0 ASN:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

453 1.0 ASN:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

454 1.0 ASN:CA 0.01430 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

455 1.0 ASN:HA 0.10480 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

456 1.0 ASN:CB -0.20410 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

457 1.0 ASN:1HB 0.07970 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

458 1.0 ASN:2HB 0.07970 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

459 1.0 ASN:CG 0.71300 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

460 1.0 ASN:OD1 -0.59310 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

461 1.0 ASN:ND2 -0.91910 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

462 1.0 ASN:1HD2 0.41960 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

463 1.0 ASN:2HD2 0.41960 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

464 1.0 ASN:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

465 1.0 ASN:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

466 1.0 GLN:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

467 1.0 GLN:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

468 1.0 GLN:CA -0.00310 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

469 1.0 GLN:HA 0.08500 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

470 1.0 GLN:CB -0.00360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

471 1.0 GLN:1HB 0.01710 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

472 1.0 GLN:2HB 0.01710 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

473 1.0 GLN:CG -0.06450 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

474 1.0 GLN:1HG 0.03520 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

475 1.0 GLN:2HG 0.03520 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

476 1.0 GLN:CD 0.69510 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

477 1.0 GLN:OE1 -0.60860 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

478 1.0 GLN:NE2 -0.94070 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

479 1.0 GLN:1HE2 0.42510 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

480 1.0 GLN:2HE2 0.42510 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

481 1.0 GLN:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

482 1.0 GLN:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

483 1.0 ARG:N -0.34790 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

484 1.0 ARG:H 0.27470 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

485 1.0 ARG:CA -0.26370 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

486 1.0 ARG:HA 0.15600 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

487 1.0 ARG:CB -0.00070 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

488 1.0 ARG:1HB 0.03270 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

489 1.0 ARG:2HB 0.03270 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

490 1.0 ARG:CG 0.03900 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

491 1.0 ARG:1HG 0.02850 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

492 1.0 ARG:2HG 0.02850 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

493 1.0 ARG:CD 0.04860 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

494 1.0 ARG:1HD 0.06870 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

495 1.0 ARG:2HD 0.06870 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

496 1.0 ARG:NE -0.52950 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

497 1.0 ARG:HE 0.34560 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

498 1.0 ARG:CZ 0.80760 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

499 1.0 ARG:NH1 -0.86270 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

500 1.0 ARG:1HH1 0.44780 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

501 1.0 ARG:2HH1 0.44780 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

502 1.0 ARG:NH2 -0.86270 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

503 1.0 ARG:1HH2 0.44780 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

504 1.0 ARG:2HH2 0.44780 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

505 1.0 ARG:C 0.73410 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

506 1.0 ARG:O -0.58940 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

507 1.0 HIS:N -0.34790 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

508 1.0 HIS:H 0.27470 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

509 1.0 HIS:CA -0.13540 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

510 1.0 HIS:HA 0.12120 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

511 1.0 HIS:CB -0.04140 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

512 1.0 HIS:1HB 0.08100 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

513 1.0 HIS:2HB 0.08100 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

514 1.0 HIS:CG -0.00120 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

515 1.0 HIS:ND1 -0.15130 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

516 1.0 HIS:HD1 0.38660 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

517 1.0 HIS:CE1 -0.01700 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

518 1.0 HIS:HE1 0.26810 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

519 1.0 HIS:NE2 -0.17180 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

520 1.0 HIS:CD2 -0.11410 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

521 1.0 HIS:HD2 0.23170 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

522 1.0 HIS:C 0.73410 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

523 1.0 HIS:O -0.58940 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

524 1.0 HIS:N -0.34790 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

525 1.0 HIS:H 0.27470 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

526 1.0 HIS:CA -0.13540 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

527 1.0 HIS:HA 0.12120 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

528 1.0 HIS:CB -0.04140 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

529 1.0 HIS:1HB 0.08100 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

530 1.0 HIS:2HB 0.08100 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

531 1.0 HIS:CG -0.00120 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

532 1.0 HIS:ND1 -0.15130 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

533 1.0 HIS:CE1 -0.01700 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

534 1.0 HIS:HE1 0.26810 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

535 1.0 HIS:NE2 -0.17180 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

536 1.0 HIS:HE2 0.39110 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

537 1.0 HIS:CD2 -0.11410 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

538 1.0 HIS:HD2 0.23170 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

539 1.0 HIS:C 0.73410 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

540 1.0 HIS:O -0.58940 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

541 1.0 HIS:N -0.34790 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

542 1.0 HIS:H 0.27470 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

543 1.0 HIS:CA -0.13540 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

544 1.0 HIS:HA 0.12120 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

545 1.0 HIS:CB -0.04140 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

546 1.0 HIS:1HB 0.08100 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

547 1.0 HIS:2HB 0.08100 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

548 1.0 HIS:CG -0.00120 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

549 1.0 HIS:ND1 -0.15130 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

550 1.0 HIS:HD1 0.38660 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

551 1.0 HIS:CE1 -0.01700 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

552 1.0 HIS:HE1 0.26810 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

553 1.0 HIS:NE2 -0.17180 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

554 1.0 HIS:HE2 0.39110 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

555 1.0 HIS:CD2 -0.11410 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

556 1.0 HIS:HD2 0.23170 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

557 1.0 HIS:C 0.73410 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

558 1.0 HIS:O -0.58940 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

559 1.0 TRP:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

560 1.0 TRP:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

561 1.0 TRP:CA -0.02750 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

562 1.0 TRP:HA 0.11230 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

563 1.0 TRP:CB -0.00500 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

564 1.0 TRP:1HB 0.03390 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

565 1.0 TRP:2HB 0.03390 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

566 1.0 TRP:CG -0.14150 C*

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

567 1.0 TRP:CD1 -0.16380 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

568 1.0 TRP:HD1 0.20620 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

569 1.0 TRP:NE1 -0.34180 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

570 1.0 TRP:HE1 0.34120 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

571 1.0 TRP:CE2 0.13800 CN

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

572 1.0 TRP:CZ2 -0.26010 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

573 1.0 TRP:HZ2 0.15720 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

574 1.0 TRP:CH2 -0.11340 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

575 1.0 TRP:HH2 0.14170 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

576 1.0 TRP:CZ3 -0.19720 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

577 1.0 TRP:HZ3 0.14470 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

578 1.0 TRP:CE3 -0.23870 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

579 1.0 TRP:HE3 0.17000 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

580 1.0 TRP:CD2 0.12430 CB

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

581 1.0 TRP:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

582 1.0 TRP:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

583 1.0 PHE:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

584 1.0 PHE:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

585 1.0 PHE:CA -0.00240 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

586 1.0 PHE:HA 0.09780 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

587 1.0 PHE:CB -0.03430 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

588 1.0 PHE:1HB 0.02950 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

589 1.0 PHE:2HB 0.02950 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

590 1.0 PHE:CG 0.01180 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

591 1.0 PHE:CD1 -0.12560 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

592 1.0 PHE:HD1 0.13300 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

593 1.0 PHE:CE1 -0.17040 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

594 1.0 PHE:HE1 0.14300 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

595 1.0 PHE:CZ -0.10720 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

596 1.0 PHE:HZ 0.12970 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

597 1.0 PHE:CE2 -0.17040 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

598 1.0 PHE:HE2 0.14300 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

599 1.0 PHE:CD2 -0.12560 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

600 1.0 PHE:HD2 0.13300 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

601 1.0 PHE:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

602 1.0 PHE:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

603 1.0 TYR:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

604 1.0 TYR:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

605 1.0 TYR:CA -0.00140 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

606 1.0 TYR:HA 0.08760 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

607 1.0 TYR:CB -0.01520 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

608 1.0 TYR:1HB 0.02950 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

609 1.0 TYR:2HB 0.02950 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

610 1.0 TYR:CG -0.00110 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

611 1.0 TYR:CD1 -0.19060 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

612 1.0 TYR:HD1 0.16990 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

613 1.0 TYR:CE1 -0.23410 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

614 1.0 TYR:HE1 0.16560 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

615 1.0 TYR:CZ 0.32260 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

616 1.0 TYR:OH -0.55790 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

617 1.0 TYR:HH 0.39920 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

618 1.0 TYR:CE2 -0.23410 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

619 1.0 TYR:HE2 0.16560 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

620 1.0 TYR:CD2 -0.19060 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

621 1.0 TYR:HD2 0.16990 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

622 1.0 TYR:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

623 1.0 TYR:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

624 1.0 GLU:N -0.51630 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

625 1.0 GLU:H 0.29360 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

626 1.0 GLU:CA 0.03970 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

627 1.0 GLU:HA 0.11050 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

628 1.0 GLU:CB 0.05600 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

629 1.0 GLU:1HB -0.01730 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

630 1.0 GLU:2HB -0.01730 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

631 1.0 GLU:CG 0.01360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

632 1.0 GLU:1HG -0.04250 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

633 1.0 GLU:2HG -0.04250 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

634 1.0 GLU:CD 0.80540 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

635 1.0 GLU:OE1 -0.81880 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

636 1.0 GLU:OE2 -0.81880 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

637 1.0 GLU:C 0.53660 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

638 1.0 GLU:O -0.58190 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

639 1.0 ASP:N -0.51630 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

640 1.0 ASP:H 0.29360 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

641 1.0 ASP:CA 0.03810 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

642 1.0 ASP:HA 0.08800 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

643 1.0 ASP:CB -0.03030 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

644 1.0 ASP:1HB -0.01220 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

645 1.0 ASP:2HB -0.01220 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

646 1.0 ASP:CG 0.79940 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

647 1.0 ASP:OD1 -0.80140 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

648 1.0 ASP:OD2 -0.80140 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

649 1.0 ASP:C 0.53660 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

650 1.0 ASP:O -0.58190 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

651 1.0 LYS:N -0.34790 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

652 1.0 LYS:H 0.27470 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

653 1.0 LYS:CA -0.24000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

654 1.0 LYS:HA 0.14260 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

655 1.0 LYS:CB -0.00940 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

656 1.0 LYS:1HB 0.03620 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

657 1.0 LYS:2HB 0.03620 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

658 1.0 LYS:CG 0.01870 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

659 1.0 LYS:1HG 0.01030 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

660 1.0 LYS:2HG 0.01030 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

661 1.0 LYS:CD -0.04790 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

662 1.0 LYS:1HD 0.06210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

663 1.0 LYS:2HD 0.06210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

664 1.0 LYS:CE -0.01430 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

665 1.0 LYS:1HE 0.11350 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

666 1.0 LYS:2HE 0.11350 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

667 1.0 LYS:NZ -0.38540 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

668 1.0 LYS:1HZ 0.34000 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

669 1.0 LYS:2HZ 0.34000 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

670 1.0 LYS:3HZ 0.34000 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

671 1.0 LYS:C 0.73410 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

672 1.0 LYS:O -0.58940 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

673 1.0 LYN:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

674 1.0 LYN:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

675 1.0 LYN:CA -0.07206 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

676 1.0 LYN:HA 0.09940 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

677 1.0 LYN:CB -0.04845 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

678 1.0 LYN:HB2 0.03400 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

679 1.0 LYN:HB3 0.03400 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

680 1.0 LYN:CG 0.06612 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

681 1.0 LYN:HG2 0.01041 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

682 1.0 LYN:HG3 0.01041 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

683 1.0 LYN:CD -0.03768 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

684 1.0 LYN:HD2 0.01155 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

685 1.0 LYN:HD3 0.01155 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

686 1.0 LYN:CE 0.32604 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

687 1.0 LYN:HE2 -0.03358 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

688 1.0 LYN:HE3 -0.03358 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

689 1.0 LYN:NZ -1.03581 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

690 1.0 LYN:HZ2 0.38604 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

691 1.0 LYN:HZ3 0.38604 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

692 1.0 LYN:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

693 1.0 LYN:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

694 1.0 PRO:N -0.25480 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

695 1.0 PRO:CD 0.01920 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

696 1.0 PRO:1HD 0.03910 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

697 1.0 PRO:2HD 0.03910 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

698 1.0 PRO:CG 0.01890 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

699 1.0 PRO:1HG 0.02130 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

700 1.0 PRO:2HG 0.02130 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

701 1.0 PRO:CB -0.00700 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

702 1.0 PRO:1HB 0.02530 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

703 1.0 PRO:2HB 0.02530 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

704 1.0 PRO:CA -0.02660 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

705 1.0 PRO:HA 0.06410 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

706 1.0 PRO:C 0.58960 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

707 1.0 PRO:O -0.57480 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

708 1.0 CYS:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

709 1.0 CYS:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

710 1.0 CYS:CA 0.02130 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

711 1.0 CYS:HA 0.11240 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

712 1.0 CYS:CB -0.12310 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

713 1.0 CYS:1HB 0.11120 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

714 1.0 CYS:2HB 0.11120 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

715 1.0 CYS:SG -0.31190 SH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

716 1.0 CYS:HG 0.19330 HS

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

717 1.0 CYS:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

718 1.0 CYS:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

719 1.0 CYM:N -0.46300 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

720 1.0 CYM:HN 0.25200 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

721 1.0 CYM:CA 0.03500 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

722 1.0 CYM:HA 0.04800 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

723 1.0 CYM:CB -0.73600 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

724 1.0 CYM:HB3 0.24400 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

725 1.0 CYM:HB2 0.24400 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

726 1.0 CYM:SG -0.73600 SH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

727 1.0 CYM:C 0.61600 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

728 1.0 CYM:O -0.50400 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

729 1.0 CYS-S:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

730 1.0 CYS-S:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

731 1.0 CYS-S:CA 0.04290 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

732 1.0 CYS-S:HA 0.07660 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

733 1.0 CYS-S:CB -0.07900 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

734 1.0 CYS-S:1HB 0.09100 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

735 1.0 CYS-S:2HB 0.09100 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

736 1.0 CYS-S:SG -0.10810 S

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

737 1.0 CYS-S:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

738 1.0 CYS-S:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

739 1.0 MET:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

740 1.0 MET:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

741 1.0 MET:CA -0.02370 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

742 1.0 MET:HA 0.08800 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

743 1.0 MET:CB 0.03420 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

744 1.0 MET:1HB 0.02410 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

745 1.0 MET:2HB 0.02410 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

746 1.0 MET:CG 0.00180 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

747 1.0 MET:1HG 0.04400 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

748 1.0 MET:2HG 0.04400 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

749 1.0 MET:SD -0.27370 S

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

750 1.0 MET:CE -0.05360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

751 1.0 MET:1HE 0.06840 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

752 1.0 MET:2HE 0.06840 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

753 1.0 MET:3HE 0.06840 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

754 1.0 MET:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

755 1.0 MET:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

756 1.0 ACE:1HH3 0.11230 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

757 1.0 ACE:CH3 -0.36620 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

758 1.0 ACE:2HH3 0.11230 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

759 1.0 ACE:3HH3 0.11230 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

760 1.0 ACE:C 0.59720 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

761 1.0 ACE:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

762 1.0 HOH:1H 0.41700 HW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

763 1.0 HOH:O -0.83400 OW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

764 1.0 HOH:2H 0.41700 HW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

765 1.0 HOH:H1 0.41700 HW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

766 1.0 HOH:O -0.83400 OW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

767 1.0 HOH:H2 0.41700 HW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

768 1.0 WAT:1H 0.41700 HW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

769 1.0 WAT:O -0.83400 OW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

770 1.0 WAT:2H 0.41700 HW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

771 1.0 ASH:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

772 1.0 ASH:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

773 1.0 ASH:CA 0.03410 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

774 1.0 ASH:HA 0.08640 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

775 1.0 ASH:CB -0.03160 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

776 1.0 ASH:HB2 0.04880 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

777 1.0 ASH:HB3 0.04880 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

778 1.0 ASH:CG 0.64620 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

779 1.0 ASH:OD1 -0.55540 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

780 1.0 ASH:OD2 -0.63760 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

781 1.0 ASH:HD2 0.47470 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

782 1.0 ASH:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

783 1.0 ASH:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

784 1.0 GLH:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

785 1.0 GLH:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

786 1.0 GLH:CA 0.01450 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

787 1.0 GLH:HA 0.07790 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

788 1.0 GLH:CB -0.00710 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

789 1.0 GLH:HB2 0.02560 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

790 1.0 GLH:HB3 0.02560 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

791 1.0 GLH:CG -0.01740 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

792 1.0 GLH:HG2 0.04300 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

793 1.0 GLH:HG3 0.04300 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

794 1.0 GLH:CD 0.68010 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

795 1.0 GLH:OE1 -0.58380 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

796 1.0 GLH:OE2 -0.65110 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

797 1.0 GLH:HE2 0.46410 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

798 1.0 GLH:C 0.59730 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

799 1.0 GLH:O -0.56790 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

800 1.0 CIP:NA+ 1.00000 IP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

801 1.0 CIM:CL- -1.00000 IM

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

802 1.0 ALA-N:N 0.14140 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

803 1.0 ALA-N:1H 0.19970 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

804 1.0 ALA-N:2H 0.19970 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

805 1.0 ALA-N:3H 0.19970 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

806 1.0 ALA-N:CA 0.09620 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

807 1.0 ALA-N:HA 0.08890 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

808 1.0 ALA-N:CB -0.05970 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

809 1.0 ALA-N:1HB 0.03000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

810 1.0 ALA-N:2HB 0.03000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

811 1.0 ALA-N:3HB 0.03000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

812 1.0 ALA-N:C 0.61630 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

813 1.0 ALA-N:O -0.57220 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

814 1.0 GLY-N:N 0.29430 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

815 1.0 GLY-N:1H 0.16420 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

816 1.0 GLY-N:2H 0.16420 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

817 1.0 GLY-N:3H 0.16420 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

818 1.0 GLY-N:CA -0.01000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

819 1.0 GLY-N:1HA 0.08950 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

820 1.0 GLY-N:2HA 0.08950 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

821 1.0 GLY-N:C 0.61630 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

822 1.0 GLY-N:O -0.57220 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

823 1.0 SER-N:N 0.18490 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

824 1.0 SER-N:1H 0.18980 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

825 1.0 SER-N:2H 0.18980 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

826 1.0 SER-N:3H 0.18980 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

827 1.0 SER-N:CA 0.05670 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

828 1.0 SER-N:HA 0.07820 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

829 1.0 SER-N:CB 0.25960 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

830 1.0 SER-N:1HB 0.02730 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

831 1.0 SER-N:2HB 0.02730 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

832 1.0 SER-N:OG -0.67140 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

833 1.0 SER-N:HG 0.42390 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

834 1.0 SER-N:C 0.61630 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

835 1.0 SER-N:O -0.57220 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

836 1.0 THR-N:N 0.18120 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

837 1.0 THR-N:1H 0.19340 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

838 1.0 THR-N:2H 0.19340 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

839 1.0 THR-N:3H 0.19340 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

840 1.0 THR-N:CA 0.00340 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

841 1.0 THR-N:HA 0.10870 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

842 1.0 THR-N:CB 0.45140 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

843 1.0 THR-N:HB -0.03230 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

844 1.0 THR-N:CG2 -0.25540 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

845 1.0 THR-N:1HG2 0.06270 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

846 1.0 THR-N:2HG2 0.06270 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

847 1.0 THR-N:3HG2 0.06270 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

848 1.0 THR-N:OG1 -0.67640 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

849 1.0 THR-N:HG1 0.40700 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

850 1.0 THR-N:C 0.61630 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

851 1.0 THR-N:O -0.57220 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

852 1.0 LEU-N:N 0.10100 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

853 1.0 LEU-N:1H 0.21480 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

854 1.0 LEU-N:2H 0.21480 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

855 1.0 LEU-N:3H 0.21480 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

856 1.0 LEU-N:CA 0.01040 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

857 1.0 LEU-N:HA 0.10530 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

858 1.0 LEU-N:CB -0.02440 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

859 1.0 LEU-N:1HB 0.02560 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

860 1.0 LEU-N:2HB 0.02560 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

861 1.0 LEU-N:CG 0.34210 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

862 1.0 LEU-N:HG -0.03800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

863 1.0 LEU-N:CD1 -0.41060 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

864 1.0 LEU-N:1HD1 0.09800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

865 1.0 LEU-N:2HD1 0.09800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

866 1.0 LEU-N:3HD1 0.09800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

867 1.0 LEU-N:CD2 -0.41040 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

868 1.0 LEU-N:1HD2 0.09800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

869 1.0 LEU-N:2HD2 0.09800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

870 1.0 LEU-N:3HD2 0.09800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

871 1.0 LEU-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

872 1.0 LEU-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

873 1.0 ILE-N:N 0.03110 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

874 1.0 ILE-N:1H 0.23290 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

875 1.0 ILE-N:2H 0.23290 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

876 1.0 ILE-N:3H 0.23290 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

877 1.0 ILE-N:CA 0.02570 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

878 1.0 ILE-N:HA 0.10310 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

879 1.0 ILE-N:CB 0.18850 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

880 1.0 ILE-N:HB 0.02130 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

881 1.0 ILE-N:CG2 -0.37200 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

882 1.0 ILE-N:1HG2 0.09470 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

883 1.0 ILE-N:2HG2 0.09470 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

884 1.0 ILE-N:3HG2 0.09470 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

885 1.0 ILE-N:CG1 -0.03870 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

886 1.0 ILE-N:1HG1 0.02010 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

887 1.0 ILE-N:2HG1 0.02010 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

888 1.0 ILE-N:CD1 -0.09080 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

889 1.0 ILE-N:1HD1 0.02260 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

890 1.0 ILE-N:2HD1 0.02260 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

891 1.0 ILE-N:3HD1 0.02260 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

892 1.0 ILE-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

893 1.0 ILE-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

894 1.0 VAL-N:N 0.05770 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

895 1.0 VAL-N:1H 0.22720 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

896 1.0 VAL-N:2H 0.22720 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

897 1.0 VAL-N:3H 0.22720 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

898 1.0 VAL-N:CA -0.00540 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

899 1.0 VAL-N:HA 0.10930 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

900 1.0 VAL-N:CB 0.31960 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

901 1.0 VAL-N:HB -0.02210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

902 1.0 VAL-N:CG1 -0.31290 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

903 1.0 VAL-N:1HG1 0.07350 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

904 1.0 VAL-N:2HG1 0.07350 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

905 1.0 VAL-N:3HG1 0.07350 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

906 1.0 VAL-N:CG2 -0.31290 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

907 1.0 VAL-N:1HG2 0.07350 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

908 1.0 VAL-N:2HG2 0.07350 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

909 1.0 VAL-N:3HG2 0.07350 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

910 1.0 VAL-N:C 0.61630 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

911 1.0 VAL-N:O -0.57220 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

912 1.0 ASN-N:N 0.18010 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

913 1.0 ASN-N:1H 0.19210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

914 1.0 ASN-N:2H 0.19210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

915 1.0 ASN-N:3H 0.19210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

916 1.0 ASN-N:CA 0.03680 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

917 1.0 ASN-N:HA 0.12310 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

918 1.0 ASN-N:CB -0.02830 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

919 1.0 ASN-N:1HB 0.05150 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

920 1.0 ASN-N:2HB 0.05150 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

921 1.0 ASN-N:CG 0.58330 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

922 1.0 ASN-N:OD1 -0.57440 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

923 1.0 ASN-N:ND2 -0.86340 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

924 1.0 ASN-N:1HD2 0.40970 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

925 1.0 ASN-N:2HD2 0.40970 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

926 1.0 ASN-N:C 0.61630 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

927 1.0 ASN-N:O -0.57220 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

928 1.0 GLN-N:N 0.14930 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

929 1.0 GLN-N:1H 0.19960 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

930 1.0 GLN-N:2H 0.19960 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

931 1.0 GLN-N:3H 0.19960 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

932 1.0 GLN-N:CA 0.05360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

933 1.0 GLN-N:HA 0.10150 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

934 1.0 GLN-N:CB 0.06510 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

935 1.0 GLN-N:1HB 0.00500 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

936 1.0 GLN-N:2HB 0.00500 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

937 1.0 GLN-N:CG -0.09030 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

938 1.0 GLN-N:1HG 0.03310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

939 1.0 GLN-N:2HG 0.03310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

940 1.0 GLN-N:CD 0.73540 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

941 1.0 GLN-N:OE1 -0.61330 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

942 1.0 GLN-N:NE2 -1.00310 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

943 1.0 GLN-N:1HE2 0.44290 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

944 1.0 GLN-N:2HE2 0.44290 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

945 1.0 GLN-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

946 1.0 GLN-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

947 1.0 ARG-N:N 0.13050 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

948 1.0 ARG-N:1H 0.20830 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

949 1.0 ARG-N:2H 0.20830 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

950 1.0 ARG-N:3H 0.20830 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

951 1.0 ARG-N:CA -0.02230 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

952 1.0 ARG-N:HA 0.12420 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

953 1.0 ARG-N:CB 0.01180 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

954 1.0 ARG-N:1HB 0.02260 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

955 1.0 ARG-N:2HB 0.02260 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

956 1.0 ARG-N:CG 0.02360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

957 1.0 ARG-N:1HG 0.03090 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

958 1.0 ARG-N:2HG 0.03090 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

959 1.0 ARG-N:CD 0.09350 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

960 1.0 ARG-N:1HD 0.05270 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

961 1.0 ARG-N:2HD 0.05270 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

962 1.0 ARG-N:NE -0.56500 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

963 1.0 ARG-N:HE 0.35920 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

964 1.0 ARG-N:CZ 0.82810 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

965 1.0 ARG-N:NH1 -0.86930 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

966 1.0 ARG-N:1HH1 0.44940 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

967 1.0 ARG-N:2HH1 0.44940 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

968 1.0 ARG-N:NH2 -0.86930 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

969 1.0 ARG-N:1HH2 0.44940 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

970 1.0 ARG-N:2HH2 0.44940 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

971 1.0 ARG-N:C 0.72140 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

972 1.0 ARG-N:O -0.60130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

973 1.0 HIS-N:N 0.25600 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

974 1.0 HIS-N:1H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

975 1.0 HIS-N:2H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

976 1.0 HIS-N:3H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

977 1.0 HIS-N:CA 0.05810 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

978 1.0 HIS-N:HA 0.10470 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

979 1.0 HIS-N:CB 0.04840 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

980 1.0 HIS-N:1HB 0.05310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

981 1.0 HIS-N:2HB 0.05310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

982 1.0 HIS-N:CG -0.02360 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

983 1.0 HIS-N:ND1 -0.15100 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

984 1.0 HIS-N:HD1 0.38210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

985 1.0 HIS-N:CE1 -0.00110 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

986 1.0 HIS-N:HE1 0.26450 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

987 1.0 HIS-N:NE2 -0.17390 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

988 1.0 HIS-N:CD2 -0.14330 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

989 1.0 HIS-N:HD2 0.24950 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

990 1.0 HIS-N:C 0.72140 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

991 1.0 HIS-N:O -0.60130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

992 1.0 HIS-N:N 0.25600 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

993 1.0 HIS-N:1H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

994 1.0 HIS-N:2H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

995 1.0 HIS-N:3H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

996 1.0 HIS-N:CA 0.05810 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

997 1.0 HIS-N:HA 0.10470 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

998 1.0 HIS-N:CB 0.04840 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

999 1.0 HIS-N:1HB 0.05310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1000 1.0 HIS-N:2HB 0.05310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1001 1.0 HIS-N:CG -0.02360 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1002 1.0 HIS-N:ND1 -0.15100 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1003 1.0 HIS-N:CE1 -0.00110 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1004 1.0 HIS-N:HE1 0.26450 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1005 1.0 HIS-N:NE2 -0.17390 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1006 1.0 HIS-N:HE2 0.39210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1007 1.0 HIS-N:CD2 -0.14330 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1008 1.0 HIS-N:HD2 0.24950 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1009 1.0 HIS-N:C 0.72140 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1010 1.0 HIS-N:O -0.60130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1011 1.0 HIS-N:N 0.25600 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1012 1.0 HIS-N:1H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1013 1.0 HIS-N:2H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1014 1.0 HIS-N:3H 0.17040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1015 1.0 HIS-N:CA 0.05810 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1016 1.0 HIS-N:HA 0.10470 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1017 1.0 HIS-N:CB 0.04840 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1018 1.0 HIS-N:1HB 0.05310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1019 1.0 HIS-N:2HB 0.05310 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1020 1.0 HIS-N:CG -0.02360 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1021 1.0 HIS-N:ND1 -0.15100 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1022 1.0 HIS-N:HD1 0.38210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1023 1.0 HIS-N:CE1 -0.00110 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1024 1.0 HIS-N:HE1 0.26450 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1025 1.0 HIS-N:NE2 -0.17390 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1026 1.0 HIS-N:HE2 0.39210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1027 1.0 HIS-N:CD2 -0.14330 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1028 1.0 HIS-N:HD2 0.24950 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1029 1.0 HIS-N:C 0.72140 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1030 1.0 HIS-N:O -0.60130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1031 1.0 TRP-N:N 0.19130 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1032 1.0 TRP-N:1H 0.18880 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1033 1.0 TRP-N:2H 0.18880 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1034 1.0 TRP-N:3H 0.18880 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1035 1.0 TRP-N:CA 0.04210 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1036 1.0 TRP-N:HA 0.11620 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1037 1.0 TRP-N:CB 0.05430 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1038 1.0 TRP-N:1HB 0.02220 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1039 1.0 TRP-N:2HB 0.02220 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1040 1.0 TRP-N:CG -0.16540 C*

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1041 1.0 TRP-N:CD1 -0.17880 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1042 1.0 TRP-N:HD1 0.21950 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1043 1.0 TRP-N:NE1 -0.34440 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1044 1.0 TRP-N:HE1 0.34120 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1045 1.0 TRP-N:CE2 0.15750 CN

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1046 1.0 TRP-N:CZ2 -0.27100 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1047 1.0 TRP-N:HZ2 0.15890 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1048 1.0 TRP-N:CH2 -0.10800 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1049 1.0 TRP-N:HH2 0.14110 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1050 1.0 TRP-N:CZ3 -0.20340 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1051 1.0 TRP-N:HZ3 0.14580 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1052 1.0 TRP-N:CE3 -0.22650 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1053 1.0 TRP-N:HE3 0.16460 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1054 1.0 TRP-N:CD2 0.11320 CB

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1055 1.0 TRP-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1056 1.0 TRP-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1057 1.0 PHE-N:N 0.17370 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1058 1.0 PHE-N:1H 0.19210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1059 1.0 PHE-N:2H 0.19210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1060 1.0 PHE-N:3H 0.19210 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1061 1.0 PHE-N:CA 0.07330 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1062 1.0 PHE-N:HA 0.10410 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1063 1.0 PHE-N:CB 0.03300 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1064 1.0 PHE-N:1HB 0.01040 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1065 1.0 PHE-N:2HB 0.01040 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1066 1.0 PHE-N:CG 0.00310 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1067 1.0 PHE-N:CD1 -0.13920 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1068 1.0 PHE-N:HD1 0.13740 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1069 1.0 PHE-N:CE1 -0.16020 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1070 1.0 PHE-N:HE1 0.14330 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1071 1.0 PHE-N:CZ -0.12080 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1072 1.0 PHE-N:HZ 0.13290 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1073 1.0 PHE-N:CE2 -0.16030 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1074 1.0 PHE-N:HE2 0.14330 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1075 1.0 PHE-N:CD2 -0.13910 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1076 1.0 PHE-N:HD2 0.13740 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1077 1.0 PHE-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1078 1.0 PHE-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1079 1.0 TYR-N:N 0.19400 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1080 1.0 TYR-N:1H 0.18730 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1081 1.0 TYR-N:2H 0.18730 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1082 1.0 TYR-N:3H 0.18730 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1083 1.0 TYR-N:CA 0.05700 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1084 1.0 TYR-N:HA 0.09830 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1085 1.0 TYR-N:CB 0.06590 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1086 1.0 TYR-N:1HB 0.01020 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1087 1.0 TYR-N:2HB 0.01020 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1088 1.0 TYR-N:CG -0.02050 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1089 1.0 TYR-N:CD1 -0.20020 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1090 1.0 TYR-N:HD1 0.17200 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1091 1.0 TYR-N:CE1 -0.22390 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1092 1.0 TYR-N:HE1 0.16500 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1093 1.0 TYR-N:CZ 0.31390 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1094 1.0 TYR-N:OH -0.55780 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1095 1.0 TYR-N:HH 0.40010 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1096 1.0 TYR-N:CE2 -0.22390 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1097 1.0 TYR-N:HE2 0.16500 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1098 1.0 TYR-N:CD2 -0.20020 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1099 1.0 TYR-N:HD2 0.17200 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1100 1.0 TYR-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1101 1.0 TYR-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1102 1.0 GLU-N:N 0.00170 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1103 1.0 GLU-N:1H 0.23910 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1104 1.0 GLU-N:2H 0.23910 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1105 1.0 GLU-N:3H 0.23910 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1106 1.0 GLU-N:CA 0.05880 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1107 1.0 GLU-N:HA 0.12020 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1108 1.0 GLU-N:CB 0.09090 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1109 1.0 GLU-N:1HB -0.02320 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1110 1.0 GLU-N:2HB -0.02320 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1111 1.0 GLU-N:CG -0.02360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1112 1.0 GLU-N:1HG -0.03150 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1113 1.0 GLU-N:2HG -0.03150 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1114 1.0 GLU-N:CD 0.80870 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1115 1.0 GLU-N:OE1 -0.81890 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1116 1.0 GLU-N:OE2 -0.81890 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1117 1.0 GLU-N:C 0.56210 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1118 1.0 GLU-N:O -0.58890 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1119 1.0 ASP-N:N 0.07820 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1120 1.0 ASP-N:1H 0.22000 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1121 1.0 ASP-N:2H 0.22000 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1122 1.0 ASP-N:3H 0.22000 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1123 1.0 ASP-N:CA 0.02920 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1124 1.0 ASP-N:HA 0.11410 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1125 1.0 ASP-N:CB -0.02350 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1126 1.0 ASP-N:1HB -0.01690 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1127 1.0 ASP-N:2HB -0.01690 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1128 1.0 ASP-N:CG 0.81940 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1129 1.0 ASP-N:OD1 -0.80840 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1130 1.0 ASP-N:OD2 -0.80840 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1131 1.0 ASP-N:C 0.56210 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1132 1.0 ASP-N:O -0.58890 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1133 1.0 LYS-N:N 0.09660 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1134 1.0 LYS-N:1H 0.21650 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1135 1.0 LYS-N:2H 0.21650 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1136 1.0 LYS-N:3H 0.21650 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1137 1.0 LYS-N:CA -0.00150 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1138 1.0 LYS-N:HA 0.11800 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1139 1.0 LYS-N:CB 0.02120 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1140 1.0 LYS-N:1HB 0.02830 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1141 1.0 LYS-N:2HB 0.02830 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1142 1.0 LYS-N:CG -0.00480 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1143 1.0 LYS-N:1HG 0.01210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1144 1.0 LYS-N:2HG 0.01210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1145 1.0 LYS-N:CD -0.06080 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1146 1.0 LYS-N:1HD 0.06330 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1147 1.0 LYS-N:2HD 0.06330 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1148 1.0 LYS-N:CE -0.01810 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1149 1.0 LYS-N:1HE 0.11710 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1150 1.0 LYS-N:2HE 0.11710 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1151 1.0 LYS-N:NZ -0.37640 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1152 1.0 LYS-N:1HZ 0.33820 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1153 1.0 LYS-N:2HZ 0.33820 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1154 1.0 LYS-N:3HZ 0.33820 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1155 1.0 LYS-N:C 0.72140 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1156 1.0 LYS-N:O -0.60130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1157 1.0 PRO-N:N -0.20200 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1158 1.0 PRO-N:1H 0.31200 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1159 1.0 PRO-N:2H 0.31200 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1160 1.0 PRO-N:3H 0.31200 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1161 1.0 PRO-N:CD -0.01200 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1162 1.0 PRO-N:1HD 0.10000 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1163 1.0 PRO-N:2HD 0.10000 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1164 1.0 PRO-N:CG -0.12100 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1165 1.0 PRO-N:1HG 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1166 1.0 PRO-N:2HG 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1167 1.0 PRO-N:CB -0.11500 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1168 1.0 PRO-N:1HB 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1169 1.0 PRO-N:2HB 0.10000 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1170 1.0 PRO-N:CA 0.10000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1171 1.0 PRO-N:HA 0.10000 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1172 1.0 PRO-N:C 0.52600 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1173 1.0 PRO-N:O -0.50000 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1174 1.0 CYS-N:N 0.13250 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1175 1.0 CYS-N:1H 0.20230 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1176 1.0 CYS-N:2H 0.20230 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1177 1.0 CYS-N:3H 0.20230 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1178 1.0 CYS-N:CA 0.09270 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1179 1.0 CYS-N:HA 0.14110 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1180 1.0 CYS-N:CB -0.11950 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1181 1.0 CYS-N:1HB 0.11880 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1182 1.0 CYS-N:2HB 0.11880 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1183 1.0 CYS-N:SG -0.32980 SH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1184 1.0 CYS-N:HSG 0.19750 HS

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1185 1.0 CYS-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1186 1.0 CYS-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1187 1.0 CYS-NS:N 0.20690 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1188 1.0 CYS-NS:1H 0.18150 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1189 1.0 CYS-NS:2H 0.18150 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1190 1.0 CYS-NS:3H 0.18150 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1191 1.0 CYS-NS:CA 0.10550 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1192 1.0 CYS-NS:HA 0.09220 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1193 1.0 CYS-NS:CB -0.02770 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1194 1.0 CYS-NS:1HB 0.06800 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1195 1.0 CYS-NS:2HB 0.06800 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1196 1.0 CYS-NS:SG -0.09840 S

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1197 1.0 CYS-NS:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1198 1.0 CYS-NS:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1199 1.0 MET-N:N 0.15920 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1200 1.0 MET-N:1H 0.19840 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1201 1.0 MET-N:2H 0.19840 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1202 1.0 MET-N:3H 0.19840 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1203 1.0 MET-N:CA 0.02210 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1204 1.0 MET-N:HA 0.11160 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1205 1.0 MET-N:CB 0.08650 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1206 1.0 MET-N:1HB 0.01250 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1207 1.0 MET-N:2HB 0.01250 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1208 1.0 MET-N:CG 0.03340 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1209 1.0 MET-N:1HG 0.02920 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1210 1.0 MET-N:2HG 0.02920 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1211 1.0 MET-N:SD -0.27740 S

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1212 1.0 MET-N:CE -0.03410 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1213 1.0 MET-N:1HE 0.05970 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1214 1.0 MET-N:2HE 0.05970 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1215 1.0 MET-N:3HE 0.05970 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1216 1.0 MET-N:C 0.61230 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1217 1.0 MET-N:O -0.57130 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1218 1.0 ALA-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1219 1.0 ALA-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1220 1.0 ALA-C:CA -0.17470 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1221 1.0 ALA-C:HA 0.10670 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1222 1.0 ALA-C:CB -0.20930 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1223 1.0 ALA-C:1HB 0.07640 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1224 1.0 ALA-C:2HB 0.07640 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1225 1.0 ALA-C:3HB 0.07640 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1226 1.0 ALA-C:C 0.77310 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1227 1.0 ALA-C:O -0.80550 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1228 1.0 ALA-C:OXT -0.80550 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1229 1.0 GLY-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1230 1.0 GLY-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1231 1.0 GLY-C:CA -0.24930 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1232 1.0 GLY-C:1HA 0.10560 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1233 1.0 GLY-C:2HA 0.10560 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1234 1.0 GLY-C:C 0.72310 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1235 1.0 GLY-C:O -0.78550 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1236 1.0 GLY-C:OXT -0.78550 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1237 1.0 SER-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1238 1.0 SER-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1239 1.0 SER-C:CA -0.27220 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1240 1.0 SER-C:HA 0.13040 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1241 1.0 SER-C:CB 0.11230 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1242 1.0 SER-C:1HB 0.08130 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1243 1.0 SER-C:2HB 0.08130 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1244 1.0 SER-C:OG -0.65140 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1245 1.0 SER-C:HG 0.44740 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1246 1.0 SER-C:C 0.81130 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1247 1.0 SER-C:O -0.81320 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1248 1.0 SER-C:OXT -0.81320 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1249 1.0 THR-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1250 1.0 THR-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1251 1.0 THR-C:CA -0.24200 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1252 1.0 THR-C:HA 0.12070 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1253 1.0 THR-C:CB 0.30250 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1254 1.0 THR-C:HB 0.00780 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1255 1.0 THR-C:CG2 -0.18530 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1256 1.0 THR-C:1HG2 0.05860 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1257 1.0 THR-C:2HG2 0.05860 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1258 1.0 THR-C:3HG2 0.05860 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1259 1.0 THR-C:OG1 -0.64960 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1260 1.0 THR-C:HG1 0.41190 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1261 1.0 THR-C:C 0.78100 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1262 1.0 THR-C:O -0.80440 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1263 1.0 THR-C:OXT -0.80440 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1264 1.0 LEU-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1265 1.0 LEU-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1266 1.0 LEU-C:CA -0.28470 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1267 1.0 LEU-C:HA 0.13460 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1268 1.0 LEU-C:CB -0.24690 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1269 1.0 LEU-C:1HB 0.09740 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1270 1.0 LEU-C:2HB 0.09740 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1271 1.0 LEU-C:CG 0.37060 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1272 1.0 LEU-C:HG -0.03740 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1273 1.0 LEU-C:CD1 -0.41630 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1274 1.0 LEU-C:1HD1 0.10380 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1275 1.0 LEU-C:2HD1 0.10380 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1276 1.0 LEU-C:3HD1 0.10380 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1277 1.0 LEU-C:CD2 -0.41630 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1278 1.0 LEU-C:1HD2 0.10380 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1279 1.0 LEU-C:2HD2 0.10380 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1280 1.0 LEU-C:3HD2 0.10380 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1281 1.0 LEU-C:C 0.83260 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1282 1.0 LEU-C:O -0.81990 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1283 1.0 LEU-C:OXT -0.81990 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1284 1.0 ILE-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1285 1.0 ILE-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1286 1.0 ILE-C:CA -0.31000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1287 1.0 ILE-C:HA 0.13750 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1288 1.0 ILE-C:CB 0.03630 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1289 1.0 ILE-C:HB 0.07660 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1290 1.0 ILE-C:CG2 -0.34980 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1291 1.0 ILE-C:1HG2 0.10210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1292 1.0 ILE-C:2HG2 0.10210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1293 1.0 ILE-C:3HG2 0.10210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1294 1.0 ILE-C:CG1 -0.03230 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1295 1.0 ILE-C:1HG1 0.03210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1296 1.0 ILE-C:2HG1 0.03210 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1297 1.0 ILE-C:CD1 -0.06990 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1298 1.0 ILE-C:1HD1 0.01960 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1299 1.0 ILE-C:2HD1 0.01960 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1300 1.0 ILE-C:3HD1 0.01960 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1301 1.0 ILE-C:C 0.83430 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1302 1.0 ILE-C:O -0.81900 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1303 1.0 ILE-C:OXT -0.81900 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1304 1.0 NME-C:N -0.41570 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1305 1.0 NME-C:H 0.27190 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1306 1.0 NME-C:CH3 -0.14900 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1307 1.0 NME-C:1HH3 0.09760 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1308 1.0 NME-C:2HH3 0.09760 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1309 1.0 NME-C:3HH3 0.09760 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1310 1.0 VAL-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1311 1.0 VAL-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1312 1.0 VAL-C:CA -0.34380 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1313 1.0 VAL-C:HA 0.14380 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1314 1.0 VAL-C:CB 0.19400 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1315 1.0 VAL-C:HB 0.03080 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1316 1.0 VAL-C:CG1 -0.30640 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1317 1.0 VAL-C:1HG1 0.08360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1318 1.0 VAL-C:2HG1 0.08360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1319 1.0 VAL-C:3HG1 0.08360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1320 1.0 VAL-C:CG2 -0.30640 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1321 1.0 VAL-C:1HG2 0.08360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1322 1.0 VAL-C:2HG2 0.08360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1323 1.0 VAL-C:3HG2 0.08360 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1324 1.0 VAL-C:C 0.83500 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1325 1.0 VAL-C:O -0.81730 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1326 1.0 VAL-C:OXT -0.81730 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1327 1.0 ASN-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1328 1.0 ASN-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1329 1.0 ASN-C:CA -0.20800 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1330 1.0 ASN-C:HA 0.13580 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1331 1.0 ASN-C:CB -0.22990 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1332 1.0 ASN-C:1HB 0.10230 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1333 1.0 ASN-C:2HB 0.10230 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1334 1.0 ASN-C:CG 0.71530 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1335 1.0 ASN-C:OD1 -0.60100 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1336 1.0 ASN-C:ND2 -0.90840 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1337 1.0 ASN-C:1HD2 0.41500 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1338 1.0 ASN-C:2HD2 0.41500 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1339 1.0 ASN-C:C 0.80500 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1340 1.0 ASN-C:O -0.81470 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1341 1.0 ASN-C:OXT -0.81470 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1342 1.0 GLN-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1343 1.0 GLN-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1344 1.0 GLN-C:CA -0.22480 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1345 1.0 GLN-C:HA 0.12320 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1346 1.0 GLN-C:CB -0.06640 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1347 1.0 GLN-C:1HB 0.04520 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1348 1.0 GLN-C:2HB 0.04520 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1349 1.0 GLN-C:CG -0.02100 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1350 1.0 GLN-C:1HG 0.02030 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1351 1.0 GLN-C:2HG 0.02030 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1352 1.0 GLN-C:CD 0.70930 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1353 1.0 GLN-C:OE1 -0.60980 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1354 1.0 GLN-C:NE2 -0.95740 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1355 1.0 GLN-C:1HE2 0.43040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1356 1.0 GLN-C:2HE2 0.43040 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1357 1.0 GLN-C:C 0.77750 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1358 1.0 GLN-C:O -0.80420 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1359 1.0 GLN-C:OXT -0.80420 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1360 1.0 ARG-C:N -0.34810 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1361 1.0 ARG-C:H 0.27640 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1362 1.0 ARG-C:CA -0.30680 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1363 1.0 ARG-C:HA 0.14470 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1364 1.0 ARG-C:CB -0.03740 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1365 1.0 ARG-C:1HB 0.03710 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1366 1.0 ARG-C:2HB 0.03710 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1367 1.0 ARG-C:CG 0.07440 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1368 1.0 ARG-C:1HG 0.01850 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1369 1.0 ARG-C:2HG 0.01850 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1370 1.0 ARG-C:CD 0.11140 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1371 1.0 ARG-C:1HD 0.04680 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1372 1.0 ARG-C:2HD 0.04680 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1373 1.0 ARG-C:NE -0.55640 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1374 1.0 ARG-C:HE 0.34790 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1375 1.0 ARG-C:CZ 0.83680 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1376 1.0 ARG-C:NH1 -0.87370 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1377 1.0 ARG-C:1HH1 0.44930 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1378 1.0 ARG-C:2HH1 0.44930 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1379 1.0 ARG-C:NH2 -0.87370 N2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1380 1.0 ARG-C:1HH2 0.44930 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1381 1.0 ARG-C:2HH2 0.44930 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1382 1.0 ARG-C:C 0.85570 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1383 1.0 ARG-C:O -0.82660 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1384 1.0 ARG-C:OXT -0.82660 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1385 1.0 HIS-C:N -0.34810 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1386 1.0 HIS-C:H 0.27640 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1387 1.0 HIS-C:CA -0.14450 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1388 1.0 HIS-C:HA 0.11150 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1389 1.0 HIS-C:CB -0.08000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1390 1.0 HIS-C:1HB 0.08680 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1391 1.0 HIS-C:2HB 0.08680 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1392 1.0 HIS-C:CG 0.02980 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1393 1.0 HIS-C:ND1 -0.15010 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1394 1.0 HIS-C:HD1 0.38830 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1395 1.0 HIS-C:CE1 -0.02510 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1396 1.0 HIS-C:HE1 0.26940 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1397 1.0 HIS-C:NE2 -0.16830 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1398 1.0 HIS-C:CD2 -0.12560 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1399 1.0 HIS-C:HD2 0.23360 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1400 1.0 HIS-C:C 0.80320 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1401 1.0 HIS-C:O -0.81770 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1402 1.0 HIS-C:OXT -0.81770 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1403 1.0 HIS-C:N -0.34810 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1404 1.0 HIS-C:H 0.27640 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1405 1.0 HIS-C:CA -0.14450 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1406 1.0 HIS-C:HA 0.11150 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1407 1.0 HIS-C:CB -0.08000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1408 1.0 HIS-C:1HB 0.08680 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1409 1.0 HIS-C:2HB 0.08680 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1410 1.0 HIS-C:CG 0.02980 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1411 1.0 HIS-C:ND1 -0.15010 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1412 1.0 HIS-C:CE1 -0.02510 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1413 1.0 HIS-C:HE1 0.26940 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1414 1.0 HIS-C:NE2 -0.16830 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1415 1.0 HIS-C:HE2 0.39130 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1416 1.0 HIS-C:CD2 -0.12560 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1417 1.0 HIS-C:HD2 0.23360 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1418 1.0 HIS-C:C 0.80320 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1419 1.0 HIS-C:O -0.81770 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1420 1.0 HIS-C:OXT -0.81770 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1421 1.0 HIS-C:N -0.34810 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1422 1.0 HIS-C:H 0.27640 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1423 1.0 HIS-C:CA -0.14450 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1424 1.0 HIS-C:HA 0.11150 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1425 1.0 HIS-C:CB -0.08000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1426 1.0 HIS-C:1HB 0.08680 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1427 1.0 HIS-C:2HB 0.08680 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1428 1.0 HIS-C:CG 0.02980 CC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1429 1.0 HIS-C:ND1 -0.15010 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1430 1.0 HIS-C:HD1 0.38830 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1431 1.0 HIS-C:CE1 -0.02510 CR

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1432 1.0 HIS-C:HE1 0.26940 H5

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1433 1.0 HIS-C:NE2 -0.16830 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1434 1.0 HIS-C:HE2 0.39130 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1435 1.0 HIS-C:CD2 -0.12560 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1436 1.0 HIS-C:HD2 0.23360 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1437 1.0 HIS-C:C 0.80320 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1438 1.0 HIS-C:O -0.81770 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1439 1.0 HIS-C:OXT -0.81770 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1440 1.0 TRP-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1441 1.0 TRP-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1442 1.0 TRP-C:CA -0.20840 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1443 1.0 TRP-C:HA 0.12720 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1444 1.0 TRP-C:CB -0.07420 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1445 1.0 TRP-C:1HB 0.04970 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1446 1.0 TRP-C:2HB 0.04970 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1447 1.0 TRP-C:CG -0.07960 C*

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1448 1.0 TRP-C:CD1 -0.18080 CW

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1449 1.0 TRP-C:HD1 0.20430 H4

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1450 1.0 TRP-C:NE1 -0.33160 NA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1451 1.0 TRP-C:HE1 0.34130 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1452 1.0 TRP-C:CE2 0.12220 CN

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1453 1.0 TRP-C:CZ2 -0.25940 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1454 1.0 TRP-C:HZ2 0.15670 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1455 1.0 TRP-C:CH2 -0.10200 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1456 1.0 TRP-C:HH2 0.14010 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1457 1.0 TRP-C:CZ3 -0.22870 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1458 1.0 TRP-C:HZ3 0.15070 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1459 1.0 TRP-C:CE3 -0.18370 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1460 1.0 TRP-C:HE3 0.14910 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1461 1.0 TRP-C:CD2 0.10780 CB

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1462 1.0 TRP-C:C 0.76580 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1463 1.0 TRP-C:O -0.80110 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1464 1.0 TRP-C:OXT -0.80110 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1465 1.0 PHE-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1466 1.0 PHE-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1467 1.0 PHE-C:CA -0.18250 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1468 1.0 PHE-C:HA 0.10980 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1469 1.0 PHE-C:CB -0.09590 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1470 1.0 PHE-C:1HB 0.04430 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1471 1.0 PHE-C:2HB 0.04430 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1472 1.0 PHE-C:CG 0.05520 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1473 1.0 PHE-C:CD1 -0.13000 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1474 1.0 PHE-C:HD1 0.14080 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1475 1.0 PHE-C:CE1 -0.18470 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1476 1.0 PHE-C:HE1 0.14610 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1477 1.0 PHE-C:CZ -0.09440 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1478 1.0 PHE-C:HZ 0.12800 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1479 1.0 PHE-C:CE2 -0.18470 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1480 1.0 PHE-C:HE2 0.14610 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1481 1.0 PHE-C:CD2 -0.13000 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1482 1.0 PHE-C:HD2 0.14080 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1483 1.0 PHE-C:C 0.76600 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1484 1.0 PHE-C:O -0.80260 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1485 1.0 PHE-C:OXT -0.80260 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1486 1.0 TYR-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1487 1.0 TYR-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1488 1.0 TYR-C:CA -0.20150 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1489 1.0 TYR-C:HA 0.10920 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1490 1.0 TYR-C:CB -0.07520 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1491 1.0 TYR-C:1HB 0.04900 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1492 1.0 TYR-C:2HB 0.04900 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1493 1.0 TYR-C:CG 0.02430 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1494 1.0 TYR-C:CD1 -0.19220 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1495 1.0 TYR-C:HD1 0.17800 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1496 1.0 TYR-C:CE1 -0.24580 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1497 1.0 TYR-C:HE1 0.16730 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1498 1.0 TYR-C:CZ 0.33950 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1499 1.0 TYR-C:OH -0.56430 OH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1500 1.0 TYR-C:HH 0.40170 HO

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1501 1.0 TYR-C:CE2 -0.24580 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1502 1.0 TYR-C:HE2 0.16730 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1503 1.0 TYR-C:CD2 -0.19220 CA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1504 1.0 TYR-C:HD2 0.17800 HA

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1505 1.0 TYR-C:C 0.78170 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1506 1.0 TYR-C:O -0.80700 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1507 1.0 TYR-C:OXT -0.80700 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1508 1.0 GLU-C:N -0.51920 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1509 1.0 GLU-C:H 0.30550 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1510 1.0 GLU-C:CA -0.20590 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1511 1.0 GLU-C:HA 0.13990 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1512 1.0 GLU-C:CB 0.00710 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1513 1.0 GLU-C:1HB -0.00780 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1514 1.0 GLU-C:2HB -0.00780 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1515 1.0 GLU-C:CG 0.06750 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1516 1.0 GLU-C:1HG -0.05480 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1517 1.0 GLU-C:2HG -0.05480 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1518 1.0 GLU-C:CD 0.81830 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1519 1.0 GLU-C:OE1 -0.82200 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1520 1.0 GLU-C:OE2 -0.82200 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1521 1.0 GLU-C:C 0.74200 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1522 1.0 GLU-C:O -0.79300 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1523 1.0 GLU-C:OXT -0.79300 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1524 1.0 ASP-C:N -0.51920 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1525 1.0 ASP-C:H 0.30550 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1526 1.0 ASP-C:CA -0.18170 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1527 1.0 ASP-C:HA 0.10460 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1528 1.0 ASP-C:CB -0.06770 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1529 1.0 ASP-C:1HB -0.02120 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1530 1.0 ASP-C:2HB -0.02120 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1531 1.0 ASP-C:CG 0.88510 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1532 1.0 ASP-C:OD1 -0.81620 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1533 1.0 ASP-C:OD2 -0.81620 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1534 1.0 ASP-C:C 0.72560 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1535 1.0 ASP-C:O -0.78870 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1536 1.0 ASP-C:OXT -0.78870 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1537 1.0 LYS-C:N -0.34810 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1538 1.0 LYS-C:H 0.27640 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1539 1.0 LYS-C:CA -0.29030 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1540 1.0 LYS-C:HA 0.14380 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1541 1.0 LYS-C:CB -0.05380 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1542 1.0 LYS-C:1HB 0.04820 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1543 1.0 LYS-C:2HB 0.04820 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1544 1.0 LYS-C:CG 0.02270 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1545 1.0 LYS-C:1HG 0.01340 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1546 1.0 LYS-C:2HG 0.01340 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1547 1.0 LYS-C:CD -0.03920 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1548 1.0 LYS-C:1HD 0.06110 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1549 1.0 LYS-C:2HD 0.06110 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1550 1.0 LYS-C:CE -0.01760 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1551 1.0 LYS-C:1HE 0.11210 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1552 1.0 LYS-C:2HE 0.11210 HP

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1553 1.0 LYS-C:NZ -0.37410 N3

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1554 1.0 LYS-C:1HZ 0.33740 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1555 1.0 LYS-C:2HZ 0.33740 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1556 1.0 LYS-C:3HZ 0.33740 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1557 1.0 LYS-C:C 0.84880 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1558 1.0 LYS-C:O -0.82520 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1559 1.0 LYS-C:OXT -0.82520 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1560 1.0 PRO-C:N -0.28020 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1561 1.0 PRO-C:CD 0.04340 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1562 1.0 PRO-C:1HD 0.03310 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1563 1.0 PRO-C:2HD 0.03310 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1564 1.0 PRO-C:CG 0.04660 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1565 1.0 PRO-C:1HG 0.01720 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1566 1.0 PRO-C:2HG 0.01720 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1567 1.0 PRO-C:CB -0.05430 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1568 1.0 PRO-C:1HB 0.03810 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1569 1.0 PRO-C:2HB 0.03810 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1570 1.0 PRO-C:CA -0.13360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1571 1.0 PRO-C:HA 0.07760 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1572 1.0 PRO-C:C 0.66310 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1573 1.0 PRO-C:O -0.76970 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1574 1.0 PRO-C:OXT -0.76970 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1575 1.0 CYS-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1576 1.0 CYS-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1577 1.0 CYS-C:CA -0.16350 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1578 1.0 CYS-C:HA 0.13960 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1579 1.0 CYS-C:CB -0.19960 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1580 1.0 CYS-C:1HB 0.14370 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1581 1.0 CYS-C:2HB 0.14370 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1582 1.0 CYS-C:SG -0.31020 SH

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1583 1.0 CYS-C:HSG 0.20680 HS

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1584 1.0 CYS-C:C 0.74970 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1585 1.0 CYS-C:O -0.79810 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1586 1.0 CYS-C:OXT -0.79810 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1587 1.0 CYS-CS:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1588 1.0 CYS-CS:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1589 1.0 CYS-CS:CA -0.13180 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1590 1.0 CYS-CS:HA 0.09380 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1591 1.0 CYS-CS:CB -0.19430 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1592 1.0 CYS-CS:1HB 0.12280 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1593 1.0 CYS-CS:2HB 0.12280 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1594 1.0 CYS-CS:SG -0.05290 S

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1595 1.0 CYS-CS:C 0.76180 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1596 1.0 CYS-CS:O -0.80410 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1597 1.0 CYS-CS:OXT -0.80410 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1598 1.0 MET-C:N -0.38210 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1599 1.0 MET-C:H 0.26810 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1600 1.0 MET-C:CA -0.25970 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1601 1.0 MET-C:HA 0.12770 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1602 1.0 MET-C:CB -0.02360 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1603 1.0 MET-C:1HB 0.04800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1604 1.0 MET-C:2HB 0.04800 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1605 1.0 MET-C:CG 0.04920 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1606 1.0 MET-C:1HG 0.03170 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1607 1.0 MET-C:2HG 0.03170 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1608 1.0 MET-C:SD -0.26920 S

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1609 1.0 MET-C:CE -0.03760 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1610 1.0 MET-C:1HE 0.06250 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1611 1.0 MET-C:2HE 0.06250 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1612 1.0 MET-C:3HE 0.06250 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1613 1.0 MET-C:C 0.80130 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1614 1.0 MET-C:O -0.81050 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1615 1.0 MET-C:OXT -0.81050 O2

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1616 1.0 CA:CA 2.00000 C0

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1617 1.0 MG:MG 2.00000 MG

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1618 1.0 CH4-M:C 0.00000 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1619 1.0 CH4-M:1H 0.00000 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1620 1.0 CH4-M:2H 0.00000 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1621 1.0 CH4-M:3H 0.00000 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1622 1.0 CH4-M:4H 0.00000 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1623 1.0 PCA:N -0.720984 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1624 1.0 PCA:H 0.374677 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1625 1.0 PCA:CA -0.025874 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1626 1.0 PCA:C 0.865161 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1627 1.0 PCA:O -0.798202 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1628 1.0 PCA:CB 0.114954 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1629 1.0 PCA:CG -0.126748 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1630 1.0 PCA:CD 0.770356 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1631 1.0 PCA:OE -0.682912 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1632 1.0 PCA:HA 0.039708 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1633 1.0 PCA:1HB 0.000266 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1634 1.0 PCA:2HB -0.031861 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1635 1.0 PCA:1HG 0.034072 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1636 1.0 PCA:2HG 0.025655 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1637 1.0 PCA:OXT -0.838268 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1638 1.0 PCA-N:N -0.720984 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1639 1.0 PCA-N:H 0.374677 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1640 1.0 PCA-N:CA -0.025874 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1641 1.0 PCA-N:C 0.865161 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1642 1.0 PCA-N:O -0.798202 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1643 1.0 PCA-N:CB 0.114954 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1644 1.0 PCA-N:CG -0.126748 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1645 1.0 PCA-N:CD 0.770356 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1646 1.0 PCA-N:OE -0.682912 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1647 1.0 PCA-N:HA 0.039708 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1648 1.0 PCA-N:1HB 0.000266 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1649 1.0 PCA-N:2HB -0.031861 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1650 1.0 PCA-N:1HG 0.034072 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1651 1.0 PCA-N:2HG 0.025655 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1652 1.0 PCA-M:N -0.720984 N

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1653 1.0 PCA-M:H 0.374677 H

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1654 1.0 PCA-M:CA -0.025874 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1655 1.0 PCA-M:C 0.865161 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1656 1.0 PCA-M:O -0.798202 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1657 1.0 PCA-M:CB 0.114954 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1658 1.0 PCA-M:CG -0.126748 CT

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1659 1.0 PCA-M:CD 0.770356 C

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1660 1.0 PCA-M:OE -0.682912 O

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1661 1.0 PCA-M:HA 0.039708 H1

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1662 1.0 PCA-M:1HB 0.000266 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1663 1.0 PCA-M:2HB -0.031861 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1664 1.0 PCA-M:1HG 0.034072 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1665 1.0 PCA-M:2HG 0.025655 HC

bac3c274238f Migrated tool version 0.93 from old tool shed archive to new tool shed repository

marcel

parents:

diff changeset

1666 1.0 PCA-M:OXT -0.838268 O

Mercurial > repos > marcel > caddsuite_linux_x86_64

annotate CADDSuite/data/Amber/amber96-docking.ini @ 0:bac3c274238f