diff --git a/modules/mol/alg/pymod/__init__.py b/modules/mol/alg/pymod/__init__.py
index 193eb287c7ae259f0926f60bf8daa4d0d7913d5a..10cb898b984204424b914439d5b84abb61f9b974 100644
--- a/modules/mol/alg/pymod/__init__.py
+++ b/modules/mol/alg/pymod/__init__.py
@@ -1,3 +1,4 @@
+import os.path
from _ost_mol_alg import *
from ost.mol.alg.superpose import *
import ost.mol.alg.trajectory_analysis
@@ -10,3 +11,43 @@ def FillClashingDistancesFromFile(filename,default_clashing_distance,default_tol
lines=fh.readlines()
fh.close()
return FillClashingDistances(lines,default_clashing_distance,default_tolerance)
+
+
+def FillBondStereoChemicalParamsFromFile(filename):
+ fh=open(filename,'r')
+ lines=fh.readlines()
+ fh.close()
+ return FillBondStereoChemicalParams("Bond",lines)
+
+
+def FillAngleStereoChemicalParamsFromFile(filename):
+ fh=open(filename,'r')
+ lines=fh.readlines()
+ fh.close()
+ return FillAngleStereoChemicalParams("Angle",lines)
+
+
+def DefaultClashingDistances():
+ shared_path=ost.GetSharedDataPath()
+ filename=os.path.join(shared_path,'stereo_chemical_props.txt')
+ fh=open(filename,'r')
+ lines=fh.readlines()
+ fh.close()
+ return FillClashingDistances(lines,1.5,0.0)
+
+def DefaultBondStereoChemicalParams():
+ shared_path=ost.GetSharedDataPath()
+ filename=os.path.join(shared_path,'stereo_chemical_props.txt')
+ fh=open(filename,'r')
+ lines=fh.readlines()
+ fh.close()
+ return FillStereoChemicalParams("Bond",lines)
+
+def DefaultAngleStereoChemicalParams():
+ shared_path=ost.GetSharedDataPath()
+ filename=os.path.join(shared_path,'stereo_chemical_props.txt')
+ fh=open(filename,'r')
+ lines=fh.readlines()
+ fh.close()
+ return FillStereoChemicalParams("Angle",lines)
+
diff --git a/modules/mol/alg/src/new_stereo_chemical_props.txt b/modules/mol/alg/src/new_stereo_chemical_props.txt
deleted file mode 100644
index 25262efd7689fc76f4d6ea1a7c75e342e840ea1d..0000000000000000000000000000000000000000
--- a/modules/mol/alg/src/new_stereo_chemical_props.txt
+++ /dev/null
@@ -1,345 +0,0 @@
-Bond Residue Mean StdDev
-CA-CB ALA 1.520 0.021
-N-CA ALA 1.459 0.020
-CA-C ALA 1.525 0.026
-C-O ALA 1.229 0.019
-CA-CB ARG 1.535 0.022
-CB-CG ARG 1.521 0.027
-CG-CD ARG 1.515 0.025
-CD-NE ARG 1.460 0.017
-NE-CZ ARG 1.326 0.013
-CZ-NH1 ARG 1.326 0.013
-CZ-NH2 ARG 1.326 0.013
-N-CA ARG 1.459 0.020
-CA-C ARG 1.525 0.026
-C-O ARG 1.229 0.019
-CA-CB ASN 1.527 0.026
-CB-CG ASN 1.506 0.023
-CG-OD1 ASN 1.235 0.022
-CG-ND2 ASN 1.324 0.025
-N-CA ASN 1.459 0.020
-CA-C ASN 1.525 0.026
-C-O ASN 1.229 0.019
-CA-CB ASP 1.535 0.022
-CB-CG ASP 1.513 0.021
-CG-OD1 ASP 1.249 0.023
-CG-OD2 ASP 1.249 0.023
-N-CA ASP 1.459 0.020
-CA-C ASP 1.525 0.026
-C-O ASP 1.229 0.019
-CA-CB CYS 1.526 0.013
-CB-SG CYS 1.812 0.016
-N-CA CYS 1.459 0.020
-CA-C CYS 1.525 0.026
-C-O CYS 1.229 0.019
-CA-CB GLU 1.535 0.022
-CB-CG GLU 1.517 0.019
-CG-CD GLU 1.515 0.015
-CD-OE1 GLU 1.252 0.011
-CD-OE2 GLU 1.252 0.011
-N-CA GLU 1.459 0.020
-CA-C GLU 1.525 0.026
-C-O GLU 1.229 0.019
-CA-CB GLN 1.535 0.022
-CB-CG GLN 1.521 0.027
-CG-CD GLN 1.506 0.023
-CD-OE1 GLN 1.235 0.022
-CD-NE2 GLN 1.324 0.025
-N-CA GLN 1.459 0.020
-CA-C GLN 1.525 0.026
-C-O GLN 1.229 0.019
-N-CA GLY 1.456 0.015
-CA-C GLY 1.514 0.016
-C-O GLY 1.232 0.016
-CA-CB HIS 1.535 0.022
-CB-CG HIS 1.492 0.016
-CG-ND1 HIS 1.369 0.015
-CG-CD2 HIS 1.353 0.017
-ND1-CE1 HIS 1.343 0.025
-CD2-NE2 HIS 1.415 0.021
-CE1-NE2 HIS 1.322 0.023
-N-CA HIS 1.459 0.020
-CA-C HIS 1.525 0.026
-C-O HIS 1.229 0.019
-CA-CB ILE 1.544 0.023
-CB-CG1 ILE 1.536 0.028
-CB-CG2 ILE 1.524 0.031
-CG1-CD1 ILE 1.500 0.069
-N-CA ILE 1.459 0.020
-CA-C ILE 1.525 0.026
-C-O ILE 1.229 0.019
-CA-CB LEU 1.533 0.023
-CB-CG LEU 1.521 0.029
-CG-CD1 LEU 1.514 0.037
-CG-CD2 LEU 1.514 0.037
-N-CA LEU 1.459 0.020
-CA-C LEU 1.525 0.026
-C-O LEU 1.229 0.019
-CA-CB LYS 1.535 0.022
-CB-CG LYS 1.521 0.027
-CG-CD LYS 1.520 0.034
-CD-CE LYS 1.508 0.025
-CE-NZ LYS 1.486 0.025
-N-CA LYS 1.459 0.020
-CA-C LYS 1.525 0.026
-C-O LYS 1.229 0.019
-CA-CB MET 1.535 0.022
-CB-CG MET 1.509 0.032
-CG-SD MET 1.807 0.026
-SD-CE MET 1.774 0.056
-N-CA MET 1.459 0.020
-CA-C MET 1.525 0.026
-C-O MET 1.229 0.019
-CA-CB PHE 1.535 0.022
-CB-CG PHE 1.509 0.017
-CG-CD1 PHE 1.383 0.015
-CG-CD2 PHE 1.383 0.015
-CD1-CE1 PHE 1.388 0.020
-CD2-CE2 PHE 1.388 0.020
-CE1-CZ PHE 1.369 0.019
-CE2-CZ PHE 1.369 0.019
-N-CA PHE 1.459 0.020
-CA-C PHE 1.525 0.026
-C-O PHE 1.229 0.019
-CA-CB PRO 1.531 0.020
-CB-CG PRO 1.495 0.050
-CG-CD PRO 1.502 0.033
-CD-N PRO 1.474 0.014
-N-CA PRO 1.468 0.017
-CA-C PRO 1.524 0.020
-C-O PRO 1.228 0.020
-CA-CB SER 1.525 0.015
-CB-OG SER 1.418 0.013
-N-CA SER 1.459 0.020
-CA-C SER 1.525 0.026
-C-O SER 1.229 0.019
-CA-CB THR 1.529 0.026
-CB-OG1 THR 1.428 0.020
-CB-CG2 THR 1.519 0.033
-N-CA THR 1.459 0.020
-CA-C THR 1.525 0.026
-C-O THR 1.229 0.019
-CA-CB TRP 1.535 0.022
-CB-CG TRP 1.498 0.018
-CG-CD1 TRP 1.363 0.014
-CG-CD2 TRP 1.432 0.017
-CD1-NE1 TRP 1.375 0.017
-NE1-CE2 TRP 1.371 0.013
-CD2-CE2 TRP 1.409 0.012
-CD2-CE3 TRP 1.399 0.015
-CE2-CZ2 TRP 1.393 0.017
-CE3-CZ3 TRP 1.380 0.017
-CZ2-CH2 TRP 1.369 0.019
-CZ3-CH2 TRP 1.396 0.016
-N-CA TRP 1.459 0.020
-CA-C TRP 1.525 0.026
-C-O TRP 1.229 0.019
-CA-CB TYR 1.535 0.022
-CB-CG TYR 1.512 0.015
-CG-CD1 TYR 1.387 0.013
-CG-CD2 TYR 1.387 0.013
-CD1-CE1 TYR 1.389 0.015
-CD2-CE2 TYR 1.389 0.015
-CE1-CZ TYR 1.381 0.013
-CE2-CZ TYR 1.381 0.013
-CZ-OH TYR 1.374 0.017
-N-CA TYR 1.459 0.020
-CA-C TYR 1.525 0.026
-C-O TYR 1.229 0.019
-CA-CB VAL 1.543 0.021
-CB-CG1 VAL 1.524 0.021
-CB-CG2 VAL 1.524 0.021
-N-CA VAL 1.459 0.020
-CA-C VAL 1.525 0.026
-C-O VAL 1.229 0.019
--
-
-Angle Residue Mean StdDev
-N-CA-CB ALA 110.1 1.4
-CB-CA-C ALA 110.1 1.5
-N-CA-C ALA 111.0 2.7
-CA-C-O ALA 120.1 2.1
-N-CA-CB ARG 110.6 1.8
-CB-CA-C ARG 110.4 2.0
-CA-CB-CG ARG 113.4 2.2
-CB-CG-CD ARG 111.6 2.6
-CG-CD-NE ARG 111.8 2.1
-CD-NE-CZ ARG 123.6 1.4
-NE-CZ-NH1 ARG 120.3 0.5
-NE-CZ-NH2 ARG 120.3 0.5
-NH1-CZ-NH2 ARG 119.4 1.1
-N-CA-C ARG 111.0 2.7
-CA-C-O ARG 120.1 2.1
-N-CA-CB ASN 110.6 1.8
-CB-CA-C ASN 110.4 2.0
-CA-CB-CG ASN 113.4 2.2
-CB-CG-ND2 ASN 116.7 2.4
-CB-CG-OD1 ASN 121.6 2.0
-ND2-CG-OD1 ASN 121.9 2.3
-N-CA-C ASN 111.0 2.7
-CA-C-O ASN 120.1 2.1
-N-CA-CB ASP 110.6 1.8
-CB-CA-C ASP 110.4 2.0
-CA-CB-CG ASP 113.4 2.2
-CB-CG-OD1 ASP 118.3 0.9
-CB-CG-OD2 ASP 118.3 0.9
-OD1-CG-OD2 ASP 123.3 1.9
-N-CA-C ASP 111.0 2.7
-CA-C-O ASP 120.1 2.1
-N-CA-CB CYS 110.8 1.5
-CB-CA-C CYS 111.5 1.2
-CA-CB-SG CYS 114.2 1.1
-N-CA-C CYS 111.0 2.7
-CA-C-O CYS 120.1 2.1
-N-CA-CB GLU 110.6 1.8
-CB-CA-C GLU 110.4 2.0
-CA-CB-CG GLU 113.4 2.2
-CB-CG-CD GLU 114.2 2.7
-CG-CD-OE1 GLU 118.3 2.0
-CG-CD-OE2 GLU 118.3 2.0
-OE1-CD-OE2 GLU 123.3 1.2
-N-CA-C GLU 111.0 2.7
-CA-C-O GLU 120.1 2.1
-N-CA-CB GLN 110.6 1.8
-CB-CA-C GLN 110.4 2.0
-CA-CB-CG GLN 113.4 2.2
-CB-CG-CD GLN 111.6 2.6
-CG-CD-OE1 GLN 121.6 2.0
-CG-CD-NE2 GLN 116.7 2.4
-OE1-CD-NE2 GLN 121.9 2.3
-N-CA-C GLN 111.0 2.7
-CA-C-O GLN 120.1 2.1
-N-CA-C GLY 113.1 2.5
-CA-C-O GLY 120.6 1.8
-N-CA-CB HIS 110.6 1.8
-CB-CA-C HIS 110.4 2.0
-CA-CB-CG HIS 113.6 1.7
-CB-CG-ND1 HIS 123.2 2.5
-CB-CG-CD2 HIS 130.8 3.1
-CG-ND1-CE1 HIS 108.2 1.4
-ND1-CE1-NE2 HIS 109.9 2.2
-CE1-NE2-CD2 HIS 106.6 2.5
-NE2-CD2-CG HIS 109.2 1.9
-CD2-CG-ND1 HIS 106.0 1.4
-N-CA-C HIS 111.0 2.7
-CA-C-O HIS 120.1 2.1
-N-CA-CB ILE 110.8 2.3
-CB-CA-C ILE 111.6 2.0
-CA-CB-CG1 ILE 111.0 1.9
-CB-CG1-CD1 ILE 113.9 2.8
-CA-CB-CG2 ILE 110.9 2.0
-CG1-CB-CG2 ILE 111.4 2.2
-N-CA-C ILE 111.0 2.7
-CA-C-O ILE 120.1 2.1
-N-CA-CB LEU 110.4 2.0
-CB-CA-C LEU 110.2 1.9
-CA-CB-CG LEU 115.3 2.3
-CB-CG-CD1 LEU 111.0 1.7
-CB-CG-CD2 LEU 111.0 1.7
-CD1-CG-CD2 LEU 110.5 3.0
-N-CA-C LEU 111.0 2.7
-CA-C-O LEU 120.1 2.1
-N-CA-CB LYS 110.6 1.8
-CB-CA-C LYS 110.4 2.0
-CA-CB-CG LYS 113.4 2.2
-CB-CG-CD LYS 111.6 2.6
-CG-CD-CE LYS 111.9 3.0
-CD-CE-NZ LYS 111.7 2.3
-N-CA-C LYS 111.0 2.7
-CA-C-O LYS 120.1 2.1
-N-CA-CB MET 110.6 1.8
-CB-CA-C MET 110.4 2.0
-CA-CB-CG MET 113.3 1.7
-CB-CG-SD MET 112.4 3.0
-CG-SD-CE MET 100.2 1.6
-N-CA-C MET 111.0 2.7
-CA-C-O MET 120.1 2.1
-N-CA-CB PHE 110.6 1.8
-CB-CA-C PHE 110.4 2.0
-CA-CB-CG PHE 113.9 2.4
-CB-CG-CD1 PHE 120.8 0.7
-CB-CG-CD2 PHE 120.8 0.7
-CD1-CG-CD2 PHE 118.3 1.3
-CG-CD1-CE1 PHE 120.8 1.1
-CG-CD2-CE2 PHE 120.8 1.1
-CD1-CE1-CZ PHE 120.1 1.2
-CD2-CE2-CZ PHE 120.1 1.2
-CE1-CZ-CE2 PHE 120.0 1.8
-N-CA-C PHE 111.0 2.7
-CA-C-O PHE 120.1 2.1
-N-CA-CB PRO 103.3 1.2
-CB-CA-C PRO 111.7 2.1
-CA-CB-CG PRO 104.8 1.9
-CB-CG-CD PRO 106.5 3.9
-CG-CD-N PRO 103.2 1.5
-CA-N-CD PRO 111.7 1.4
-N-CA-C PRO 112.1 2.6
-CA-C-O PRO 120.2 2.4
-N-CA-CB SER 110.5 1.5
-CB-CA-C SER 110.1 1.9
-CA-CB-OG SER 111.2 2.7
-N-CA-C SER 111.0 2.7
-CA-C-O SER 120.1 2.1
-N-CA-CB THR 110.3 1.9
-CB-CA-C THR 111.6 2.7
-CA-CB-OG1 THR 109.0 2.1
-CA-CB-CG2 THR 112.4 1.4
-OG1-CB-CG2 THR 110.0 2.3
-N-CA-C THR 111.0 2.7
-CA-C-O THR 120.1 2.1
-N-CA-CB TRP 110.6 1.8
-CB-CA-C TRP 110.4 2.0
-CA-CB-CG TRP 113.7 1.9
-CB-CG-CD1 TRP 127.0 1.3
-CB-CG-CD2 TRP 126.6 1.3
-CD1-CG-CD2 TRP 106.3 0.8
-CG-CD1-NE1 TRP 110.1 1.0
-CD1-NE1-CE2 TRP 109.0 0.9
-NE1-CE2-CD2 TRP 107.3 1.0
-CE2-CD2-CG TRP 107.3 0.8
-CG-CD2-CE3 TRP 133.9 0.9
-NE1-CE2-CZ2 TRP 130.4 1.1
-CE3-CD2-CE2 TRP 118.7 1.2
-CD2-CE2-CZ2 TRP 122.3 1.2
-CE2-CZ2-CH2 TRP 117.4 1.0
-CZ2-CH2-CZ3 TRP 121.6 1.2
-CH2-CZ3-CE3 TRP 121.2 1.1
-CZ3-CE3-CD2 TRP 118.8 1.3
-N-CA-C TRP 111.0 2.7
-CA-C-O TRP 120.1 2.1
-N-CA-CB TYR 110.6 1.8
-CB-CA-C TYR 110.4 2.0
-CA-CB-CG TYR 113.4 1.9
-CB-CG-CD1 TYR 121.0 0.6
-CB-CG-CD2 TYR 121.0 0.6
-CD1-CG-CD2 TYR 117.9 1.1
-CG-CD1-CE1 TYR 121.3 0.8
-CG-CD2-CE2 TYR 121.3 0.8
-CD1-CE1-CZ TYR 119.8 0.9
-CD2-CE2-CZ TYR 119.8 0.9
-CE1-CZ-CE2 TYR 119.8 1.6
-CE1-CZ-OH TYR 120.1 2.7
-CE2-CZ-OH TYR 120.1 2.7
-N-CA-C TYR 111.0 2.7
-CA-C-O TYR 120.1 2.1
-N-CA-CB VAL 111.5 2.2
-CB-CA-C VAL 111.4 1.9
-CA-CB-CG1 VAL 110.9 1.5
-CA-CB-CG2 VAL 110.9 1.5
-CG1-CB-CG2 VAL 110.9 1.6
-N-CA-C VAL 111.0 2.7
-CA-C-O VAL 120.1 2.1
--
-
-Non-bonded distance Minimum Dist Tolerance
-C-C 3.4 1.5
-C-N 3.25 1.5
-C-S 3.5 1.5
-C-O 3.22 1.5
-N-N 3.1 1.5
-N-S 3.35 1.5
-N-O 3.07 1.5
-O-S 3.32 1.5
-O-O 3.04 1.5
-S-S 2.03 1.0
--
diff --git a/modules/mol/alg/src/stereo_chemical_props.txt b/modules/mol/alg/src/stereo_chemical_props.txt
index f17af3cf31baf8789c648fb1d5f1eff1d882a46d..25262efd7689fc76f4d6ea1a7c75e342e840ea1d 100644
--- a/modules/mol/alg/src/stereo_chemical_props.txt
+++ b/modules/mol/alg/src/stereo_chemical_props.txt
@@ -1,367 +1,345 @@
-# This file contains stereochemical parameters used to evaluate the quality of models.
-# Bond distances and Angles come from Engh,Huber (1991). Non bonded distances come from
-
Bond Residue Mean StdDev
-N-CA ALA 1.458 0.019
-CA-C ALA 1.525 0.021
-C-O ALA 1.231 0.02
-CA-CB ALA 1.521 0.033
-N-CA CYS 1.458 0.019
-CA-C CYS 1.525 0.021
-C-O CYS 1.231 0.02
-CA-CB CYS 1.53 0.02
-CB-SG CYS 1.808 0.033
-N-CA ASP 1.458 0.019
-CA-C ASP 1.525 0.021
-C-O ASP 1.231 0.02
-CA-CB ASP 1.53 0.02
-CB-CG ASP 1.516 0.025
-CG-OD1 ASP 1.249 0.019
-CG-OD2 ASP 1.249 0.019
-N-CA GLU 1.458 0.019
-CA-C GLU 1.525 0.021
-C-O GLU 1.231 0.02
-CA-CB GLU 1.53 0.02
-CB-CG GLU 1.52 0.03
-CG-CD GLU 1.516 0.025
-CD-OE1 GLU 1.249 0.019
-CD-OE2 GLU 1.249 0.019
-N-CA PHE 1.458 0.019
-CA-C PHE 1.525 0.021
-C-O PHE 1.231 0.02
-CA-CB PHE 1.53 0.02
-CB-CG PHE 1.502 0.023
-CG-CD1 PHE 1.384 0.021
-CG-CD2 PHE 1.384 0.021
-CD1-CE1 PHE 1.382 0.03
-CD2-CE2 PHE 1.382 0.03
-CE1-CZ PHE 1.382 0.03
-CE2-CZ PHE 1.382 0.03
-N-CA GLY 1.451 0.016
-CA-C GLY 1.516 0.018
-C-O GLY 1.231 0.02
-N-CA HIS 1.458 0.019
-CA-C HIS 1.525 0.021
-C-O HIS 1.231 0.02
-CA-CB HIS 1.53 0.02
-CB-CG HIS 1.497 0.014
-CG-ND1 HIS 1.378 0.011
-CG-CD2 HIS 1.354 0.011
-ND1-CE1 HIS 1.321 0.01
-CD2-NE2 HIS 1.374 0.011
-CE1-NE2 HIS 1.321 0.01
-N-CA ILE 1.458 0.019
-CA-C ILE 1.525 0.021
-C-O ILE 1.231 0.02
-CA-CB ILE 1.54 0.027
-CB-CG1 ILE 1.53 0.02
-CB-CG2 ILE 1.521 0.033
-CG1-CD1 ILE 1.513 0.039
-N-CA LYS 1.458 0.019
-CA-C LYS 1.525 0.021
-C-O LYS 1.231 0.02
-CA-CB LYS 1.53 0.02
-CB-CG LYS 1.52 0.03
-CG-CD LYS 1.52 0.03
-CD-CE LYS 1.52 0.03
-CE-NZ LYS 1.489 0.03
-N-CA LEU 1.458 0.019
-CA-C LEU 1.525 0.021
-C-O LEU 1.231 0.02
-CA-CB LEU 1.53 0.02
-CB-CG LEU 1.53 0.02
-CG-CD1 LEU 1.521 0.033
-CG-CD2 LEU 1.521 0.033
-N-CA MET 1.458 0.019
-CA-C MET 1.525 0.021
-C-O MET 1.231 0.02
-CA-CB MET 1.53 0.02
-CB-CG MET 1.52 0.03
-CG-SD MET 1.803 0.034
-SD-CE MET 1.791 0.059
-N-CA ASN 1.458 0.019
-CA-C ASN 1.525 0.021
-C-O ASN 1.231 0.02
-CA-CB ASN 1.53 0.02
-CB-CG ASN 1.516 0.025
-CG-OD1 ASN 1.231 0.02
-CG-ND2 ASN 1.328 0.021
-N-CA PRO 1.466 0.015
-CA-C PRO 1.525 0.021
-C-O PRO 1.231 0.02
-CA-CB PRO 1.53 0.02
-CB-CG PRO 1.492 0.05
-CG-CD PRO 1.503 0.034
-CD-N PRO 1.473 0.014
-N-CA GLN 1.458 0.019
-CA-C GLN 1.525 0.021
-C-O GLN 1.231 0.02
-CA-CB GLN 1.53 0.02
-CB-CG GLN 1.52 0.03
-CG-CD GLN 1.516 0.025
-CD-OE1 GLN 1.231 0.02
-CD-NE2 GLN 1.328 0.021
-N-CA ARG 1.458 0.019
-CA-C ARG 1.525 0.021
-C-O ARG 1.231 0.02
-CA-CB ARG 1.53 0.02
-CB-CG ARG 1.52 0.03
-CG-CD ARG 1.52 0.03
-CD-NE ARG 1.46 0.018
-NE-CZ ARG 1.329 0.014
-CZ-NH1 ARG 1.326 0.018
-CZ-NH2 ARG 1.326 0.018
-N-CA SER 1.458 0.019
-CA-C SER 1.525 0.021
-C-O SER 1.231 0.02
-CA-CB SER 1.53 0.02
-CB-OG SER 1.417 0.02
-N-CA THR 1.458 0.019
-CA-C THR 1.525 0.021
-C-O THR 1.231 0.02
-CA-CB THR 1.54 0.027
-CB-OG1 THR 1.433 0.016
-CB-CG2 THR 1.521 0.033
-N-CA VAL 1.458 0.019
-CA-C VAL 1.525 0.021
-C-O VAL 1.231 0.02
-CA-CB VAL 1.54 0.027
-CB-CG1 VAL 1.521 0.033
-CB-CG2 VAL 1.521 0.033
-N-CA TRP 1.458 0.019
-CA-C TRP 1.525 0.021
-C-O TRP 1.231 0.02
-CA-CB TRP 1.53 0.02
-CB-CG TRP 1.498 0.031
-CG-CD1 TRP 1.365 0.025
-CG-CD2 TRP 1.433 0.018
-CD1-NE1 TRP 1.374 0.021
-NE1-CE2 TRP 1.37 0.011
-CD2-CE2 TRP 1.409 0.017
-CD2-CE3 TRP 1.398 0.016
-CE2-CZ2 TRP 1.394 0.021
-CE3-CZ3 TRP 1.382 0.03
-CZ2-CH2 TRP 1.368 0.019
-CZ3-CH2 TRP 1.4 0.025
-N-CA TYR 1.458 0.019
-CA-C TYR 1.525 0.021
-C-O TYR 1.231 0.02
-CA-CB TYR 1.53 0.02
-CB-CG TYR 1.512 0.022
-CG-CD1 TYR 1.389 0.021
-CG-CD2 TYR 1.389 0.021
-CD1-CE1 TYR 1.382 0.03
-CD2-CE2 TYR 1.382 0.03
-CE1-CZ TYR 1.378 0.024
-CE2-CZ TYR 1.378 0.024
-CZ-OH TYR 1.376 0.021
+CA-CB ALA 1.520 0.021
+N-CA ALA 1.459 0.020
+CA-C ALA 1.525 0.026
+C-O ALA 1.229 0.019
+CA-CB ARG 1.535 0.022
+CB-CG ARG 1.521 0.027
+CG-CD ARG 1.515 0.025
+CD-NE ARG 1.460 0.017
+NE-CZ ARG 1.326 0.013
+CZ-NH1 ARG 1.326 0.013
+CZ-NH2 ARG 1.326 0.013
+N-CA ARG 1.459 0.020
+CA-C ARG 1.525 0.026
+C-O ARG 1.229 0.019
+CA-CB ASN 1.527 0.026
+CB-CG ASN 1.506 0.023
+CG-OD1 ASN 1.235 0.022
+CG-ND2 ASN 1.324 0.025
+N-CA ASN 1.459 0.020
+CA-C ASN 1.525 0.026
+C-O ASN 1.229 0.019
+CA-CB ASP 1.535 0.022
+CB-CG ASP 1.513 0.021
+CG-OD1 ASP 1.249 0.023
+CG-OD2 ASP 1.249 0.023
+N-CA ASP 1.459 0.020
+CA-C ASP 1.525 0.026
+C-O ASP 1.229 0.019
+CA-CB CYS 1.526 0.013
+CB-SG CYS 1.812 0.016
+N-CA CYS 1.459 0.020
+CA-C CYS 1.525 0.026
+C-O CYS 1.229 0.019
+CA-CB GLU 1.535 0.022
+CB-CG GLU 1.517 0.019
+CG-CD GLU 1.515 0.015
+CD-OE1 GLU 1.252 0.011
+CD-OE2 GLU 1.252 0.011
+N-CA GLU 1.459 0.020
+CA-C GLU 1.525 0.026
+C-O GLU 1.229 0.019
+CA-CB GLN 1.535 0.022
+CB-CG GLN 1.521 0.027
+CG-CD GLN 1.506 0.023
+CD-OE1 GLN 1.235 0.022
+CD-NE2 GLN 1.324 0.025
+N-CA GLN 1.459 0.020
+CA-C GLN 1.525 0.026
+C-O GLN 1.229 0.019
+N-CA GLY 1.456 0.015
+CA-C GLY 1.514 0.016
+C-O GLY 1.232 0.016
+CA-CB HIS 1.535 0.022
+CB-CG HIS 1.492 0.016
+CG-ND1 HIS 1.369 0.015
+CG-CD2 HIS 1.353 0.017
+ND1-CE1 HIS 1.343 0.025
+CD2-NE2 HIS 1.415 0.021
+CE1-NE2 HIS 1.322 0.023
+N-CA HIS 1.459 0.020
+CA-C HIS 1.525 0.026
+C-O HIS 1.229 0.019
+CA-CB ILE 1.544 0.023
+CB-CG1 ILE 1.536 0.028
+CB-CG2 ILE 1.524 0.031
+CG1-CD1 ILE 1.500 0.069
+N-CA ILE 1.459 0.020
+CA-C ILE 1.525 0.026
+C-O ILE 1.229 0.019
+CA-CB LEU 1.533 0.023
+CB-CG LEU 1.521 0.029
+CG-CD1 LEU 1.514 0.037
+CG-CD2 LEU 1.514 0.037
+N-CA LEU 1.459 0.020
+CA-C LEU 1.525 0.026
+C-O LEU 1.229 0.019
+CA-CB LYS 1.535 0.022
+CB-CG LYS 1.521 0.027
+CG-CD LYS 1.520 0.034
+CD-CE LYS 1.508 0.025
+CE-NZ LYS 1.486 0.025
+N-CA LYS 1.459 0.020
+CA-C LYS 1.525 0.026
+C-O LYS 1.229 0.019
+CA-CB MET 1.535 0.022
+CB-CG MET 1.509 0.032
+CG-SD MET 1.807 0.026
+SD-CE MET 1.774 0.056
+N-CA MET 1.459 0.020
+CA-C MET 1.525 0.026
+C-O MET 1.229 0.019
+CA-CB PHE 1.535 0.022
+CB-CG PHE 1.509 0.017
+CG-CD1 PHE 1.383 0.015
+CG-CD2 PHE 1.383 0.015
+CD1-CE1 PHE 1.388 0.020
+CD2-CE2 PHE 1.388 0.020
+CE1-CZ PHE 1.369 0.019
+CE2-CZ PHE 1.369 0.019
+N-CA PHE 1.459 0.020
+CA-C PHE 1.525 0.026
+C-O PHE 1.229 0.019
+CA-CB PRO 1.531 0.020
+CB-CG PRO 1.495 0.050
+CG-CD PRO 1.502 0.033
+CD-N PRO 1.474 0.014
+N-CA PRO 1.468 0.017
+CA-C PRO 1.524 0.020
+C-O PRO 1.228 0.020
+CA-CB SER 1.525 0.015
+CB-OG SER 1.418 0.013
+N-CA SER 1.459 0.020
+CA-C SER 1.525 0.026
+C-O SER 1.229 0.019
+CA-CB THR 1.529 0.026
+CB-OG1 THR 1.428 0.020
+CB-CG2 THR 1.519 0.033
+N-CA THR 1.459 0.020
+CA-C THR 1.525 0.026
+C-O THR 1.229 0.019
+CA-CB TRP 1.535 0.022
+CB-CG TRP 1.498 0.018
+CG-CD1 TRP 1.363 0.014
+CG-CD2 TRP 1.432 0.017
+CD1-NE1 TRP 1.375 0.017
+NE1-CE2 TRP 1.371 0.013
+CD2-CE2 TRP 1.409 0.012
+CD2-CE3 TRP 1.399 0.015
+CE2-CZ2 TRP 1.393 0.017
+CE3-CZ3 TRP 1.380 0.017
+CZ2-CH2 TRP 1.369 0.019
+CZ3-CH2 TRP 1.396 0.016
+N-CA TRP 1.459 0.020
+CA-C TRP 1.525 0.026
+C-O TRP 1.229 0.019
+CA-CB TYR 1.535 0.022
+CB-CG TYR 1.512 0.015
+CG-CD1 TYR 1.387 0.013
+CG-CD2 TYR 1.387 0.013
+CD1-CE1 TYR 1.389 0.015
+CD2-CE2 TYR 1.389 0.015
+CE1-CZ TYR 1.381 0.013
+CE2-CZ TYR 1.381 0.013
+CZ-OH TYR 1.374 0.017
+N-CA TYR 1.459 0.020
+CA-C TYR 1.525 0.026
+C-O TYR 1.229 0.019
+CA-CB VAL 1.543 0.021
+CB-CG1 VAL 1.524 0.021
+CB-CG2 VAL 1.524 0.021
+N-CA VAL 1.459 0.020
+CA-C VAL 1.525 0.026
+C-O VAL 1.229 0.019
-
Angle Residue Mean StdDev
-N-CA-C ALA 111.2 2.8
-CA-C-O ALA 120.8 1.7
-N-CA-CB ALA 110.4 1.5
-C-CA-CB ALA 110.5 1.5
-N-CA-C CYS 111.2 2.8
-CA-C-O CYS 120.8 1.7
-N-CA-CB CYS 110.5 1.7
-C-CA-CB CYS 110.1 1.9
-N-CA-C ASP 111.2 2.8
-CA-C-O ASP 120.8 1.7
-N-CA-CB ASP 110.5 1.7
-C-CA-CB ASP 110.1 1.9
-CA-CB-CG ASP 112.6 1.0
-CB-CG-OD2 ASP 118.4 2.3
-CB-CG-OD1 ASP 118.4 2.3
-OD2-CG-OD1 ASP 122.9 2.4
-N-CA-C GLU 111.2 2.8
-CA-C-O GLU 120.8 1.7
-N-CA-CB GLU 110.5 1.7
-C-CA-CB GLU 110.1 1.9
-CA-CB-CG GLU 114.1 2.0
-CB-CG-CD GLU 112.6 1.7
-CG-CD-OE2 GLU 118.4 2.3
-CG-CD-OE1 GLU 118.4 2.3
-OE2-CD-OE1 GLU 122.9 2.4
-N-CA-C PHE 111.2 2.8
-CA-C-O PHE 120.8 1.7
-N-CA-CB PHE 110.5 1.7
-C-CA-CB PHE 110.1 1.9
-CA-CB-CG PHE 113.8 1.0
-CB-CG-CD1 PHE 120.7 1.7
-CB-CG-CD2 PHE 120.7 1.7
-CG-CD1-CE1 PHE 120.7 1.7
-CG-CD2-CE2 PHE 120.7 1.7
-CD1-CE1-CZ PHE 120.0 1.8
-CD2-CE2-CZ PHE 120.0 1.8
+N-CA-CB ALA 110.1 1.4
+CB-CA-C ALA 110.1 1.5
+N-CA-C ALA 111.0 2.7
+CA-C-O ALA 120.1 2.1
+N-CA-CB ARG 110.6 1.8
+CB-CA-C ARG 110.4 2.0
+CA-CB-CG ARG 113.4 2.2
+CB-CG-CD ARG 111.6 2.6
+CG-CD-NE ARG 111.8 2.1
+CD-NE-CZ ARG 123.6 1.4
+NE-CZ-NH1 ARG 120.3 0.5
+NE-CZ-NH2 ARG 120.3 0.5
+NH1-CZ-NH2 ARG 119.4 1.1
+N-CA-C ARG 111.0 2.7
+CA-C-O ARG 120.1 2.1
+N-CA-CB ASN 110.6 1.8
+CB-CA-C ASN 110.4 2.0
+CA-CB-CG ASN 113.4 2.2
+CB-CG-ND2 ASN 116.7 2.4
+CB-CG-OD1 ASN 121.6 2.0
+ND2-CG-OD1 ASN 121.9 2.3
+N-CA-C ASN 111.0 2.7
+CA-C-O ASN 120.1 2.1
+N-CA-CB ASP 110.6 1.8
+CB-CA-C ASP 110.4 2.0
+CA-CB-CG ASP 113.4 2.2
+CB-CG-OD1 ASP 118.3 0.9
+CB-CG-OD2 ASP 118.3 0.9
+OD1-CG-OD2 ASP 123.3 1.9
+N-CA-C ASP 111.0 2.7
+CA-C-O ASP 120.1 2.1
+N-CA-CB CYS 110.8 1.5
+CB-CA-C CYS 111.5 1.2
+CA-CB-SG CYS 114.2 1.1
+N-CA-C CYS 111.0 2.7
+CA-C-O CYS 120.1 2.1
+N-CA-CB GLU 110.6 1.8
+CB-CA-C GLU 110.4 2.0
+CA-CB-CG GLU 113.4 2.2
+CB-CG-CD GLU 114.2 2.7
+CG-CD-OE1 GLU 118.3 2.0
+CG-CD-OE2 GLU 118.3 2.0
+OE1-CD-OE2 GLU 123.3 1.2
+N-CA-C GLU 111.0 2.7
+CA-C-O GLU 120.1 2.1
+N-CA-CB GLN 110.6 1.8
+CB-CA-C GLN 110.4 2.0
+CA-CB-CG GLN 113.4 2.2
+CB-CG-CD GLN 111.6 2.6
+CG-CD-OE1 GLN 121.6 2.0
+CG-CD-NE2 GLN 116.7 2.4
+OE1-CD-NE2 GLN 121.9 2.3
+N-CA-C GLN 111.0 2.7
+CA-C-O GLN 120.1 2.1
+N-CA-C GLY 113.1 2.5
+CA-C-O GLY 120.6 1.8
+N-CA-CB HIS 110.6 1.8
+CB-CA-C HIS 110.4 2.0
+CA-CB-CG HIS 113.6 1.7
+CB-CG-ND1 HIS 123.2 2.5
+CB-CG-CD2 HIS 130.8 3.1
+CG-ND1-CE1 HIS 108.2 1.4
+ND1-CE1-NE2 HIS 109.9 2.2
+CE1-NE2-CD2 HIS 106.6 2.5
+NE2-CD2-CG HIS 109.2 1.9
+CD2-CG-ND1 HIS 106.0 1.4
+N-CA-C HIS 111.0 2.7
+CA-C-O HIS 120.1 2.1
+N-CA-CB ILE 110.8 2.3
+CB-CA-C ILE 111.6 2.0
+CA-CB-CG1 ILE 111.0 1.9
+CB-CG1-CD1 ILE 113.9 2.8
+CA-CB-CG2 ILE 110.9 2.0
+CG1-CB-CG2 ILE 111.4 2.2
+N-CA-C ILE 111.0 2.7
+CA-C-O ILE 120.1 2.1
+N-CA-CB LEU 110.4 2.0
+CB-CA-C LEU 110.2 1.9
+CA-CB-CG LEU 115.3 2.3
+CB-CG-CD1 LEU 111.0 1.7
+CB-CG-CD2 LEU 111.0 1.7
+CD1-CG-CD2 LEU 110.5 3.0
+N-CA-C LEU 111.0 2.7
+CA-C-O LEU 120.1 2.1
+N-CA-CB LYS 110.6 1.8
+CB-CA-C LYS 110.4 2.0
+CA-CB-CG LYS 113.4 2.2
+CB-CG-CD LYS 111.6 2.6
+CG-CD-CE LYS 111.9 3.0
+CD-CE-NZ LYS 111.7 2.3
+N-CA-C LYS 111.0 2.7
+CA-C-O LYS 120.1 2.1
+N-CA-CB MET 110.6 1.8
+CB-CA-C MET 110.4 2.0
+CA-CB-CG MET 113.3 1.7
+CB-CG-SD MET 112.4 3.0
+CG-SD-CE MET 100.2 1.6
+N-CA-C MET 111.0 2.7
+CA-C-O MET 120.1 2.1
+N-CA-CB PHE 110.6 1.8
+CB-CA-C PHE 110.4 2.0
+CA-CB-CG PHE 113.9 2.4
+CB-CG-CD1 PHE 120.8 0.7
+CB-CG-CD2 PHE 120.8 0.7
+CD1-CG-CD2 PHE 118.3 1.3
+CG-CD1-CE1 PHE 120.8 1.1
+CG-CD2-CE2 PHE 120.8 1.1
+CD1-CE1-CZ PHE 120.1 1.2
+CD2-CE2-CZ PHE 120.1 1.2
CE1-CZ-CE2 PHE 120.0 1.8
-CD1-CG-CD2 PHE 118.6 1.5
-N-CA-C GLY 112.5 2.9
-CA-C-O GLY 120.8 2.1
-N-CA-C HIS 111.2 2.8
-CA-C-O HIS 120.8 1.7
-N-CA-CB HIS 110.5 1.7
-C-CA-CB HIS 110.1 1.9
-CA-CB-CG HIS 113.8 1.0
-CB-CG-ND1 HIS 122.7 1.5
-CG-ND1-CE1 HIS 109.3 1.7
-ND1-CE1-NE2 HIS 108.4 1.0
-CE1-NE2-CD2 HIS 109.0 1.0
-NE2-CD2-CG HIS 107.2 1.0
-CD2-CG-ND1 HIS 106.1 1.0
-CB-CG-CD2 HIS 131.2 1.3
-N-CA-C ILE 111.2 2.8
-CA-C-O ILE 120.8 1.7
-N-CA-CB ILE 111.5 1.7
-C-CA-CB ILE 109.1 2.2
-CA-CB-CG2 ILE 110.5 1.7
-CA-CB-CG1 ILE 110.4 1.7
-CG2-CB-CG1 ILE 110.7 3.0
-CB-CG1-CD1 ILE 113.8 2.1
-N-CA-C LYS 111.2 2.8
-CA-C-O LYS 120.8 1.7
-N-CA-CB LYS 110.5 1.7
-C-CA-CB LYS 110.1 1.9
-CA-CB-CG LYS 114.1 2.0
-CB-CG-CD LYS 111.3 2.3
-CG-CD-CE LYS 111.3 2.3
-CD-CE-NZ LYS 111.9 3.2
-N-CA-C LEU 111.2 2.8
-CA-C-O LEU 120.8 1.7
-N-CA-CB LEU 110.5 1.7
-C-CA-CB LEU 110.1 1.9
-CA-CB-CG LEU 116.3 3.5
-CB-CG-CD1 LEU 110.7 3.0
-CB-CG-CD2 LEU 110.7 3.0
-CD1-CG-CD2 LEU 110.8 2.2
-N-CA-C MET 111.2 2.8
-CA-C-O MET 120.8 1.7
-N-CA-CB MET 110.5 1.7
-C-CA-CB MET 110.1 1.9
-CA-CB-CG MET 114.1 2.0
-CB-CG-SD MET 112.7 3.0
-CG-SD-CE MET 100.9 2.2
-N-CA-C ASN 111.2 2.8
-CA-C-O ASN 120.8 1.7
-N-CA-CB ASN 110.5 1.7
-C-CA-CB ASN 110.1 1.9
-CA-CB-CG ASN 112.6 1.0
-CB-CG-ND2 ASN 116.4 1.5
-CB-CG-OD1 ASN 120.8 2.0
-ND2-CG-OD1 ASN 122.6 1.0
-N-CA-C PRO 111.8 2.5
-CA-C-O PRO 120.8 1.7
-N-CA-CB PRO 103.0 1.1
-C-CA-CB PRO 110.1 1.9
-CA-CB-CG PRO 104.5 1.9
-CB-CG-CD PRO 106.1 3.2
+N-CA-C PHE 111.0 2.7
+CA-C-O PHE 120.1 2.1
+N-CA-CB PRO 103.3 1.2
+CB-CA-C PRO 111.7 2.1
+CA-CB-CG PRO 104.8 1.9
+CB-CG-CD PRO 106.5 3.9
CG-CD-N PRO 103.2 1.5
-CD-N-CA PRO 112.0 1.4
-N-CA-C GLN 111.2 2.8
-CA-C-O GLN 120.8 1.7
-N-CA-CB GLN 110.5 1.7
-C-CA-CB GLN 110.1 1.9
-CA-CB-CG GLN 114.1 2.0
-CB-CG-CD GLN 112.6 1.7
-CG-CD-NE2 GLN 116.4 1.5
-CG-CD-OE1 GLN 120.8 2.0
-NE2-CD-OE1 GLN 122.6 1.0
-N-CA-C ARG 111.2 2.8
-CA-C-O ARG 120.8 1.7
-N-CA-CB ARG 110.5 1.7
-C-CA-CB ARG 110.1 1.9
-CA-CB-CG ARG 114.1 2.0
-CB-CG-CD ARG 111.3 2.3
-CG-CD-NE ARG 112.0 2.2
-CD-NE-CZ ARG 124.2 1.5
-NE-CZ-NH1 ARG 120.0 1.9
-NE-CZ-NH2 ARG 120.0 1.9
-NH1-CZ-NH2 ARG 119.7 1.8
-N-CA-C SER 111.2 2.8
-CA-C-O SER 120.8 1.7
-N-CA-CB SER 110.5 1.7
-C-CA-CB SER 110.1 1.9
-CA-CB-OG SER 111.1 2.0
-N-CA-C THR 111.2 2.8
-CA-C-O THR 120.8 1.7
-N-CA-CB THR 111.5 1.7
-C-CA-CB THR 109.1 2.2
-CA-CB-CG2 THR 110.5 1.7
-CA-CB-OG1 THR 109.6 1.5
-CG2-CB-OG1 THR 109.3 2.0
-N-CA-C VAL 111.2 2.8
-CA-C-O VAL 120.8 1.7
-N-CA-CB VAL 111.5 1.7
-C-CA-CB VAL 109.1 2.2
-CA-CB-CG1 VAL 110.5 1.7
-CA-CB-CG2 VAL 110.5 1.7
-CG1-CB-CG2 VAL 110.8 2.2
-N-CA-C TRP 111.2 2.8
-CA-C-O TRP 120.8 1.7
-N-CA-CB TRP 110.5 1.7
-C-CA-CB TRP 110.1 1.9
-CA-CB-CG TRP 113.6 1.9
-CB-CG-CD1 TRP 126.9 1.5
-CB-CG-CD2 TRP 126.8 1.4
-CD1-CG-CD2 TRP 106.3 1.6
-CG-CD1-NE1 TRP 110.2 1.3
-CD1-NE1-CE2 TRP 108.9 1.8
-NE1-CE2-CZ2 TRP 130.1 1.5
-NE1-CE2-CD2 TRP 107.4 1.3
-CZ2-CE2-CD2 TRP 122.4 1.0
-CE2-CZ2-CH2 TRP 117.5 1.3
-CZ2-CH2-CZ3 TRP 121.5 1.3
-CH2-CZ3-CE3 TRP 121.1 1.3
-CZ3-CE3-CD2 TRP 118.6 1.3
-CE3-CD2-CG TRP 133.9 1.0
-CE3-CD2-CE2 TRP 118.8 1.0
-CG-CD2-CE2 TRP 107.2 1.2
-N-CA-C TYR 111.2 2.8
-CA-C-O TYR 120.8 1.7
-N-CA-CB TYR 110.5 1.7
-C-CA-CB TYR 110.1 1.9
-CA-CB-CG TYR 113.9 1.8
-CB-CG-CD1 TYR 120.8 1.5
-CB-CG-CD2 TYR 120.8 1.5
-CG-CD1-CE1 TYR 121.2 1.5
-CG-CD2-CE2 TYR 121.2 1.5
-CD1-CE1-CZ TYR 119.6 1.8
-CD2-CE2-CZ TYR 119.6 1.8
-CE1-CZ-CE2 TYR 120.3 2.0
-CD1-CG-CD2 TYR 118.1 1.5
-CE1-CZ-OH TYR 119.9 3.0
-CE2-CZ-OH TYR 119.9 3.0
+CA-N-CD PRO 111.7 1.4
+N-CA-C PRO 112.1 2.6
+CA-C-O PRO 120.2 2.4
+N-CA-CB SER 110.5 1.5
+CB-CA-C SER 110.1 1.9
+CA-CB-OG SER 111.2 2.7
+N-CA-C SER 111.0 2.7
+CA-C-O SER 120.1 2.1
+N-CA-CB THR 110.3 1.9
+CB-CA-C THR 111.6 2.7
+CA-CB-OG1 THR 109.0 2.1
+CA-CB-CG2 THR 112.4 1.4
+OG1-CB-CG2 THR 110.0 2.3
+N-CA-C THR 111.0 2.7
+CA-C-O THR 120.1 2.1
+N-CA-CB TRP 110.6 1.8
+CB-CA-C TRP 110.4 2.0
+CA-CB-CG TRP 113.7 1.9
+CB-CG-CD1 TRP 127.0 1.3
+CB-CG-CD2 TRP 126.6 1.3
+CD1-CG-CD2 TRP 106.3 0.8
+CG-CD1-NE1 TRP 110.1 1.0
+CD1-NE1-CE2 TRP 109.0 0.9
+NE1-CE2-CD2 TRP 107.3 1.0
+CE2-CD2-CG TRP 107.3 0.8
+CG-CD2-CE3 TRP 133.9 0.9
+NE1-CE2-CZ2 TRP 130.4 1.1
+CE3-CD2-CE2 TRP 118.7 1.2
+CD2-CE2-CZ2 TRP 122.3 1.2
+CE2-CZ2-CH2 TRP 117.4 1.0
+CZ2-CH2-CZ3 TRP 121.6 1.2
+CH2-CZ3-CE3 TRP 121.2 1.1
+CZ3-CE3-CD2 TRP 118.8 1.3
+N-CA-C TRP 111.0 2.7
+CA-C-O TRP 120.1 2.1
+N-CA-CB TYR 110.6 1.8
+CB-CA-C TYR 110.4 2.0
+CA-CB-CG TYR 113.4 1.9
+CB-CG-CD1 TYR 121.0 0.6
+CB-CG-CD2 TYR 121.0 0.6
+CD1-CG-CD2 TYR 117.9 1.1
+CG-CD1-CE1 TYR 121.3 0.8
+CG-CD2-CE2 TYR 121.3 0.8
+CD1-CE1-CZ TYR 119.8 0.9
+CD2-CE2-CZ TYR 119.8 0.9
+CE1-CZ-CE2 TYR 119.8 1.6
+CE1-CZ-OH TYR 120.1 2.7
+CE2-CZ-OH TYR 120.1 2.7
+N-CA-C TYR 111.0 2.7
+CA-C-O TYR 120.1 2.1
+N-CA-CB VAL 111.5 2.2
+CB-CA-C VAL 111.4 1.9
+CA-CB-CG1 VAL 110.9 1.5
+CA-CB-CG2 VAL 110.9 1.5
+CG1-CB-CG2 VAL 110.9 1.6
+N-CA-C VAL 111.0 2.7
+CA-C-O VAL 120.1 2.1
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-Non-bonded distance Minimum Dist Tolerance
-C-C 2.10 0.5
-C-N 2.10 0.5
-C-S 2.45 0.5
-C-O 2.25 0.5
-N-N 2.05 0.5
-N-S 2.55 0.5
-N-O 2.10 0.5
-O-S 2.45 0.5
-O-O 2.05 0.5
-S-S 1.80 0.5
+Non-bonded distance Minimum Dist Tolerance
+C-C 3.4 1.5
+C-N 3.25 1.5
+C-S 3.5 1.5
+C-O 3.22 1.5
+N-N 3.1 1.5
+N-S 3.35 1.5
+N-O 3.07 1.5
+O-S 3.32 1.5
+O-O 3.04 1.5
+S-S 2.03 1.0
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