*HEADER   METAL-BINDING PROTEIN                   06-MAY-96   1ZFO    
*TITLE    AMINO-TERMINAL LIM-DOMAIN PEPTIDE OF LASP-1, NMR            
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: LASP-1;                                          
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: ZF-1 AMINO-TERMINAL LIM-DOMAIN PEPTIDE;          
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 OTHER_DETAILS: IDENTICAL TO 30 N-TERMINAL RESIDUES OF HUMAN
*COMPND  7 LASP-1                                                     
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: SUS SCROFA;                           
*SOURCE  4 ORGANISM_COMMON: PIG;                                      
*SOURCE  5 ORGAN: INTESTINE                                           
*KEYWDS   LIM DOMAIN, ZINC-FINGER, METAL-BINDING PROTEIN              
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   A.HAMMARSTROM,K.D.BERNDT,R.SILLARD,K.ADERMANN,G.OTTING      
*REVDAT  1   08-NOV-96 1ZFO    0                                      

REMARK   1                                                                    12
REMARK   1 THIS FILE CONTAINS THE CHEMICAL SHIFTS, COUPLING CONSTANTS,        13
REMARK   1 DISTANCE AND DIHEDRAL ANGLE CONSTRAINTS USED IN THE                14
REMARK   1 DETERMINATION OF THE NMR STRUCTURE OF THE ZF-1-ZINC-COMPLEX.       15
REMARK   1 THE DATA WERE RECORDED AT PH 5.5 AND 25 DEGREES C.                 16
REMARK   1                                                                    17
REMARK   1 RECORD CONTENT                                     UNIT            18
REMARK   1 ------ ------------------------------------------- ---------       19
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM             20
REMARK   1 JCOUPL VICINAL SCALAR COUPLING CONSTANTS           HERTZ           21
REMARK   1        DETERMINED FOR 1H-1H COUPLINGS                              22
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS       23
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS                  24
REMARK   1 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS       25
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS                  26
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES         27
REMARK   1        AN ALLOWED INTERVAL                                         28
REMARK   2                                                                    29
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE           30
REMARK   2 MASTER RECORD:                                                     31
REMARK   2                                                                    32
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                                   33
REMARK   2 ------ -----------------------------------------------------       34
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL           35
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,          36
REMARK   2        CHEMICAL SHIFT(S)                                           37
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,1X,F6.2,3X),A4,1X,F6.2)          38
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM         39
REMARK   2        NAME, J-COUPLING CONSTANT, UNCERTAINTY OF J-COUPLING        40
REMARK   2        CONSTANT, FIRST AND SECOND ATOM NAME, J-COUPLING            41
REMARK   2        CONSTANT, UNCERTAINTY OF J-COUPLING CONSTANT                42
REMARK   2        ('JCOUPL',2X,A4,I4,2X,2(A4,1X,A4,2F6.2,3X))                 43
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM        44
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           45
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM          46
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           47
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                      48
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))         49
REMARK   2 NOELOW FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM        50
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           51
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM          52
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           53
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                      54
REMARK   2        ('NOELOW',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))         55
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND         56
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND              57
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                        58
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,         59
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,         60
REMARK   2        NUMBER OF NOEUPP RECORDS, NUMBER OF NOELOW RECORDS,         61
REMARK   2        NUMBER OF ANGLE RECORDS                                     62
REMARK   2        ('MASTER',4X,8I5)                                           63
REMARK   3                                                                    64
REMARK   3 RECORDS NOEUPP AND NOELOW ALSO CONTAIN THE DISTANCE                65
REMARK   3 CONSTRAINTS USED TO DEFINE THE COORDINATION GEOMETRY               66
REMARK   3 AROUND THE ZINC ATOM. IN THE STRUCTURE CALCULATIONS, THE           67
REMARK   3 ZINC ATOM WAS COVALENTLY BOUND TO CYS 5 BY DEFINING A NEW          68
REMARK   3 RESIDUE-TYPE FOR CYS 5 WITH A SG-ZN DISTANCE OF 2.30               69
REMARK   3 ANGSTROM AND A CB-SG-ZN ANGLE OF 96 DEGREES. THEREFORE,            70
REMARK   3 NO CONSTRAINTS APPEAR BETWEEN RESIDUE 5 AND THE ZN ATOM.           71
REMARK   4                                                                    72
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE           73
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                      74
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)          75
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL           76
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR           77
REMARK   4 WHICH NO INDIVIDUAL ASSIGNMENTS HAD BEEN OBTAINED.                 78
REMARK   5                                                                    79
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE               80
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN               81
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...               82
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF          83
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS        84
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE            85
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED. QQG AND QQD DENOTE THE PSEUDO-       86
REMARK   5 ATOMS FOR THE 6 HYDROGEN ATOMS OF THE ISOPROPYL METHYL             87
REMARK   5 GROUPS OF VAL AND LEU, RESPECTIVELY. QQH DENOTES THE               88
REMARK   5 PSEUDOATOM FOR THE 4 HYDROGEN ATOMS 1HH1, 2HH1, 1HH2 AND           89
REMARK   5 2HH2 OF ARG.                                                       90
REMARK   5 THE DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS OF           91
REMARK   5 TYR AND PHE ARE NAMED QD and QZ, RESPECTIVELY, IF THEY ARE         92
REMARK   5 PAIRWISE DEGENERATE, E.G. BECAUSE OF RING ROTATION.                93
REMARK   5 THE METHYL GROUP OF THE AMINO TERMINAL ACETYL GROUP IS NAMED       94
REMARK   5 QM.                                                                95
REMARK   5                                                                    96
SHIFTS  ACE    0   QM    2.00                                                 97
SHIFTS  MET    1   HN    8.28    HA    4.33   2HB    1.97   3HB    1.90       98
SHIFTS  MET    1  2HG    2.49   3HG    2.53    QE    1.00                     99
SHIFTS  ASN    2   HN    8.21    HA    4.99   2HB    2.36   3HB    2.50      100
SHIFTS  ASN    2  1HD2   7.59   2HD2   7.30                                  101
SHIFTS  PRO    3   HA    4.38   2HB    1.76   3HB    1.64   2HG    1.13      102
SHIFTS  PRO    3  3HG    0.93   2HD    3.71   3HD    3.39                    103
SHIFTS  ASN    4   HN    8.17    HA    4.67   2HB    2.40   3HB    2.14      104
SHIFTS  ASN    4  1HD2   7.31   2HD2   6.73                                  105
SHIFTS  CYS    5   HN    8.44    HA    3.00   2HB    2.42   3HB    3.41      106
SHIFTS  ALA    6   HN    8.85    HA    3.93    QB    0.38                    107
SHIFTS  ARG    7   HN    9.16    HA    4.72   2HB    2.38   3HB    2.35      108
SHIFTS  ARG    7   QG    1.85   2HD    3.53   3HD    3.49    HE    7.57      109
SHIFTS  CYS    8   HN    8.29    HA    4.99   2HB    3.40   3HB    2.00      110
SHIFTS  GLY    9   HN    7.00   1HA    3.87   2HA    4.24                    111
SHIFTS  LYS   10   HN    8.33    HA    4.66   2HB    1.00   3HB    2.18      112
SHIFTS  LYS   10  2HG    1.63   3HG    1.56    QD    1.75    QE    2.00      113
SHIFTS  ILE   11   HN    8.31    HA    3.91    HB    1.56    QG2   0.34      114
SHIFTS  ILE   11  2HG1   1.39   3HG1   0.85    QD1   0.78                    115
SHIFTS  VAL   12   HN    8.38    HA    3.00    HB    1.47    QG1  -0.11      116
SHIFTS  VAL   12   QG2   0.70                                                117
SHIFTS  TYR   13   HN    9.24    HA    4.51   2HB    2.81   3HB    3.38      118
SHIFTS  TYR   13   QD    7.28    QE    6.83                                  119
SHIFTS  PRO   14   HA    4.14   2HB    2.51   3HB    1.00   2HG    2.29      120
SHIFTS  PRO   14  3HG    2.15    QD    3.00                                  121
SHIFTS  THR   15   HN    7.86    HA    4.26    HB    4.47    QG2   1.35      122
SHIFTS  GLU   16   HN    7.75    HA    4.73   2HB    2.64   3HB    2.44      123
SHIFTS  GLU   16   QG    2.51                                                124
SHIFTS  LYS   17   HN    6.00    HA    4.39    QB    1.00   2HG    1.64      125
SHIFTS  LYS   17  3HG    1.47    QD    1.33    QE    2.83                    126
SHIFTS  VAL   18   HN    9.10    HA    4.37    HB    1.92    QG1   0.53      127
SHIFTS  VAL   18   QG2   0.82                                                128
SHIFTS  ASN   19   HN    8.76    HA    5.43   2HB    2.74   3HB    2.59      129
SHIFTS  ASN   19  1HD2   6.74   2HD2   6.51                                  130
SHIFTS  CYS   20   HN    8.48    HA    4.52   2HB    2.63   3HB    2.57      131
SHIFTS  LEU   21   HN    9.50    HA    3.00    QB    2.23    HG    1.74      132
SHIFTS  LEU   21   QD1   0.00    QD2   0.97                                  133
SHIFTS  ASP   22   HN    8.76    HA    4.28    QB    2.86                    134
SHIFTS  LYS   23   HN    7.63    HA    4.30   2HB    1.59   3HB    1.18      135
SHIFTS  LYS   23  2HG    1.41   3HG    1.28    QD    1.58    QE    2.00      136
SHIFTS  PHE   24   HN    8.22    HA    5.53    QB    2.59    QD    7.12      137
SHIFTS  PHE   24   QE    7.34    HZ    7.33                                  138
SHIFTS  TRP   25   HN    8.98    HA    5.85   2HB    2.79   3HB    3.58      139
SHIFTS  TRP   25   HD1   6.00    HE3   7.49    HE1  10.17    HZ3   6.98      140
SHIFTS  TRP   25   HZ2   7.38    HH2   7.21                                  141
SHIFTS  HIS   26   HN    8.45    HA    4.98    QB    3.80    HD2   7.63      142
SHIFTS  HIS   26   HE1   7.32    HE2  11.89                                  143
SHIFTS  LYS   27   HN    9.25    HA    3.00   2HB    1.99   3HB    1.90      144
SHIFTS  LYS   27   QG    1.46    QD    1.76    QE    2.00                    145
SHIFTS  ALA   28   HN    8.98    HA    4.38    QB    1.56                    146
SHIFTS  CYS   29   HN    7.91    HA    4.44    QB    3.46                    147
SHIFTS  PHE   30   HN    7.32    HA    3.66   2HB    2.54   3HB    2.81      148
SHIFTS  PHE   30   QD    6.24    QE    6.71    HZ    6.96                    149
JCOUPL  ASN    2   HN   HA   8.90  1.00                                      150
JCOUPL  ASN    2   HA  3HB   3.50  2.00    HA  2HB  11.50  2.00              151
JCOUPL  PRO    3   HA  2HB  11.50  2.00    HA  3HB   3.50  2.00              152
JCOUPL  ASN    4   HN   HA   8.70  1.00                                      153
JCOUPL  ASN    4   HA  2HB  11.50  2.00    HA  3HB   3.50  2.00              154
JCOUPL  CYS    5   HN   HA   4.10  1.00                                      155
JCOUPL  CYS    5   HA  3HB  11.50  2.00    HA  2HB   3.50  2.00              156
JCOUPL  ALA    6   HN   HA   3.80  1.00                                      157
JCOUPL  ARG    7   HN   HA   9.70  1.00                                      158
JCOUPL  CYS    8   HN   HA   8.00  1.00                                      159
JCOUPL  LYS   10   HN   HA   9.10  1.00                                      160
JCOUPL  LYS   10   HA  3HB   3.50  2.00    HA  2HB  11.50  2.00              161
JCOUPL  ILE   11   HN   HA   2.80  1.00                                      162
JCOUPL  VAL   12   HN   HA  10.00  1.00                                      163
JCOUPL  TYR   13   HA  3HB   3.50  2.00    HA  2HB  11.50  2.00              164
JCOUPL  THR   15   HN   HA   4.70  1.00                                      165
JCOUPL  GLU   16   HN   HA   9.70  1.00                                      166
JCOUPL  GLU   16   HA  2HB  11.50  2.00    HA  3HB   3.50  2.00              167
JCOUPL  VAL   18   HN   HA   9.30  1.00                                      168
JCOUPL  ASN   19   HN   HA   9.60  1.00                                      169
JCOUPL  ASP   22   HN   HA   8.30  1.00                                      170
JCOUPL  LYS   23   HN   HA   9.30  1.00                                      171
JCOUPL  PHE   24   HN   HA  10.50  1.00                                      172
JCOUPL  TRP   25   HN   HA   9.90  1.00                                      173
JCOUPL  LYS   27   HN   HA   2.70  1.00                                      174
JCOUPL  ALA   28   HN   HA   3.70  1.00                                      175
JCOUPL  CYS   29   HN   HA   9.30  1.00                                      176
JCOUPL  PHE   30   HA  3HB  11.50  2.00    HA  2HB   3.50  2.00              177
NOEUPP  MET    1  HN  MET    1  QB   3.70      HN  MET    1  QG   4.50       178
NOEUPP  MET    1  HA  ASN    2  HN   2.70                                    179
NOEUPP  ASN    2  HN  ASN    2 2HB   3.10      HA  ASN    2 3HB   2.90       180
NOEUPP  ASN    2  HA  PRO    3  HD2  3.20      HA  PRO    3 3HD   3.20       181
NOEUPP  ASN    2 2HB  ASN    2 1HD2  2.70     2HB  ILE   11  QG2  5.20       182
NOEUPP  ASN    2 2HB  ILE   11  QD1  5.50     3HB  ILE   11  QG2  5.20       183
NOEUPP  ASN    2 1HD2 TYR   13  CZ   6.60                                    184
NOEUPP  PRO    3  HA  ASN    4  HN   2.50      QB  ASN    4  HN   3.96       185
NOEUPP  PRO    3  QG  PHE   24  CG   7.48                                    186
NOEUPP  ASN    4  HN  ASN    4 2HB   3.00      HA  ASN    4 3HB   2.50       187
NOEUPP  ASN    4  HA  ASN    4 1HD2  4.00      HA  CYS    5  HN   2.60       188
NOEUPP  ASN    4  HA  ILE   11  HA   2.30      HA  VAL   12  QG2  5.50       189
NOEUPP  ASN    4 3HB  CYS    5  HN   3.80                                    190
NOEUPP  CYS    5  HN  CYS    5 2HB   3.10      HN  CYS    5 3HB   3.10       191
NOEUPP  CYS    5  HN  VAL   12  QG2  5.20      HA  CYS    5 2HB   2.60       192
NOEUPP  CYS    5  HA  ALA    6  HN   2.60      HA  TRP   25  HA   3.10       193
NOEUPP  CYS    5 2HB  VAL   12  QG2  4.20     3HB  GLY    9  HN   2.90       194
NOEUPP  CYS    5 3HB  LYS   10  HN   4.10     3HB  HIS   26  HE1  4.50       195
NOEUPP  ALA    6  HN  ARG    7  HN   4.30      QB  TRP   25  HE3  5.50       196
NOEUPP  ALA    6  QB  TRP   25  HZ2  5.50      QB  TRP   25  HH2  5.50       197
NOEUPP  ALA    6  QB  TRP   25  HZ3  5.50                                    198
NOEUPP  ARG    7  HN  ARG    7 2HB   3.80      HN  ARG    7 3HB   3.80       199
NOEUPP  ARG    7  HN  CYS    8  HN   3.20     3HB  CYS    8  HN   4.00       200
NOEUPP  ARG    7  QB  CYS    8  HN   3.80                                    201
NOEUPP  CYS    8  HN  CYS    8 2HB   3.80      HN  CYS    8 3HB   3.40       202
NOEUPP  CYS    8  HN  GLY    9  HN   3.20      HA  CYS    8 2HB   2.40       203
NOEUPP  CYS    8  HA  CYS    8 3HB   2.80      SG  CYS   29  SG   3.93       204
NOEUPP  GLY    9  HN  GLY    9 1HA   2.50      HN  LYS   10  HN   3.60       205
NOEUPP  LYS   10  HN  LYS   10  HA   2.90      HN  LYS   10 2HB   2.70       206
NOEUPP  LYS   10  HN  LYS   10 2HG   3.20      HN  LYS   10 3HG   3.20       207
NOEUPP  LYS   10  HN  LYS   10  QG   2.98      HN  LYS   10  QD   5.20       208
NOEUPP  LYS   10  HN  HIS   26  HE1  4.50      HA  LYS   10 3HB   2.60       209
NOEUPP  LYS   10  HA  LYS   10  QG   3.58      HA  LYS   10  QD   4.50       210
NOEUPP  LYS   10  HA  ILE   11  HN   2.60     3HB  ILE   11  HN   3.00       211
NOEUPP  ILE   11  HN  ILE   11  HB   2.60      HN  ILE   11  QD1  5.50       212
NOEUPP  ILE   11  HA  ILE   11  HB   3.00      HA  ILE   11 2HG1  3.10       213
NOEUPP  ILE   11  HA  ILE   11 3HG1  3.10      HA  VAL   12  HN   2.30       214
NOEUPP  ILE   11  HB  TYR   13  CZ   6.40      QG2 VAL   12  HN   5.20       215
NOEUPP  ILE   11  QG2 TYR   13  CG   7.60      QG2 TYR   13  CZ   6.60       216
NOEUPP  ILE   11  QD1 TYR   13  CZ   7.60                                    217
NOEUPP  VAL   12  HN  VAL   12  HB   2.70      HA  TYR   13  HN   2.80       218
NOEUPP  VAL   12  QG1 TYR   13  HN   5.50      QG1 GLU   16 3HB   5.50       219
NOEUPP  VAL   12  QG1 LYS   17  HA   3.80      QG1 LYS   17  QG   6.38       220
NOEUPP  VAL   12  QG1 LYS   17  QD   6.50      QG1 HIS   26  HD2  5.50       221
NOEUPP  VAL   12  QG2 HIS   26  HD2  5.50      QG2 HIS   26  HE2  5.50       222
NOEUPP  TYR   13  HN  TYR   13 2HB   2.70      HN  GLU   16 3HB   3.60       223
NOEUPP  TYR   13  HA  TYR   13 3HB   2.80     3HB  PRO   14  QD   4.30       224
NOEUPP  TYR   13  CG  PRO   14  QD   7.60                                    225
NOEUPP  PRO   14  HA  LYS   17  HN   4.30      HA  LYS   17  QE   5.10       226
NOEUPP  PRO   14  QB  THR   15  HN   4.00      QD  THR   15  HN   5.50       227
NOEUPP  THR   15  HN  THR   15  HB   3.50      HN  GLU   16  HN   3.30       228
NOEUPP  THR   15  HB  GLU   16  HN   4.00                                    229
NOEUPP  GLU   16  HN  GLU   16 3HB   2.80      HN  GLU   16  QG   4.70       230
NOEUPP  GLU   16  HN  LYS   17  HN   2.80      HA  GLU   16 2HB   2.60       231
NOEUPP  GLU   16 2HB  HIS   26  HD2  4.10     2HB  LYS   27  HN   4.50       232
NOEUPP  GLU   16 3HB  HIS   26  HD2  4.20      QG  HIS   26  HD2  5.50       233
NOEUPP  LYS   17  HN  LYS   17  QB   3.90      HN  LYS   17 2HG   4.30       234
NOEUPP  LYS   17  HN  LYS   17 3HG   4.30      HN  LYS   17  QG   3.73       235
NOEUPP  LYS   17  HA  VAL   18  HN   2.60      QB  LYS   17  QE   5.80       236
NOEUPP  VAL   18  HN  VAL   18  HA   2.70      HN  VAL   18  HB   3.80       237
NOEUPP  VAL   18  HA  ASN   19  HN   2.50      HB  TRP   25  HD1  4.50       238
NOEUPP  VAL   18  QG1 TRP   25  HD1  5.50      QG1 PHE   30  CG   7.60       239
NOEUPP  VAL   18  QG2 TRP   25  HD1  5.50      QG2 PHE   30  CG   7.60       240
NOEUPP  VAL   18  QQG ASN   19  HN   7.06      QQG TRP   25  HE3  7.06       241
NOEUPP  VAL   18  QQG LYS   27  HA   5.86      QQG PHE   30  CZ   9.16       242
NOEUPP  ASN   19  HN  ASN   19 2HB   3.60      HN  ASN   19 3HB   3.60       243
NOEUPP  ASN   19  HN  ASN   19  QB   3.39      HA  ASN   19 1HD2  3.60       244
NOEUPP  ASN   19  HA  CYS   20  HN   2.70      HA  PHE   24  CG   6.60       245
NOEUPP  ASN   19  HA  TRP   25  HD1  4.50                                    246
NOEUPP  CYS   20  HN  LYS   23  HN   3.90      HN  TRP   25  HD1  4.50       247
NOEUPP  CYS   20  HN  TRP   25  HE1  4.50      HA  LEU   21  HN   2.90       248
NOEUPP  LEU   21  HN  LEU   21  HA   2.90      HN  LEU   21  HG   4.50       249
NOEUPP  LEU   21  HN  LEU   21  QQD  7.07      HN  ASP   22  HN   4.00       250
NOEUPP  LEU   21  HA  LEU   21  HG   3.30      HA  ASP   22  HN   3.60       251
NOEUPP  LEU   21  QB  ASP   22  HN   4.60      QQD TRP   25  HZ2  7.07       252
NOEUPP  LEU   21  QQD PHE   30  HZ   7.07                                    253
NOEUPP  ASP   22  HN  ASP   22  HA   2.90      HN  LYS   23  HN   3.30       254
NOEUPP  LYS   23  HN  LYS   23 2HG   4.50      HN  LYS   23 3HG   4.50       255
NOEUPP  LYS   23  HA  LYS   23 3HB   2.90      HA  PHE   24  HN   2.80       256
NOEUPP  LYS   23  HA  PHE   24  CG   6.60     3HB  PHE   24  HN   3.10       257
NOEUPP  PHE   24  HA  TRP   25  HN   2.80      HA  TRP   25  HD1  4.50       258
NOEUPP  TRP   25  HN  TRP   25 2HB   3.80      HN  TRP   25  HD1  3.50       259
NOEUPP  TRP   25  HA  TRP   25  HE3  4.20      HA  HIS   26  HN   2.80       260
NOEUPP  TRP   25 2HB  TRP   25  HD1  3.60     3HB  TRP   25  HD1  3.80       261
NOEUPP  TRP   25 3HB  TRP   25  HE3  3.20     3HB  HIS   26  HN   3.40       262
NOEUPP  TRP   25  HD1 PHE   30  HA   4.50                                    263
NOEUPP  HIS   26  HN  CYS   29  QB   4.90      HA  HIS   26  HD2  3.20       264
NOEUPP  HIS   26  HA  LYS   27  HN   2.50      QB  ALA   28  HN   4.90       265
NOEUPP  HIS   26  QB  CYS   29  HN   4.70                                    266
NOEUPP  LYS   27  HN  LYS   27  HA   2.70      HN  LYS   27 2HB   3.40       267
NOEUPP  LYS   27  HN  LYS   27 3HB   3.40      HN  LYS   27  QB   3.04       268
NOEUPP  LYS   27  HN  LYS   27  QG   4.40      HN  ALA   28  HN   3.90       269
NOEUPP  LYS   27  HA  LYS   27  QD   5.50     2HB  ALA   28  HN   3.60       270
NOEUPP  LYS   27 3HB  ALA   28  HN   3.60                                    271
NOEUPP  ALA   28  HN  CYS   29  HN   3.50                                    272
NOEUPP  CYS   29  HN  PHE   30  HN   2.80                                    273
NOEUPP  PHE   30  HN  PHE   30 2HB   3.20      HN  PHE   30 3HB   3.00       274
NOEUPP  CYS    5  SG  CYS   29  SG   3.93      SG  CYS    8  SG   3.93       275
NOEUPP  HET   31  ZN  CYS    8  SG   2.35      ZN  CYS    8  CB   3.19       276
NOEUPP  HET   31  ZN  HIS   26  ND1  2.05      ZN  HIS   26  CG   3.13       277
NOEUPP  HET   31  ZN  HIS   26  CE1  3.08      ZN  CYS   29  SG   2.35       278
NOEUPP  HET   31  ZN  CYS   29  CB   3.19                                    279
NOELOW  MET    1 2HB  ASN    2  HN   3.00     3HB  ASN    2  HN   3.00       280
NOELOW  MET    1 2HG  ASN    2  HN   3.00     3HG  ASN    2  HN   3.00       281
NOELOW  ASN    2  HN  ILE   11  QD1  3.00     3HB  PRO    3  QD   2.12       282
NOELOW  ASN    2 3HB  ILE   11  QG1  2.12     3HB  VAL   12  HN   3.00       283
NOELOW  ASN    2 1HD2 TYR   13  HA   3.00                                    284
NOELOW  PRO    3 2HB  PHE   24  HE1  3.00     2HB  PHE   24  HZ   3.00       285
NOELOW  PRO    3 2HB  PHE   24  HE2  3.00     3HB  PHE   24  HE1  3.00       286
NOELOW  PRO    3 3HB  PHE   24  HZ   3.00     3HB  PHE   24  HE2  3.00       287
NOELOW  PRO    3  QB  PHE   24  QB   2.12      QB  PHE   24  HD1  2.12       288
NOELOW  PRO    3  QB  PHE   24  HD2  2.12     2HG  PHE   24  HZ   3.00       289
NOELOW  PRO    3 2HG  PHE   24  HE2  3.00     3HG  PHE   24  HZ   3.00       290
NOELOW  PRO    3 3HG  PHE   24  HE2  3.00      QG  VAL   12  QG1  2.12       291
NOELOW  PRO    3  QG  PHE   24  HD1  2.12      QG  PHE   24  HE1  2.12       292
NOELOW  PRO    3  QG  PHE   24  HD2  2.12      QD  VAL   12  QG1  2.12       293
NOELOW  ASN    4  HN  ASN    4 1HD2  3.00      HN  LYS   23  QE   3.00       294
NOELOW  ASN    4  HN  PHE   24  HD1  3.00      HN  PHE   24  HE2  3.00       295
NOELOW  ASN    4  HA  VAL   12  HN   3.00     2HB  GLY    9 1HA   3.00       296
NOELOW  ASN    4 3HB  ASN    4 1HD2  3.00     3HB  GLY    9 2HA   3.00       297
NOELOW  ASN    4 1HD2 ILE   11  HA   3.00     1HD2 ILE   11 2HG1  3.00       298
NOELOW  ASN    4 1HD2 ILE   11 3HG1  3.00     2HD2 ILE   11  QG1  2.12       299
NOELOW  CYS    5  HN  GLY    9 1HA   3.00      HN  LYS   10  HN   3.00       300
NOELOW  CYS    5  HN  VAL   12  QG2  3.00      HA  PHE   24  HN   3.00       301
NOELOW  CYS    5  HA  PHE   24  QB   3.00     2HB  LYS   10  HN   3.00       302
NOELOW  CYS    5 2HB  LYS   10 2HB   3.00     2HB  TRP   25  HA   3.00       303
NOELOW  CYS    5 2HB  HIS   26  HE2  3.00     3HB  ARG    7  HN   3.00       304
NOELOW  ALA    6  HN  LYS   23 3HB   3.00      HN  TRP   25  HE3  3.00       305
NOELOW  ALA    6  HN  TRP   25  HZ3  3.00      QB  LYS   23 3HB   3.00       306
NOELOW  ALA    6  QB  LYS   23  QG   2.12      QB  LYS   23  QE   3.00       307
NOELOW  ARG    7  HN  GLY    9  HN   3.00      QG  TRP   25  HZ3  3.00       308
NOELOW  ARG    7 2HD  TRP   25  HE3  3.00     2HD  TRP   25  HZ3  3.00       309
NOELOW  ARG    7 3HD  TRP   25  HE3  3.00     3HD  TRP   25  HZ3  3.00       310
NOELOW  ARG    7  HE  TRP   25  HE3  3.00      HE  TRP   25  HZ3  3.00       311
NOELOW  ARG    7  HE  CYS   29  HA   3.00                                    312
NOELOW  CYS    8 2HB  LYS   10  QG   2.12      SG  CYS   29  SG   3.73       313
NOELOW  GLY    9 1HA  LYS   10  HN   3.00                                    314
NOELOW  VAL   12  HB  PHE   24  QB   3.00      HB  PHE   24  HE2  3.00       315
NOELOW  VAL   12  QG1 TYR   13  HN   3.00      QG1 LYS   17  QB   3.00       316
NOELOW  VAL   12  QG1 LYS   17  QG   2.12      QG1 VAL   18  HN   3.00       317
NOELOW  VAL   12  QG1 PHE   24  HD1  3.00      QG1 PHE   24  HD2  3.00       318
NOELOW  VAL   12  QG2 PHE   24  QB   3.00      QG2 HIS   26  HE2  3.00       319
NOELOW  TYR   13  HN  GLU   16  QG   3.00      HN  HIS   26  HE2  3.00       320
NOELOW  TYR   13 2HB  THR   15  HN   3.00     2HB  GLU   16  HN   3.00       321
NOELOW  TYR   13 3HB  GLU   16  HN   3.00      HD1 GLU   16 2HB   3.00       322
NOELOW  TYR   13  HD1 GLU   16 3HB   3.00      HD2 GLU   16 2HB   3.00       323
NOELOW  PRO   14  HA  LYS   17  QG   2.12      QB  LYS   17  QE   2.12       324
NOELOW  THR   15  QG2 GLU   16  HN   3.00                                    325
NOELOW  GLU   16 2HB  LYS   27  QB   2.12     3HB  LYS   17  HN   3.00       326
NOELOW  GLU   16  QG  VAL   18  QQG  1.44      QG  LYS   27  HN   3.00       327
NOELOW  LYS   17  HA  LYS   17  HN   2.60      QB  PHE   24  HD2  3.00       328
NOELOW  LYS   17  QG  VAL   18  HN   2.12      QG  PHE   24  HE2  2.12       329
NOELOW  LYS   17  QD  ASN   19 1HD2  3.00      QD  ASN   19 2HD2  3.00       330
NOELOW  VAL   18  HN  ASN   19  HN   3.00      HN  PHE   24  HA   3.00       331
NOELOW  VAL   18  HN  PHE   24  HD1  3.00      HN  TRP   25  HN   3.00       332
NOELOW  VAL   18  QG1 TRP   25  HN   3.00      QG2 TRP   25  HN   3.00       333
NOELOW  ASN   19  HN  ASN   19 1HD2  3.00      HN  ASN   19 2HD2  3.00       334
NOELOW  ASN   19  HA  ASN   19 1HD2  3.00      HA  PHE   24  HA   3.00       335
NOELOW  ASN   19  QB  PHE   24  HE1  2.12      QB  PHE   24  HZ   2.12       336
NOELOW  ASN   19 1HD2 PHE   24  HD1  3.00     1HD2 PHE   24  HD2  3.00       337
NOELOW  ASN   19 2HD2 ASP   22  HA   3.00                                    338
NOELOW  CYS   20  HN  PHE   24  HA   3.00      HN  TRP   25  HE1  3.00       339
NOELOW  CYS   20 2HB  PHE   30  HE1  3.00     2HB  PHE   30  HZ   3.00       340
NOELOW  CYS   20 2HB  PHE   30  HE2  3.00     3HB  TRP   25  HD1  3.00       341
NOELOW  CYS   20 3HB  PHE   30  HE1  3.00     3HB  PHE   30  HZ   3.00       342
NOELOW  CYS   20 3HB  PHE   30  HE2  3.00      QB  LEU   21  HN   2.15       343
NOELOW  CYS   20  QB  LEU   21  QQD  1.13      QB  LYS   23  HN   2.12       344
NOELOW  LEU   21  HA  LEU   21  HN   2.50      HN  LEU   21  QQD  1.43       345
NOELOW  LEU   21  HG  ASP   22  QB   3.00      QQD ASP   22  HN   1.43       346
NOELOW  LEU   21  QQD TRP   25  HZ2  1.43                                    347
NOELOW  ASP   22  HN  LYS   23  QD   3.00                                    348
NOELOW  LYS   23  HN  TRP   25  HE1  3.00     2HB  TRP   25  HE1  3.00       349
NOELOW  LYS   23 3HB  LYS   23  QE   3.00                                    350
NOELOW  TRP   25 2HB  HIS   26  HN   3.00     3HB  PHE   30  HN   3.00       351
NOELOW  TRP   25 3HB  PHE   30  HD2  3.00      HD1 PHE   30  HD1  3.00       352
NOELOW  TRP   25  HD1 PHE   30  HE1  3.00      HE1 PHE   30  HE1  3.00       353
NOELOW  TRP   25  HE1 PHE   30  HE2  3.00                                    354
NOELOW  HIS   26  HN  PHE   30  HA   3.00      QB  CYS   29  QB   3.00       355
NOELOW  HIS   26  HD2 LYS   27  HN   3.00                                    356
NOELOW  LYS   27  HA  LYS   27  QE   3.00      QG  ALA   28  HN   3.00       357
NOELOW  LYS   27  QD  ALA   28  HN   3.00                                    358
NOELOW  CYS    5  SG  CYS    8  SG   3.73      SG  CYS   29  SG   3.73       359
NOELOW  HET   31  ZN  CYS    8  SG   2.25      ZN  CYS    8  CB   2.99       360
NOELOW  HET   31  ZN  HIS   26  ND1  1.95      ZN  HIS   26  CG   2.93       361
NOELOW  HET   31  ZN  HIS   26  CE1  2.88      ZN  CYS   29  SG   2.25       362
NOELOW  HET   31  ZN  CYS   29  CB   2.99                                    363
ANGLE   MET    1 PHI     35.00  325.00        PSI     55.00  185.00          364
ANGLE   ASN    2 PHI   -155.00  -85.00        PSI    -95.00  205.00          365
ANGLE   ASN    2 CHI1   175.00  305.00                                       366
ANGLE   ASN    4 PHI   -155.00  -85.00        PSI    105.00  175.00          367
ANGLE   ASN    4 CHI1   165.00  315.00                                       368
ANGLE   CYS    5 PHI    -65.00  -45.00        PSI     85.00  175.00          369
ANGLE   CYS    5 CHI1   165.00  195.00                                       370
ANGLE   ALA    6 PHI    -80.00  -35.00        PSI     35.00  345.00          371
ANGLE   ARG    7 PHI   -145.00  -95.00        PSI    -95.00  -15.00          372
ANGLE   CYS    8 PHI   -105.00  -85.00        PSI    -95.00   45.00          373
ANGLE   CYS    8 CHI1    15.00  115.00                                       374
ANGLE   LYS   10 PHI   -135.00  -95.00        PSI    145.00  175.00          375
ANGLE   LYS   10 CHI1   -75.00  -65.00                                       376
ANGLE   ILE   11 PHI    -55.00  -35.00        PSI     95.00  145.00          377
ANGLE   ILE   11 CHI1   165.00  215.00                                       378
ANGLE   VAL   12 PHI   -135.00 -105.00        PSI     45.00  185.00          379
ANGLE   VAL   12 CHI1    85.00  195.00                                       380
ANGLE   TYR   13 PHI   -145.00  -45.00        PSI    -95.00  205.00          381
ANGLE   TYR   13 CHI1   175.00  305.00                                       382
ANGLE   THR   15 PHI    175.00  305.00        PSI    -95.00  -15.00          383
ANGLE   THR   15 CHI1  -275.00   35.00                                       384
ANGLE   LYS   17 PHI     35.00  325.00        PSI     55.00  175.00          385
ANGLE   ASN   19 PHI   -145.00  -95.00        PSI     55.00  185.00          386
ANGLE   ASN   19 CHI1  -255.00   15.00                                       387
ANGLE   CYS   20 PHI     35.00  325.00        PSI     35.00  195.00          388
ANGLE   LEU   21 PHI     35.00  325.00        PSI    -95.00  135.00          389
ANGLE   ASP   22 PHI   -155.00  -85.00        PSI    -95.00   75.00          390
ANGLE   LYS   23 PHI   -145.00  -95.00        PSI    155.00  185.00          391
ANGLE   LYS   23 CHI1    -5.00  125.00                                       392
ANGLE   PHE   24 PHI   -125.00 -115.00        PSI     45.00  185.00          393
ANGLE   TRP   25 PHI   -135.00 -105.00        PSI    125.00  185.00          394
ANGLE   TRP   25 CHI1   -95.00  -45.00                                       395
ANGLE   HIS   26 PHI     35.00  325.00        PSI     65.00  165.00          396
ANGLE   LYS   27 PHI    -55.00  -35.00        PSI    -95.00  -25.00          397
ANGLE   LYS   27 CHI1    95.00  255.00                                       398
ANGLE   ALA   28 PHI    -90.00  -30.00        PSI    -95.00  105.00          399
ANGLE   CYS   29 PHI   -145.00  -95.00        PSI    -85.00   55.00          400
ANGLE   PHE   30 PHI   -135.00  -35.00        PSI    -95.00  205.00          401
ANGLE   PHE   30 CHI1   165.00  185.00                                       402
MASTER       85    0   52   28  102   84   39                                403
END                                                                          404

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   0          1HC       ACE   0   7.065  11.880  -6.317
    2   2H    ACE   0          2HC       ACE   0   7.950  12.056  -7.850
    3   3H    ACE   0          3HC       ACE   0   6.682  13.217  -7.404
    4    H    MET   1           HN       MET   1   4.492  12.578  -7.535
    5    HA   MET   1           HA       MET   1   2.648  11.436  -8.015
    6   1HB   MET   1          2HB       MET   1   3.531  12.109 -10.286
    7   2HB   MET   1          3HB       MET   1   4.114  10.457 -10.477
    8   1HG   MET   1          2HG       MET   1   1.638   9.783  -9.913
    9   2HG   MET   1          3HG       MET   1   1.264  11.473 -10.223
   10   1HE   MET   1          2HE       MET   1   1.886  12.654 -12.618
   11   2HE   MET   1          3HE       MET   1   3.519  11.940 -12.692
   12   3HE   MET   1          1HE       MET   1   2.395  11.720 -14.045
   13    H    ASN   2           HN       ASN   2   3.930  10.226  -6.067
   14    HA   ASN   2           HA       ASN   2   4.657   7.446  -6.698
   15   1HB   ASN   2          2HB       ASN   2   4.724   9.124  -4.149
   16   2HB   ASN   2          3HB       ASN   2   5.107   7.418  -4.168
   17   1HD2  ASN   2          2HD2      ASN   2   8.079   9.851  -5.138
   18   2HD2  ASN   2          1HD2      ASN   2   6.694  10.332  -4.175
   19    HA   PRO   3           HA       PRO   3   0.629   5.867  -5.769
   20   1HB   PRO   3          2HB       PRO   3   1.124   3.312  -4.891
   21   2HB   PRO   3          3HB       PRO   3   1.317   3.832  -6.595
   22   1HG   PRO   3          2HG       PRO   3   3.463   3.590  -4.464
   23   2HG   PRO   3          3HG       PRO   3   3.502   2.995  -6.154
   24   1HD   PRO   3          2HD       PRO   3   4.656   5.360  -5.437
   25   2HD   PRO   3          3HD       PRO   3   3.821   5.169  -7.009
   26    H    ASN   4           HN       ASN   4  -0.508   6.688  -4.103
   27    HA   ASN   4           HA       ASN   4   0.453   6.509  -1.310
   28   1HB   ASN   4          2HB       ASN   4  -2.034   7.719  -2.559
   29   2HB   ASN   4          3HB       ASN   4  -1.717   7.693  -0.835
   30   1HD2  ASN   4          2HD2      ASN   4   0.357  10.574  -0.942
   31   2HD2  ASN   4          1HD2      ASN   4  -0.386   9.365   0.083
   32    H    CYS   5           HN       CYS   5  -0.483   5.201   0.166
   33    HA   CYS   5           HA       CYS   5  -1.647   2.764  -0.343
   34   1HB   CYS   5          2HB       CYS   5  -0.508   3.492   1.689
   35   2HB   CYS   5          3HB       CYS   5  -1.839   4.575   2.090
   36    H    ALA   6           HN       ALA   6  -3.552   2.108  -0.846
   37    HA   ALA   6           HA       ALA   6  -5.824   3.795  -1.311
   38   1HB   ALA   6          3HB       ALA   6  -5.415   0.790  -1.214
   39   2HB   ALA   6          1HB       ALA   6  -6.904   1.553  -1.798
   40   3HB   ALA   6          2HB       ALA   6  -5.364   1.826  -2.644
   41    H    ARG   7           HN       ARG   7  -4.641   2.791   1.659
   42    HA   ARG   7           HA       ARG   7  -7.361   2.893   2.906
   43   1HB   ARG   7          2HB       ARG   7  -6.617   0.678   3.196
   44   2HB   ARG   7          3HB       ARG   7  -4.969   1.178   3.494
   45   1HG   ARG   7          2HG       ARG   7  -5.811   0.382   5.530
   46   2HG   ARG   7          3HG       ARG   7  -5.720   2.110   5.748
   47   1HD   ARG   7          2HD       ARG   7  -8.280   0.681   4.891
   48   2HD   ARG   7          3HD       ARG   7  -7.775   0.815   6.582
   49    HE   ARG   7           HE       ARG   7  -7.812   3.413   5.375
   50   1HH1  ARG   7          2HH2      ARG   7 -10.003   0.866   6.586
   51   2HH1  ARG   7          1HH2      ARG   7 -11.181   1.980   7.200
   52   1HH2  ARG   7          2HH1      ARG   7  -9.377   4.875   6.163
   53   2HH2  ARG   7          1HH1      ARG   7 -10.813   4.319   6.957
   54    H    CYS   8           HN       CYS   8  -3.834   3.571   3.645
   55    HA   CYS   8           HA       CYS   8  -4.834   5.109   5.940
   56   1HB   CYS   8          2HB       CYS   8  -2.601   5.308   6.679
   57   2HB   CYS   8          3HB       CYS   8  -2.898   3.637   6.222
   58    H    GLY   9           HN       GLY   9  -2.733   5.777   3.238
   59   1HA   GLY   9          1HA       GLY   9  -3.614   7.613   1.678
   60   2HA   GLY   9          2HA       GLY   9  -3.510   8.641   3.117
   61    H    LYS  10           HN       LYS  10  -0.884   6.554   3.504
   62    HA   LYS  10           HA       LYS  10   0.859   8.728   2.547
   63   1HB   LYS  10          2HB       LYS  10   1.665   6.148   3.936
   64   2HB   LYS  10          3HB       LYS  10   2.602   7.619   3.775
   65   1HG   LYS  10          2HG       LYS  10   0.798   8.766   5.212
   66   2HG   LYS  10          3HG       LYS  10   0.136   7.143   5.486
   67   1HD   LYS  10          2HD       LYS  10   2.615   6.503   6.112
   68   2HD   LYS  10          3HD       LYS  10   2.848   8.243   6.311
   69   1HE   LYS  10          2HE       LYS  10   0.797   6.475   7.735
   70   2HE   LYS  10          3HE       LYS  10   2.309   7.094   8.414
   71   1HZ   LYS  10          1HZ       LYS  10   1.390   9.362   8.093
   72   2HZ   LYS  10          2HZ       LYS  10  -0.044   8.715   7.654
   73   3HZ   LYS  10          3HZ       LYS  10   0.526   8.420   9.144
   74    H    ILE  11           HN       ILE  11   2.741   8.381   1.204
   75    HA   ILE  11           HA       ILE  11   2.675   6.705  -1.024
   76    HB   ILE  11           HB       ILE  11   4.100   8.512  -1.065
   77   1HG1  ILE  11          2HG1      ILE  11   5.772   5.987  -0.863
   78   2HG1  ILE  11          3HG1      ILE  11   4.860   6.514  -2.257
   79   1HG2  ILE  11          1HG2      ILE  11   5.580   7.421   1.349
   80   2HG2  ILE  11          2HG2      ILE  11   6.060   8.841   0.400
   81   3HG2  ILE  11          3HG2      ILE  11   4.566   8.891   1.302
   82   1HD1  ILE  11          1HD1      ILE  11   6.357   8.637  -2.218
   83   2HD1  ILE  11          2HD1      ILE  11   7.371   7.742  -1.067
   84   3HD1  ILE  11          3HD1      ILE  11   7.132   7.110  -2.692
   85    H    VAL  12           HN       VAL  12   3.185   4.691  -1.523
   86    HA   VAL  12           HA       VAL  12   4.022   2.794   0.605
   87    HB   VAL  12           HB       VAL  12   2.797   2.324  -2.151
   88   1HG1  VAL  12          1HG1      VAL  12   3.506   0.444   0.150
   89   2HG1  VAL  12          2HG1      VAL  12   2.577  -0.032  -1.270
   90   3HG1  VAL  12          3HG1      VAL  12   4.257   0.468  -1.461
   91   1HG2  VAL  12          3HG2      VAL  12   1.163   3.336  -0.581
   92   2HG2  VAL  12          1HG2      VAL  12   0.769   1.658  -0.941
   93   3HG2  VAL  12          2HG2      VAL  12   1.522   2.060   0.605
   94    H    TYR  13           HN       TYR  13   6.160   2.931   0.704
   95    HA   TYR  13           HA       TYR  13   7.888   3.585  -1.526
   96   1HB   TYR  13          2HB       TYR  13   8.304   2.562   1.313
   97   2HB   TYR  13          3HB       TYR  13   9.642   2.744   0.192
   98    HD1  TYR  13           HD1      TYR  13  10.168   5.003  -0.820
   99    HD2  TYR  13           HD2      TYR  13   7.362   4.533   2.442
  100    HE1  TYR  13           HE1      TYR  13  10.339   7.406  -0.328
  101    HE2  TYR  13           HE2      TYR  13   7.526   6.955   2.917
  102    HH   TYR  13           HH       TYR  13   8.757   8.940   2.451
  103    HA   PRO  14           HA       PRO  14   8.056  -0.314  -3.441
  104   1HB   PRO  14          2HB       PRO  14  10.739  -0.720  -4.038
  105   2HB   PRO  14          3HB       PRO  14   9.633   0.382  -4.918
  106   1HG   PRO  14          2HG       PRO  14  11.576   1.040  -2.686
  107   2HG   PRO  14          3HG       PRO  14  11.345   1.889  -4.247
  108   1HD   PRO  14          2HD       PRO  14  10.188   2.816  -2.002
  109   2HD   PRO  14          3HD       PRO  14   9.257   2.801  -3.528
  110    H    THR  15           HN       THR  15   9.753   0.064  -0.505
  111    HA   THR  15           HA       THR  15  10.685  -2.550   0.060
  112    HB   THR  15           HB       THR  15  11.168  -0.217   1.040
  113    HG1  THR  15          1HG       THR  15  12.114  -1.172   2.549
  114   1HG2  THR  15          2HG2      THR  15   8.718   0.289   1.562
  115   2HG2  THR  15          3HG2      THR  15   8.885  -0.831   2.927
  116   3HG2  THR  15          1HG2      THR  15   9.871   0.628   2.845
  117    H    GLU  16           HN       GLU  16   7.400  -1.152   0.089
  118    HA   GLU  16           HA       GLU  16   6.321  -3.431   1.678
  119   1HB   GLU  16          2HB       GLU  16   6.822  -1.750   3.198
  120   2HB   GLU  16          3HB       GLU  16   6.201  -0.437   2.164
  121   1HG   GLU  16          2HG       GLU  16   4.001  -0.988   2.824
  122   2HG   GLU  16          3HG       GLU  16   4.467  -2.590   3.434
  123    H    LYS  17           HN       LYS  17   6.271  -3.212  -1.157
  124    HA   LYS  17           HA       LYS  17   3.742  -2.133  -2.086
  125   1HB   LYS  17          2HB       LYS  17   5.587  -4.210  -3.351
  126   2HB   LYS  17          3HB       LYS  17   4.231  -3.413  -4.151
  127   1HG   LYS  17          2HG       LYS  17   5.394  -1.205  -3.844
  128   2HG   LYS  17          3HG       LYS  17   6.734  -2.069  -3.084
  129   1HD   LYS  17          2HD       LYS  17   7.512  -1.861  -5.273
  130   2HD   LYS  17          3HD       LYS  17   6.847  -3.485  -5.258
  131   1HE   LYS  17          2HE       LYS  17   6.054  -2.544  -7.276
  132   2HE   LYS  17          3HE       LYS  17   4.669  -2.465  -6.185
  133   1HZ   LYS  17          1HZ       LYS  17   5.357  -0.091  -5.759
  134   2HZ   LYS  17          2HZ       LYS  17   6.515  -0.278  -6.895
  135   3HZ   LYS  17          3HZ       LYS  17   4.942  -0.361  -7.333
  136    H    VAL  18           HN       VAL  18   2.411  -3.121  -0.299
  137    HA   VAL  18           HA       VAL  18   1.974  -5.856  -0.135
  138    HB   VAL  18           HB       VAL  18   0.242  -3.451   0.482
  139   1HG1  VAL  18          1HG1      VAL  18  -0.435  -6.355   1.103
  140   2HG1  VAL  18          2HG1      VAL  18  -1.226  -4.940   1.824
  141   3HG1  VAL  18          3HG1      VAL  18  -1.387  -5.235   0.094
  142   1HG2  VAL  18          1HG2      VAL  18   1.864  -5.459   2.107
  143   2HG2  VAL  18          2HG2      VAL  18   2.165  -3.714   1.926
  144   3HG2  VAL  18          3HG2      VAL  18   0.750  -4.311   2.827
  145    H    ASN  19           HN       ASN  19   0.691  -7.326  -1.148
  146    HA   ASN  19           HA       ASN  19  -0.473  -6.554  -3.758
  147   1HB   ASN  19          2HB       ASN  19   0.424  -9.223  -2.604
  148   2HB   ASN  19          3HB       ASN  19  -0.541  -9.088  -4.071
  149   1HD2  ASN  19          2HD2      ASN  19   2.088  -7.695  -6.070
  150   2HD2  ASN  19          1HD2      ASN  19   0.356  -7.901  -5.954
  151    H    CYS  20           HN       CYS  20  -2.400  -5.653  -3.055
  152    HA   CYS  20           HA       CYS  20  -4.422  -7.691  -2.188
  153   1HB   CYS  20          2HB       CYS  20  -4.825  -4.721  -2.668
  154   2HB   CYS  20          3HB       CYS  20  -6.036  -5.854  -2.072
  155    HG   CYS  20           HG       CYS  20  -5.133  -4.166  -0.192
  156    H    LEU  21           HN       LEU  21  -6.447  -6.732  -3.748
  157    HA   LEU  21           HA       LEU  21  -6.651  -7.997  -5.994
  158   1HB   LEU  21          2HB       LEU  21  -7.545  -5.138  -5.475
  159   2HB   LEU  21          3HB       LEU  21  -8.079  -6.059  -6.869
  160    HG   LEU  21           HG       LEU  21  -9.294  -7.629  -5.530
  161   1HD1  LEU  21          2HD1      LEU  21  -8.194  -6.239  -3.044
  162   2HD1  LEU  21          3HD1      LEU  21  -9.535  -7.385  -3.069
  163   3HD1  LEU  21          1HD1      LEU  21  -7.941  -7.951  -3.529
  164   1HD2  LEU  21          3HD2      LEU  21  -9.700  -4.760  -4.550
  165   2HD2  LEU  21          1HD2      LEU  21 -10.357  -5.467  -6.041
  166   3HD2  LEU  21          2HD2      LEU  21 -10.901  -6.052  -4.465
  167    H    ASP  22           HN       ASP  22  -5.734  -4.567  -6.343
  168    HA   ASP  22           HA       ASP  22  -4.045  -5.127  -8.709
  169   1HB   ASP  22          2HB       ASP  22  -5.475  -3.649  -9.953
  170   2HB   ASP  22          3HB       ASP  22  -6.562  -4.777  -9.129
  171    H    LYS  23           HN       LYS  23  -4.037  -3.550  -5.746
  172    HA   LYS  23           HA       LYS  23  -2.294  -1.414  -6.696
  173   1HB   LYS  23          2HB       LYS  23  -3.519   0.436  -5.619
  174   2HB   LYS  23          3HB       LYS  23  -4.380  -0.272  -6.907
  175   1HG   LYS  23          2HG       LYS  23  -5.753  -1.598  -5.147
  176   2HG   LYS  23          3HG       LYS  23  -4.867  -0.671  -3.933
  177   1HD   LYS  23          2HD       LYS  23  -6.929   0.467  -4.202
  178   2HD   LYS  23          3HD       LYS  23  -5.714   1.451  -5.015
  179   1HE   LYS  23          2HE       LYS  23  -7.637   1.425  -6.417
  180   2HE   LYS  23          3HE       LYS  23  -6.443   0.390  -7.215
  181   1HZ   LYS  23          2HZ       LYS  23  -8.653  -0.631  -5.512
  182   2HZ   LYS  23          3HZ       LYS  23  -8.679  -0.540  -7.167
  183   3HZ   LYS  23          1HZ       LYS  23  -7.613  -1.510  -6.447
  184    H    PHE  24           HN       PHE  24  -2.153   0.056  -4.638
  185    HA   PHE  24           HA       PHE  24  -0.437  -1.735  -2.972
  186   1HB   PHE  24          2HB       PHE  24  -0.009   1.140  -3.879
  187   2HB   PHE  24          3HB       PHE  24   1.098   0.229  -2.869
  188    HD1  PHE  24          1HD       PHE  24   1.631  -2.284  -3.884
  189    HD2  PHE  24          2HD       PHE  24   0.596   1.240  -6.168
  190    HE1  PHE  24          1HE       PHE  24   2.644  -3.281  -5.900
  191    HE2  PHE  24          2HE       PHE  24   1.667   0.243  -8.160
  192    HZ   PHE  24           HZ       PHE  24   2.681  -2.020  -8.036
  193    H    TRP  25           HN       TRP  25  -0.118  -1.458  -0.873
  194    HA   TRP  25           HA       TRP  25  -1.719   0.370   0.735
  195   1HB   TRP  25          2HB       TRP  25  -1.767  -2.632   1.233
  196   2HB   TRP  25          3HB       TRP  25  -2.750  -1.391   1.989
  197    HD1  TRP  25           HD1      TRP  25  -2.241  -3.020  -1.466
  198    HE1  TRP  25           HE1      TRP  25  -4.318  -2.771  -2.873
  199    HE3  TRP  25           HE3      TRP  25  -5.256  -0.747   1.975
  200    HZ2  TRP  25           HZ2      TRP  25  -7.112  -1.976  -2.480
  201    HZ3  TRP  25           HZ3      TRP  25  -7.666  -0.338   1.451
  202    HH2  TRP  25           HH2      TRP  25  -8.581  -0.944  -0.764
  203    H    HIS  26           HN       HIS  26  -0.914  -0.909   3.160
  204    HA   HIS  26           HA       HIS  26   1.978  -1.361   2.944
  205   1HB   HIS  26          2HB       HIS  26   0.721   0.220   5.194
  206   2HB   HIS  26          3HB       HIS  26   2.398  -0.223   5.109
  207    HD2  HIS  26           HD2      HIS  26   3.941   1.175   3.233
  208    HE1  HIS  26           HE1      HIS  26   1.131   4.358   2.944
  209    HE2  HIS  26           HE2      HIS  26   3.494   3.647   2.392
  210    H    LYS  27           HN       LYS  27   2.702  -2.534   5.066
  211    HA   LYS  27           HA       LYS  27   1.473  -4.948   5.271
  212   1HB   LYS  27          2HB       LYS  27   3.628  -4.370   6.211
  213   2HB   LYS  27          3HB       LYS  27   2.893  -3.409   7.473
  214   1HG   LYS  27          2HG       LYS  27   1.866  -5.410   8.471
  215   2HG   LYS  27          3HG       LYS  27   2.480  -6.403   7.127
  216   1HD   LYS  27          2HD       LYS  27   4.776  -5.984   7.799
  217   2HD   LYS  27          3HD       LYS  27   4.272  -4.798   9.000
  218   1HE   LYS  27          2HE       LYS  27   4.920  -6.987   9.990
  219   2HE   LYS  27          3HE       LYS  27   3.286  -6.458  10.398
  220   1HZ   LYS  27          2HZ       LYS  27   3.877  -8.457   8.290
  221   2HZ   LYS  27          3HZ       LYS  27   3.383  -8.811   9.819
  222   3HZ   LYS  27          1HZ       LYS  27   2.397  -7.985   8.818
  223    H    ALA  28           HN       ALA  28   0.904  -2.591   7.932
  224    HA   ALA  28           HA       ALA  28  -1.385  -4.116   8.848
  225   1HB   ALA  28          2HB       ALA  28   0.031  -2.814  10.399
  226   2HB   ALA  28          3HB       ALA  28  -0.603  -1.305   9.687
  227   3HB   ALA  28          1HB       ALA  28  -1.689  -2.416  10.527
  228    H    CYS  29           HN       CYS  29  -1.183  -1.908   6.228
  229    HA   CYS  29           HA       CYS  29  -3.920  -0.865   6.576
  230   1HB   CYS  29          2HB       CYS  29  -1.976  -0.440   4.294
  231   2HB   CYS  29          3HB       CYS  29  -3.419   0.473   4.630
  232    H    PHE  30           HN       PHE  30  -2.444  -3.614   5.080
  233    HA   PHE  30           HA       PHE  30  -3.621  -4.166   2.718
  234   1HB   PHE  30          2HB       PHE  30  -2.250  -5.830   3.830
  235   2HB   PHE  30          3HB       PHE  30  -3.425  -6.001   5.125
  236    HD1  PHE  30          2HD       PHE  30  -2.863  -6.726   1.508
  237    HD2  PHE  30          1HD       PHE  30  -5.331  -7.473   4.958
  238    HE1  PHE  30          2HE       PHE  30  -4.190  -8.352   0.204
  239    HE2  PHE  30          1HE       PHE  30  -6.611  -9.147   3.662
  240    HZ   PHE  30           HZ       PHE  30  -6.101  -9.532   1.251
   
  No H/Q in entry =         240
  Start of MODEL    2
    1   1H    ACE   0          1HC       ACE   0   8.390  11.050  -6.067
    2   2H    ACE   0          2HC       ACE   0   9.775   9.963  -6.315
    3   3H    ACE   0          3HC       ACE   0   9.322  11.122  -7.581
    4    H    MET   1           HN       MET   1   6.479  10.733  -7.393
    5    HA   MET   1           HA       MET   1   4.837   9.572  -8.396
    6   1HB   MET   1          2HB       MET   1   7.129   8.602 -10.113
    7   2HB   MET   1          3HB       MET   1   5.422   8.466 -10.542
    8   1HG   MET   1          2HG       MET   1   5.128  10.837 -10.626
    9   2HG   MET   1          3HG       MET   1   6.714  11.149  -9.927
   10   1HE   MET   1          1HE       MET   1   8.953  10.946 -11.046
   11   2HE   MET   1          2HE       MET   1   8.739   9.247 -11.518
   12   3HE   MET   1          3HE       MET   1   9.235  10.441 -12.727
   13    H    ASN   2           HN       ASN   2   5.709   8.408  -6.061
   14    HA   ASN   2           HA       ASN   2   5.462   5.463  -6.432
   15   1HB   ASN   2          2HB       ASN   2   6.079   7.274  -4.082
   16   2HB   ASN   2          3HB       ASN   2   5.433   5.676  -3.787
   17   1HD2  ASN   2          2HD2      ASN   2   9.366   6.034  -4.679
   18   2HD2  ASN   2          1HD2      ASN   2   8.316   7.392  -4.303
   19    HA   PRO   3           HA       PRO   3   1.031   5.743  -5.789
   20   1HB   PRO   3          2HB       PRO   3   0.436   3.390  -4.494
   21   2HB   PRO   3          3HB       PRO   3   0.909   3.473  -6.219
   22   1HG   PRO   3          2HG       PRO   3   2.660   2.820  -3.837
   23   2HG   PRO   3          3HG       PRO   3   2.548   1.961  -5.401
   24   1HD   PRO   3          2HD       PRO   3   4.499   3.794  -4.855
   25   2HD   PRO   3          3HD       PRO   3   3.810   3.611  -6.498
   26    H    ASN   4           HN       ASN   4  -0.663   5.717  -3.940
   27    HA   ASN   4           HA       ASN   4   0.561   6.329  -1.296
   28   1HB   ASN   4          2HB       ASN   4  -1.896   7.632  -2.519
   29   2HB   ASN   4          3HB       ASN   4  -1.423   7.764  -0.840
   30   1HD2  ASN   4          2HD2      ASN   4   0.233  10.235  -3.610
   31   2HD2  ASN   4          1HD2      ASN   4  -0.880   8.961  -4.018
   32    H    CYS   5           HN       CYS   5  -0.752   5.720   0.480
   33    HA   CYS   5           HA       CYS   5  -1.869   3.120   0.280
   34   1HB   CYS   5          2HB       CYS   5  -0.640   4.277   2.194
   35   2HB   CYS   5          3HB       CYS   5  -2.122   5.169   2.505
   36    H    ALA   6           HN       ALA   6  -3.787   2.657  -0.529
   37    HA   ALA   6           HA       ALA   6  -6.045   4.499  -0.689
   38   1HB   ALA   6          2HB       ALA   6  -5.727   1.531  -1.275
   39   2HB   ALA   6          3HB       ALA   6  -7.232   2.445  -1.522
   40   3HB   ALA   6          1HB       ALA   6  -5.778   2.860  -2.436
   41    H    ARG   7           HN       ARG   7  -4.693   3.386   2.072
   42    HA   ARG   7           HA       ARG   7  -7.373   3.100   3.321
   43   1HB   ARG   7          2HB       ARG   7  -5.623   1.005   3.182
   44   2HB   ARG   7          3HB       ARG   7  -5.082   1.781   4.657
   45   1HG   ARG   7          2HG       ARG   7  -6.612   0.353   5.531
   46   2HG   ARG   7          3HG       ARG   7  -7.670   1.735   5.290
   47   1HD   ARG   7          2HD       ARG   7  -7.353  -0.727   3.504
   48   2HD   ARG   7          3HD       ARG   7  -8.732  -0.345   4.541
   49    HE   ARG   7           HE       ARG   7  -8.162   1.669   2.486
   50   1HH1  ARG   7          2HH2      ARG   7  -9.938  -1.389   3.072
   51   2HH1  ARG   7          1HH2      ARG   7 -10.856  -1.249   1.629
   52   1HH2  ARG   7          2HH1      ARG   7  -9.542   1.945   0.719
   53   2HH2  ARG   7          1HH1      ARG   7 -10.718   0.757   0.338
   54    H    CYS   8           HN       CYS   8  -3.908   3.951   4.128
   55    HA   CYS   8           HA       CYS   8  -4.974   5.512   6.352
   56   1HB   CYS   8          2HB       CYS   8  -2.748   5.928   7.007
   57   2HB   CYS   8          3HB       CYS   8  -2.947   4.209   6.644
   58    H    GLY   9           HN       GLY   9  -3.064   6.209   3.503
   59   1HA   GLY   9          1HA       GLY   9  -3.863   8.076   1.955
   60   2HA   GLY   9          2HA       GLY   9  -3.986   9.051   3.425
   61    H    LYS  10           HN       LYS  10  -1.247   7.075   3.906
   62    HA   LYS  10           HA       LYS  10   0.534   9.286   3.133
   63   1HB   LYS  10          2HB       LYS  10   1.179   6.648   4.513
   64   2HB   LYS  10          3HB       LYS  10   2.172   8.101   4.456
   65   1HG   LYS  10          2HG       LYS  10   0.325   9.281   5.751
   66   2HG   LYS  10          3HG       LYS  10  -0.475   7.726   5.937
   67   1HD   LYS  10          2HD       LYS  10   1.642   6.777   6.915
   68   2HD   LYS  10          3HD       LYS  10   2.323   8.401   6.928
   69   1HE   LYS  10          2HE       LYS  10  -0.223   7.530   8.366
   70   2HE   LYS  10          3HE       LYS  10   1.372   7.641   9.111
   71   1HZ   LYS  10          3HZ       LYS  10   1.376  10.004   8.657
   72   2HZ   LYS  10          1HZ       LYS  10  -0.149   9.912   8.035
   73   3HZ   LYS  10          2HZ       LYS  10   0.113   9.512   9.617
   74    H    ILE  11           HN       ILE  11   2.526   8.870   1.884
   75    HA   ILE  11           HA       ILE  11   2.103   7.371  -0.442
   76    HB   ILE  11           HB       ILE  11   3.610   9.392   0.002
   77   1HG1  ILE  11          2HG1      ILE  11   4.545   7.189  -1.869
   78   2HG1  ILE  11          3HG1      ILE  11   3.181   8.276  -2.149
   79   1HG2  ILE  11          3HG2      ILE  11   5.068   8.333   1.719
   80   2HG2  ILE  11          1HG2      ILE  11   5.702   7.238   0.470
   81   3HG2  ILE  11          2HG2      ILE  11   5.977   8.982   0.348
   82   1HD1  ILE  11          3HD1      ILE  11   4.788  10.230  -1.956
   83   2HD1  ILE  11          1HD1      ILE  11   6.098   9.041  -2.011
   84   3HD1  ILE  11          2HD1      ILE  11   4.982   9.190  -3.377
   85    H    VAL  12           HN       VAL  12   2.944   5.393  -1.232
   86    HA   VAL  12           HA       VAL  12   3.672   3.373   0.832
   87    HB   VAL  12           HB       VAL  12   2.052   3.263  -1.728
   88   1HG1  VAL  12          1HG1      VAL  12   3.080   0.816  -0.204
   89   2HG1  VAL  12          2HG1      VAL  12   1.809   0.808  -1.439
   90   3HG1  VAL  12          3HG1      VAL  12   3.446   1.246  -1.897
   91   1HG2  VAL  12          3HG2      VAL  12   0.960   3.817   0.477
   92   2HG2  VAL  12          1HG2      VAL  12   0.318   2.374  -0.322
   93   3HG2  VAL  12          2HG2      VAL  12   1.424   2.210   1.057
   94    H    TYR  13           HN       TYR  13   5.094   1.580  -0.179
   95    HA   TYR  13           HA       TYR  13   7.140   2.758  -1.939
   96   1HB   TYR  13          2HB       TYR  13   7.548   1.611   0.863
   97   2HB   TYR  13          3HB       TYR  13   8.838   1.720  -0.321
   98    HD1  TYR  13           HD1      TYR  13   6.582   3.713   1.853
   99    HD2  TYR  13           HD2      TYR  13   9.869   3.812  -0.948
  100    HE1  TYR  13           HE1      TYR  13   7.074   6.056   2.506
  101    HE2  TYR  13           HE2      TYR  13  10.379   6.118  -0.273
  102    HH   TYR  13           HH       TYR  13   8.530   7.855   2.268
  103    HA   PRO  14           HA       PRO  14   6.828  -1.371  -3.475
  104   1HB   PRO  14          2HB       PRO  14   9.127  -1.628  -4.952
  105   2HB   PRO  14          3HB       PRO  14   7.767  -0.558  -5.423
  106   1HG   PRO  14          2HG       PRO  14  10.270   0.202  -3.879
  107   2HG   PRO  14          3HG       PRO  14   9.595   0.990  -5.345
  108   1HD   PRO  14          2HD       PRO  14   9.097   1.954  -2.873
  109   2HD   PRO  14          3HD       PRO  14   7.811   1.931  -4.116
  110    H    THR  15           HN       THR  15   9.347  -0.416  -1.294
  111    HA   THR  15           HA       THR  15  10.437  -3.058  -0.837
  112    HB   THR  15           HB       THR  15  10.444  -0.571   0.915
  113    HG1  THR  15          1HG       THR  15  11.901  -1.200  -1.426
  114   1HG2  THR  15          1HG2      THR  15  12.386  -2.891   0.721
  115   2HG2  THR  15          2HG2      THR  15  12.660  -1.405   1.672
  116   3HG2  THR  15          3HG2      THR  15  11.346  -2.504   2.089
  117    H    GLU  16           HN       GLU  16   7.413  -1.509   0.050
  118    HA   GLU  16           HA       GLU  16   7.012  -3.587   2.161
  119   1HB   GLU  16          2HB       GLU  16   7.022  -1.242   3.030
  120   2HB   GLU  16          3HB       GLU  16   5.636  -0.877   1.997
  121   1HG   GLU  16          2HG       GLU  16   4.243  -2.375   3.244
  122   2HG   GLU  16          3HG       GLU  16   5.634  -3.202   3.957
  123    H    LYS  17           HN       LYS  17   5.745  -2.123  -0.747
  124    HA   LYS  17           HA       LYS  17   3.290  -2.341  -1.093
  125   1HB   LYS  17          2HB       LYS  17   3.453  -3.193  -3.355
  126   2HB   LYS  17          3HB       LYS  17   4.744  -2.064  -2.971
  127   1HG   LYS  17          2HG       LYS  17   6.246  -4.061  -2.578
  128   2HG   LYS  17          3HG       LYS  17   4.956  -5.100  -3.194
  129   1HD   LYS  17          2HD       LYS  17   4.971  -3.879  -5.340
  130   2HD   LYS  17          3HD       LYS  17   6.377  -2.966  -4.795
  131   1HE   LYS  17          2HE       LYS  17   6.187  -5.964  -5.231
  132   2HE   LYS  17          3HE       LYS  17   7.131  -4.796  -6.165
  133   1HZ   LYS  17          2HZ       LYS  17   8.378  -4.384  -4.032
  134   2HZ   LYS  17          3HZ       LYS  17   7.615  -5.664  -3.383
  135   3HZ   LYS  17          1HZ       LYS  17   8.596  -5.882  -4.690
  136    H    VAL  18           HN       VAL  18   1.944  -3.448   0.291
  137    HA   VAL  18           HA       VAL  18   1.802  -6.229   0.433
  138    HB   VAL  18           HB       VAL  18  -0.208  -4.018   0.693
  139   1HG1  VAL  18          2HG1      VAL  18  -0.680  -6.928   1.423
  140   2HG1  VAL  18          3HG1      VAL  18  -1.731  -5.549   1.852
  141   3HG1  VAL  18          1HG1      VAL  18  -1.541  -6.010   0.168
  142   1HG2  VAL  18          2HG2      VAL  18   1.215  -5.781   2.731
  143   2HG2  VAL  18          3HG2      VAL  18   1.543  -4.065   2.415
  144   3HG2  VAL  18          1HG2      VAL  18  -0.012  -4.564   3.121
  145    H    ASN  19           HN       ASN  19   0.807  -7.712  -0.895
  146    HA   ASN  19           HA       ASN  19   0.233  -6.816  -3.615
  147   1HB   ASN  19          2HB       ASN  19   0.264  -9.713  -2.654
  148   2HB   ASN  19          3HB       ASN  19   0.711  -9.089  -4.234
  149   1HD2  ASN  19          2HD2      ASN  19   4.134  -8.430  -3.278
  150   2HD2  ASN  19          1HD2      ASN  19   2.893  -8.217  -4.499
  151    H    CYS  20           HN       CYS  20  -1.807  -6.794  -4.425
  152    HA   CYS  20           HA       CYS  20  -4.031  -8.207  -3.095
  153   1HB   CYS  20          2HB       CYS  20  -3.536  -5.229  -3.182
  154   2HB   CYS  20          3HB       CYS  20  -5.220  -5.782  -3.259
  155    HG   CYS  20           HG       CYS  20  -3.103  -7.038  -1.081
  156    H    LEU  21           HN       LEU  21  -5.983  -6.672  -4.546
  157    HA   LEU  21           HA       LEU  21  -6.486  -8.082  -6.835
  158   1HB   LEU  21          2HB       LEU  21  -7.209  -5.158  -6.211
  159   2HB   LEU  21          3HB       LEU  21  -7.899  -6.137  -7.490
  160    HG   LEU  21           HG       LEU  21  -8.777  -7.700  -5.699
  161   1HD1  LEU  21          1HD1      LEU  21  -8.064  -5.367  -3.851
  162   2HD1  LEU  21          2HD1      LEU  21  -9.154  -6.724  -3.459
  163   3HD1  LEU  21          3HD1      LEU  21  -7.460  -7.044  -3.713
  164   1HD2  LEU  21          1HD2      LEU  21 -10.179  -6.065  -6.863
  165   2HD2  LEU  21          2HD2      LEU  21 -10.691  -6.238  -5.192
  166   3HD2  LEU  21          3HD2      LEU  21  -9.746  -4.812  -5.683
  167    H    ASP  22           HN       ASP  22  -5.642  -4.678  -7.040
  168    HA   ASP  22           HA       ASP  22  -3.479  -4.999  -9.004
  169   1HB   ASP  22          2HB       ASP  22  -4.607  -3.474 -10.483
  170   2HB   ASP  22          3HB       ASP  22  -5.725  -4.781 -10.117
  171    H    LYS  23           HN       LYS  23  -3.789  -4.160  -6.056
  172    HA   LYS  23           HA       LYS  23  -3.117  -1.237  -6.168
  173   1HB   LYS  23          2HB       LYS  23  -4.544  -2.760  -3.950
  174   2HB   LYS  23          3HB       LYS  23  -4.253  -1.023  -3.992
  175   1HG   LYS  23          2HG       LYS  23  -6.142  -2.619  -5.777
  176   2HG   LYS  23          3HG       LYS  23  -6.570  -1.584  -4.417
  177   1HD   LYS  23          2HD       LYS  23  -5.707   0.401  -5.600
  178   2HD   LYS  23          3HD       LYS  23  -5.194  -0.608  -6.955
  179   1HE   LYS  23          2HE       LYS  23  -7.309   0.518  -7.451
  180   2HE   LYS  23          3HE       LYS  23  -7.476  -1.231  -7.470
  181   1HZ   LYS  23          2HZ       LYS  23  -8.443  -1.075  -5.227
  182   2HZ   LYS  23          3HZ       LYS  23  -8.307   0.562  -5.285
  183   3HZ   LYS  23          1HZ       LYS  23  -9.322  -0.242  -6.313
  184    H    PHE  24           HN       PHE  24  -1.675  -0.492  -4.422
  185    HA   PHE  24           HA       PHE  24  -0.181  -2.647  -3.043
  186   1HB   PHE  24          2HB       PHE  24   0.918  -0.046  -4.170
  187   2HB   PHE  24          3HB       PHE  24   1.813  -1.189  -3.174
  188    HD1  PHE  24          2HD       PHE  24   1.210  -3.841  -4.259
  189    HD2  PHE  24          1HD       PHE  24   1.805  -0.103  -6.362
  190    HE1  PHE  24          2HE       PHE  24   1.999  -5.068  -6.230
  191    HE2  PHE  24          1HE       PHE  24   2.636  -1.368  -8.324
  192    HZ   PHE  24           HZ       PHE  24   2.767  -3.843  -8.244
  193    H    TRP  25           HN       TRP  25   0.236  -2.266  -0.892
  194    HA   TRP  25           HA       TRP  25  -0.981   0.172   0.321
  195   1HB   TRP  25          2HB       TRP  25  -1.389  -2.591   1.527
  196   2HB   TRP  25          3HB       TRP  25  -2.230  -1.127   1.824
  197    HD1  TRP  25           HD1      TRP  25  -1.966  -3.738  -1.029
  198    HE1  TRP  25           HE1      TRP  25  -4.241  -3.949  -2.093
  199    HE3  TRP  25           HE3      TRP  25  -4.457  -0.023   1.497
  200    HZ2  TRP  25           HZ2      TRP  25  -6.827  -2.645  -2.011
  201    HZ3  TRP  25           HZ3      TRP  25  -6.830   0.441   0.973
  202    HH2  TRP  25           HH2      TRP  25  -8.034  -0.863  -0.764
  203    H    HIS  26           HN       HIS  26  -0.329   0.193   2.711
  204    HA   HIS  26           HA       HIS  26   2.458  -0.698   3.192
  205   1HB   HIS  26          2HB       HIS  26   0.367   0.500   5.059
  206   2HB   HIS  26          3HB       HIS  26   2.014   0.167   5.515
  207    HD2  HIS  26           HD2      HIS  26   3.859   1.421   3.476
  208    HE1  HIS  26           HE1      HIS  26   1.318   4.849   3.376
  209    HE2  HIS  26           HE2      HIS  26   3.619   3.998   2.797
  210    H    LYS  27           HN       LYS  27   2.942  -2.337   4.806
  211    HA   LYS  27           HA       LYS  27   1.279  -4.566   4.880
  212   1HB   LYS  27          2HB       LYS  27   3.719  -3.658   6.341
  213   2HB   LYS  27          3HB       LYS  27   2.800  -4.998   7.033
  214   1HG   LYS  27          2HG       LYS  27   2.933  -6.300   5.040
  215   2HG   LYS  27          3HG       LYS  27   3.580  -4.963   4.085
  216   1HD   LYS  27          2HD       LYS  27   5.726  -5.214   4.917
  217   2HD   LYS  27          3HD       LYS  27   5.174  -5.859   6.463
  218   1HE   LYS  27          2HE       LYS  27   6.337  -7.559   5.150
  219   2HE   LYS  27          3HE       LYS  27   4.667  -8.008   5.484
  220   1HZ   LYS  27          2HZ       LYS  27   5.594  -6.933   2.881
  221   2HZ   LYS  27          3HZ       LYS  27   5.395  -8.511   3.265
  222   3HZ   LYS  27          1HZ       LYS  27   4.084  -7.549   3.238
  223    H    ALA  28           HN       ALA  28   1.323  -1.824   7.123
  224    HA   ALA  28           HA       ALA  28  -0.546  -2.930   8.979
  225   1HB   ALA  28          1HB       ALA  28   0.965  -1.034   9.497
  226   2HB   ALA  28          2HB       ALA  28   0.095  -0.019   8.315
  227   3HB   ALA  28          3HB       ALA  28  -0.730  -0.599   9.771
  228    H    CYS  29           HN       CYS  29  -1.093  -1.731   5.752
  229    HA   CYS  29           HA       CYS  29  -3.788  -0.689   6.402
  230   1HB   CYS  29          2HB       CYS  29  -1.683   0.106   4.359
  231   2HB   CYS  29          3HB       CYS  29  -3.286   0.776   4.419
  232    H    PHE  30           HN       PHE  30  -2.766  -3.491   5.061
  233    HA   PHE  30           HA       PHE  30  -3.534  -3.883   2.513
  234   1HB   PHE  30          2HB       PHE  30  -2.898  -5.657   4.135
  235   2HB   PHE  30          3HB       PHE  30  -4.506  -5.600   4.832
  236    HD1  PHE  30          2HD       PHE  30  -6.498  -6.012   2.949
  237    HD2  PHE  30          1HD       PHE  30  -2.474  -7.531   2.787
  238    HE1  PHE  30          2HE       PHE  30  -7.215  -7.704   1.332
  239    HE2  PHE  30          1HE       PHE  30  -3.195  -9.221   1.132
  240    HZ   PHE  30           HZ       PHE  30  -5.574  -9.333   0.408
   
  No H/Q in entry =         240
  Start of MODEL    3
    1   1H    ACE   0          1HC       ACE   0  10.593  10.308  -7.866
    2   2H    ACE   0          2HC       ACE   0  10.513   9.049  -6.614
    3   3H    ACE   0          3HC       ACE   0  10.165   8.642  -8.307
    4    H    MET   1           HN       MET   1   7.983   8.134  -8.400
    5    HA   MET   1           HA       MET   1   6.029   9.717  -6.836
    6   1HB   MET   1          2HB       MET   1   6.297  10.717  -9.132
    7   2HB   MET   1          3HB       MET   1   5.818   9.160  -9.820
    8   1HG   MET   1          2HG       MET   1   3.717   9.388  -8.316
    9   2HG   MET   1          3HG       MET   1   4.181  11.075  -8.129
   10   1HE   MET   1          1HE       MET   1   5.323  11.859 -10.988
   11   2HE   MET   1          2HE       MET   1   3.860  12.429 -11.812
   12   3HE   MET   1          3HE       MET   1   4.135  12.845 -10.108
   13    H    ASN   2           HN       ASN   2   5.867   7.867  -5.497
   14    HA   ASN   2           HA       ASN   2   5.280   5.235  -6.702
   15   1HB   ASN   2          2HB       ASN   2   6.094   6.276  -4.036
   16   2HB   ASN   2          3HB       ASN   2   4.897   5.002  -3.954
   17   1HD2  ASN   2          2HD2      ASN   2   8.695   3.949  -4.452
   18   2HD2  ASN   2          1HD2      ASN   2   8.075   5.357  -3.611
   19    HA   PRO   3           HA       PRO   3   0.826   5.506  -6.208
   20   1HB   PRO   3          2HB       PRO   3   0.072   3.027  -5.332
   21   2HB   PRO   3          3HB       PRO   3   0.691   3.336  -6.973
   22   1HG   PRO   3          2HG       PRO   3   2.165   2.165  -4.652
   23   2HG   PRO   3          3HG       PRO   3   2.216   1.707  -6.378
   24   1HD   PRO   3          2HD       PRO   3   4.074   3.311  -5.127
   25   2HD   PRO   3          3HD       PRO   3   3.744   3.366  -6.881
   26    H    ASN   4           HN       ASN   4  -0.991   4.975  -4.472
   27    HA   ASN   4           HA       ASN   4   0.058   5.943  -1.833
   28   1HB   ASN   4          2HB       ASN   4  -2.353   6.843  -3.451
   29   2HB   ASN   4          3HB       ASN   4  -2.099   7.254  -1.775
   30   1HD2  ASN   4          2HD2      ASN   4   1.109   8.911  -3.532
   31   2HD2  ASN   4          1HD2      ASN   4   1.034   7.264  -2.976
   32    H    CYS   5           HN       CYS   5  -0.655   4.994  -0.072
   33    HA   CYS   5           HA       CYS   5  -2.278   2.604  -0.134
   34   1HB   CYS   5          2HB       CYS   5  -0.394   3.075   1.454
   35   2HB   CYS   5          3HB       CYS   5  -1.342   4.408   2.133
   36    H    ALA   6           HN       ALA   6  -4.342   2.947  -0.774
   37    HA   ALA   6           HA       ALA   6  -5.903   5.257  -0.083
   38   1HB   ALA   6          3HB       ALA   6  -6.326   3.834  -2.061
   39   2HB   ALA   6          1HB       ALA   6  -6.816   2.502  -1.009
   40   3HB   ALA   6          2HB       ALA   6  -7.761   4.002  -1.034
   41    H    ARG   7           HN       ARG   7  -4.662   3.162   2.085
   42    HA   ARG   7           HA       ARG   7  -7.110   3.135   3.770
   43   1HB   ARG   7          2HB       ARG   7  -5.361   1.093   3.450
   44   2HB   ARG   7          3HB       ARG   7  -4.603   1.935   4.803
   45   1HG   ARG   7          2HG       ARG   7  -7.498   1.018   4.665
   46   2HG   ARG   7          3HG       ARG   7  -6.216   0.154   5.492
   47   1HD   ARG   7          2HD       ARG   7  -7.173   2.944   6.212
   48   2HD   ARG   7          3HD       ARG   7  -7.601   1.460   7.063
   49    HE   ARG   7           HE       ARG   7  -4.974   1.255   7.222
   50   1HH1  ARG   7          2HH2      ARG   7  -7.197   3.870   8.105
   51   2HH1  ARG   7          1HH2      ARG   7  -6.000   4.694   9.099
   52   1HH2  ARG   7          2HH1      ARG   7  -3.521   2.240   8.676
   53   2HH2  ARG   7          1HH1      ARG   7  -3.981   3.657   9.572
   54    H    CYS   8           HN       CYS   8  -3.598   3.907   4.222
   55    HA   CYS   8           HA       CYS   8  -4.411   5.467   6.541
   56   1HB   CYS   8          2HB       CYS   8  -2.008   5.588   6.959
   57   2HB   CYS   8          3HB       CYS   8  -2.481   3.922   6.580
   58    H    GLY   9           HN       GLY   9  -3.431   6.181   3.232
   59   1HA   GLY   9          1HA       GLY   9  -3.734   8.269   2.157
   60   2HA   GLY   9          2HA       GLY   9  -3.779   9.093   3.719
   61    H    LYS  10           HN       LYS  10  -1.168   6.733   3.279
   62    HA   LYS  10           HA       LYS  10   0.686   8.935   2.567
   63   1HB   LYS  10          2HB       LYS  10   1.450   6.384   4.017
   64   2HB   LYS  10          3HB       LYS  10   2.404   7.850   3.774
   65   1HG   LYS  10          2HG       LYS  10   0.424   9.009   5.016
   66   2HG   LYS  10          3HG       LYS  10  -0.008   7.401   5.567
   67   1HD   LYS  10          2HD       LYS  10   2.213   7.109   6.583
   68   2HD   LYS  10          3HD       LYS  10   2.704   8.724   6.032
   69   1HE   LYS  10          2HE       LYS  10   0.368   8.095   7.897
   70   2HE   LYS  10          3HE       LYS  10   1.954   8.683   8.411
   71   1HZ   LYS  10          3HZ       LYS  10   1.554  10.700   7.153
   72   2HZ   LYS  10          1HZ       LYS  10   0.069  10.185   6.684
   73   3HZ   LYS  10          2HZ       LYS  10   0.379  10.439   8.284
   74    H    ILE  11           HN       ILE  11   2.508   8.458   1.258
   75    HA   ILE  11           HA       ILE  11   2.003   6.969  -1.105
   76    HB   ILE  11           HB       ILE  11   3.518   8.978  -0.707
   77   1HG1  ILE  11          2HG1      ILE  11   4.632   6.643  -2.281
   78   2HG1  ILE  11          3HG1      ILE  11   3.393   7.780  -2.824
   79   1HG2  ILE  11          3HG2      ILE  11   4.778   8.007   1.237
   80   2HG2  ILE  11          1HG2      ILE  11   5.575   6.890   0.107
   81   3HG2  ILE  11          2HG2      ILE  11   5.823   8.633  -0.042
   82   1HD1  ILE  11          3HD1      ILE  11   5.131   9.633  -2.444
   83   2HD1  ILE  11          1HD1      ILE  11   6.332   8.331  -2.319
   84   3HD1  ILE  11          2HD1      ILE  11   5.395   8.539  -3.809
   85    H    VAL  12           HN       VAL  12   3.147   5.052  -1.871
   86    HA   VAL  12           HA       VAL  12   3.618   3.032   0.267
   87    HB   VAL  12           HB       VAL  12   2.973   2.829  -2.695
   88   1HG1  VAL  12          2HG1      VAL  12   3.179   0.589  -0.641
   89   2HG1  VAL  12          3HG1      VAL  12   2.516   0.413  -2.272
   90   3HG1  VAL  12          1HG1      VAL  12   4.215   0.802  -2.076
   91   1HG2  VAL  12          3HG2      VAL  12   1.073   3.623  -1.329
   92   2HG2  VAL  12          1HG2      VAL  12   0.764   1.997  -1.927
   93   3HG2  VAL  12          2HG2      VAL  12   1.259   2.234  -0.238
   94    H    TYR  13           HN       TYR  13   5.448   1.403  -0.270
   95    HA   TYR  13           HA       TYR  13   7.817   2.795  -1.387
   96   1HB   TYR  13          2HB       TYR  13   7.372   1.774   1.457
   97   2HB   TYR  13          3HB       TYR  13   8.953   2.051   0.787
   98    HD1  TYR  13           HD2      TYR  13   5.859   3.725   1.953
   99    HD2  TYR  13           HD1      TYR  13   9.902   4.259   0.530
  100    HE1  TYR  13           HE2      TYR  13   5.829   6.034   2.775
  101    HE2  TYR  13           HE1      TYR  13   9.869   6.592   1.311
  102    HH   TYR  13           HH       TYR  13   8.757   8.128   2.626
  103    HA   PRO  14           HA       PRO  14   8.673  -1.220  -2.809
  104   1HB   PRO  14          2HB       PRO  14  11.464  -1.520  -2.472
  105   2HB   PRO  14          3HB       PRO  14  10.678  -0.627  -3.799
  106   1HG   PRO  14          2HG       PRO  14  11.784   0.453  -1.240
  107   2HG   PRO  14          3HG       PRO  14  11.948   1.125  -2.891
  108   1HD   PRO  14          2HD       PRO  14  10.144   2.153  -1.159
  109   2HD   PRO  14          3HD       PRO  14   9.698   1.920  -2.870
  110    H    THR  15           HN       THR  15  10.253  -0.701   0.439
  111    HA   THR  15           HA       THR  15  10.049  -3.556   0.960
  112    HB   THR  15           HB       THR  15  10.671  -1.653   3.168
  113    HG1  THR  15          1HG       THR  15  12.748  -1.264   2.375
  114   1HG2  THR  15          2HG2      THR  15  10.963  -4.117   3.377
  115   2HG2  THR  15          3HG2      THR  15  12.122  -4.093   2.034
  116   3HG2  THR  15          1HG2      THR  15  12.502  -3.263   3.559
  117    H    GLU  16           HN       GLU  16   7.647  -1.243   0.895
  118    HA   GLU  16           HA       GLU  16   6.027  -2.699   2.853
  119   1HB   GLU  16          2HB       GLU  16   7.083  -0.790   4.104
  120   2HB   GLU  16          3HB       GLU  16   6.360   0.308   2.932
  121   1HG   GLU  16          2HG       GLU  16   4.835   0.422   4.666
  122   2HG   GLU  16          3HG       GLU  16   4.101  -0.828   3.674
  123    H    LYS  17           HN       LYS  17   6.098  -3.040   0.223
  124    HA   LYS  17           HA       LYS  17   3.752  -1.713  -0.975
  125   1HB   LYS  17          2HB       LYS  17   4.323  -3.183  -2.902
  126   2HB   LYS  17          3HB       LYS  17   5.711  -2.230  -2.366
  127   1HG   LYS  17          2HG       LYS  17   6.468  -4.286  -1.017
  128   2HG   LYS  17          3HG       LYS  17   5.171  -5.185  -1.818
  129   1HD   LYS  17          2HD       LYS  17   6.207  -4.783  -3.985
  130   2HD   LYS  17          3HD       LYS  17   7.380  -3.682  -3.274
  131   1HE   LYS  17          2HE       LYS  17   8.445  -5.845  -3.653
  132   2HE   LYS  17          3HE       LYS  17   8.352  -5.500  -1.919
  133   1HZ   LYS  17          2HZ       LYS  17   6.410  -7.205  -3.347
  134   2HZ   LYS  17          3HZ       LYS  17   7.728  -7.805  -2.603
  135   3HZ   LYS  17          1HZ       LYS  17   6.579  -7.044  -1.706
  136    H    VAL  18           HN       VAL  18   2.056  -3.259  -1.926
  137    HA   VAL  18           HA       VAL  18   1.877  -5.882  -1.008
  138    HB   VAL  18           HB       VAL  18  -0.411  -3.954  -0.378
  139   1HG1  VAL  18          1HG1      VAL  18  -0.272  -6.970   0.013
  140   2HG1  VAL  18          2HG1      VAL  18  -1.581  -5.929   0.600
  141   3HG1  VAL  18          3HG1      VAL  18  -1.320  -6.096  -1.125
  142   1HG2  VAL  18          2HG2      VAL  18   1.273  -5.563   1.581
  143   2HG2  VAL  18          3HG2      VAL  18   1.212  -3.794   1.425
  144   3HG2  VAL  18          1HG2      VAL  18  -0.204  -4.672   2.001
  145    H    ASN  19           HN       ASN  19   0.770  -7.031  -2.655
  146    HA   ASN  19           HA       ASN  19  -1.025  -5.577  -4.496
  147   1HB   ASN  19          2HB       ASN  19   1.000  -5.940  -5.798
  148   2HB   ASN  19          3HB       ASN  19   1.049  -7.637  -5.343
  149   1HD2  ASN  19          2HD2      ASN  19  -1.708  -8.613  -7.505
  150   2HD2  ASN  19          1HD2      ASN  19  -1.008  -8.945  -5.927
  151    H    CYS  20           HN       CYS  20  -2.882  -6.364  -3.646
  152    HA   CYS  20           HA       CYS  20  -3.238  -9.308  -3.337
  153   1HB   CYS  20          2HB       CYS  20  -4.521  -8.810  -1.267
  154   2HB   CYS  20          3HB       CYS  20  -2.820  -8.329  -1.110
  155    HG   CYS  20           HG       CYS  20  -5.494  -6.550  -1.844
  156    H    LEU  21           HN       LEU  21  -3.860  -7.275  -5.407
  157    HA   LEU  21           HA       LEU  21  -6.360  -7.453  -6.397
  158   1HB   LEU  21          2HB       LEU  21  -6.295  -5.767  -3.970
  159   2HB   LEU  21          3HB       LEU  21  -6.526  -4.749  -5.367
  160    HG   LEU  21           HG       LEU  21  -8.258  -7.150  -4.649
  161   1HD1  LEU  21          3HD1      LEU  21  -8.520  -5.202  -3.128
  162   2HD1  LEU  21          1HD1      LEU  21  -8.831  -4.154  -4.524
  163   3HD1  LEU  21          2HD1      LEU  21  -9.960  -5.459  -4.117
  164   1HD2  LEU  21          2HD2      LEU  21  -8.482  -5.106  -6.908
  165   2HD2  LEU  21          3HD2      LEU  21  -8.316  -6.868  -7.083
  166   3HD2  LEU  21          1HD2      LEU  21  -9.793  -6.184  -6.414
  167    H    ASP  22           HN       ASP  22  -6.495  -5.190  -7.724
  168    HA   ASP  22           HA       ASP  22  -3.880  -4.797  -9.000
  169   1HB   ASP  22          2HB       ASP  22  -5.070  -3.786 -10.742
  170   2HB   ASP  22          3HB       ASP  22  -6.149  -5.070 -10.208
  171    H    LYS  23           HN       LYS  23  -4.490  -3.794  -6.201
  172    HA   LYS  23           HA       LYS  23  -4.078  -0.857  -6.508
  173   1HB   LYS  23          2HB       LYS  23  -5.553  -2.271  -4.237
  174   2HB   LYS  23          3HB       LYS  23  -5.334  -0.535  -4.425
  175   1HG   LYS  23          2HG       LYS  23  -7.055  -2.352  -6.169
  176   2HG   LYS  23          3HG       LYS  23  -7.613  -1.177  -4.980
  177   1HD   LYS  23          2HD       LYS  23  -6.632   0.671  -6.329
  178   2HD   LYS  23          3HD       LYS  23  -6.036  -0.502  -7.497
  179   1HE   LYS  23          2HE       LYS  23  -7.995   0.477  -8.406
  180   2HE   LYS  23          3HE       LYS  23  -8.349  -1.207  -8.022
  181   1HZ   LYS  23          3HZ       LYS  23  -9.045   1.044  -6.232
  182   2HZ   LYS  23          1HZ       LYS  23 -10.050   0.476  -7.378
  183   3HZ   LYS  23          2HZ       LYS  23  -9.595  -0.503  -6.133
  184    H    PHE  24           HN       PHE  24  -2.987   0.032  -4.461
  185    HA   PHE  24           HA       PHE  24  -0.876  -1.881  -3.570
  186   1HB   PHE  24          2HB       PHE  24  -0.709   1.089  -4.198
  187   2HB   PHE  24          3HB       PHE  24   0.580   0.123  -3.501
  188    HD1  PHE  24          1HD       PHE  24  -1.526   0.524  -6.583
  189    HD2  PHE  24          2HD       PHE  24   2.051  -1.187  -4.870
  190    HE1  PHE  24          1HE       PHE  24  -0.735  -0.068  -8.838
  191    HE2  PHE  24          2HE       PHE  24   2.854  -1.743  -7.155
  192    HZ   PHE  24           HZ       PHE  24   1.471  -1.173  -9.136
  193    H    TRP  25           HN       TRP  25  -0.338  -1.840  -1.392
  194    HA   TRP  25           HA       TRP  25  -1.626   0.146   0.357
  195   1HB   TRP  25          2HB       TRP  25  -1.647  -2.808   1.077
  196   2HB   TRP  25          3HB       TRP  25  -2.480  -1.485   1.866
  197    HD1  TRP  25           HD1      TRP  25  -2.800  -3.938  -0.985
  198    HE1  TRP  25           HE1      TRP  25  -5.091  -3.738  -2.109
  199    HE3  TRP  25           HE3      TRP  25  -4.527   0.123   1.504
  200    HZ2  TRP  25           HZ2      TRP  25  -7.233  -1.767  -2.230
  201    HZ3  TRP  25           HZ3      TRP  25  -6.777   1.094   0.949
  202    HH2  TRP  25           HH2      TRP  25  -8.070   0.209  -0.976
  203    H    HIS  26           HN       HIS  26  -0.635  -0.240   2.589
  204    HA   HIS  26           HA       HIS  26   2.248  -1.016   2.432
  205   1HB   HIS  26          2HB       HIS  26   0.626   0.139   4.734
  206   2HB   HIS  26          3HB       HIS  26   2.303  -0.266   4.819
  207    HD2  HIS  26           HD2      HIS  26   3.873   1.204   2.735
  208    HE1  HIS  26           HE1      HIS  26   1.322   4.574   3.074
  209    HE2  HIS  26           HE2      HIS  26   3.564   3.810   2.296
  210    H    LYS  27           HN       LYS  27   2.925  -2.682   4.086
  211    HA   LYS  27           HA       LYS  27   1.409  -4.991   4.216
  212   1HB   LYS  27          2HB       LYS  27   3.801  -4.807   4.747
  213   2HB   LYS  27          3HB       LYS  27   3.449  -3.940   6.234
  214   1HG   LYS  27          2HG       LYS  27   2.530  -6.794   5.703
  215   2HG   LYS  27          3HG       LYS  27   4.075  -6.369   6.438
  216   1HD   LYS  27          2HD       LYS  27   2.727  -5.095   8.249
  217   2HD   LYS  27          3HD       LYS  27   1.303  -5.906   7.585
  218   1HE   LYS  27          2HE       LYS  27   1.891  -7.344   9.283
  219   2HE   LYS  27          3HE       LYS  27   2.595  -8.096   7.849
  220   1HZ   LYS  27          3HZ       LYS  27   4.646  -6.652   8.635
  221   2HZ   LYS  27          1HZ       LYS  27   3.914  -6.802  10.095
  222   3HZ   LYS  27          2HZ       LYS  27   4.325  -8.161   9.276
  223    H    ALA  28           HN       ALA  28   1.780  -2.609   6.858
  224    HA   ALA  28           HA       ALA  28  -0.205  -3.779   8.515
  225   1HB   ALA  28          3HB       ALA  28   1.631  -2.339   9.325
  226   2HB   ALA  28          1HB       ALA  28   0.901  -0.944   8.488
  227   3HB   ALA  28          2HB       ALA  28   0.057  -1.714   9.848
  228    H    CYS  29           HN       CYS  29  -0.813  -2.060   5.637
  229    HA   CYS  29           HA       CYS  29  -3.341  -0.843   6.646
  230   1HB   CYS  29          2HB       CYS  29  -1.571  -0.167   4.281
  231   2HB   CYS  29          3HB       CYS  29  -3.084   0.598   4.662
  232    H    PHE  30           HN       PHE  30  -2.174  -3.457   4.631
  233    HA   PHE  30           HA       PHE  30  -4.698  -3.574   3.142
  234   1HB   PHE  30          2HB       PHE  30  -2.760  -4.748   2.255
  235   2HB   PHE  30          3HB       PHE  30  -2.647  -5.732   3.713
  236    HD1  PHE  30          1HD       PHE  30  -6.044  -4.979   2.266
  237    HD2  PHE  30          2HD       PHE  30  -2.745  -7.793   2.359
  238    HE1  PHE  30          1HE       PHE  30  -7.457  -6.680   1.246
  239    HE2  PHE  30          2HE       PHE  30  -4.179  -9.467   1.265
  240    HZ   PHE  30           HZ       PHE  30  -6.545  -8.895   0.635
   
  No H/Q in entry =         240
  Start of MODEL    4
    1   1H    ACE   0          1HC       ACE   0   9.137   8.413  -9.515
    2   2H    ACE   0          2HC       ACE   0   8.823   8.315 -11.260
    3   3H    ACE   0          3HC       ACE   0   8.429   9.790 -10.359
    4    H    MET   1           HN       MET   1   6.605   9.821  -8.999
    5    HA   MET   1           HA       MET   1   4.632   9.327  -8.107
    6   1HB   MET   1          2HB       MET   1   4.187   7.825 -10.700
    7   2HB   MET   1          3HB       MET   1   2.958   8.020  -9.467
    8   1HG   MET   1          2HG       MET   1   4.323  10.269 -10.979
    9   2HG   MET   1          3HG       MET   1   2.688   9.672 -11.237
   10   1HE   MET   1          3HE       MET   1   0.711   9.870  -9.407
   11   2HE   MET   1          1HE       MET   1   1.723   9.289  -8.059
   12   3HE   MET   1          2HE       MET   1   0.858  10.828  -7.922
   13    H    ASN   2           HN       ASN   2   5.686   8.299  -6.377
   14    HA   ASN   2           HA       ASN   2   5.368   5.349  -6.242
   15   1HB   ASN   2          2HB       ASN   2   6.149   7.466  -4.187
   16   2HB   ASN   2          3HB       ASN   2   5.693   5.842  -3.731
   17   1HD2  ASN   2          2HD2      ASN   2   9.491   6.312  -4.640
   18   2HD2  ASN   2          1HD2      ASN   2   8.450   7.635  -4.173
   19    HA   PRO   3           HA       PRO   3   1.091   6.325  -5.729
   20   1HB   PRO   3          2HB       PRO   3   0.055   3.899  -4.953
   21   2HB   PRO   3          3HB       PRO   3   0.705   4.201  -6.592
   22   1HG   PRO   3          2HG       PRO   3   2.088   2.871  -4.275
   23   2HG   PRO   3          3HG       PRO   3   2.034   2.355  -5.981
   24   1HD   PRO   3          2HD       PRO   3   4.143   3.747  -4.950
   25   2HD   PRO   3          3HD       PRO   3   3.606   3.932  -6.651
   26    H    ASN   4           HN       ASN   4  -0.704   6.186  -4.043
   27    HA   ASN   4           HA       ASN   4   0.426   6.409  -1.283
   28   1HB   ASN   4          2HB       ASN   4  -1.978   7.752  -2.561
   29   2HB   ASN   4          3HB       ASN   4  -1.731   7.655  -0.818
   30   1HD2  ASN   4          2HD2      ASN   4   0.566  10.270  -2.985
   31   2HD2  ASN   4          1HD2      ASN   4  -0.584   9.245  -3.795
   32    H    CYS   5           HN       CYS   5  -0.485   5.245   0.287
   33    HA   CYS   5           HA       CYS   5  -1.657   2.723  -0.177
   34   1HB   CYS   5          2HB       CYS   5  -0.296   3.244   1.688
   35   2HB   CYS   5          3HB       CYS   5  -1.329   4.580   2.206
   36    H    ALA   6           HN       ALA   6  -3.705   2.132  -0.430
   37    HA   ALA   6           HA       ALA   6  -5.808   4.005  -0.904
   38   1HB   ALA   6          1HB       ALA   6  -5.879   1.012  -0.340
   39   2HB   ALA   6          2HB       ALA   6  -7.225   1.952  -1.008
   40   3HB   ALA   6          3HB       ALA   6  -5.720   1.756  -1.931
   41    H    ARG   7           HN       ARG   7  -4.651   2.664   2.129
   42    HA   ARG   7           HA       ARG   7  -7.350   3.093   3.349
   43   1HB   ARG   7          2HB       ARG   7  -6.287   0.754   2.815
   44   2HB   ARG   7          3HB       ARG   7  -5.489   0.976   4.350
   45   1HG   ARG   7          2HG       ARG   7  -8.494   1.316   4.149
   46   2HG   ARG   7          3HG       ARG   7  -7.780  -0.290   4.083
   47   1HD   ARG   7          2HD       ARG   7  -6.578   0.184   6.256
   48   2HD   ARG   7          3HD       ARG   7  -7.503   1.683   6.378
   49    HE   ARG   7           HE       ARG   7  -9.382   0.514   6.957
   50   1HH1  ARG   7          2HH2      ARG   7  -6.986  -1.873   5.763
   51   2HH1  ARG   7          1HH2      ARG   7  -8.028  -3.216   6.151
   52   1HH2  ARG   7          2HH1      ARG   7 -10.591  -1.217   7.526
   53   2HH2  ARG   7          1HH1      ARG   7 -10.035  -2.866   7.392
   54    H    CYS   8           HN       CYS   8  -3.930   3.900   3.736
   55    HA   CYS   8           HA       CYS   8  -4.798   5.293   6.246
   56   1HB   CYS   8          2HB       CYS   8  -2.575   5.564   6.862
   57   2HB   CYS   8          3HB       CYS   8  -2.794   3.851   6.455
   58    H    GLY   9           HN       GLY   9  -2.821   5.788   3.358
   59   1HA   GLY   9          1HA       GLY   9  -3.766   7.507   1.708
   60   2HA   GLY   9          2HA       GLY   9  -3.791   8.601   3.098
   61    H    LYS  10           HN       LYS  10  -1.068   6.716   3.630
   62    HA   LYS  10           HA       LYS  10   0.606   8.913   2.757
   63   1HB   LYS  10          2HB       LYS  10   1.198   6.342   4.283
   64   2HB   LYS  10          3HB       LYS  10   2.309   7.683   4.020
   65   1HG   LYS  10          2HG       LYS  10   0.505   9.187   5.103
   66   2HG   LYS  10          3HG       LYS  10  -0.315   7.708   5.558
   67   1HD   LYS  10          2HD       LYS  10   0.862   8.251   7.444
   68   2HD   LYS  10          3HD       LYS  10   1.820   6.969   6.722
   69   1HE   LYS  10          2HE       LYS  10   2.428   9.971   6.630
   70   2HE   LYS  10          3HE       LYS  10   3.146   8.808   7.728
   71   1HZ   LYS  10          1HZ       LYS  10   3.990   7.658   5.627
   72   2HZ   LYS  10          2HZ       LYS  10   3.623   9.069   4.855
   73   3HZ   LYS  10          3HZ       LYS  10   4.711   9.046   6.087
   74    H    ILE  11           HN       ILE  11   2.628   8.631   1.635
   75    HA   ILE  11           HA       ILE  11   2.495   7.231  -0.761
   76    HB   ILE  11           HB       ILE  11   3.847   9.284  -0.051
   77   1HG1  ILE  11          2HG1      ILE  11   5.280   7.261  -1.804
   78   2HG1  ILE  11          3HG1      ILE  11   3.872   8.214  -2.304
   79   1HG2  ILE  11          1HG2      ILE  11   5.093   8.096   1.818
   80   2HG2  ILE  11          2HG2      ILE  11   6.001   7.228   0.552
   81   3HG2  ILE  11          3HG2      ILE  11   6.129   8.977   0.691
   82   1HD1  ILE  11          2HD1      ILE  11   5.143  10.316  -1.819
   83   2HD1  ILE  11          3HD1      ILE  11   6.594   9.326  -1.493
   84   3HD1  ILE  11          1HD1      ILE  11   5.864   9.338  -3.092
   85    H    VAL  12           HN       VAL  12   3.539   5.381  -1.573
   86    HA   VAL  12           HA       VAL  12   4.196   3.263   0.392
   87    HB   VAL  12           HB       VAL  12   3.252   3.205  -2.484
   88   1HG1  VAL  12          3HG1      VAL  12   3.649   0.877  -0.557
   89   2HG1  VAL  12          1HG1      VAL  12   2.753   0.775  -2.080
   90   3HG1  VAL  12          2HG1      VAL  12   4.469   1.129  -2.123
   91   1HG2  VAL  12          3HG2      VAL  12   1.491   3.971  -0.876
   92   2HG2  VAL  12          1HG2      VAL  12   1.102   2.405  -1.565
   93   3HG2  VAL  12          2HG2      VAL  12   1.745   2.497   0.081
   94    H    TYR  13           HN       TYR  13   5.841   1.611  -0.523
   95    HA   TYR  13           HA       TYR  13   8.151   2.894  -1.805
   96   1HB   TYR  13          2HB       TYR  13   8.009   1.749   1.029
   97   2HB   TYR  13          3HB       TYR  13   9.519   1.924   0.163
   98    HD1  TYR  13           HD1      TYR  13   6.740   3.802   1.772
   99    HD2  TYR  13           HD2      TYR  13  10.583   4.043  -0.153
  100    HE1  TYR  13           HE1      TYR  13   6.967   6.153   2.521
  101    HE2  TYR  13           HE2      TYR  13  10.822   6.391   0.576
  102    HH   TYR  13           HH       TYR  13   9.971   7.936   2.170
  103    HA   PRO  14           HA       PRO  14   8.479  -1.162  -3.502
  104   1HB   PRO  14          2HB       PRO  14  11.196  -1.736  -3.447
  105   2HB   PRO  14          3HB       PRO  14  10.366  -0.710  -4.655
  106   1HG   PRO  14          2HG       PRO  14  11.857   0.155  -2.165
  107   2HG   PRO  14          3HG       PRO  14  11.934   0.863  -3.812
  108   1HD   PRO  14          2HD       PRO  14  10.422   1.999  -1.890
  109   2HD   PRO  14          3HD       PRO  14   9.804   1.888  -3.564
  110    H    THR  15           HN       THR  15  10.180  -0.702  -0.376
  111    HA   THR  15           HA       THR  15  10.379  -3.367   0.410
  112    HB   THR  15           HB       THR  15   9.816  -0.978   2.208
  113    HG1  THR  15          1HG       THR  15  11.902  -0.385   1.992
  114   1HG2  THR  15          3HG2      THR  15  11.598  -3.435   2.498
  115   2HG2  THR  15          1HG2      THR  15  11.611  -2.056   3.622
  116   3HG2  THR  15          2HG2      THR  15  10.156  -3.039   3.456
  117    H    GLU  16           HN       GLU  16   7.435  -1.534  -0.065
  118    HA   GLU  16           HA       GLU  16   5.880  -3.481   1.485
  119   1HB   GLU  16          2HB       GLU  16   6.608  -1.313   2.810
  120   2HB   GLU  16          3HB       GLU  16   5.482  -0.477   1.750
  121   1HG   GLU  16          2HG       GLU  16   4.322  -1.024   3.761
  122   2HG   GLU  16          3HG       GLU  16   3.765  -2.253   2.623
  123    H    LYS  17           HN       LYS  17   6.118  -3.574  -1.252
  124    HA   LYS  17           HA       LYS  17   3.881  -2.169  -2.550
  125   1HB   LYS  17          2HB       LYS  17   5.803  -4.378  -3.403
  126   2HB   LYS  17          3HB       LYS  17   4.426  -3.900  -4.398
  127   1HG   LYS  17          2HG       LYS  17   5.241  -1.723  -4.780
  128   2HG   LYS  17          3HG       LYS  17   6.443  -1.857  -3.495
  129   1HD   LYS  17          2HD       LYS  17   7.517  -2.070  -5.702
  130   2HD   LYS  17          3HD       LYS  17   7.705  -3.516  -4.731
  131   1HE   LYS  17          2HE       LYS  17   7.290  -4.127  -7.029
  132   2HE   LYS  17          3HE       LYS  17   5.939  -4.666  -6.037
  133   1HZ   LYS  17          2HZ       LYS  17   5.541  -2.054  -7.196
  134   2HZ   LYS  17          3HZ       LYS  17   5.740  -3.223  -8.313
  135   3HZ   LYS  17          1HZ       LYS  17   4.556  -3.403  -7.211
  136    H    VAL  18           HN       VAL  18   2.817  -3.148  -0.322
  137    HA   VAL  18           HA       VAL  18   1.782  -5.734  -0.473
  138    HB   VAL  18           HB       VAL  18   0.730  -3.250   0.930
  139   1HG1  VAL  18          1HG1      VAL  18  -0.097  -6.174   1.325
  140   2HG1  VAL  18          2HG1      VAL  18  -0.610  -4.794   2.321
  141   3HG1  VAL  18          3HG1      VAL  18  -1.122  -4.913   0.629
  142   1HG2  VAL  18          3HG2      VAL  18   2.266  -5.692   1.917
  143   2HG2  VAL  18          1HG2      VAL  18   2.927  -4.066   1.739
  144   3HG2  VAL  18          2HG2      VAL  18   1.662  -4.388   2.938
  145    H    ASN  19           HN       ASN  19   0.684  -6.432  -2.137
  146    HA   ASN  19           HA       ASN  19  -1.708  -5.071  -3.161
  147   1HB   ASN  19          2HB       ASN  19  -0.042  -4.554  -4.866
  148   2HB   ASN  19          3HB       ASN  19   0.607  -6.196  -4.810
  149   1HD2  ASN  19          2HD2      ASN  19  -2.214  -5.527  -7.490
  150   2HD2  ASN  19          1HD2      ASN  19  -1.332  -4.221  -6.703
  151    H    CYS  20           HN       CYS  20  -3.323  -6.686  -3.215
  152    HA   CYS  20           HA       CYS  20  -2.487  -9.421  -3.800
  153   1HB   CYS  20          2HB       CYS  20  -2.706  -9.171  -1.227
  154   2HB   CYS  20          3HB       CYS  20  -4.447  -8.978  -1.535
  155    HG   CYS  20           HG       CYS  20  -4.689 -11.193  -2.921
  156    H    LEU  21           HN       LEU  21  -3.653  -7.199  -5.225
  157    HA   LEU  21           HA       LEU  21  -5.981  -8.375  -6.393
  158   1HB   LEU  21          2HB       LEU  21  -6.301  -5.748  -4.869
  159   2HB   LEU  21          3HB       LEU  21  -7.332  -6.205  -6.216
  160    HG   LEU  21           HG       LEU  21  -7.139  -7.725  -3.599
  161   1HD1  LEU  21          1HD1      LEU  21  -8.188  -5.492  -3.394
  162   2HD1  LEU  21          2HD1      LEU  21  -9.327  -5.922  -4.690
  163   3HD1  LEU  21          3HD1      LEU  21  -9.345  -6.806  -3.153
  164   1HD2  LEU  21          1HD2      LEU  21  -9.003  -8.102  -5.999
  165   2HD2  LEU  21          2HD2      LEU  21  -7.775  -9.259  -5.436
  166   3HD2  LEU  21          3HD2      LEU  21  -9.179  -8.907  -4.427
  167    H    ASP  22           HN       ASP  22  -5.548  -4.931  -6.495
  168    HA   ASP  22           HA       ASP  22  -3.740  -4.932  -8.836
  169   1HB   ASP  22          2HB       ASP  22  -5.396  -3.775 -10.094
  170   2HB   ASP  22          3HB       ASP  22  -6.233  -5.166  -9.420
  171    H    LYS  23           HN       LYS  23  -3.964  -3.744  -5.799
  172    HA   LYS  23           HA       LYS  23  -3.090  -1.056  -6.523
  173   1HB   LYS  23          2HB       LYS  23  -4.729  -0.022  -4.833
  174   2HB   LYS  23          3HB       LYS  23  -5.309  -0.479  -6.392
  175   1HG   LYS  23          2HG       LYS  23  -6.288  -2.592  -5.389
  176   2HG   LYS  23          3HG       LYS  23  -5.615  -2.123  -3.836
  177   1HD   LYS  23          2HD       LYS  23  -8.001  -1.632  -3.979
  178   2HD   LYS  23          3HD       LYS  23  -7.051  -0.178  -3.739
  179   1HE   LYS  23          2HE       LYS  23  -8.810   0.313  -5.316
  180   2HE   LYS  23          3HE       LYS  23  -7.261   0.389  -6.153
  181   1HZ   LYS  23          2HZ       LYS  23  -7.781  -1.857  -7.068
  182   2HZ   LYS  23          3HZ       LYS  23  -9.229  -1.828  -6.321
  183   3HZ   LYS  23          1HZ       LYS  23  -8.879  -0.708  -7.468
  184    H    PHE  24           HN       PHE  24  -2.856   0.146  -4.450
  185    HA   PHE  24           HA       PHE  24  -0.796  -1.492  -3.032
  186   1HB   PHE  24          2HB       PHE  24  -0.763   1.442  -3.824
  187   2HB   PHE  24          3HB       PHE  24   0.487   0.629  -2.892
  188    HD1  PHE  24           HD1      PHE  24   1.653  -1.431  -3.892
  189    HD2  PHE  24           HD2      PHE  24  -0.682   1.346  -6.240
  190    HE1  PHE  24           HE1      PHE  24   2.787  -2.210  -5.947
  191    HE2  PHE  24           HE2      PHE  24   0.483   0.589  -8.286
  192    HZ   PHE  24           HZ       PHE  24   2.221  -1.191  -8.151
  193    H    TRP  25           HN       TRP  25  -0.436  -1.354  -0.948
  194    HA   TRP  25           HA       TRP  25  -2.047   0.373   0.848
  195   1HB   TRP  25          2HB       TRP  25  -1.496  -2.580   1.314
  196   2HB   TRP  25          3HB       TRP  25  -2.640  -1.548   2.150
  197    HD1  TRP  25           HD1      TRP  25  -2.249  -3.741  -0.869
  198    HE1  TRP  25           HE1      TRP  25  -4.455  -4.097  -2.096
  199    HE3  TRP  25           HE3      TRP  25  -5.058  -0.874   2.030
  200    HZ2  TRP  25           HZ2      TRP  25  -7.162  -2.996  -1.951
  201    HZ3  TRP  25           HZ3      TRP  25  -7.562  -0.512   1.526
  202    HH2  TRP  25           HH2      TRP  25  -8.538  -1.513  -0.513
  203    H    HIS  26           HN       HIS  26  -0.933  -0.866   3.149
  204    HA   HIS  26           HA       HIS  26   1.918  -1.234   2.754
  205   1HB   HIS  26          2HB       HIS  26   0.880   0.331   5.147
  206   2HB   HIS  26          3HB       HIS  26   2.531  -0.195   4.904
  207    HD2  HIS  26           HD2      HIS  26   4.004   1.114   2.937
  208    HE1  HIS  26           HE1      HIS  26   1.414   4.499   2.933
  209    HE2  HIS  26           HE2      HIS  26   3.682   3.658   2.206
  210    H    LYS  27           HN       LYS  27   2.679  -2.416   4.896
  211    HA   LYS  27           HA       LYS  27   1.218  -4.742   5.184
  212   1HB   LYS  27          2HB       LYS  27   3.634  -3.943   6.019
  213   2HB   LYS  27          3HB       LYS  27   2.818  -3.743   7.549
  214   1HG   LYS  27          2HG       LYS  27   3.922  -5.854   7.424
  215   2HG   LYS  27          3HG       LYS  27   2.186  -6.160   7.481
  216   1HD   LYS  27          2HD       LYS  27   2.128  -6.743   5.142
  217   2HD   LYS  27          3HD       LYS  27   3.739  -6.087   4.860
  218   1HE   LYS  27          2HE       LYS  27   3.110  -8.530   6.578
  219   2HE   LYS  27          3HE       LYS  27   3.673  -8.562   4.904
  220   1HZ   LYS  27          1HZ       LYS  27   5.670  -7.285   5.750
  221   2HZ   LYS  27          2HZ       LYS  27   5.203  -7.721   7.272
  222   3HZ   LYS  27          3HZ       LYS  27   5.555  -8.861   6.145
  223    H    ALA  28           HN       ALA  28   0.912  -1.828   7.236
  224    HA   ALA  28           HA       ALA  28  -0.987  -3.125   9.014
  225   1HB   ALA  28          3HB       ALA  28   0.539  -1.343   9.781
  226   2HB   ALA  28          1HB       ALA  28  -0.274  -0.181   8.694
  227   3HB   ALA  28          2HB       ALA  28  -1.155  -0.924  10.046
  228    H    CYS  29           HN       CYS  29  -1.359  -1.804   5.868
  229    HA   CYS  29           HA       CYS  29  -3.968  -0.588   6.492
  230   1HB   CYS  29          2HB       CYS  29  -2.119  -0.170   4.132
  231   2HB   CYS  29          3HB       CYS  29  -3.491   0.820   4.593
  232    H    PHE  30           HN       PHE  30  -2.584  -3.167   4.450
  233    HA   PHE  30           HA       PHE  30  -4.959  -3.407   2.812
  234   1HB   PHE  30          2HB       PHE  30  -2.888  -4.331   2.019
  235   2HB   PHE  30          3HB       PHE  30  -2.817  -5.462   3.364
  236    HD1  PHE  30           HD1      PHE  30  -5.868  -4.531   1.279
  237    HD2  PHE  30           HD2      PHE  30  -2.917  -7.559   2.220
  238    HE1  PHE  30           HE1      PHE  30  -7.211  -6.202   0.099
  239    HE2  PHE  30           HE2      PHE  30  -4.267  -9.213   0.976
  240    HZ   PHE  30           HZ       PHE  30  -6.432  -8.556  -0.059
   
  No H/Q in entry =         240
  Start of MODEL    5
    1   1H    ACE   0          1HC       ACE   0   9.701   8.304 -10.878
    2   2H    ACE   0          2HC       ACE   0  10.745   9.609 -10.287
    3   3H    ACE   0          3HC       ACE   0  10.766   8.033  -9.475
    4    H    MET   1           HN       MET   1   7.997   7.511  -9.344
    5    HA   MET   1           HA       MET   1   7.157   9.396  -7.255
    6   1HB   MET   1          2HB       MET   1   4.892   9.668  -8.156
    7   2HB   MET   1          3HB       MET   1   6.122  10.390  -9.179
    8   1HG   MET   1          2HG       MET   1   5.927   7.964 -10.397
    9   2HG   MET   1          3HG       MET   1   4.333   8.026  -9.659
   10   1HE   MET   1          3HE       MET   1   6.902   9.390 -12.065
   11   2HE   MET   1          1HE       MET   1   6.114  10.699 -12.960
   12   3HE   MET   1          2HE       MET   1   6.610  10.941 -11.272
   13    H    ASN   2           HN       ASN   2   6.438   8.256  -5.549
   14    HA   ASN   2           HA       ASN   2   6.052   5.339  -5.875
   15   1HB   ASN   2          2HB       ASN   2   6.431   7.198  -3.511
   16   2HB   ASN   2          3HB       ASN   2   5.769   5.598  -3.241
   17   1HD2  ASN   2          2HD2      ASN   2   9.687   5.756  -3.394
   18   2HD2  ASN   2          1HD2      ASN   2   8.666   7.101  -2.933
   19    HA   PRO   3           HA       PRO   3   1.609   5.764  -5.645
   20   1HB   PRO   3          2HB       PRO   3   0.868   3.324  -4.659
   21   2HB   PRO   3          3HB       PRO   3   1.489   3.557  -6.322
   22   1HG   PRO   3          2HG       PRO   3   3.020   2.620  -3.883
   23   2HG   PRO   3          3HG       PRO   3   3.012   1.913  -5.528
   24   1HD   PRO   3          2HD       PRO   3   4.955   3.643  -4.667
   25   2HD   PRO   3          3HD       PRO   3   4.401   3.607  -6.361
   26    H    ASN   4           HN       ASN   4  -0.180   5.404  -3.880
   27    HA   ASN   4           HA       ASN   4   0.909   5.768  -1.142
   28   1HB   ASN   4          2HB       ASN   4  -1.517   7.249  -2.224
   29   2HB   ASN   4          3HB       ASN   4  -0.931   7.259  -0.570
   30   1HD2  ASN   4          2HD2      ASN   4   0.794   9.690  -3.362
   31   2HD2  ASN   4          1HD2      ASN   4  -0.483   8.541  -3.754
   32    H    CYS   5           HN       CYS   5  -0.445   4.943   0.437
   33    HA   CYS   5           HA       CYS   5  -1.595   2.429   0.045
   34   1HB   CYS   5          2HB       CYS   5  -0.608   3.546   2.097
   35   2HB   CYS   5          3HB       CYS   5  -2.092   4.483   2.214
   36    H    ALA   6           HN       ALA   6  -3.464   1.880  -0.818
   37    HA   ALA   6           HA       ALA   6  -5.588   3.699  -1.443
   38   1HB   ALA   6          1HB       ALA   6  -5.503   0.660  -1.331
   39   2HB   ALA   6          2HB       ALA   6  -6.841   1.626  -1.991
   40   3HB   ALA   6          3HB       ALA   6  -5.235   1.691  -2.754
   41    H    ARG   7           HN       ARG   7  -4.654   2.374   1.620
   42    HA   ARG   7           HA       ARG   7  -7.434   2.823   2.619
   43   1HB   ARG   7          2HB       ARG   7  -6.183   0.759   3.459
   44   2HB   ARG   7          3HB       ARG   7  -5.122   1.876   4.330
   45   1HG   ARG   7          2HG       ARG   7  -7.301   2.938   5.269
   46   2HG   ARG   7          3HG       ARG   7  -8.134   1.535   4.585
   47   1HD   ARG   7          2HD       ARG   7  -6.631   0.074   5.999
   48   2HD   ARG   7          3HD       ARG   7  -5.934   1.537   6.688
   49    HE   ARG   7           HE       ARG   7  -7.844   1.946   7.915
   50   1HH1  ARG   7          2HH2      ARG   7  -8.527  -0.708   5.658
   51   2HH1  ARG   7          1HH2      ARG   7 -10.001  -1.171   6.396
   52   1HH2  ARG   7          2HH1      ARG   7  -9.932   1.431   8.844
   53   2HH2  ARG   7          1HH1      ARG   7 -10.862   0.156   8.160
   54    H    CYS   8           HN       CYS   8  -4.031   3.723   3.591
   55    HA   CYS   8           HA       CYS   8  -5.293   5.704   5.322
   56   1HB   CYS   8          2HB       CYS   8  -3.168   5.743   6.435
   57   2HB   CYS   8          3HB       CYS   8  -3.539   4.046   6.062
   58    H    GLY   9           HN       GLY   9  -3.771   5.785   2.215
   59   1HA   GLY   9          1HA       GLY   9  -3.393   7.528   0.790
   60   2HA   GLY   9          2HA       GLY   9  -3.919   8.674   2.025
   61    H    LYS  10           HN       LYS  10  -1.371   6.553   3.193
   62    HA   LYS  10           HA       LYS  10   0.598   8.739   2.799
   63   1HB   LYS  10          2HB       LYS  10   0.859   6.248   4.524
   64   2HB   LYS  10          3HB       LYS  10   1.937   7.631   4.463
   65   1HG   LYS  10          2HG       LYS  10  -0.463   8.883   5.035
   66   2HG   LYS  10          3HG       LYS  10  -0.738   7.316   5.769
   67   1HD   LYS  10          2HD       LYS  10   0.154   8.763   7.455
   68   2HD   LYS  10          3HD       LYS  10   1.383   7.571   7.054
   69   1HE   LYS  10          2HE       LYS  10   2.375   9.806   7.295
   70   2HE   LYS  10          3HE       LYS  10   2.567   9.232   5.638
   71   1HZ   LYS  10          3HZ       LYS  10   0.648  10.632   5.031
   72   2HZ   LYS  10          1HZ       LYS  10   0.524  11.165   6.571
   73   3HZ   LYS  10          2HZ       LYS  10   1.860  11.507   5.658
   74    H    ILE  11           HN       ILE  11   2.756   8.253   2.096
   75    HA   ILE  11           HA       ILE  11   2.778   6.956  -0.357
   76    HB   ILE  11           HB       ILE  11   4.253   8.817   0.652
   77   1HG1  ILE  11          2HG1      ILE  11   5.580   6.781  -1.168
   78   2HG1  ILE  11          3HG1      ILE  11   4.337   7.938  -1.666
   79   1HG2  ILE  11          1HG2      ILE  11   5.245   7.370   2.479
   80   2HG2  ILE  11          2HG2      ILE  11   6.157   6.512   1.209
   81   3HG2  ILE  11          3HG2      ILE  11   6.428   8.240   1.491
   82   1HD1  ILE  11          3HD1      ILE  11   5.862   9.801  -0.784
   83   2HD1  ILE  11          1HD1      ILE  11   7.139   8.564  -0.667
   84   3HD1  ILE  11          2HD1      ILE  11   6.427   8.967  -2.232
   85    H    VAL  12           HN       VAL  12   3.462   5.001  -1.160
   86    HA   VAL  12           HA       VAL  12   4.094   2.815   0.773
   87    HB   VAL  12           HB       VAL  12   2.362   2.919  -1.715
   88   1HG1  VAL  12          2HG1      VAL  12   3.754   0.879  -1.915
   89   2HG1  VAL  12          3HG1      VAL  12   3.277   0.395  -0.271
   90   3HG1  VAL  12          1HG1      VAL  12   2.068   0.485  -1.561
   91   1HG2  VAL  12          1HG2      VAL  12   1.353   3.436   0.533
   92   2HG2  VAL  12          2HG2      VAL  12   0.660   2.003  -0.251
   93   3HG2  VAL  12          3HG2      VAL  12   1.818   1.815   1.072
   94    H    TYR  13           HN       TYR  13   6.276   2.846   0.704
   95    HA   TYR  13           HA       TYR  13   7.832   3.406  -1.638
   96   1HB   TYR  13          2HB       TYR  13   8.455   2.122   1.057
   97   2HB   TYR  13          3HB       TYR  13   9.683   2.499  -0.130
   98    HD1  TYR  13           HD1      TYR  13   9.523   5.028  -1.116
   99    HD2  TYR  13           HD2      TYR  13   8.188   3.726   2.778
  100    HE1  TYR  13           HE1      TYR  13   9.739   7.345  -0.284
  101    HE2  TYR  13           HE2      TYR  13   8.449   6.032   3.615
  102    HH   TYR  13           HH       TYR  13   9.156   8.803   1.554
  103    HA   PRO  14           HA       PRO  14   7.830  -0.421  -3.634
  104   1HB   PRO  14          2HB       PRO  14  10.348  -0.743  -4.711
  105   2HB   PRO  14          3HB       PRO  14   9.175   0.487  -5.274
  106   1HG   PRO  14          2HG       PRO  14  11.444   0.846  -3.290
  107   2HG   PRO  14          3HG       PRO  14  11.019   1.880  -4.695
  108   1HD   PRO  14          2HD       PRO  14  10.242   2.513  -2.188
  109   2HD   PRO  14          3HD       PRO  14   9.161   2.786  -3.576
  110    H    THR  15           HN       THR  15  10.558  -0.173  -1.273
  111    HA   THR  15           HA       THR  15  10.898  -2.993  -1.029
  112    HB   THR  15           HB       THR  15  11.870  -2.009   1.287
  113    HG1  THR  15          1HG       THR  15  11.396   0.102   1.210
  114   1HG2  THR  15          3HG2      THR  15  13.133  -3.060  -0.597
  115   2HG2  THR  15          1HG2      THR  15  13.174  -1.486  -1.424
  116   3HG2  THR  15          2HG2      THR  15  13.993  -1.716   0.144
  117    H    GLU  16           HN       GLU  16   8.191  -1.152  -0.218
  118    HA   GLU  16           HA       GLU  16   7.397  -3.138   1.837
  119   1HB   GLU  16          2HB       GLU  16   6.745  -1.556   3.155
  120   2HB   GLU  16          3HB       GLU  16   7.354  -0.331   2.054
  121   1HG   GLU  16          2HG       GLU  16   5.253   0.340   2.604
  122   2HG   GLU  16          3HG       GLU  16   4.979  -0.351   1.027
  123    H    LYS  17           HN       LYS  17   5.737  -1.120  -0.601
  124    HA   LYS  17           HA       LYS  17   3.699  -1.638  -1.579
  125   1HB   LYS  17          2HB       LYS  17   6.074  -2.698  -3.062
  126   2HB   LYS  17          3HB       LYS  17   4.490  -3.116  -3.704
  127   1HG   LYS  17          2HG       LYS  17   3.805  -0.764  -3.759
  128   2HG   LYS  17          3HG       LYS  17   5.379  -0.280  -3.123
  129   1HD   LYS  17          2HD       LYS  17   5.164   0.039  -5.571
  130   2HD   LYS  17          3HD       LYS  17   6.505  -0.995  -5.115
  131   1HE   LYS  17          2HE       LYS  17   5.526  -1.923  -7.062
  132   2HE   LYS  17          3HE       LYS  17   5.227  -3.011  -5.713
  133   1HZ   LYS  17          3HZ       LYS  17   2.966  -2.142  -5.605
  134   2HZ   LYS  17          1HZ       LYS  17   3.269  -1.137  -6.891
  135   3HZ   LYS  17          2HZ       LYS  17   3.318  -2.766  -7.089
  136    H    VAL  18           HN       VAL  18   2.756  -3.019   0.377
  137    HA   VAL  18           HA       VAL  18   2.131  -5.643  -0.335
  138    HB   VAL  18           HB       VAL  18   0.467  -3.510   1.032
  139   1HG1  VAL  18          3HG1      VAL  18  -1.082  -5.219   0.016
  140   2HG1  VAL  18          1HG1      VAL  18  -0.155  -6.478   0.858
  141   3HG1  VAL  18          2HG1      VAL  18  -1.080  -5.276   1.778
  142   1HG2  VAL  18          2HG2      VAL  18   1.905  -5.976   2.095
  143   2HG2  VAL  18          3HG2      VAL  18   2.317  -4.286   2.408
  144   3HG2  VAL  18          1HG2      VAL  18   0.811  -4.951   3.039
  145    H    ASN  19           HN       ASN  19   0.951  -6.444  -2.173
  146    HA   ASN  19           HA       ASN  19  -1.040  -4.677  -3.436
  147   1HB   ASN  19          2HB       ASN  19  -0.380  -6.402  -5.439
  148   2HB   ASN  19          3HB       ASN  19   0.176  -4.740  -5.301
  149   1HD2  ASN  19          2HD2      ASN  19   3.584  -5.611  -4.649
  150   2HD2  ASN  19          1HD2      ASN  19   2.391  -4.338  -4.476
  151    H    CYS  20           HN       CYS  20  -2.926  -5.649  -2.856
  152    HA   CYS  20           HA       CYS  20  -3.078  -8.622  -2.743
  153   1HB   CYS  20          2HB       CYS  20  -3.936  -6.764  -0.472
  154   2HB   CYS  20          3HB       CYS  20  -4.348  -8.479  -0.610
  155    HG   CYS  20           HG       CYS  20  -2.424  -8.195   1.123
  156    H    LEU  21           HN       LEU  21  -4.003  -6.347  -4.414
  157    HA   LEU  21           HA       LEU  21  -6.463  -7.368  -5.243
  158   1HB   LEU  21          2HB       LEU  21  -6.442  -4.788  -3.680
  159   2HB   LEU  21          3HB       LEU  21  -7.351  -4.746  -5.175
  160    HG   LEU  21           HG       LEU  21  -7.819  -6.883  -3.082
  161   1HD1  LEU  21          2HD1      LEU  21  -9.300  -4.287  -3.545
  162   2HD1  LEU  21          3HD1      LEU  21  -9.783  -5.586  -2.431
  163   3HD1  LEU  21          1HD1      LEU  21  -8.301  -4.701  -2.121
  164   1HD2  LEU  21          2HD2      LEU  21  -8.566  -7.469  -5.377
  165   2HD2  LEU  21          3HD2      LEU  21  -9.903  -7.257  -4.272
  166   3HD2  LEU  21          1HD2      LEU  21  -9.514  -5.967  -5.429
  167    H    ASP  22           HN       ASP  22  -6.848  -5.012  -6.992
  168    HA   ASP  22           HA       ASP  22  -4.337  -5.011  -8.524
  169   1HB   ASP  22          2HB       ASP  22  -5.486  -4.215 -10.269
  170   2HB   ASP  22          3HB       ASP  22  -6.822  -4.985  -9.439
  171    H    LYS  23           HN       LYS  23  -4.873  -3.642  -5.685
  172    HA   LYS  23           HA       LYS  23  -3.658  -1.027  -6.335
  173   1HB   LYS  23          2HB       LYS  23  -5.030  -0.069  -4.399
  174   2HB   LYS  23          3HB       LYS  23  -5.703  -0.195  -5.983
  175   1HG   LYS  23          2HG       LYS  23  -6.990  -2.246  -5.267
  176   2HG   LYS  23          3HG       LYS  23  -6.209  -2.129  -3.686
  177   1HD   LYS  23          2HD       LYS  23  -8.039  -0.900  -3.075
  178   2HD   LYS  23          3HD       LYS  23  -7.256   0.408  -3.933
  179   1HE   LYS  23          2HE       LYS  23  -9.416   0.439  -4.748
  180   2HE   LYS  23          3HE       LYS  23  -8.513  -0.377  -6.029
  181   1HZ   LYS  23          2HZ       LYS  23 -10.102  -1.774  -3.940
  182   2HZ   LYS  23          3HZ       LYS  23 -10.641  -1.431  -5.463
  183   3HZ   LYS  23          1HZ       LYS  23  -9.406  -2.453  -5.287
  184    H    PHE  24           HN       PHE  24  -3.052   0.010  -4.225
  185    HA   PHE  24           HA       PHE  24  -0.990  -1.829  -3.125
  186   1HB   PHE  24          2HB       PHE  24  -0.203   0.919  -2.821
  187   2HB   PHE  24          3HB       PHE  24   0.540  -0.326  -3.773
  188    HD1  PHE  24          2HD       PHE  24  -2.335   2.124  -3.924
  189    HD2  PHE  24          1HD       PHE  24   0.846   0.129  -6.052
  190    HE1  PHE  24          2HE       PHE  24  -2.876   3.420  -5.979
  191    HE2  PHE  24          1HE       PHE  24   0.305   1.428  -8.084
  192    HZ   PHE  24           HZ       PHE  24  -1.565   3.050  -8.059
  193    H    TRP  25           HN       TRP  25  -0.399  -1.725  -0.940
  194    HA   TRP  25           HA       TRP  25  -1.966   0.013   0.868
  195   1HB   TRP  25          2HB       TRP  25  -1.638  -2.968   1.353
  196   2HB   TRP  25          3HB       TRP  25  -2.662  -1.837   2.204
  197    HD1  TRP  25           HD1      TRP  25  -2.502  -3.922  -0.973
  198    HE1  TRP  25           HE1      TRP  25  -4.797  -3.944  -2.139
  199    HE3  TRP  25           HE3      TRP  25  -4.799  -0.455   1.876
  200    HZ2  TRP  25           HZ2      TRP  25  -7.410  -2.690  -1.722
  201    HZ3  TRP  25           HZ3      TRP  25  -7.202   0.166   1.479
  202    HH2  TRP  25           HH2      TRP  25  -8.489  -0.951  -0.323
  203    H    HIS  26           HN       HIS  26  -1.070  -0.700   3.187
  204    HA   HIS  26           HA       HIS  26   1.867  -1.116   3.084
  205   1HB   HIS  26          2HB       HIS  26   0.245   0.082   5.378
  206   2HB   HIS  26          3HB       HIS  26   1.940  -0.373   5.480
  207    HD2  HIS  26           HD2      HIS  26   3.715   0.985   3.858
  208    HE1  HIS  26           HE1      HIS  26   1.198   4.394   3.442
  209    HE2  HIS  26           HE2      HIS  26   3.528   3.513   3.041
  210    H    LYS  27           HN       LYS  27   2.597  -2.589   4.811
  211    HA   LYS  27           HA       LYS  27   1.617  -5.071   5.069
  212   1HB   LYS  27          2HB       LYS  27   3.628  -4.204   6.240
  213   2HB   LYS  27          3HB       LYS  27   2.594  -3.529   7.487
  214   1HG   LYS  27          2HG       LYS  27   1.755  -6.044   7.737
  215   2HG   LYS  27          3HG       LYS  27   3.263  -6.413   6.882
  216   1HD   LYS  27          2HD       LYS  27   4.465  -4.995   8.648
  217   2HD   LYS  27          3HD       LYS  27   2.916  -4.883   9.488
  218   1HE   LYS  27          2HE       LYS  27   3.953  -6.607  10.602
  219   2HE   LYS  27          3HE       LYS  27   2.903  -7.480   9.475
  220   1HZ   LYS  27          1HZ       LYS  27   5.765  -6.895   8.993
  221   2HZ   LYS  27          2HZ       LYS  27   5.239  -8.288   9.676
  222   3HZ   LYS  27          3HZ       LYS  27   4.845  -7.935   8.120
  223    H    ALA  28           HN       ALA  28   0.577  -2.754   7.644
  224    HA   ALA  28           HA       ALA  28  -1.657  -4.554   8.288
  225   1HB   ALA  28          2HB       ALA  28  -0.132  -3.684  10.043
  226   2HB   ALA  28          3HB       ALA  28  -0.762  -2.042   9.740
  227   3HB   ALA  28          1HB       ALA  28  -1.840  -3.315  10.337
  228    H    CYS  29           HN       CYS  29  -1.475  -2.161   6.017
  229    HA   CYS  29           HA       CYS  29  -4.107  -0.904   6.632
  230   1HB   CYS  29          2HB       CYS  29  -1.967  -0.338   4.551
  231   2HB   CYS  29          3HB       CYS  29  -3.545   0.408   4.540
  232    H    PHE  30           HN       PHE  30  -3.163  -3.773   5.424
  233    HA   PHE  30           HA       PHE  30  -3.880  -4.369   2.942
  234   1HB   PHE  30          2HB       PHE  30  -3.307  -5.956   4.804
  235   2HB   PHE  30          3HB       PHE  30  -4.967  -5.826   5.374
  236    HD1  PHE  30          2HD       PHE  30  -6.896  -6.525   3.679
  237    HD2  PHE  30          1HD       PHE  30  -2.757  -7.725   3.391
  238    HE1  PHE  30          2HE       PHE  30  -7.517  -8.277   2.076
  239    HE2  PHE  30          1HE       PHE  30  -3.434  -9.604   1.904
  240    HZ   PHE  30           HZ       PHE  30  -5.777  -9.791   1.143
   
  No H/Q in entry =         240
  Start of MODEL    6
    1   1H    ACE   0          1HC       ACE   0   9.649  10.535  -7.022
    2   2H    ACE   0          2HC       ACE   0  10.388   9.240  -7.971
    3   3H    ACE   0          3HC       ACE   0   9.594  10.592  -8.805
    4    H    MET   1           HN       MET   1   7.213  10.902  -8.049
    5    HA   MET   1           HA       MET   1   5.064  10.086  -7.878
    6   1HB   MET   1          2HB       MET   1   6.224   8.612 -10.267
    7   2HB   MET   1          3HB       MET   1   4.510   8.859  -9.952
    8   1HG   MET   1          2HG       MET   1   5.045  10.449 -11.530
    9   2HG   MET   1          3HG       MET   1   4.905  11.350 -10.029
   10   1HE   MET   1          2HE       MET   1   5.903  12.732 -12.379
   11   2HE   MET   1          3HE       MET   1   7.655  12.880 -12.647
   12   3HE   MET   1          1HE       MET   1   6.784  11.455 -13.241
   13    H    ASN   2           HN       ASN   2   6.034   8.777  -5.774
   14    HA   ASN   2           HA       ASN   2   5.795   5.871  -6.206
   15   1HB   ASN   2          2HB       ASN   2   6.597   7.619  -3.884
   16   2HB   ASN   2          3HB       ASN   2   5.859   6.072  -3.519
   17   1HD2  ASN   2          2HD2      ASN   2   9.676   6.034  -4.724
   18   2HD2  ASN   2          1HD2      ASN   2   8.861   7.540  -4.297
   19    HA   PRO   3           HA       PRO   3   1.475   5.747  -5.551
   20   1HB   PRO   3          2HB       PRO   3   1.075   3.310  -4.293
   21   2HB   PRO   3          3HB       PRO   3   1.510   3.498  -6.017
   22   1HG   PRO   3          2HG       PRO   3   3.359   2.908  -3.701
   23   2HG   PRO   3          3HG       PRO   3   3.289   2.116  -5.300
   24   1HD   PRO   3          2HD       PRO   3   5.091   4.067  -4.723
   25   2HD   PRO   3          3HD       PRO   3   4.347   3.953  -6.345
   26    H    ASN   4           HN       ASN   4  -0.268   5.493  -3.776
   27    HA   ASN   4           HA       ASN   4   0.807   6.042  -1.077
   28   1HB   ASN   4          2HB       ASN   4  -1.409   7.699  -2.347
   29   2HB   ASN   4          3HB       ASN   4  -0.970   7.707  -0.652
   30   1HD2  ASN   4          2HD2      ASN   4   1.663   9.462  -3.360
   31   2HD2  ASN   4          1HD2      ASN   4   0.531   8.252  -3.880
   32    H    CYS   5           HN       CYS   5  -0.413   5.220   0.502
   33    HA   CYS   5           HA       CYS   5  -1.555   2.720   0.105
   34   1HB   CYS   5          2HB       CYS   5  -0.423   3.658   2.118
   35   2HB   CYS   5          3HB       CYS   5  -1.805   4.716   2.386
   36    H    ALA   6           HN       ALA   6  -3.448   2.260  -0.802
   37    HA   ALA   6           HA       ALA   6  -5.500   4.220  -1.272
   38   1HB   ALA   6          2HB       ALA   6  -5.493   1.191  -1.462
   39   2HB   ALA   6          3HB       ALA   6  -6.846   2.223  -1.992
   40   3HB   ALA   6          1HB       ALA   6  -5.256   2.361  -2.772
   41    H    ARG   7           HN       ARG   7  -4.687   2.609   1.663
   42    HA   ARG   7           HA       ARG   7  -7.472   2.856   2.678
   43   1HB   ARG   7          2HB       ARG   7  -6.079   0.779   3.187
   44   2HB   ARG   7          3HB       ARG   7  -5.042   1.801   4.172
   45   1HG   ARG   7          2HG       ARG   7  -6.644   0.569   5.503
   46   2HG   ARG   7          3HG       ARG   7  -6.973   2.294   5.627
   47   1HD   ARG   7          2HD       ARG   7  -8.462   1.017   3.394
   48   2HD   ARG   7          3HD       ARG   7  -8.786   0.221   4.917
   49    HE   ARG   7           HE       ARG   7  -9.628   2.897   4.127
   50   1HH1  ARG   7          2HH2      ARG   7  -9.288   0.615   6.844
   51   2HH1  ARG   7          1HH2      ARG   7  -9.723   1.776   8.036
   52   1HH2  ARG   7          2HH1      ARG   7 -10.031   4.475   5.792
   53   2HH2  ARG   7          1HH1      ARG   7 -10.295   3.963   7.417
   54    H    CYS   8           HN       CYS   8  -4.154   3.796   3.880
   55    HA   CYS   8           HA       CYS   8  -5.549   5.594   5.685
   56   1HB   CYS   8          2HB       CYS   8  -3.400   5.763   6.759
   57   2HB   CYS   8          3HB       CYS   8  -3.646   4.064   6.308
   58    H    GLY   9           HN       GLY   9  -3.772   5.931   2.682
   59   1HA   GLY   9          1HA       GLY   9  -3.892   7.856   1.293
   60   2HA   GLY   9          2HA       GLY   9  -4.128   8.883   2.697
   61    H    LYS  10           HN       LYS  10  -1.536   6.828   3.570
   62    HA   LYS  10           HA       LYS  10   0.305   9.062   2.967
   63   1HB   LYS  10          2HB       LYS  10   0.576   6.598   4.720
   64   2HB   LYS  10          3HB       LYS  10   1.773   7.885   4.613
   65   1HG   LYS  10          2HG       LYS  10  -1.022   8.792   5.232
   66   2HG   LYS  10          3HG       LYS  10  -0.271   7.760   6.439
   67   1HD   LYS  10          2HD       LYS  10   1.604   9.309   6.646
   68   2HD   LYS  10          3HD       LYS  10   1.021  10.271   5.283
   69   1HE   LYS  10          2HE       LYS  10   0.552  11.353   7.444
   70   2HE   LYS  10          3HE       LYS  10  -0.917  11.007   6.524
   71   1HZ   LYS  10          2HZ       LYS  10   0.084   9.392   8.803
   72   2HZ   LYS  10          3HZ       LYS  10  -1.152  10.446   8.852
   73   3HZ   LYS  10          1HZ       LYS  10  -1.293   9.103   7.921
   74    H    ILE  11           HN       ILE  11   2.478   8.703   2.064
   75    HA   ILE  11           HA       ILE  11   2.340   7.239  -0.315
   76    HB   ILE  11           HB       ILE  11   3.766   9.261   0.327
   77   1HG1  ILE  11          2HG1      ILE  11   4.954   7.174  -1.532
   78   2HG1  ILE  11          3HG1      ILE  11   3.570   8.215  -1.897
   79   1HG2  ILE  11          2HG2      ILE  11   5.101   8.101   2.114
   80   2HG2  ILE  11          3HG2      ILE  11   5.874   7.117   0.856
   81   3HG2  ILE  11          1HG2      ILE  11   6.107   8.870   0.881
   82   1HD1  ILE  11          2HD1      ILE  11   5.016  10.217  -1.481
   83   2HD1  ILE  11          3HD1      ILE  11   6.419   9.121  -1.432
   84   3HD1  ILE  11          1HD1      ILE  11   5.432   9.260  -2.903
   85    H    VAL  12           HN       VAL  12   3.551   5.428  -1.136
   86    HA   VAL  12           HA       VAL  12   4.166   3.302   0.836
   87    HB   VAL  12           HB       VAL  12   2.490   3.375  -1.689
   88   1HG1  VAL  12          1HG1      VAL  12   4.049   1.324  -1.748
   89   2HG1  VAL  12          2HG1      VAL  12   3.136   0.746  -0.349
   90   3HG1  VAL  12          3HG1      VAL  12   2.300   1.051  -1.856
   91   1HG2  VAL  12          3HG2      VAL  12   1.369   3.848   0.470
   92   2HG2  VAL  12          1HG2      VAL  12   0.757   2.373  -0.309
   93   3HG2  VAL  12          2HG2      VAL  12   1.865   2.268   1.071
   94    H    TYR  13           HN       TYR  13   6.177   2.403   0.483
   95    HA   TYR  13           HA       TYR  13   7.831   3.576  -1.677
   96   1HB   TYR  13          2HB       TYR  13   8.425   1.875   0.782
   97   2HB   TYR  13          3HB       TYR  13   9.655   2.503  -0.298
   98    HD1  TYR  13           HD2      TYR  13   7.128   3.452   2.252
   99    HD2  TYR  13           HD1      TYR  13  10.319   4.847  -0.269
  100    HE1  TYR  13           HE2      TYR  13   7.112   5.577   3.452
  101    HE2  TYR  13           HE1      TYR  13  10.334   7.005   0.956
  102    HH   TYR  13           HH       TYR  13   7.983   7.674   3.570
  103    HA   PRO  14           HA       PRO  14   7.870  -0.299  -4.008
  104   1HB   PRO  14          2HB       PRO  14  10.486  -0.878  -4.597
  105   2HB   PRO  14          3HB       PRO  14   9.493   0.355  -5.429
  106   1HG   PRO  14          2HG       PRO  14  11.468   0.751  -3.179
  107   2HG   PRO  14          3HG       PRO  14  11.275   1.704  -4.685
  108   1HD   PRO  14          2HD       PRO  14  10.249   2.523  -2.303
  109   2HD   PRO  14          3HD       PRO  14   9.370   2.816  -3.828
  110    H    THR  15           HN       THR  15  10.043  -0.077  -1.212
  111    HA   THR  15           HA       THR  15  10.745  -2.715  -0.789
  112    HB   THR  15           HB       THR  15  10.726  -1.460   1.704
  113    HG1  THR  15          1HG       THR  15  10.830   0.672   1.449
  114   1HG2  THR  15          1HG2      THR  15  12.709  -1.065  -0.565
  115   2HG2  THR  15          2HG2      THR  15  13.041  -0.783   1.163
  116   3HG2  THR  15          3HG2      THR  15  12.696  -2.424   0.577
  117    H    GLU  16           HN       GLU  16   7.636  -1.240  -0.217
  118    HA   GLU  16           HA       GLU  16   7.040  -3.155   1.960
  119   1HB   GLU  16          2HB       GLU  16   5.469  -1.532   2.718
  120   2HB   GLU  16          3HB       GLU  16   6.969  -0.651   2.380
  121   1HG   GLU  16          2HG       GLU  16   6.226   0.190   0.371
  122   2HG   GLU  16          3HG       GLU  16   4.729  -0.768   0.356
  123    H    LYS  17           HN       LYS  17   6.223  -2.841  -1.360
  124    HA   LYS  17           HA       LYS  17   3.568  -2.633  -1.485
  125   1HB   LYS  17          2HB       LYS  17   5.523  -4.040  -3.277
  126   2HB   LYS  17          3HB       LYS  17   3.819  -4.355  -3.558
  127   1HG   LYS  17          2HG       LYS  17   4.132  -2.643  -4.953
  128   2HG   LYS  17          3HG       LYS  17   3.497  -1.800  -3.520
  129   1HD   LYS  17          2HD       LYS  17   5.900  -1.324  -2.921
  130   2HD   LYS  17          3HD       LYS  17   6.363  -1.949  -4.509
  131   1HE   LYS  17          2HE       LYS  17   4.474   0.400  -3.966
  132   2HE   LYS  17          3HE       LYS  17   6.134   0.533  -4.546
  133   1HZ   LYS  17          2HZ       LYS  17   5.463  -0.702  -6.538
  134   2HZ   LYS  17          3HZ       LYS  17   3.898  -0.713  -6.034
  135   3HZ   LYS  17          1HZ       LYS  17   4.656   0.695  -6.409
  136    H    VAL  18           HN       VAL  18   2.329  -3.582   0.170
  137    HA   VAL  18           HA       VAL  18   1.789  -6.316   0.253
  138    HB   VAL  18           HB       VAL  18   0.077  -3.852   0.690
  139   1HG1  VAL  18          2HG1      VAL  18  -0.623  -6.744   1.346
  140   2HG1  VAL  18          3HG1      VAL  18  -1.508  -5.300   1.889
  141   3HG1  VAL  18          1HG1      VAL  18  -1.451  -5.694   0.172
  142   1HG2  VAL  18          3HG2      VAL  18   1.487  -5.809   2.569
  143   2HG2  VAL  18          1HG2      VAL  18   1.874  -4.086   2.330
  144   3HG2  VAL  18          2HG2      VAL  18   0.352  -4.565   3.099
  145    H    ASN  19           HN       ASN  19   0.759  -7.598  -1.217
  146    HA   ASN  19           HA       ASN  19  -0.257  -6.443  -3.771
  147   1HB   ASN  19          2HB       ASN  19   0.384  -9.280  -2.802
  148   2HB   ASN  19          3HB       ASN  19  -0.466  -8.938  -4.299
  149   1HD2  ASN  19          2HD2      ASN  19   3.264  -7.294  -4.652
  150   2HD2  ASN  19          1HD2      ASN  19   2.183  -6.750  -3.389
  151    H    CYS  20           HN       CYS  20  -2.460  -6.641  -4.220
  152    HA   CYS  20           HA       CYS  20  -4.307  -7.914  -2.329
  153   1HB   CYS  20          2HB       CYS  20  -3.634  -5.593  -1.495
  154   2HB   CYS  20          3HB       CYS  20  -4.392  -4.943  -2.963
  155    HG   CYS  20           HG       CYS  20  -5.776  -4.724  -0.568
  156    H    LEU  21           HN       LEU  21  -6.377  -6.193  -3.584
  157    HA   LEU  21           HA       LEU  21  -7.323  -7.592  -5.749
  158   1HB   LEU  21          2HB       LEU  21  -7.646  -4.658  -5.060
  159   2HB   LEU  21          3HB       LEU  21  -8.332  -5.341  -6.533
  160    HG   LEU  21           HG       LEU  21  -9.570  -7.039  -5.190
  161   1HD1  LEU  21          1HD1      LEU  21  -8.647  -5.361  -2.803
  162   2HD1  LEU  21          2HD1      LEU  21  -9.934  -6.584  -2.766
  163   3HD1  LEU  21          3HD1      LEU  21  -8.285  -7.080  -3.100
  164   1HD2  LEU  21          1HD2      LEU  21 -10.611  -4.947  -5.987
  165   2HD2  LEU  21          2HD2      LEU  21 -11.302  -5.465  -4.444
  166   3HD2  LEU  21          3HD2      LEU  21 -10.134  -4.125  -4.488
  167    H    ASP  22           HN       ASP  22  -5.829  -4.396  -6.406
  168    HA   ASP  22           HA       ASP  22  -3.806  -5.517  -8.175
  169   1HB   ASP  22          2HB       ASP  22  -5.763  -5.516  -9.648
  170   2HB   ASP  22          3HB       ASP  22  -6.077  -3.828  -9.289
  171    H    LYS  23           HN       LYS  23  -3.888  -3.916  -5.668
  172    HA   LYS  23           HA       LYS  23  -2.430  -1.529  -6.462
  173   1HB   LYS  23          2HB       LYS  23  -3.901  -0.091  -4.845
  174   2HB   LYS  23          3HB       LYS  23  -4.370  -0.317  -6.491
  175   1HG   LYS  23          2HG       LYS  23  -6.049  -1.990  -5.846
  176   2HG   LYS  23          3HG       LYS  23  -5.450  -2.007  -4.185
  177   1HD   LYS  23          2HD       LYS  23  -6.239   0.184  -3.740
  178   2HD   LYS  23          3HD       LYS  23  -6.498   0.559  -5.450
  179   1HE   LYS  23          2HE       LYS  23  -8.024  -1.656  -4.011
  180   2HE   LYS  23          3HE       LYS  23  -8.585   0.021  -4.038
  181   1HZ   LYS  23          3HZ       LYS  23  -8.049  -1.518  -6.514
  182   2HZ   LYS  23          1HZ       LYS  23  -9.539  -1.332  -5.825
  183   3HZ   LYS  23          2HZ       LYS  23  -8.708  -0.046  -6.395
  184    H    PHE  24           HN       PHE  24  -1.906  -0.276  -4.470
  185    HA   PHE  24           HA       PHE  24  -0.546  -2.297  -2.739
  186   1HB   PHE  24          2HB       PHE  24   0.436   0.480  -3.452
  187   2HB   PHE  24          3HB       PHE  24   1.345  -0.834  -2.712
  188    HD1  PHE  24          2HD       PHE  24   1.120  -3.163  -4.280
  189    HD2  PHE  24          1HD       PHE  24   1.066   0.938  -5.643
  190    HE1  PHE  24          2HE       PHE  24   2.064  -3.856  -6.460
  191    HE2  PHE  24          1HE       PHE  24   1.985   0.225  -7.819
  192    HZ   PHE  24           HZ       PHE  24   2.477  -2.191  -8.240
  193    H    TRP  25           HN       TRP  25  -0.059  -1.896  -0.601
  194    HA   TRP  25           HA       TRP  25  -1.464   0.258   0.833
  195   1HB   TRP  25          2HB       TRP  25  -1.604  -2.680   1.639
  196   2HB   TRP  25          3HB       TRP  25  -2.545  -1.332   2.250
  197    HD1  TRP  25           HD1      TRP  25  -2.183  -3.516  -0.906
  198    HE1  TRP  25           HE1      TRP  25  -4.172  -3.258  -2.395
  199    HE3  TRP  25           HE3      TRP  25  -4.801  -0.199   1.888
  200    HZ2  TRP  25           HZ2      TRP  25  -6.836  -2.055  -2.241
  201    HZ3  TRP  25           HZ3      TRP  25  -7.167   0.424   1.248
  202    HH2  TRP  25           HH2      TRP  25  -8.166  -0.488  -0.814
  203    H    HIS  26           HN       HIS  26  -0.553   0.393   3.050
  204    HA   HIS  26           HA       HIS  26   2.209  -0.550   3.396
  205   1HB   HIS  26          2HB       HIS  26   0.229   0.448   5.492
  206   2HB   HIS  26          3HB       HIS  26   1.905   0.062   5.807
  207    HD2  HIS  26           HD2      HIS  26   3.773   1.530   4.195
  208    HE1  HIS  26           HE1      HIS  26   1.105   4.775   3.564
  209    HE2  HIS  26           HE2      HIS  26   3.494   3.932   3.216
  210    H    LYS  27           HN       LYS  27   2.801  -2.029   5.090
  211    HA   LYS  27           HA       LYS  27   2.010  -4.623   4.797
  212   1HB   LYS  27          2HB       LYS  27   4.023  -3.590   5.963
  213   2HB   LYS  27          3HB       LYS  27   3.011  -3.364   7.362
  214   1HG   LYS  27          2HG       LYS  27   3.946  -5.286   8.000
  215   2HG   LYS  27          3HG       LYS  27   2.623  -6.015   7.070
  216   1HD   LYS  27          2HD       LYS  27   4.138  -6.311   5.159
  217   2HD   LYS  27          3HD       LYS  27   5.420  -5.422   5.996
  218   1HE   LYS  27          2HE       LYS  27   5.998  -7.679   6.282
  219   2HE   LYS  27          3HE       LYS  27   5.313  -7.190   7.837
  220   1HZ   LYS  27          1HZ       LYS  27   3.831  -8.632   5.719
  221   2HZ   LYS  27          2HZ       LYS  27   4.515  -9.351   7.021
  222   3HZ   LYS  27          3HZ       LYS  27   3.279  -8.301   7.239
  223    H    ALA  28           HN       ALA  28   0.865  -2.462   7.438
  224    HA   ALA  28           HA       ALA  28  -1.232  -4.388   8.172
  225   1HB   ALA  28          1HB       ALA  28   0.156  -3.351   9.920
  226   2HB   ALA  28          2HB       ALA  28  -0.458  -1.741   9.453
  227   3HB   ALA  28          3HB       ALA  28  -1.549  -2.982  10.108
  228    H    CYS  29           HN       CYS  29  -1.223  -1.956   5.826
  229    HA   CYS  29           HA       CYS  29  -3.920  -0.916   6.493
  230   1HB   CYS  29          2HB       CYS  29  -1.781  -0.112   4.503
  231   2HB   CYS  29          3HB       CYS  29  -3.420   0.482   4.406
  232    H    PHE  30           HN       PHE  30  -2.706  -3.551   4.835
  233    HA   PHE  30           HA       PHE  30  -3.598  -4.004   2.440
  234   1HB   PHE  30          2HB       PHE  30  -2.760  -5.823   3.760
  235   2HB   PHE  30          3HB       PHE  30  -4.095  -5.713   4.885
  236    HD1  PHE  30          1HD       PHE  30  -3.319  -6.646   1.315
  237    HD2  PHE  30          2HD       PHE  30  -6.049  -7.041   4.637
  238    HE1  PHE  30          1HE       PHE  30  -4.545  -8.388   0.100
  239    HE2  PHE  30          2HE       PHE  30  -7.313  -8.750   3.371
  240    HZ   PHE  30           HZ       PHE  30  -6.575  -9.423   1.099
   
  No H/Q in entry =         240
  Start of MODEL    7
    1   1H    ACE   0          1HC       ACE   0   8.684  10.060  -8.591
    2   2H    ACE   0          2HC       ACE   0   8.351  11.033  -7.145
    3   3H    ACE   0          3HC       ACE   0   8.622   9.290  -6.983
    4    H    MET   1           HN       MET   1   6.992   8.776  -9.472
    5    HA   MET   1           HA       MET   1   4.245   9.442  -8.545
    6   1HB   MET   1          2HB       MET   1   3.489   8.439 -10.637
    7   2HB   MET   1          3HB       MET   1   4.504   9.853 -10.869
    8   1HG   MET   1          2HG       MET   1   6.361   8.569 -11.601
    9   2HG   MET   1          3HG       MET   1   5.657   7.045 -11.085
   10   1HE   MET   1          3HE       MET   1   3.879   5.676 -12.341
   11   2HE   MET   1          1HE       MET   1   2.707   6.986 -12.112
   12   3HE   MET   1          2HE       MET   1   2.930   6.274 -13.719
   13    H    ASN   2           HN       ASN   2   4.991   8.186  -6.602
   14    HA   ASN   2           HA       ASN   2   4.921   5.242  -6.942
   15   1HB   ASN   2          2HB       ASN   2   5.126   7.033  -4.483
   16   2HB   ASN   2          3HB       ASN   2   4.880   5.306  -4.397
   17   1HD2  ASN   2          2HD2      ASN   2   8.318   5.222  -3.876
   18   2HD2  ASN   2          1HD2      ASN   2   6.666   5.065  -3.251
   19    HA   PRO   3           HA       PRO   3   0.481   5.235  -6.160
   20   1HB   PRO   3          2HB       PRO   3   0.071   2.740  -5.119
   21   2HB   PRO   3          3HB       PRO   3   0.452   3.017  -6.845
   22   1HG   PRO   3          2HG       PRO   3   2.365   2.230  -4.626
   23   2HG   PRO   3          3HG       PRO   3   2.216   1.519  -6.264
   24   1HD   PRO   3          2HD       PRO   3   4.100   3.399  -5.664
   25   2HD   PRO   3          3HD       PRO   3   3.309   3.340  -7.267
   26    H    ASN   4           HN       ASN   4  -0.987   5.374  -4.335
   27    HA   ASN   4           HA       ASN   4   0.345   5.791  -1.698
   28   1HB   ASN   4          2HB       ASN   4  -2.412   6.614  -2.700
   29   2HB   ASN   4          3HB       ASN   4  -1.914   6.700  -1.021
   30   1HD2  ASN   4          2HD2      ASN   4  -0.395   9.432  -3.677
   31   2HD2  ASN   4          1HD2      ASN   4  -1.334   8.056  -4.229
   32    H    CYS   5           HN       CYS   5  -0.744   4.931   0.128
   33    HA   CYS   5           HA       CYS   5  -1.458   2.173   0.045
   34   1HB   CYS   5          2HB       CYS   5  -0.327   3.453   1.867
   35   2HB   CYS   5          3HB       CYS   5  -1.812   4.353   2.151
   36    H    ALA   6           HN       ALA   6  -3.340   1.519  -0.797
   37    HA   ALA   6           HA       ALA   6  -5.689   3.095  -1.093
   38   1HB   ALA   6          1HB       ALA   6  -5.323   0.079  -0.951
   39   2HB   ALA   6          2HB       ALA   6  -6.808   0.912  -1.468
   40   3HB   ALA   6          3HB       ALA   6  -5.310   1.121  -2.400
   41    H    ARG   7           HN       ARG   7  -4.356   1.998   1.870
   42    HA   ARG   7           HA       ARG   7  -7.042   2.165   3.177
   43   1HB   ARG   7          2HB       ARG   7  -5.310   0.314   3.801
   44   2HB   ARG   7          3HB       ARG   7  -4.466   1.611   4.624
   45   1HG   ARG   7          2HG       ARG   7  -6.909   1.999   5.702
   46   2HG   ARG   7          3HG       ARG   7  -7.116   0.306   5.212
   47   1HD   ARG   7          2HD       ARG   7  -4.760  -0.009   6.272
   48   2HD   ARG   7          3HD       ARG   7  -5.041   1.520   7.078
   49    HE   ARG   7           HE       ARG   7  -5.985  -1.081   7.760
   50   1HH1  ARG   7          2HH2      ARG   7  -6.960   2.353   8.007
   51   2HH1  ARG   7          1HH2      ARG   7  -7.888   2.107   9.438
   52   1HH2  ARG   7          2HH1      ARG   7  -7.114  -1.384   9.656
   53   2HH2  ARG   7          1HH1      ARG   7  -7.986  -0.089  10.403
   54    H    CYS   8           HN       CYS   8  -3.652   3.428   3.748
   55    HA   CYS   8           HA       CYS   8  -4.972   5.388   5.464
   56   1HB   CYS   8          2HB       CYS   8  -2.829   5.754   6.417
   57   2HB   CYS   8          3HB       CYS   8  -2.995   4.009   6.146
   58    H    GLY   9           HN       GLY   9  -3.842   5.435   2.204
   59   1HA   GLY   9          1HA       GLY   9  -3.801   7.116   0.686
   60   2HA   GLY   9          2HA       GLY   9  -4.481   8.195   1.898
   61    H    LYS  10           HN       LYS  10  -1.429   6.695   2.857
   62    HA   LYS  10           HA       LYS  10   0.065   9.073   1.887
   63   1HB   LYS  10          2HB       LYS  10   1.010   6.955   3.854
   64   2HB   LYS  10          3HB       LYS  10   1.844   8.433   3.390
   65   1HG   LYS  10          2HG       LYS  10  -0.492   9.512   4.234
   66   2HG   LYS  10          3HG       LYS  10  -0.481   8.062   5.236
   67   1HD   LYS  10          2HD       LYS  10   1.765   8.689   6.121
   68   2HD   LYS  10          3HD       LYS  10   1.772  10.117   5.072
   69   1HE   LYS  10          2HE       LYS  10  -0.389  10.839   6.224
   70   2HE   LYS  10          3HE       LYS  10  -0.123   9.529   7.384
   71   1HZ   LYS  10          2HZ       LYS  10   2.072  10.624   7.853
   72   2HZ   LYS  10          3HZ       LYS  10   1.613  11.869   6.886
   73   3HZ   LYS  10          1HZ       LYS  10   0.762  11.556   8.244
   74    H    ILE  11           HN       ILE  11   2.128   8.671   0.929
   75    HA   ILE  11           HA       ILE  11   2.146   6.951  -1.281
   76    HB   ILE  11           HB       ILE  11   3.446   9.097  -0.651
   77   1HG1  ILE  11          2HG1      ILE  11   4.648   8.410  -2.674
   78   2HG1  ILE  11          3HG1      ILE  11   3.943   6.837  -2.622
   79   1HG2  ILE  11          1HG2      ILE  11   5.094   8.040   0.856
   80   2HG2  ILE  11          2HG2      ILE  11   5.600   6.954  -0.473
   81   3HG2  ILE  11          3HG2      ILE  11   5.826   8.706  -0.604
   82   1HD1  ILE  11          3HD1      ILE  11   2.209   9.338  -2.633
   83   2HD1  ILE  11          1HD1      ILE  11   2.971   8.788  -4.133
   84   3HD1  ILE  11          2HD1      ILE  11   1.845   7.724  -3.276
   85    H    VAL  12           HN       VAL  12   3.105   4.928  -1.769
   86    HA   VAL  12           HA       VAL  12   4.021   3.268   0.530
   87    HB   VAL  12           HB       VAL  12   2.934   2.567  -2.229
   88   1HG1  VAL  12          1HG1      VAL  12   3.834   0.684  -0.002
   89   2HG1  VAL  12          2HG1      VAL  12   2.893   0.205  -1.427
   90   3HG1  VAL  12          3HG1      VAL  12   4.526   0.814  -1.640
   91   1HG2  VAL  12          3HG2      VAL  12   1.257   3.344  -0.523
   92   2HG2  VAL  12          1HG2      VAL  12   1.002   1.681  -1.054
   93   3HG2  VAL  12          2HG2      VAL  12   1.742   2.007   0.526
   94    H    TYR  13           HN       TYR  13   5.921   1.952   0.191
   95    HA   TYR  13           HA       TYR  13   7.724   2.815  -1.965
   96   1HB   TYR  13          2HB       TYR  13   8.307   2.722   1.022
   97   2HB   TYR  13          3HB       TYR  13   9.595   2.534  -0.155
   98    HD1  TYR  13           HD1      TYR  13   9.477   4.319  -2.201
   99    HD2  TYR  13           HD2      TYR  13   8.115   4.946   1.840
  100    HE1  TYR  13           HE1      TYR  13   9.520   6.741  -2.580
  101    HE2  TYR  13           HE2      TYR  13   8.190   7.423   1.464
  102    HH   TYR  13           HH       TYR  13   9.686   8.768  -1.335
  103    HA   PRO  14           HA       PRO  14   7.893  -1.295  -2.867
  104   1HB   PRO  14          2HB       PRO  14  10.510  -1.820  -3.646
  105   2HB   PRO  14          3HB       PRO  14   9.312  -0.863  -4.567
  106   1HG   PRO  14          2HG       PRO  14  11.472   0.137  -2.694
  107   2HG   PRO  14          3HG       PRO  14  11.088   0.719  -4.345
  108   1HD   PRO  14          2HD       PRO  14  10.153   2.011  -2.193
  109   2HD   PRO  14          3HD       PRO  14   9.089   1.765  -3.609
  110    H    THR  15           HN       THR  15   9.778  -0.454  -0.151
  111    HA   THR  15           HA       THR  15  10.539  -3.150   0.639
  112    HB   THR  15           HB       THR  15  11.897  -1.257   1.217
  113    HG1  THR  15          1HG       THR  15  12.154  -2.671   2.714
  114   1HG2  THR  15          3HG2      THR  15  10.243   0.589   1.399
  115   2HG2  THR  15          1HG2      THR  15   9.686  -0.086   2.951
  116   3HG2  THR  15          2HG2      THR  15  11.338   0.471   2.775
  117    H    GLU  16           HN       GLU  16   8.225  -0.753   1.968
  118    HA   GLU  16           HA       GLU  16   6.908  -2.596   3.700
  119   1HB   GLU  16          2HB       GLU  16   7.460  -0.328   4.245
  120   2HB   GLU  16          3HB       GLU  16   6.569   0.299   2.863
  121   1HG   GLU  16          2HG       GLU  16   5.377   0.893   4.736
  122   2HG   GLU  16          3HG       GLU  16   4.469  -0.428   4.054
  123    H    LYS  17           HN       LYS  17   6.469  -2.162   0.424
  124    HA   LYS  17           HA       LYS  17   3.803  -1.831  -0.114
  125   1HB   LYS  17          2HB       LYS  17   4.217  -3.060  -2.207
  126   2HB   LYS  17          3HB       LYS  17   5.597  -2.025  -1.820
  127   1HG   LYS  17          2HG       LYS  17   6.799  -4.008  -0.875
  128   2HG   LYS  17          3HG       LYS  17   5.403  -5.018  -1.282
  129   1HD   LYS  17          2HD       LYS  17   5.734  -4.781  -3.614
  130   2HD   LYS  17          3HD       LYS  17   6.992  -3.557  -3.380
  131   1HE   LYS  17          2HE       LYS  17   8.022  -5.741  -3.853
  132   2HE   LYS  17          3HE       LYS  17   8.437  -5.166  -2.236
  133   1HZ   LYS  17          1HZ       LYS  17   6.711  -6.688  -1.364
  134   2HZ   LYS  17          2HZ       LYS  17   6.557  -7.334  -2.893
  135   3HZ   LYS  17          3HZ       LYS  17   7.979  -7.412  -2.096
  136    H    VAL  18           HN       VAL  18   1.975  -3.115  -0.444
  137    HA   VAL  18           HA       VAL  18   2.128  -5.898  -0.302
  138    HB   VAL  18           HB       VAL  18  -0.026  -4.532   1.333
  139   1HG1  VAL  18          3HG1      VAL  18   0.595  -7.452   0.856
  140   2HG1  VAL  18          1HG1      VAL  18  -0.393  -6.913   2.213
  141   3HG1  VAL  18          2HG1      VAL  18  -0.950  -6.591   0.586
  142   1HG2  VAL  18          2HG2      VAL  18   2.080  -4.350   2.574
  143   2HG2  VAL  18          3HG2      VAL  18   0.912  -5.409   3.363
  144   3HG2  VAL  18          1HG2      VAL  18   2.285  -6.109   2.465
  145    H    ASN  19           HN       ASN  19  -0.142  -6.670  -1.186
  146    HA   ASN  19           HA       ASN  19  -0.788  -4.948  -3.535
  147   1HB   ASN  19          2HB       ASN  19   0.743  -6.665  -4.225
  148   2HB   ASN  19          3HB       ASN  19  -0.002  -7.868  -3.171
  149   1HD2  ASN  19          2HD2      ASN  19  -1.820  -7.058  -6.773
  150   2HD2  ASN  19          1HD2      ASN  19  -0.705  -5.875  -6.054
  151    H    CYS  20           HN       CYS  20  -2.908  -5.087  -4.293
  152    HA   CYS  20           HA       CYS  20  -4.537  -7.312  -3.652
  153   1HB   CYS  20          2HB       CYS  20  -5.074  -5.721  -1.737
  154   2HB   CYS  20          3HB       CYS  20  -5.846  -4.657  -2.956
  155    HG   CYS  20           HG       CYS  20  -7.545  -6.177  -1.440
  156    H    LEU  21           HN       LEU  21  -6.810  -6.585  -4.864
  157    HA   LEU  21           HA       LEU  21  -6.511  -7.485  -7.221
  158   1HB   LEU  21          2HB       LEU  21  -8.493  -5.254  -6.773
  159   2HB   LEU  21          3HB       LEU  21  -8.495  -6.372  -8.107
  160    HG   LEU  21           HG       LEU  21  -9.875  -7.603  -6.967
  161   1HD1  LEU  21          2HD1      LEU  21  -7.955  -9.084  -6.593
  162   2HD1  LEU  21          3HD1      LEU  21  -7.697  -8.351  -4.990
  163   3HD1  LEU  21          1HD1      LEU  21  -9.185  -9.223  -5.344
  164   1HD2  LEU  21          1HD2      LEU  21  -9.075  -6.123  -4.433
  165   2HD2  LEU  21          2HD2      LEU  21 -10.439  -5.765  -5.503
  166   3HD2  LEU  21          3HD2      LEU  21 -10.434  -7.259  -4.563
  167    H    ASP  22           HN       ASP  22  -6.837  -3.853  -7.330
  168    HA   ASP  22           HA       ASP  22  -4.264  -3.912  -8.757
  169   1HB   ASP  22          2HB       ASP  22  -5.889  -3.867 -10.574
  170   2HB   ASP  22          3HB       ASP  22  -6.608  -2.391  -9.898
  171    H    LYS  23           HN       LYS  23  -4.114  -3.429  -6.271
  172    HA   LYS  23           HA       LYS  23  -3.869  -0.507  -5.983
  173   1HB   LYS  23          2HB       LYS  23  -5.367  -2.204  -3.935
  174   2HB   LYS  23          3HB       LYS  23  -4.919  -0.500  -3.782
  175   1HG   LYS  23          2HG       LYS  23  -6.309  -0.068  -5.889
  176   2HG   LYS  23          3HG       LYS  23  -6.927  -1.714  -5.704
  177   1HD   LYS  23          2HD       LYS  23  -7.286   0.621  -3.788
  178   2HD   LYS  23          3HD       LYS  23  -8.505  -0.139  -4.811
  179   1HE   LYS  23          2HE       LYS  23  -8.093  -2.301  -3.554
  180   2HE   LYS  23          3HE       LYS  23  -7.064  -1.381  -2.429
  181   1HZ   LYS  23          1HZ       LYS  23  -9.917  -0.870  -2.983
  182   2HZ   LYS  23          2HZ       LYS  23  -9.366  -1.629  -1.655
  183   3HZ   LYS  23          3HZ       LYS  23  -9.034  -0.018  -1.918
  184    H    PHE  24           HN       PHE  24  -2.450   0.064  -4.206
  185    HA   PHE  24           HA       PHE  24  -0.745  -2.155  -3.198
  186   1HB   PHE  24          2HB       PHE  24  -0.070   0.666  -4.072
  187   2HB   PHE  24          3HB       PHE  24   0.890  -0.136  -2.852
  188    HD1  PHE  24          1HD       PHE  24  -0.043  -0.210  -6.437
  189    HD2  PHE  24          2HD       PHE  24   2.353  -1.990  -3.327
  190    HE1  PHE  24          1HE       PHE  24   1.356  -1.325  -8.151
  191    HE2  PHE  24          2HE       PHE  24   3.764  -3.093  -5.050
  192    HZ   PHE  24           HZ       PHE  24   3.267  -2.752  -7.462
  193    H    TRP  25           HN       TRP  25  -0.009  -1.863  -1.050
  194    HA   TRP  25           HA       TRP  25  -1.440   0.072   0.678
  195   1HB   TRP  25          2HB       TRP  25  -1.115  -2.830   1.458
  196   2HB   TRP  25          3HB       TRP  25  -2.098  -1.612   2.213
  197    HD1  TRP  25           HD1      TRP  25  -1.992  -3.723  -0.988
  198    HE1  TRP  25           HE1      TRP  25  -4.316  -3.980  -1.946
  199    HE3  TRP  25           HE3      TRP  25  -4.437  -1.115   2.507
  200    HZ2  TRP  25           HZ2      TRP  25  -7.080  -3.250  -1.120
  201    HZ3  TRP  25           HZ3      TRP  25  -6.960  -0.877   2.470
  202    HH2  TRP  25           HH2      TRP  25  -8.250  -1.928   0.644
  203    H    HIS  26           HN       HIS  26  -0.407  -0.252   2.934
  204    HA   HIS  26           HA       HIS  26   2.513  -0.892   2.777
  205   1HB   HIS  26          2HB       HIS  26   0.875   0.335   5.027
  206   2HB   HIS  26          3HB       HIS  26   2.593   0.034   5.100
  207    HD2  HIS  26           HD2      HIS  26   4.006   1.394   2.840
  208    HE1  HIS  26           HE1      HIS  26   1.327   4.684   3.146
  209    HE2  HIS  26           HE2      HIS  26   3.571   3.940   2.274
  210    H    LYS  27           HN       LYS  27   3.315  -2.271   4.488
  211    HA   LYS  27           HA       LYS  27   2.441  -4.737   4.872
  212   1HB   LYS  27          2HB       LYS  27   4.535  -3.801   5.595
  213   2HB   LYS  27          3HB       LYS  27   3.739  -2.972   6.927
  214   1HG   LYS  27          2HG       LYS  27   3.133  -5.782   7.109
  215   2HG   LYS  27          3HG       LYS  27   4.861  -5.623   6.813
  216   1HD   LYS  27          2HD       LYS  27   3.337  -4.237   9.061
  217   2HD   LYS  27          3HD       LYS  27   4.245  -5.735   9.202
  218   1HE   LYS  27          2HE       LYS  27   5.701  -4.207  10.072
  219   2HE   LYS  27          3HE       LYS  27   6.324  -4.420   8.444
  220   1HZ   LYS  27          2HZ       LYS  27   4.484  -2.207   9.136
  221   2HZ   LYS  27          3HZ       LYS  27   6.074  -2.051   9.386
  222   3HZ   LYS  27          1HZ       LYS  27   5.527  -2.275   7.858
  223    H    ALA  28           HN       ALA  28   1.759  -2.448   7.563
  224    HA   ALA  28           HA       ALA  28  -0.383  -4.166   8.531
  225   1HB   ALA  28          3HB       ALA  28   1.313  -3.028  10.015
  226   2HB   ALA  28          1HB       ALA  28   0.509  -1.483   9.638
  227   3HB   ALA  28          2HB       ALA  28  -0.367  -2.756  10.474
  228    H    CYS  29           HN       CYS  29  -0.548  -2.173   5.976
  229    HA   CYS  29           HA       CYS  29  -3.151  -1.000   6.750
  230   1HB   CYS  29          2HB       CYS  29  -1.212  -0.354   4.522
  231   2HB   CYS  29          3HB       CYS  29  -2.881   0.182   4.504
  232    H    PHE  30           HN       PHE  30  -1.722  -3.490   4.651
  233    HA   PHE  30           HA       PHE  30  -4.093  -3.821   3.065
  234   1HB   PHE  30          2HB       PHE  30  -2.014  -4.862   2.400
  235   2HB   PHE  30          3HB       PHE  30  -2.002  -5.863   3.854
  236    HD1  PHE  30          1HD       PHE  30  -4.725  -5.019   1.334
  237    HD2  PHE  30          2HD       PHE  30  -2.352  -8.123   3.195
  238    HE1  PHE  30          1HE       PHE  30  -6.087  -6.747   0.215
  239    HE2  PHE  30          2HE       PHE  30  -3.695  -9.830   2.015
  240    HZ   PHE  30           HZ       PHE  30  -5.574  -9.145   0.534
   
  No H/Q in entry =         240
  Start of MODEL    8
    1   1H    ACE   0          1HC       ACE   0  11.586   8.827  -7.064
    2   2H    ACE   0          2HC       ACE   0  11.784   7.763  -5.654
    3   3H    ACE   0          3HC       ACE   0  11.423   7.064  -7.245
    4    H    MET   1           HN       MET   1   9.372   8.653  -8.185
    5    HA   MET   1           HA       MET   1   7.292   9.157  -6.264
    6   1HB   MET   1          2HB       MET   1   5.795   9.372  -8.136
    7   2HB   MET   1          3HB       MET   1   7.289  10.238  -8.438
    8   1HG   MET   1          2HG       MET   1   6.800   9.258 -10.482
    9   2HG   MET   1          3HG       MET   1   8.020   8.190  -9.812
   10   1HE   MET   1          1HE       MET   1   7.462   6.527 -11.724
   11   2HE   MET   1          2HE       MET   1   5.856   5.840 -12.045
   12   3HE   MET   1          3HE       MET   1   6.166   7.567 -12.352
   13    H    ASN   2           HN       ASN   2   5.427   7.934  -5.855
   14    HA   ASN   2           HA       ASN   2   5.443   5.050  -6.376
   15   1HB   ASN   2          2HB       ASN   2   6.239   6.325  -3.752
   16   2HB   ASN   2          3HB       ASN   2   5.130   4.972  -3.682
   17   1HD2  ASN   2          2HD2      ASN   2   8.983   4.313  -4.910
   18   2HD2  ASN   2          1HD2      ASN   2   8.436   5.940  -4.593
   19    HA   PRO   3           HA       PRO   3   1.062   5.897  -5.789
   20   1HB   PRO   3          2HB       PRO   3   0.118   3.553  -4.727
   21   2HB   PRO   3          3HB       PRO   3   0.648   3.697  -6.433
   22   1HG   PRO   3          2HG       PRO   3   2.216   2.640  -4.059
   23   2HG   PRO   3          3HG       PRO   3   2.038   1.899  -5.685
   24   1HD   PRO   3          2HD       PRO   3   4.210   3.366  -5.055
   25   2HD   PRO   3          3HD       PRO   3   3.459   3.482  -6.674
   26    H    ASN   4           HN       ASN   4  -0.644   5.961  -4.048
   27    HA   ASN   4           HA       ASN   4   0.514   6.220  -1.310
   28   1HB   ASN   4          2HB       ASN   4  -2.073   7.318  -2.460
   29   2HB   ASN   4          3HB       ASN   4  -1.674   7.307  -0.748
   30   1HD2  ASN   4          2HD2      ASN   4   0.070  10.085  -3.234
   31   2HD2  ASN   4          1HD2      ASN   4  -0.772   8.697  -3.890
   32    H    CYS   5           HN       CYS   5  -0.536   5.219   0.384
   33    HA   CYS   5           HA       CYS   5  -1.507   2.554   0.106
   34   1HB   CYS   5          2HB       CYS   5  -0.346   3.707   2.055
   35   2HB   CYS   5          3HB       CYS   5  -1.821   4.612   2.331
   36    H    ALA   6           HN       ALA   6  -3.505   2.023  -0.648
   37    HA   ALA   6           HA       ALA   6  -5.632   3.885  -1.091
   38   1HB   ALA   6          3HB       ALA   6  -5.604   0.848  -0.973
   39   2HB   ALA   6          1HB       ALA   6  -6.970   1.826  -1.549
   40   3HB   ALA   6          2HB       ALA   6  -5.417   1.871  -2.408
   41    H    ARG   7           HN       ARG   7  -4.540   2.842   1.902
   42    HA   ARG   7           HA       ARG   7  -7.249   3.144   3.126
   43   1HB   ARG   7          2HB       ARG   7  -6.510   0.930   3.529
   44   2HB   ARG   7          3HB       ARG   7  -4.894   1.469   3.950
   45   1HG   ARG   7          2HG       ARG   7  -6.108   0.782   5.950
   46   2HG   ARG   7          3HG       ARG   7  -5.797   2.512   6.021
   47   1HD   ARG   7          2HD       ARG   7  -8.097   2.992   5.293
   48   2HD   ARG   7          3HD       ARG   7  -8.415   1.269   5.066
   49    HE   ARG   7           HE       ARG   7  -7.967   2.702   7.645
   50   1HH1  ARG   7          2HH2      ARG   7  -8.702  -0.431   6.114
   51   2HH1  ARG   7          1HH2      ARG   7  -9.534  -1.043   7.496
   52   1HH2  ARG   7          2HH1      ARG   7  -9.192   1.978   9.353
   53   2HH2  ARG   7          1HH1      ARG   7  -9.704   0.316   9.477
   54    H    CYS   8           HN       CYS   8  -3.688   3.771   3.941
   55    HA   CYS   8           HA       CYS   8  -4.717   5.566   6.020
   56   1HB   CYS   8          2HB       CYS   8  -2.461   5.686   6.786
   57   2HB   CYS   8          3HB       CYS   8  -2.808   3.993   6.388
   58    H    GLY   9           HN       GLY   9  -3.468   5.875   2.774
   59   1HA   GLY   9          1HA       GLY   9  -3.582   7.740   1.406
   60   2HA   GLY   9          2HA       GLY   9  -3.950   8.772   2.784
   61    H    LYS  10           HN       LYS  10  -1.094   6.843   3.520
   62    HA   LYS  10           HA       LYS  10   0.620   9.120   2.782
   63   1HB   LYS  10          2HB       LYS  10   1.366   6.372   3.868
   64   2HB   LYS  10          3HB       LYS  10   2.388   7.801   3.812
   65   1HG   LYS  10          2HG       LYS  10   0.693   8.840   5.417
   66   2HG   LYS  10          3HG       LYS  10   0.080   7.220   5.676
   67   1HD   LYS  10          2HD       LYS  10   2.880   8.263   6.252
   68   2HD   LYS  10          3HD       LYS  10   1.697   7.613   7.400
   69   1HE   LYS  10          2HE       LYS  10   1.881   5.387   6.263
   70   2HE   LYS  10          3HE       LYS  10   3.126   6.057   5.188
   71   1HZ   LYS  10          1HZ       LYS  10   4.483   6.477   7.108
   72   2HZ   LYS  10          2HZ       LYS  10   3.359   5.830   8.123
   73   3HZ   LYS  10          3HZ       LYS  10   4.138   4.892   7.009
   74    H    ILE  11           HN       ILE  11   2.458   8.892   1.368
   75    HA   ILE  11           HA       ILE  11   2.214   7.149  -0.841
   76    HB   ILE  11           HB       ILE  11   3.569   9.332  -0.590
   77   1HG1  ILE  11          2HG1      ILE  11   4.609   6.994  -2.220
   78   2HG1  ILE  11          3HG1      ILE  11   3.252   8.040  -2.642
   79   1HG2  ILE  11          1HG2      ILE  11   5.080   8.516   1.210
   80   2HG2  ILE  11          2HG2      ILE  11   5.778   7.345   0.058
   81   3HG2  ILE  11          3HG2      ILE  11   5.947   9.084  -0.221
   82   1HD1  ILE  11          2HD1      ILE  11   4.810  10.002  -2.695
   83   2HD1  ILE  11          3HD1      ILE  11   6.171   8.872  -2.463
   84   3HD1  ILE  11          1HD1      ILE  11   5.163   8.756  -3.904
   85    H    VAL  12           HN       VAL  12   3.402   5.277  -1.408
   86    HA   VAL  12           HA       VAL  12   4.300   3.586   0.858
   87    HB   VAL  12           HB       VAL  12   3.472   2.681  -1.927
   88   1HG1  VAL  12          3HG1      VAL  12   3.671   1.235   0.755
   89   2HG1  VAL  12          1HG1      VAL  12   2.920   0.554  -0.685
   90   3HG1  VAL  12          2HG1      VAL  12   4.640   0.933  -0.700
   91   1HG2  VAL  12          1HG2      VAL  12   1.645   2.908   0.510
   92   2HG2  VAL  12          2HG2      VAL  12   1.492   3.800  -1.016
   93   3HG2  VAL  12          3HG2      VAL  12   1.244   2.066  -1.001
   94    H    TYR  13           HN       TYR  13   6.132   1.948  -0.044
   95    HA   TYR  13           HA       TYR  13   7.943   3.346  -1.878
   96   1HB   TYR  13          2HB       TYR  13   8.757   2.178   0.801
   97   2HB   TYR  13          3HB       TYR  13   9.822   2.978  -0.353
   98    HD1  TYR  13           HD1      TYR  13   8.990   5.511  -1.008
   99    HD2  TYR  13           HD2      TYR  13   8.030   3.414   2.628
  100    HE1  TYR  13           HE1      TYR  13   8.519   7.665   0.095
  101    HE2  TYR  13           HE2      TYR  13   7.554   5.555   3.756
  102    HH   TYR  13           HH       TYR  13   7.650   8.718   2.070
  103    HA   PRO  14           HA       PRO  14   8.040  -0.716  -3.352
  104   1HB   PRO  14          2HB       PRO  14  10.112  -0.843  -4.957
  105   2HB   PRO  14          3HB       PRO  14   8.763   0.345  -5.146
  106   1HG   PRO  14          2HG       PRO  14  11.495   0.828  -3.883
  107   2HG   PRO  14          3HG       PRO  14  10.664   1.846  -5.099
  108   1HD   PRO  14          2HD       PRO  14  10.548   2.318  -2.393
  109   2HD   PRO  14          3HD       PRO  14   9.234   2.745  -3.528
  110    H    THR  15           HN       THR  15   8.357  -1.185  -1.207
  111    HA   THR  15           HA       THR  15   9.872  -3.653  -0.906
  112    HB   THR  15           HB       THR  15   9.815  -2.871   1.615
  113    HG1  THR  15          1HG       THR  15  10.533  -0.415   0.448
  114   1HG2  THR  15          3HG2      THR  15  11.837  -3.684   0.410
  115   2HG2  THR  15          1HG2      THR  15  12.133  -2.032  -0.175
  116   3HG2  THR  15          2HG2      THR  15  12.205  -2.409   1.567
  117    H    GLU  16           HN       GLU  16   7.854  -1.554   1.106
  118    HA   GLU  16           HA       GLU  16   6.263  -3.725   1.949
  119   1HB   GLU  16          2HB       GLU  16   6.823  -2.033   3.472
  120   2HB   GLU  16          3HB       GLU  16   6.224  -0.728   2.428
  121   1HG   GLU  16          2HG       GLU  16   3.981  -1.296   2.966
  122   2HG   GLU  16          3HG       GLU  16   4.449  -2.841   3.698
  123    H    LYS  17           HN       LYS  17   5.776  -1.741  -0.810
  124    HA   LYS  17           HA       LYS  17   2.968  -1.576  -0.961
  125   1HB   LYS  17          2HB       LYS  17   3.246  -1.499  -3.441
  126   2HB   LYS  17          3HB       LYS  17   4.232  -0.346  -2.558
  127   1HG   LYS  17          2HG       LYS  17   6.200  -1.881  -2.801
  128   2HG   LYS  17          3HG       LYS  17   5.229  -2.915  -3.845
  129   1HD   LYS  17          2HD       LYS  17   5.834   0.015  -4.425
  130   2HD   LYS  17          3HD       LYS  17   6.743  -1.373  -5.047
  131   1HE   LYS  17          2HE       LYS  17   4.578  -2.256  -6.030
  132   2HE   LYS  17          3HE       LYS  17   3.847  -0.686  -5.657
  133   1HZ   LYS  17          2HZ       LYS  17   6.241  -1.088  -7.358
  134   2HZ   LYS  17          3HZ       LYS  17   4.698  -0.797  -7.901
  135   3HZ   LYS  17          1HZ       LYS  17   5.485   0.356  -7.101
  136    H    VAL  18           HN       VAL  18   1.841  -3.282  -0.194
  137    HA   VAL  18           HA       VAL  18   2.318  -5.921  -0.932
  138    HB   VAL  18           HB       VAL  18   0.250  -6.464   0.144
  139   1HG1  VAL  18          3HG1      VAL  18   1.976  -5.650   1.664
  140   2HG1  VAL  18          1HG1      VAL  18   1.351  -3.988   1.560
  141   3HG1  VAL  18          2HG1      VAL  18   0.363  -5.253   2.281
  142   1HG2  VAL  18          3HG2      VAL  18  -1.230  -4.895  -0.998
  143   2HG2  VAL  18          1HG2      VAL  18  -1.451  -4.832   0.751
  144   3HG2  VAL  18          2HG2      VAL  18  -0.522  -3.549  -0.080
  145    H    ASN  19           HN       ASN  19   0.732  -7.348  -2.207
  146    HA   ASN  19           HA       ASN  19  -0.811  -6.016  -4.298
  147   1HB   ASN  19          2HB       ASN  19   0.246  -8.219  -5.572
  148   2HB   ASN  19          3HB       ASN  19   0.777  -6.540  -5.780
  149   1HD2  ASN  19          2HD2      ASN  19   3.981  -7.029  -4.341
  150   2HD2  ASN  19          1HD2      ASN  19   2.797  -5.852  -4.868
  151    H    CYS  20           HN       CYS  20  -2.763  -6.730  -3.767
  152    HA   CYS  20           HA       CYS  20  -3.395  -9.513  -3.185
  153   1HB   CYS  20          2HB       CYS  20  -4.492  -8.809  -1.004
  154   2HB   CYS  20          3HB       CYS  20  -2.731  -8.904  -0.986
  155    HG   CYS  20           HG       CYS  20  -3.902  -6.873   0.419
  156    H    LEU  21           HN       LEU  21  -3.856  -7.463  -5.155
  157    HA   LEU  21           HA       LEU  21  -6.267  -7.278  -6.212
  158   1HB   LEU  21          2HB       LEU  21  -6.000  -5.395  -3.863
  159   2HB   LEU  21          3HB       LEU  21  -6.637  -4.720  -5.343
  160    HG   LEU  21           HG       LEU  21  -7.885  -7.215  -4.143
  161   1HD1  LEU  21          1HD1      LEU  21  -8.568  -4.310  -3.502
  162   2HD1  LEU  21          2HD1      LEU  21  -9.483  -5.746  -2.988
  163   3HD1  LEU  21          3HD1      LEU  21  -7.845  -5.490  -2.380
  164   1HD2  LEU  21          1HD2      LEU  21  -8.980  -4.998  -5.923
  165   2HD2  LEU  21          2HD2      LEU  21  -8.512  -6.635  -6.445
  166   3HD2  LEU  21          3HD2      LEU  21  -9.867  -6.422  -5.338
  167    H    ASP  22           HN       ASP  22  -6.061  -5.163  -7.685
  168    HA   ASP  22           HA       ASP  22  -3.313  -5.083  -8.605
  169   1HB   ASP  22          2HB       ASP  22  -5.412  -5.209 -10.020
  170   2HB   ASP  22          3HB       ASP  22  -5.637  -3.490  -9.712
  171    H    LYS  23           HN       LYS  23  -3.942  -3.705  -5.993
  172    HA   LYS  23           HA       LYS  23  -2.850  -1.005  -6.527
  173   1HB   LYS  23          2HB       LYS  23  -4.510  -0.106  -4.749
  174   2HB   LYS  23          3HB       LYS  23  -5.063  -0.357  -6.359
  175   1HG   LYS  23          2HG       LYS  23  -6.207  -2.431  -5.733
  176   2HG   LYS  23          3HG       LYS  23  -5.411  -2.436  -4.152
  177   1HD   LYS  23          2HD       LYS  23  -7.732  -1.719  -3.979
  178   2HD   LYS  23          3HD       LYS  23  -6.632  -0.444  -3.467
  179   1HE   LYS  23          2HE       LYS  23  -8.472   0.462  -4.773
  180   2HE   LYS  23          3HE       LYS  23  -6.944   0.735  -5.611
  181   1HZ   LYS  23          1HZ       LYS  23  -8.856  -1.438  -6.230
  182   2HZ   LYS  23          2HZ       LYS  23  -8.766  -0.034  -7.050
  183   3HZ   LYS  23          3HZ       LYS  23  -7.507  -1.049  -7.123
  184    H    PHE  24           HN       PHE  24  -2.764   0.022  -4.185
  185    HA   PHE  24           HA       PHE  24  -0.674  -1.713  -2.943
  186   1HB   PHE  24          2HB       PHE  24  -0.394   1.265  -3.348
  187   2HB   PHE  24          3HB       PHE  24   0.867   0.043  -3.142
  188    HD1  PHE  24          1HD       PHE  24   0.943  -1.851  -5.048
  189    HD2  PHE  24          2HD       PHE  24  -1.157   1.902  -5.498
  190    HE1  PHE  24          1HE       PHE  24   0.708  -2.239  -7.483
  191    HE2  PHE  24          2HE       PHE  24  -1.243   1.556  -7.927
  192    HZ   PHE  24           HZ       PHE  24  -0.349  -0.502  -8.932
  193    H    TRP  25           HN       TRP  25  -0.427  -1.704  -0.798
  194    HA   TRP  25           HA       TRP  25  -1.813   0.221   0.917
  195   1HB   TRP  25          2HB       TRP  25  -1.972  -2.753   1.502
  196   2HB   TRP  25          3HB       TRP  25  -2.860  -1.448   2.229
  197    HD1  TRP  25           HD1      TRP  25  -2.772  -3.443  -1.066
  198    HE1  TRP  25           HE1      TRP  25  -5.046  -3.585  -2.093
  199    HE3  TRP  25           HE3      TRP  25  -5.176  -0.315   2.129
  200    HZ2  TRP  25           HZ2      TRP  25  -7.671  -2.355  -1.666
  201    HZ3  TRP  25           HZ3      TRP  25  -7.595   0.279   1.718
  202    HH2  TRP  25           HH2      TRP  25  -8.818  -0.729  -0.172
  203    H    HIS  26           HN       HIS  26  -0.916  -0.529   3.260
  204    HA   HIS  26           HA       HIS  26   1.929  -1.424   3.049
  205   1HB   HIS  26          2HB       HIS  26   0.601   0.273   5.171
  206   2HB   HIS  26          3HB       HIS  26   2.249  -0.280   5.268
  207    HD2  HIS  26           HD2      HIS  26   3.990   0.867   3.253
  208    HE1  HIS  26           HE1      HIS  26   1.675   4.427   3.198
  209    HE2  HIS  26           HE2      HIS  26   3.936   3.412   2.627
  210    H    LYS  27           HN       LYS  27   2.628  -2.508   5.266
  211    HA   LYS  27           HA       LYS  27   1.569  -4.974   5.464
  212   1HB   LYS  27          2HB       LYS  27   2.983  -3.143   7.415
  213   2HB   LYS  27          3HB       LYS  27   2.484  -4.712   7.952
  214   1HG   LYS  27          2HG       LYS  27   4.099  -4.466   5.407
  215   2HG   LYS  27          3HG       LYS  27   4.908  -4.414   6.973
  216   1HD   LYS  27          2HD       LYS  27   3.015  -6.652   6.191
  217   2HD   LYS  27          3HD       LYS  27   4.755  -6.721   5.868
  218   1HE   LYS  27          2HE       LYS  27   5.321  -6.932   8.102
  219   2HE   LYS  27          3HE       LYS  27   3.917  -6.019   8.664
  220   1HZ   LYS  27          1HZ       LYS  27   2.521  -7.903   8.134
  221   2HZ   LYS  27          2HZ       LYS  27   3.821  -8.805   7.663
  222   3HZ   LYS  27          3HZ       LYS  27   3.675  -8.330   9.219
  223    H    ALA  28           HN       ALA  28   0.543  -2.327   7.694
  224    HA   ALA  28           HA       ALA  28  -1.552  -4.119   8.790
  225   1HB   ALA  28          2HB       ALA  28  -0.064  -2.831  10.370
  226   2HB   ALA  28          3HB       ALA  28  -0.814  -1.334   9.737
  227   3HB   ALA  28          1HB       ALA  28  -1.800  -2.534  10.567
  228    H    CYS  29           HN       CYS  29  -1.270  -1.826   6.292
  229    HA   CYS  29           HA       CYS  29  -3.855  -0.507   6.827
  230   1HB   CYS  29          2HB       CYS  29  -1.799  -0.125   4.620
  231   2HB   CYS  29          3HB       CYS  29  -3.226   0.849   4.876
  232    H    PHE  30           HN       PHE  30  -2.651  -3.194   4.894
  233    HA   PHE  30           HA       PHE  30  -4.829  -3.201   2.993
  234   1HB   PHE  30          2HB       PHE  30  -2.860  -4.582   2.606
  235   2HB   PHE  30          3HB       PHE  30  -3.121  -5.452   4.109
  236    HD1  PHE  30          1HD       PHE  30  -5.752  -4.550   1.517
  237    HD2  PHE  30          2HD       PHE  30  -3.348  -7.672   3.299
  238    HE1  PHE  30          1HE       PHE  30  -7.078  -6.253   0.330
  239    HE2  PHE  30          2HE       PHE  30  -4.656  -9.367   2.046
  240    HZ   PHE  30           HZ       PHE  30  -6.535  -8.666   0.580
   
  No H/Q in entry =         240
  Start of MODEL    9
    1   1H    ACE   0          1HC       ACE   0   9.842  10.968  -6.301
    2   2H    ACE   0          2HC       ACE   0   9.219  12.524  -5.707
    3   3H    ACE   0          3HC       ACE   0   9.204  11.108  -4.649
    4    H    MET   1           HN       MET   1   8.415  10.233  -7.840
    5    HA   MET   1           HA       MET   1   5.477  10.319  -7.447
    6   1HB   MET   1          2HB       MET   1   7.222   8.817  -9.448
    7   2HB   MET   1          3HB       MET   1   5.456   8.781  -9.391
    8   1HG   MET   1          2HG       MET   1   5.425  11.247  -9.769
    9   2HG   MET   1          3HG       MET   1   7.174  11.211  -9.981
   10   1HE   MET   1          2HE       MET   1   8.393   9.816 -11.969
   11   2HE   MET   1          3HE       MET   1   7.468   8.326 -11.668
   12   3HE   MET   1          1HE       MET   1   7.514   9.029 -13.294
   13    H    ASN   2           HN       ASN   2   4.522   8.800  -6.145
   14    HA   ASN   2           HA       ASN   2   5.105   6.124  -6.595
   15   1HB   ASN   2          2HB       ASN   2   6.220   7.168  -4.059
   16   2HB   ASN   2          3HB       ASN   2   5.023   5.903  -3.779
   17   1HD2  ASN   2          2HD2      ASN   2   8.623   4.640  -4.679
   18   2HD2  ASN   2          1HD2      ASN   2   8.120   5.908  -3.556
   19    HA   PRO   3           HA       PRO   3   0.771   6.429  -5.892
   20   1HB   PRO   3          2HB       PRO   3  -0.006   3.879  -5.170
   21   2HB   PRO   3          3HB       PRO   3   0.500   4.356  -6.814
   22   1HG   PRO   3          2HG       PRO   3   2.120   2.936  -4.730
   23   2HG   PRO   3          3HG       PRO   3   2.040   2.629  -6.488
   24   1HD   PRO   3          2HD       PRO   3   4.026   4.089  -5.252
   25   2HD   PRO   3          3HD       PRO   3   3.544   4.338  -6.958
   26    H    ASN   4           HN       ASN   4  -0.976   5.957  -4.111
   27    HA   ASN   4           HA       ASN   4   0.267   6.162  -1.416
   28   1HB   ASN   4          2HB       ASN   4  -2.228   7.583  -2.388
   29   2HB   ASN   4          3HB       ASN   4  -1.709   7.466  -0.708
   30   1HD2  ASN   4          2HD2      ASN   4   0.250  10.011  -3.257
   31   2HD2  ASN   4          1HD2      ASN   4  -1.210   9.134  -3.731
   32    H    CYS   5           HN       CYS   5  -0.682   4.970   0.112
   33    HA   CYS   5           HA       CYS   5  -2.161   2.557  -0.529
   34   1HB   CYS   5          2HB       CYS   5  -0.426   2.702   1.209
   35   2HB   CYS   5          3HB       CYS   5  -1.286   4.045   1.962
   36    H    ALA   6           HN       ALA   6  -4.309   2.643  -0.912
   37    HA   ALA   6           HA       ALA   6  -5.867   5.008  -0.567
   38   1HB   ALA   6          2HB       ALA   6  -6.139   3.249  -2.353
   39   2HB   ALA   6          3HB       ALA   6  -6.794   2.150  -1.123
   40   3HB   ALA   6          1HB       ALA   6  -7.641   3.662  -1.533
   41    H    ARG   7           HN       ARG   7  -4.890   2.896   1.862
   42    HA   ARG   7           HA       ARG   7  -7.492   2.914   3.316
   43   1HB   ARG   7          2HB       ARG   7  -6.071   0.840   3.221
   44   2HB   ARG   7          3HB       ARG   7  -4.808   1.685   4.090
   45   1HG   ARG   7          2HG       ARG   7  -7.441   1.822   5.466
   46   2HG   ARG   7          3HG       ARG   7  -6.945   0.183   5.105
   47   1HD   ARG   7          2HD       ARG   7  -4.623   1.027   6.188
   48   2HD   ARG   7          3HD       ARG   7  -5.716   2.140   7.013
   49    HE   ARG   7           HE       ARG   7  -6.794  -0.502   7.012
   50   1HH1  ARG   7          2HH2      ARG   7  -4.294   1.366   8.849
   51   2HH1  ARG   7          1HH2      ARG   7  -4.357   0.231  10.143
   52   1HH2  ARG   7          2HH1      ARG   7  -6.657  -1.950   8.613
   53   2HH2  ARG   7          1HH1      ARG   7  -5.939  -1.545  10.152
   54    H    CYS   8           HN       CYS   8  -4.073   4.001   3.738
   55    HA   CYS   8           HA       CYS   8  -4.851   5.446   6.194
   56   1HB   CYS   8          2HB       CYS   8  -2.438   5.562   6.556
   57   2HB   CYS   8          3HB       CYS   8  -2.934   3.890   6.257
   58    H    GLY   9           HN       GLY   9  -3.297   5.913   3.057
   59   1HA   GLY   9          1HA       GLY   9  -4.037   7.712   1.554
   60   2HA   GLY   9          2HA       GLY   9  -4.002   8.810   2.937
   61    H    LYS  10           HN       LYS  10  -1.420   6.658   3.380
   62    HA   LYS  10           HA       LYS  10   0.421   8.797   2.724
   63   1HB   LYS  10          2HB       LYS  10   0.770   6.083   4.103
   64   2HB   LYS  10          3HB       LYS  10   1.972   7.349   4.048
   65   1HG   LYS  10          2HG       LYS  10   0.256   8.875   5.126
   66   2HG   LYS  10          3HG       LYS  10  -0.779   7.473   5.379
   67   1HD   LYS  10          2HD       LYS  10   0.845   6.370   6.762
   68   2HD   LYS  10          3HD       LYS  10   2.088   7.585   6.379
   69   1HE   LYS  10          2HE       LYS  10   0.763   9.345   7.460
   70   2HE   LYS  10          3HE       LYS  10  -0.544   8.201   7.786
   71   1HZ   LYS  10          3HZ       LYS  10   2.177   8.000   8.926
   72   2HZ   LYS  10          1HZ       LYS  10   0.830   8.570   9.703
   73   3HZ   LYS  10          2HZ       LYS  10   0.908   6.998   9.230
   74    H    ILE  11           HN       ILE  11   2.415   8.504   1.649
   75    HA   ILE  11           HA       ILE  11   2.200   7.232  -0.877
   76    HB   ILE  11           HB       ILE  11   3.483   9.315  -0.277
   77   1HG1  ILE  11          2HG1      ILE  11   5.064   7.289  -1.883
   78   2HG1  ILE  11          3HG1      ILE  11   3.591   8.076  -2.459
   79   1HG2  ILE  11          2HG2      ILE  11   4.754   8.320   1.661
   80   2HG2  ILE  11          3HG2      ILE  11   5.720   7.406   0.494
   81   3HG2  ILE  11          1HG2      ILE  11   5.766   9.181   0.497
   82   1HD1  ILE  11          3HD1      ILE  11   4.701  10.313  -2.127
   83   2HD1  ILE  11          1HD1      ILE  11   6.215   9.452  -1.765
   84   3HD1  ILE  11          2HD1      ILE  11   5.460   9.294  -3.358
   85    H    VAL  12           HN       VAL  12   3.332   5.446  -1.738
   86    HA   VAL  12           HA       VAL  12   3.698   3.235   0.198
   87    HB   VAL  12           HB       VAL  12   3.006   3.565  -2.737
   88   1HG1  VAL  12          3HG1      VAL  12   4.370   1.492  -2.563
   89   2HG1  VAL  12          1HG1      VAL  12   3.177   0.849  -1.416
   90   3HG1  VAL  12          2HG1      VAL  12   2.696   1.229  -3.061
   91   1HG2  VAL  12          1HG2      VAL  12   1.221   3.954  -1.035
   92   2HG2  VAL  12          2HG2      VAL  12   0.852   2.581  -2.085
   93   3HG2  VAL  12          3HG2      VAL  12   1.449   2.307  -0.432
   94    H    TYR  13           HN       TYR  13   5.478   1.707  -0.114
   95    HA   TYR  13           HA       TYR  13   7.891   2.959  -1.356
   96   1HB   TYR  13          2HB       TYR  13   7.721   1.651   1.381
   97   2HB   TYR  13          3HB       TYR  13   9.166   2.293   0.617
   98    HD1  TYR  13           HD1      TYR  13   9.518   4.745   0.405
   99    HD2  TYR  13           HD2      TYR  13   6.075   3.110   2.425
  100    HE1  TYR  13           HE1      TYR  13   9.088   6.954   1.463
  101    HE2  TYR  13           HE2      TYR  13   5.642   5.286   3.473
  102    HH   TYR  13           HH       TYR  13   7.753   8.170   2.987
  103    HA   PRO  14           HA       PRO  14   8.243  -1.343  -2.806
  104   1HB   PRO  14          2HB       PRO  14  10.548  -1.180  -4.210
  105   2HB   PRO  14          3HB       PRO  14   9.002  -0.472  -4.778
  106   1HG   PRO  14          2HG       PRO  14  11.273   0.939  -3.348
  107   2HG   PRO  14          3HG       PRO  14  10.430   1.461  -4.832
  108   1HD   PRO  14          2HD       PRO  14   9.780   2.407  -2.352
  109   2HD   PRO  14          3HD       PRO  14   8.534   2.156  -3.618
  110    H    THR  15           HN       THR  15   8.407  -2.082  -0.863
  111    HA   THR  15           HA       THR  15  10.362  -3.628   0.154
  112    HB   THR  15           HB       THR  15  11.595  -1.599   0.698
  113    HG1  THR  15          1HG       THR  15  10.622  -2.881   3.037
  114   1HG2  THR  15          3HG2      THR  15   9.797   0.012   1.154
  115   2HG2  THR  15          1HG2      THR  15   9.396  -0.849   2.657
  116   3HG2  THR  15          2HG2      THR  15  10.971  -0.056   2.470
  117    H    GLU  16           HN       GLU  16   7.528  -1.620   0.521
  118    HA   GLU  16           HA       GLU  16   6.226  -3.606   2.298
  119   1HB   GLU  16          2HB       GLU  16   7.089  -1.264   3.219
  120   2HB   GLU  16          3HB       GLU  16   5.648  -0.653   2.415
  121   1HG   GLU  16          2HG       GLU  16   4.367  -2.476   3.730
  122   2HG   GLU  16          3HG       GLU  16   5.871  -2.809   4.581
  123    H    LYS  17           HN       LYS  17   6.199  -3.096  -0.754
  124    HA   LYS  17           HA       LYS  17   3.482  -2.086  -1.299
  125   1HB   LYS  17          2HB       LYS  17   5.707  -3.235  -3.033
  126   2HB   LYS  17          3HB       LYS  17   4.055  -3.108  -3.640
  127   1HG   LYS  17          2HG       LYS  17   3.972  -0.765  -3.302
  128   2HG   LYS  17          3HG       LYS  17   5.510  -0.747  -2.432
  129   1HD   LYS  17          2HD       LYS  17   5.883   0.149  -4.600
  130   2HD   LYS  17          3HD       LYS  17   6.657  -1.445  -4.557
  131   1HE   LYS  17          2HE       LYS  17   4.860  -2.440  -5.834
  132   2HE   LYS  17          3HE       LYS  17   3.849  -0.994  -5.655
  133   1HZ   LYS  17          1HZ       LYS  17   6.397  -1.039  -7.140
  134   2HZ   LYS  17          2HZ       LYS  17   4.935  -1.188  -7.842
  135   3HZ   LYS  17          3HZ       LYS  17   5.339   0.213  -7.034
  136    H    VAL  18           HN       VAL  18   2.612  -3.542   0.376
  137    HA   VAL  18           HA       VAL  18   2.152  -6.265   0.119
  138    HB   VAL  18           HB       VAL  18   0.178  -4.010   0.646
  139   1HG1  VAL  18          3HG1      VAL  18  -1.039  -6.128   0.181
  140   2HG1  VAL  18          1HG1      VAL  18  -0.092  -6.937   1.449
  141   3HG1  VAL  18          2HG1      VAL  18  -1.204  -5.614   1.845
  142   1HG2  VAL  18          1HG2      VAL  18   1.911  -5.614   2.556
  143   2HG2  VAL  18          2HG2      VAL  18   1.959  -3.866   2.269
  144   3HG2  VAL  18          3HG2      VAL  18   0.552  -4.606   3.065
  145    H    ASN  19           HN       ASN  19   0.963  -7.514  -1.405
  146    HA   ASN  19           HA       ASN  19   0.098  -6.056  -3.852
  147   1HB   ASN  19          2HB       ASN  19   1.604  -7.964  -4.248
  148   2HB   ASN  19          3HB       ASN  19   0.617  -8.997  -3.208
  149   1HD2  ASN  19          2HD2      ASN  19  -0.770  -8.172  -6.987
  150   2HD2  ASN  19          1HD2      ASN  19   0.511  -7.155  -6.355
  151    H    CYS  20           HN       CYS  20  -2.009  -6.131  -4.575
  152    HA   CYS  20           HA       CYS  20  -4.029  -7.743  -3.231
  153   1HB   CYS  20          2HB       CYS  20  -3.764  -5.743  -1.874
  154   2HB   CYS  20          3HB       CYS  20  -3.934  -4.692  -3.295
  155    HG   CYS  20           HG       CYS  20  -6.233  -6.812  -2.181
  156    H    LEU  21           HN       LEU  21  -6.133  -6.937  -4.331
  157    HA   LEU  21           HA       LEU  21  -6.594  -8.007  -6.639
  158   1HB   LEU  21          2HB       LEU  21  -7.867  -5.370  -5.805
  159   2HB   LEU  21          3HB       LEU  21  -8.560  -6.520  -6.943
  160    HG   LEU  21           HG       LEU  21  -7.961  -7.174  -4.024
  161   1HD1  LEU  21          3HD1      LEU  21  -9.624  -5.393  -4.126
  162   2HD1  LEU  21          1HD1      LEU  21 -10.604  -6.361  -5.248
  163   3HD1  LEU  21          2HD1      LEU  21 -10.328  -6.925  -3.588
  164   1HD2  LEU  21          1HD2      LEU  21  -8.122  -9.163  -5.485
  165   2HD2  LEU  21          2HD2      LEU  21  -9.484  -9.071  -4.364
  166   3HD2  LEU  21          3HD2      LEU  21  -9.697  -8.606  -6.066
  167    H    ASP  22           HN       ASP  22  -6.249  -4.446  -6.692
  168    HA   ASP  22           HA       ASP  22  -4.877  -4.582  -9.313
  169   1HB   ASP  22          2HB       ASP  22  -6.173  -2.759 -10.053
  170   2HB   ASP  22          3HB       ASP  22  -7.340  -3.822  -9.276
  171    H    LYS  23           HN       LYS  23  -4.272  -3.830  -6.125
  172    HA   LYS  23           HA       LYS  23  -2.646  -1.422  -6.715
  173   1HB   LYS  23          2HB       LYS  23  -3.737  -0.195  -4.801
  174   2HB   LYS  23          3HB       LYS  23  -4.726  -0.462  -6.174
  175   1HG   LYS  23          2HG       LYS  23  -5.795  -2.439  -4.959
  176   2HG   LYS  23          3HG       LYS  23  -4.819  -2.030  -3.547
  177   1HD   LYS  23          2HD       LYS  23  -6.163  -0.252  -2.984
  178   2HD   LYS  23          3HD       LYS  23  -6.307   0.280  -4.657
  179   1HE   LYS  23          2HE       LYS  23  -7.826  -1.840  -4.941
  180   2HE   LYS  23          3HE       LYS  23  -7.979  -1.775  -3.180
  181   1HZ   LYS  23          1HZ       LYS  23  -8.545   0.447  -5.025
  182   2HZ   LYS  23          2HZ       LYS  23  -9.697  -0.558  -4.468
  183   3HZ   LYS  23          3HZ       LYS  23  -8.911   0.423  -3.396
  184    H    PHE  24           HN       PHE  24  -2.033  -0.574  -4.463
  185    HA   PHE  24           HA       PHE  24  -0.471  -2.712  -3.097
  186   1HB   PHE  24          2HB       PHE  24   0.421   0.171  -3.417
  187   2HB   PHE  24          3HB       PHE  24   1.371  -1.175  -2.792
  188    HD1  PHE  24          1HD       PHE  24   1.661  -3.235  -4.482
  189    HD2  PHE  24          2HD       PHE  24   0.666   0.798  -5.666
  190    HE1  PHE  24          1HE       PHE  24   2.490  -3.686  -6.766
  191    HE2  PHE  24          2HE       PHE  24   1.499   0.334  -7.951
  192    HZ   PHE  24           HZ       PHE  24   2.403  -1.908  -8.510
  193    H    TRP  25           HN       TRP  25   0.183  -2.112  -0.833
  194    HA   TRP  25           HA       TRP  25  -1.424  -0.019   0.470
  195   1HB   TRP  25          2HB       TRP  25  -1.299  -2.820   1.662
  196   2HB   TRP  25          3HB       TRP  25  -2.200  -1.435   2.234
  197    HD1  TRP  25           HD1      TRP  25  -2.336  -4.154  -0.477
  198    HE1  TRP  25           HE1      TRP  25  -4.699  -4.188  -1.450
  199    HE3  TRP  25           HE3      TRP  25  -4.203   0.081   1.653
  200    HZ2  TRP  25           HZ2      TRP  25  -7.057  -2.546  -1.464
  201    HZ3  TRP  25           HZ3      TRP  25  -6.523   0.878   1.038
  202    HH2  TRP  25           HH2      TRP  25  -7.927  -0.438  -0.479
  203    H    HIS  26           HN       HIS  26  -0.563  -0.872   3.046
  204    HA   HIS  26           HA       HIS  26   2.386  -1.021   2.990
  205   1HB   HIS  26          2HB       HIS  26   0.738   0.356   5.153
  206   2HB   HIS  26          3HB       HIS  26   2.454   0.088   5.196
  207    HD2  HIS  26           HD2      HIS  26   3.952   1.471   3.186
  208    HE1  HIS  26           HE1      HIS  26   1.011   4.500   2.758
  209    HE2  HIS  26           HE2      HIS  26   3.427   3.913   2.318
  210    H    LYS  27           HN       LYS  27   3.040  -2.280   5.068
  211    HA   LYS  27           HA       LYS  27   1.748  -4.731   5.100
  212   1HB   LYS  27          2HB       LYS  27   4.137  -4.013   5.749
  213   2HB   LYS  27          3HB       LYS  27   3.488  -3.572   7.315
  214   1HG   LYS  27          2HG       LYS  27   4.550  -5.711   7.387
  215   2HG   LYS  27          3HG       LYS  27   2.820  -5.922   7.692
  216   1HD   LYS  27          2HD       LYS  27   2.458  -6.956   5.588
  217   2HD   LYS  27          3HD       LYS  27   3.982  -6.329   4.911
  218   1HE   LYS  27          2HE       LYS  27   5.317  -7.784   6.271
  219   2HE   LYS  27          3HE       LYS  27   3.935  -8.253   7.259
  220   1HZ   LYS  27          3HZ       LYS  27   4.138  -8.950   4.387
  221   2HZ   LYS  27          1HZ       LYS  27   4.596  -9.926   5.635
  222   3HZ   LYS  27          2HZ       LYS  27   3.034  -9.474   5.481
  223    H    ALA  28           HN       ALA  28   1.513  -2.008   7.334
  224    HA   ALA  28           HA       ALA  28  -0.384  -3.236   9.127
  225   1HB   ALA  28          2HB       ALA  28   0.525  -0.355   8.768
  226   2HB   ALA  28          3HB       ALA  28  -0.454  -0.955  10.119
  227   3HB   ALA  28          1HB       ALA  28   1.195  -1.558   9.899
  228    H    CYS  29           HN       CYS  29  -0.958  -2.000   5.986
  229    HA   CYS  29           HA       CYS  29  -3.531  -0.743   6.743
  230   1HB   CYS  29          2HB       CYS  29  -1.655  -0.376   4.384
  231   2HB   CYS  29          3HB       CYS  29  -3.211   0.401   4.529
  232    H    PHE  30           HN       PHE  30  -2.536  -3.654   5.395
  233    HA   PHE  30           HA       PHE  30  -3.849  -3.729   2.915
  234   1HB   PHE  30          2HB       PHE  30  -2.159  -5.374   3.792
  235   2HB   PHE  30          3HB       PHE  30  -3.394  -6.036   4.840
  236    HD1  PHE  30          1HD       PHE  30  -4.833  -5.198   1.565
  237    HD2  PHE  30          2HD       PHE  30  -2.496  -8.154   3.692
  238    HE1  PHE  30          1HE       PHE  30  -5.374  -6.867  -0.140
  239    HE2  PHE  30          2HE       PHE  30  -3.028  -9.816   1.928
  240    HZ   PHE  30           HZ       PHE  30  -4.456  -9.158  -0.009
   
  No H/Q in entry =         240
  Start of MODEL   10
    1   1H    ACE   0          1HC       ACE   0  10.327  10.851  -9.184
    2   2H    ACE   0          2HC       ACE   0  10.890  11.323  -7.571
    3   3H    ACE   0          3HC       ACE   0  10.798   9.603  -8.002
    4    H    MET   1           HN       MET   1   8.616   8.679  -8.392
    5    HA   MET   1           HA       MET   1   6.586   9.823  -6.594
    6   1HB   MET   1          2HB       MET   1   6.182   9.183  -9.537
    7   2HB   MET   1          3HB       MET   1   4.856   8.975  -8.397
    8   1HG   MET   1          2HG       MET   1   4.481  11.166  -8.159
    9   2HG   MET   1          3HG       MET   1   6.180  11.579  -8.080
   10   1HE   MET   1          1HE       MET   1   7.647  12.374  -9.937
   11   2HE   MET   1          2HE       MET   1   6.849  13.391 -11.158
   12   3HE   MET   1          3HE       MET   1   6.492  13.627  -9.434
   13    H    ASN   2           HN       ASN   2   5.036   8.131  -5.978
   14    HA   ASN   2           HA       ASN   2   5.733   5.344  -6.544
   15   1HB   ASN   2          2HB       ASN   2   6.216   6.694  -3.882
   16   2HB   ASN   2          3HB       ASN   2   5.671   5.028  -3.892
   17   1HD2  ASN   2          2HD2      ASN   2   9.546   5.852  -4.507
   18   2HD2  ASN   2          1HD2      ASN   2   8.397   7.182  -4.410
   19    HA   PRO   3           HA       PRO   3   1.335   4.917  -5.926
   20   1HB   PRO   3          2HB       PRO   3   1.195   2.651  -4.216
   21   2HB   PRO   3          3HB       PRO   3   1.134   2.725  -6.006
   22   1HG   PRO   3          2HG       PRO   3   3.392   2.001  -4.225
   23   2HG   PRO   3          3HG       PRO   3   3.070   1.511  -5.914
   24   1HD   PRO   3          2HD       PRO   3   4.972   3.366  -5.167
   25   2HD   PRO   3          3HD       PRO   3   4.176   3.348  -6.761
   26    H    ASN   4           HN       ASN   4  -0.455   4.633  -4.116
   27    HA   ASN   4           HA       ASN   4   0.301   6.255  -1.714
   28   1HB   ASN   4          2HB       ASN   4  -1.874   6.796  -3.768
   29   2HB   ASN   4          3HB       ASN   4  -1.884   7.482  -2.154
   30   1HD2  ASN   4          2HD2      ASN   4   1.409   9.203  -3.451
   31   2HD2  ASN   4          1HD2      ASN   4   1.414   7.525  -2.941
   32    H    CYS   5           HN       CYS   5  -0.551   5.447   0.108
   33    HA   CYS   5           HA       CYS   5  -2.223   3.133   0.130
   34   1HB   CYS   5          2HB       CYS   5  -0.465   3.793   1.796
   35   2HB   CYS   5          3HB       CYS   5  -1.554   5.049   2.396
   36    H    ALA   6           HN       ALA   6  -4.217   3.304  -0.567
   37    HA   ALA   6           HA       ALA   6  -5.924   5.617  -0.202
   38   1HB   ALA   6          3HB       ALA   6  -6.499   2.763  -1.062
   39   2HB   ALA   6          1HB       ALA   6  -7.675   4.089  -1.065
   40   3HB   ALA   6          2HB       ALA   6  -6.240   4.185  -2.093
   41    H    ARG   7           HN       ARG   7  -4.789   3.430   2.137
   42    HA   ARG   7           HA       ARG   7  -7.298   3.557   3.755
   43   1HB   ARG   7          2HB       ARG   7  -4.856   1.830   3.775
   44   2HB   ARG   7          3HB       ARG   7  -5.515   2.231   5.347
   45   1HG   ARG   7          2HG       ARG   7  -7.419   1.200   3.243
   46   2HG   ARG   7          3HG       ARG   7  -6.281   0.091   4.000
   47   1HD   ARG   7          2HD       ARG   7  -8.355  -0.028   5.172
   48   2HD   ARG   7          3HD       ARG   7  -7.143   0.667   6.228
   49    HE   ARG   7           HE       ARG   7  -9.387   2.091   4.853
   50   1HH1  ARG   7          2HH2      ARG   7  -6.902   2.179   7.438
   51   2HH1  ARG   7          1HH2      ARG   7  -7.555   3.592   8.158
   52   1HH2  ARG   7          2HH1      ARG   7 -10.341   3.813   5.959
   53   2HH2  ARG   7          1HH1      ARG   7  -9.565   4.481   7.371
   54    H    CYS   8           HN       CYS   8  -3.734   4.108   4.327
   55    HA   CYS   8           HA       CYS   8  -4.539   5.718   6.627
   56   1HB   CYS   8          2HB       CYS   8  -2.212   5.709   7.186
   57   2HB   CYS   8          3HB       CYS   8  -2.690   4.069   6.710
   58    H    GLY   9           HN       GLY   9  -2.915   6.276   3.532
   59   1HA   GLY   9          1HA       GLY   9  -3.469   8.365   2.301
   60   2HA   GLY   9          2HA       GLY   9  -3.300   9.237   3.815
   61    H    LYS  10           HN       LYS  10  -0.741   6.979   3.880
   62    HA   LYS  10           HA       LYS  10   1.104   9.024   2.834
   63   1HB   LYS  10          2HB       LYS  10   1.605   6.416   4.302
   64   2HB   LYS  10          3HB       LYS  10   2.854   7.527   3.746
   65   1HG   LYS  10          2HG       LYS  10   1.265   9.282   5.083
   66   2HG   LYS  10          3HG       LYS  10   0.848   7.829   5.954
   67   1HD   LYS  10          2HD       LYS  10   2.669   8.866   7.154
   68   2HD   LYS  10          3HD       LYS  10   3.308   7.414   6.387
   69   1HE   LYS  10          2HE       LYS  10   4.208   8.845   4.522
   70   2HE   LYS  10          3HE       LYS  10   3.585  10.275   5.367
   71   1HZ   LYS  10          2HZ       LYS  10   5.037   9.684   7.226
   72   2HZ   LYS  10          3HZ       LYS  10   5.694   8.443   6.357
   73   3HZ   LYS  10          1HZ       LYS  10   5.866   9.998   5.862
   74    H    ILE  11           HN       ILE  11   2.871   8.588   1.425
   75    HA   ILE  11           HA       ILE  11   2.325   7.111  -0.914
   76    HB   ILE  11           HB       ILE  11   3.881   9.130  -0.423
   77   1HG1  ILE  11          2HG1      ILE  11   4.812   6.947  -2.284
   78   2HG1  ILE  11          3HG1      ILE  11   3.511   8.093  -2.607
   79   1HG2  ILE  11          2HG2      ILE  11   5.269   7.861   1.305
   80   2HG2  ILE  11          3HG2      ILE  11   5.999   6.975  -0.043
   81   3HG2  ILE  11          1HG2      ILE  11   6.186   8.735   0.073
   82   1HD1  ILE  11          3HD1      ILE  11   5.129   9.995  -2.344
   83   2HD1  ILE  11          1HD1      ILE  11   6.443   8.792  -2.276
   84   3HD1  ILE  11          2HD1      ILE  11   5.440   8.939  -3.730
   85    H    VAL  12           HN       VAL  12   3.341   5.134  -1.697
   86    HA   VAL  12           HA       VAL  12   3.943   3.203   0.492
   87    HB   VAL  12           HB       VAL  12   2.606   2.583  -2.154
   88   1HG1  VAL  12          3HG1      VAL  12   3.764   0.706  -0.941
   89   2HG1  VAL  12          1HG1      VAL  12   2.742   1.019   0.472
   90   3HG1  VAL  12          2HG1      VAL  12   2.007   0.487  -1.053
   91   1HG2  VAL  12          3HG2      VAL  12   1.132   4.062  -0.869
   92   2HG2  VAL  12          1HG2      VAL  12   0.486   2.420  -0.956
   93   3HG2  VAL  12          2HG2      VAL  12   1.258   2.992   0.536
   94    H    TYR  13           HN       TYR  13   6.132   3.239   0.511
   95    HA   TYR  13           HA       TYR  13   7.730   3.175  -1.878
   96   1HB   TYR  13          2HB       TYR  13   8.290   2.605   1.063
   97   2HB   TYR  13          3HB       TYR  13   9.520   2.498  -0.184
   98    HD1  TYR  13           HD1      TYR  13   9.739   4.540  -1.817
   99    HD2  TYR  13           HD2      TYR  13   8.028   4.757   2.144
  100    HE1  TYR  13           HE1      TYR  13  10.272   6.935  -1.737
  101    HE2  TYR  13           HE2      TYR  13   8.549   7.172   2.229
  102    HH   TYR  13           HH       TYR  13   9.791   8.893   1.222
  103    HA   PRO  14           HA       PRO  14   7.353  -0.836  -3.240
  104   1HB   PRO  14          2HB       PRO  14  10.055  -1.653  -3.660
  105   2HB   PRO  14          3HB       PRO  14   8.923  -0.889  -4.805
  106   1HG   PRO  14          2HG       PRO  14  11.077   0.357  -3.162
  107   2HG   PRO  14          3HG       PRO  14  10.435   0.877  -4.745
  108   1HD   PRO  14          2HD       PRO  14   9.813   2.159  -2.424
  109   2HD   PRO  14          3HD       PRO  14   8.649   2.022  -3.763
  110    H    THR  15           HN       THR  15   9.811  -0.800  -0.649
  111    HA   THR  15           HA       THR  15   9.746  -3.556  -0.072
  112    HB   THR  15           HB       THR  15  10.162  -1.216   1.843
  113    HG1  THR  15          1HG       THR  15  11.549  -1.108   0.126
  114   1HG2  THR  15          3HG2      THR  15  11.102  -4.113   2.036
  115   2HG2  THR  15          1HG2      THR  15  11.607  -2.788   3.107
  116   3HG2  THR  15          2HG2      THR  15   9.926  -3.314   3.102
  117    H    GLU  16           HN       GLU  16   7.430  -0.988   0.812
  118    HA   GLU  16           HA       GLU  16   6.164  -2.827   2.753
  119   1HB   GLU  16          2HB       GLU  16   6.857  -0.364   3.211
  120   2HB   GLU  16          3HB       GLU  16   5.469   0.081   2.227
  121   1HG   GLU  16          2HG       GLU  16   4.793   0.156   4.501
  122   2HG   GLU  16          3HG       GLU  16   4.101  -1.340   3.884
  123    H    LYS  17           HN       LYS  17   5.652  -1.529  -0.490
  124    HA   LYS  17           HA       LYS  17   3.036  -1.587  -0.925
  125   1HB   LYS  17          2HB       LYS  17   5.290  -0.971  -2.205
  126   2HB   LYS  17          3HB       LYS  17   5.157  -2.599  -2.856
  127   1HG   LYS  17          2HG       LYS  17   2.735  -1.897  -3.405
  128   2HG   LYS  17          3HG       LYS  17   3.314  -0.240  -3.072
  129   1HD   LYS  17          2HD       LYS  17   4.482  -2.168  -5.136
  130   2HD   LYS  17          3HD       LYS  17   3.396  -0.836  -5.530
  131   1HE   LYS  17          2HE       LYS  17   4.995   0.795  -5.244
  132   2HE   LYS  17          3HE       LYS  17   5.830  -0.079  -3.974
  133   1HZ   LYS  17          3HZ       LYS  17   6.743  -1.544  -5.688
  134   2HZ   LYS  17          1HZ       LYS  17   5.948  -0.650  -6.857
  135   3HZ   LYS  17          2HZ       LYS  17   7.119   0.048  -5.992
  136    H    VAL  18           HN       VAL  18   1.862  -3.329   0.101
  137    HA   VAL  18           HA       VAL  18   2.206  -5.942  -0.837
  138    HB   VAL  18           HB       VAL  18   0.199  -6.509   0.190
  139   1HG1  VAL  18          1HG1      VAL  18   1.842  -5.702   1.835
  140   2HG1  VAL  18          2HG1      VAL  18   1.066  -4.104   1.836
  141   3HG1  VAL  18          3HG1      VAL  18   0.177  -5.532   2.401
  142   1HG2  VAL  18          1HG2      VAL  18  -0.694  -3.653  -0.081
  143   2HG2  VAL  18          2HG2      VAL  18  -1.387  -5.088  -0.863
  144   3HG2  VAL  18          3HG2      VAL  18  -1.566  -4.881   0.878
  145    H    ASN  19           HN       ASN  19   0.830  -6.894  -2.548
  146    HA   ASN  19           HA       ASN  19  -1.059  -5.182  -3.950
  147   1HB   ASN  19          2HB       ASN  19   0.753  -4.823  -5.466
  148   2HB   ASN  19          3HB       ASN  19   1.110  -6.561  -5.547
  149   1HD2  ASN  19          2HD2      ASN  19  -1.803  -7.379  -7.511
  150   2HD2  ASN  19          1HD2      ASN  19  -0.608  -7.950  -6.338
  151    H    CYS  20           HN       CYS  20  -2.665  -6.357  -3.047
  152    HA   CYS  20           HA       CYS  20  -2.474  -9.305  -3.242
  153   1HB   CYS  20          2HB       CYS  20  -4.315  -7.592  -1.524
  154   2HB   CYS  20          3HB       CYS  20  -4.111  -9.346  -1.422
  155    HG   CYS  20           HG       CYS  20  -2.943  -8.345   0.632
  156    H    LEU  21           HN       LEU  21  -3.526  -7.227  -5.120
  157    HA   LEU  21           HA       LEU  21  -5.417  -8.848  -6.517
  158   1HB   LEU  21          2HB       LEU  21  -6.571  -6.204  -5.450
  159   2HB   LEU  21          3HB       LEU  21  -7.195  -7.110  -6.821
  160    HG   LEU  21           HG       LEU  21  -7.384  -9.082  -5.021
  161   1HD1  LEU  21          2HD1      LEU  21  -6.461  -7.644  -3.118
  162   2HD1  LEU  21          3HD1      LEU  21  -7.819  -6.546  -3.366
  163   3HD1  LEU  21          1HD1      LEU  21  -8.106  -8.221  -2.838
  164   1HD2  LEU  21          3HD2      LEU  21  -9.222  -8.108  -6.348
  165   2HD2  LEU  21          1HD2      LEU  21  -9.718  -8.399  -4.682
  166   3HD2  LEU  21          2HD2      LEU  21  -9.343  -6.745  -5.222
  167    H    ASP  22           HN       ASP  22  -5.717  -5.436  -6.904
  168    HA   ASP  22           HA       ASP  22  -3.362  -5.093  -8.676
  169   1HB   ASP  22          2HB       ASP  22  -5.372  -5.422 -10.019
  170   2HB   ASP  22          3HB       ASP  22  -6.258  -4.230  -9.080
  171    H    LYS  23           HN       LYS  23  -4.639  -4.299  -5.760
  172    HA   LYS  23           HA       LYS  23  -4.245  -1.361  -6.029
  173   1HB   LYS  23          2HB       LYS  23  -5.890  -2.702  -3.880
  174   2HB   LYS  23          3HB       LYS  23  -5.815  -1.002  -4.291
  175   1HG   LYS  23          2HG       LYS  23  -7.356  -3.235  -5.560
  176   2HG   LYS  23          3HG       LYS  23  -7.900  -1.650  -5.049
  177   1HD   LYS  23          2HD       LYS  23  -6.510  -2.433  -7.621
  178   2HD   LYS  23          3HD       LYS  23  -8.093  -1.755  -7.419
  179   1HE   LYS  23          2HE       LYS  23  -7.378   0.365  -7.477
  180   2HE   LYS  23          3HE       LYS  23  -6.055   0.047  -6.354
  181   1HZ   LYS  23          3HZ       LYS  23  -4.801  -0.899  -8.235
  182   2HZ   LYS  23          1HZ       LYS  23  -5.997  -0.503  -9.267
  183   3HZ   LYS  23          2HZ       LYS  23  -5.159   0.670  -8.457
  184    H    PHE  24           HN       PHE  24  -3.084  -0.330  -4.342
  185    HA   PHE  24           HA       PHE  24  -1.015  -2.142  -3.239
  186   1HB   PHE  24          2HB       PHE  24   0.399   0.049  -3.487
  187   2HB   PHE  24          3HB       PHE  24   0.154  -1.053  -4.817
  188    HD1  PHE  24          2HD       PHE  24  -1.469   2.099  -3.405
  189    HD2  PHE  24          1HD       PHE  24  -0.334  -0.165  -6.907
  190    HE1  PHE  24          2HE       PHE  24  -2.300   3.909  -4.855
  191    HE2  PHE  24          1HE       PHE  24  -1.126   1.677  -8.346
  192    HZ   PHE  24           HZ       PHE  24  -2.123   3.712  -7.326
  193    H    TRP  25           HN       TRP  25  -0.502  -1.984  -1.155
  194    HA   TRP  25           HA       TRP  25  -1.565   0.238   0.470
  195   1HB   TRP  25          2HB       TRP  25  -1.983  -2.632   1.374
  196   2HB   TRP  25          3HB       TRP  25  -2.661  -1.156   1.993
  197    HD1  TRP  25           HD1      TRP  25  -3.086  -3.572  -0.965
  198    HE1  TRP  25           HE1      TRP  25  -5.349  -3.193  -2.083
  199    HE3  TRP  25           HE3      TRP  25  -4.576   0.470   1.693
  200    HZ2  TRP  25           HZ2      TRP  25  -7.529  -1.300  -1.910
  201    HZ3  TRP  25           HZ3      TRP  25  -6.812   1.565   1.192
  202    HH2  TRP  25           HH2      TRP  25  -8.262   0.672  -0.591
  203    H    HIS  26           HN       HIS  26  -0.581  -0.010   2.732
  204    HA   HIS  26           HA       HIS  26   2.228  -0.976   2.635
  205   1HB   HIS  26          2HB       HIS  26   0.655   0.270   4.938
  206   2HB   HIS  26          3HB       HIS  26   2.375  -0.064   4.947
  207    HD2  HIS  26           HD2      HIS  26   3.866   1.377   2.938
  208    HE1  HIS  26           HE1      HIS  26   1.182   4.662   3.164
  209    HE2  HIS  26           HE2      HIS  26   3.477   3.953   2.399
  210    H    LYS  27           HN       LYS  27   2.916  -2.232   4.617
  211    HA   LYS  27           HA       LYS  27   2.173  -4.727   4.889
  212   1HB   LYS  27          2HB       LYS  27   4.038  -3.648   6.066
  213   2HB   LYS  27          3HB       LYS  27   2.933  -2.850   7.169
  214   1HG   LYS  27          2HG       LYS  27   3.837  -4.643   8.382
  215   2HG   LYS  27          3HG       LYS  27   2.215  -5.163   7.978
  216   1HD   LYS  27          2HD       LYS  27   3.899  -6.071   5.824
  217   2HD   LYS  27          3HD       LYS  27   4.811  -6.315   7.304
  218   1HE   LYS  27          2HE       LYS  27   3.604  -8.327   6.913
  219   2HE   LYS  27          3HE       LYS  27   2.852  -7.524   8.295
  220   1HZ   LYS  27          1HZ       LYS  27   1.167  -6.670   6.688
  221   2HZ   LYS  27          2HZ       LYS  27   1.850  -7.588   5.511
  222   3HZ   LYS  27          3HZ       LYS  27   1.161  -8.286   6.844
  223    H    ALA  28           HN       ALA  28   0.817  -2.485   7.372
  224    HA   ALA  28           HA       ALA  28  -1.365  -4.419   7.823
  225   1HB   ALA  28          2HB       ALA  28  -0.020  -3.680   9.737
  226   2HB   ALA  28          3HB       ALA  28  -0.580  -2.010   9.484
  227   3HB   ALA  28          1HB       ALA  28  -1.729  -3.292   9.910
  228    H    CYS  29           HN       CYS  29  -1.109  -2.065   5.595
  229    HA   CYS  29           HA       CYS  29  -3.820  -0.921   5.992
  230   1HB   CYS  29          2HB       CYS  29  -1.557  -0.271   4.094
  231   2HB   CYS  29          3HB       CYS  29  -3.173   0.421   3.958
  232    H    PHE  30           HN       PHE  30  -2.408  -3.689   4.660
  233    HA   PHE  30           HA       PHE  30  -3.913  -4.183   2.324
  234   1HB   PHE  30          2HB       PHE  30  -2.200  -5.736   3.010
  235   2HB   PHE  30          3HB       PHE  30  -2.980  -5.985   4.568
  236    HD1  PHE  30          1HD       PHE  30  -4.544  -6.108   1.109
  237    HD2  PHE  30          2HD       PHE  30  -3.399  -8.290   4.651
  238    HE1  PHE  30          1HE       PHE  30  -5.770  -8.103   0.297
  239    HE2  PHE  30          2HE       PHE  30  -4.563 -10.293   3.790
  240    HZ   PHE  30           HZ       PHE  30  -5.755 -10.203   1.606
   
  No H/Q in entry =         240
  Start of MODEL   11
    1   1H    ACE   0          1HC       ACE   0   5.670  12.763  -2.993
    2   2H    ACE   0          2HC       ACE   0   7.445  12.770  -2.927
    3   3H    ACE   0          3HC       ACE   0   6.612  13.739  -4.151
    4    H    MET   1           HN       MET   1   5.462  12.636  -5.884
    5    HA   MET   1           HA       MET   1   5.107  11.106  -7.436
    6   1HB   MET   1          2HB       MET   1   7.348  12.442  -7.577
    7   2HB   MET   1          3HB       MET   1   8.127  10.908  -7.217
    8   1HG   MET   1          2HG       MET   1   8.179  11.184  -9.534
    9   2HG   MET   1          3HG       MET   1   6.952   9.956  -9.245
   10   1HE   MET   1          3HE       MET   1   7.852  12.149 -11.703
   11   2HE   MET   1          1HE       MET   1   6.872  10.700 -12.024
   12   3HE   MET   1          2HE       MET   1   6.292  12.301 -12.528
   13    H    ASN   2           HN       ASN   2   4.588   9.632  -5.140
   14    HA   ASN   2           HA       ASN   2   5.407   6.940  -6.049
   15   1HB   ASN   2          2HB       ASN   2   6.111   8.096  -3.357
   16   2HB   ASN   2          3HB       ASN   2   5.598   6.415  -3.407
   17   1HD2  ASN   2          2HD2      ASN   2   9.370   7.172  -4.394
   18   2HD2  ASN   2          1HD2      ASN   2   8.368   8.006  -3.207
   19    HA   PRO   3           HA       PRO   3   1.258   5.945  -5.502
   20   1HB   PRO   3          2HB       PRO   3   1.301   3.385  -4.381
   21   2HB   PRO   3          3HB       PRO   3   1.547   3.763  -6.112
   22   1HG   PRO   3          2HG       PRO   3   3.591   3.233  -3.954
   23   2HG   PRO   3          3HG       PRO   3   3.587   2.670  -5.655
   24   1HD   PRO   3          2HD       PRO   3   5.087   4.770  -4.831
   25   2HD   PRO   3          3HD       PRO   3   4.314   4.774  -6.440
   26    H    ASN   4           HN       ASN   4  -0.510   5.646  -3.983
   27    HA   ASN   4           HA       ASN   4   0.246   6.235  -1.145
   28   1HB   ASN   4          2HB       ASN   4  -2.004   7.266  -2.846
   29   2HB   ASN   4          3HB       ASN   4  -2.179   7.083  -1.092
   30   1HD2  ASN   4          2HD2      ASN   4  -0.242  10.311  -2.359
   31   2HD2  ASN   4          1HD2      ASN   4  -1.202   9.292  -3.414
   32    H    CYS   5           HN       CYS   5  -0.582   5.040   0.416
   33    HA   CYS   5           HA       CYS   5  -2.029   2.548   0.053
   34   1HB   CYS   5          2HB       CYS   5  -0.361   3.107   1.860
   35   2HB   CYS   5          3HB       CYS   5  -1.413   4.428   2.350
   36    H    ALA   6           HN       ALA   6  -4.199   2.723  -0.635
   37    HA   ALA   6           HA       ALA   6  -5.565   5.232  -0.427
   38   1HB   ALA   6          2HB       ALA   6  -5.934   3.638  -2.274
   39   2HB   ALA   6          3HB       ALA   6  -6.732   2.524  -1.153
   40   3HB   ALA   6          1HB       ALA   6  -7.435   4.118  -1.484
   41    H    ARG   7           HN       ARG   7  -4.982   3.149   2.105
   42    HA   ARG   7           HA       ARG   7  -7.667   3.470   3.353
   43   1HB   ARG   7          2HB       ARG   7  -5.346   1.621   3.717
   44   2HB   ARG   7          3HB       ARG   7  -6.122   2.122   5.213
   45   1HG   ARG   7          2HG       ARG   7  -7.672   0.954   2.871
   46   2HG   ARG   7          3HG       ARG   7  -6.985  -0.020   4.173
   47   1HD   ARG   7          2HD       ARG   7  -8.363   1.160   5.838
   48   2HD   ARG   7          3HD       ARG   7  -8.992   2.232   4.595
   49    HE   ARG   7           HE       ARG   7 -10.326   0.574   3.724
   50   1HH1  ARG   7          2HH2      ARG   7  -8.428  -0.877   6.419
   51   2HH1  ARG   7          1HH2      ARG   7  -9.487  -2.241   6.539
   52   1HH2  ARG   7          2HH1      ARG   7 -11.526  -1.218   3.807
   53   2HH2  ARG   7          1HH1      ARG   7 -11.213  -2.536   4.918
   54    H    CYS   8           HN       CYS   8  -4.200   4.446   3.848
   55    HA   CYS   8           HA       CYS   8  -5.103   6.159   6.091
   56   1HB   CYS   8          2HB       CYS   8  -2.746   6.059   6.732
   57   2HB   CYS   8          3HB       CYS   8  -3.340   4.404   6.442
   58    H    GLY   9           HN       GLY   9  -3.736   6.217   2.832
   59   1HA   GLY   9          1HA       GLY   9  -3.669   7.992   1.338
   60   2HA   GLY   9          2HA       GLY   9  -4.024   9.140   2.636
   61    H    LYS  10           HN       LYS  10  -1.493   6.863   3.493
   62    HA   LYS  10           HA       LYS  10   0.504   9.019   3.135
   63   1HB   LYS  10          2HB       LYS  10   0.682   6.360   4.594
   64   2HB   LYS  10          3HB       LYS  10   1.871   7.638   4.668
   65   1HG   LYS  10          2HG       LYS  10  -0.924   8.408   5.525
   66   2HG   LYS  10          3HG       LYS  10  -0.160   7.152   6.463
   67   1HD   LYS  10          2HD       LYS  10   0.332   9.196   7.543
   68   2HD   LYS  10          3HD       LYS  10   1.835   8.669   6.785
   69   1HE   LYS  10          2HE       LYS  10   1.327  10.233   4.855
   70   2HE   LYS  10          3HE       LYS  10  -0.120  10.764   5.729
   71   1HZ   LYS  10          1HZ       LYS  10   1.380  11.445   7.548
   72   2HZ   LYS  10          2HZ       LYS  10   2.681  11.109   6.578
   73   3HZ   LYS  10          3HZ       LYS  10   1.590  12.291   6.175
   74    H    ILE  11           HN       ILE  11   2.425   8.679   1.957
   75    HA   ILE  11           HA       ILE  11   2.254   7.092  -0.326
   76    HB   ILE  11           HB       ILE  11   3.948   9.127   0.707
   77   1HG1  ILE  11          2HG1      ILE  11   4.001   7.843  -2.039
   78   2HG1  ILE  11          3HG1      ILE  11   2.715   8.914  -1.488
   79   1HG2  ILE  11          1HG2      ILE  11   5.644   7.387   1.278
   80   2HG2  ILE  11          2HG2      ILE  11   5.668   6.886  -0.428
   81   3HG2  ILE  11          3HG2      ILE  11   6.192   8.507   0.033
   82   1HD1  ILE  11          3HD1      ILE  11   5.636   9.730  -1.730
   83   2HD1  ILE  11          1HD1      ILE  11   4.333  10.133  -2.845
   84   3HD1  ILE  11          2HD1      ILE  11   4.297  10.760  -1.181
   85    H    VAL  12           HN       VAL  12   3.415   5.313  -1.061
   86    HA   VAL  12           HA       VAL  12   4.103   3.290   1.007
   87    HB   VAL  12           HB       VAL  12   2.699   3.144  -1.690
   88   1HG1  VAL  12          1HG1      VAL  12   3.544   0.800   0.065
   89   2HG1  VAL  12          2HG1      VAL  12   2.360   0.723  -1.254
   90   3HG1  VAL  12          3HG1      VAL  12   4.028   1.146  -1.625
   91   1HG2  VAL  12          1HG2      VAL  12   1.354   3.817   0.334
   92   2HG2  VAL  12          2HG2      VAL  12   0.810   2.312  -0.415
   93   3HG2  VAL  12          3HG2      VAL  12   1.768   2.264   1.077
   94    H    TYR  13           HN       TYR  13   5.570   1.501  -0.044
   95    HA   TYR  13           HA       TYR  13   7.854   2.824  -1.386
   96   1HB   TYR  13          2HB       TYR  13   7.935   0.993   1.048
   97   2HB   TYR  13          3HB       TYR  13   9.326   1.648   0.202
   98    HD1  TYR  13           HD2      TYR  13   6.490   2.458   2.458
   99    HD2  TYR  13           HD1      TYR  13  10.035   3.966   0.508
  100    HE1  TYR  13           HE2      TYR  13   6.356   4.508   3.818
  101    HE2  TYR  13           HE1      TYR  13   9.939   6.001   1.911
  102    HH   TYR  13           HH       TYR  13   7.177   6.679   4.047
  103    HA   PRO  14           HA       PRO  14   7.665  -1.010  -3.723
  104   1HB   PRO  14          2HB       PRO  14   9.958  -0.945  -5.092
  105   2HB   PRO  14          3HB       PRO  14   8.595   0.180  -5.404
  106   1HG   PRO  14          2HG       PRO  14  11.090   0.703  -3.751
  107   2HG   PRO  14          3HG       PRO  14  10.378   1.741  -5.022
  108   1HD   PRO  14          2HD       PRO  14   9.879   2.092  -2.333
  109   2HD   PRO  14          3HD       PRO  14   8.651   2.461  -3.581
  110    H    THR  15           HN       THR  15   7.664  -2.094  -1.910
  111    HA   THR  15           HA       THR  15   9.297  -4.278  -1.414
  112    HB   THR  15           HB       THR  15   9.901  -1.917   0.400
  113    HG1  THR  15          1HG       THR  15  11.305  -2.573  -1.313
  114   1HG2  THR  15          3HG2      THR  15  10.165  -4.857   1.165
  115   2HG2  THR  15          1HG2      THR  15  10.960  -3.508   2.015
  116   3HG2  THR  15          2HG2      THR  15   9.201  -3.633   2.004
  117    H    GLU  16           HN       GLU  16   7.532  -1.825   0.607
  118    HA   GLU  16           HA       GLU  16   6.127  -3.927   1.935
  119   1HB   GLU  16          2HB       GLU  16   6.680  -1.570   2.863
  120   2HB   GLU  16          3HB       GLU  16   5.301  -0.984   1.946
  121   1HG   GLU  16          2HG       GLU  16   3.780  -2.283   3.214
  122   2HG   GLU  16          3HG       GLU  16   5.024  -3.414   3.755
  123    H    LYS  17           HN       LYS  17   5.408  -1.933  -0.772
  124    HA   LYS  17           HA       LYS  17   2.811  -1.520  -1.023
  125   1HB   LYS  17          2HB       LYS  17   3.243  -1.475  -3.467
  126   2HB   LYS  17          3HB       LYS  17   4.534  -0.719  -2.565
  127   1HG   LYS  17          2HG       LYS  17   6.099  -2.302  -3.099
  128   2HG   LYS  17          3HG       LYS  17   4.960  -3.622  -3.112
  129   1HD   LYS  17          2HD       LYS  17   3.993  -2.746  -5.258
  130   2HD   LYS  17          3HD       LYS  17   5.331  -1.571  -5.316
  131   1HE   LYS  17          2HE       LYS  17   6.970  -3.396  -5.338
  132   2HE   LYS  17          3HE       LYS  17   5.700  -4.590  -5.022
  133   1HZ   LYS  17          2HZ       LYS  17   4.727  -3.982  -7.182
  134   2HZ   LYS  17          3HZ       LYS  17   6.012  -3.012  -7.496
  135   3HZ   LYS  17          1HZ       LYS  17   6.197  -4.645  -7.316
  136    H    VAL  18           HN       VAL  18   2.024  -3.683   0.148
  137    HA   VAL  18           HA       VAL  18   2.070  -6.084  -0.989
  138    HB   VAL  18           HB       VAL  18   0.555  -6.862   0.514
  139   1HG1  VAL  18          2HG1      VAL  18   2.179  -5.614   1.857
  140   2HG1  VAL  18          3HG1      VAL  18   1.137  -4.168   1.806
  141   3HG1  VAL  18          1HG1      VAL  18   0.615  -5.643   2.633
  142   1HG2  VAL  18          3HG2      VAL  18  -1.050  -4.372   0.432
  143   2HG2  VAL  18          1HG2      VAL  18  -1.514  -5.963  -0.220
  144   3HG2  VAL  18          2HG2      VAL  18  -1.329  -5.766   1.507
  145    H    ASN  19           HN       ASN  19   1.587  -6.802  -3.007
  146    HA   ASN  19           HA       ASN  19  -0.277  -5.073  -4.561
  147   1HB   ASN  19          2HB       ASN  19   0.821  -6.605  -6.524
  148   2HB   ASN  19          3HB       ASN  19   1.400  -5.065  -5.982
  149   1HD2  ASN  19          2HD2      ASN  19   4.365  -6.349  -4.365
  150   2HD2  ASN  19          1HD2      ASN  19   3.100  -5.166  -4.073
  151    H    CYS  20           HN       CYS  20  -1.917  -6.159  -3.188
  152    HA   CYS  20           HA       CYS  20  -2.207  -9.073  -3.748
  153   1HB   CYS  20          2HB       CYS  20  -1.617  -8.130  -1.419
  154   2HB   CYS  20          3HB       CYS  20  -3.311  -7.623  -1.343
  155    HG   CYS  20           HG       CYS  20  -4.267 -10.008  -1.925
  156    H    LEU  21           HN       LEU  21  -3.445  -6.853  -5.289
  157    HA   LEU  21           HA       LEU  21  -5.880  -8.236  -5.766
  158   1HB   LEU  21          2HB       LEU  21  -6.435  -6.494  -3.960
  159   2HB   LEU  21          3HB       LEU  21  -6.173  -5.227  -5.143
  160    HG   LEU  21           HG       LEU  21  -7.956  -7.614  -5.637
  161   1HD1  LEU  21          2HD1      LEU  21  -8.707  -6.515  -3.542
  162   2HD1  LEU  21          3HD1      LEU  21  -8.840  -4.967  -4.403
  163   3HD1  LEU  21          1HD1      LEU  21  -9.903  -6.326  -4.833
  164   1HD2  LEU  21          3HD2      LEU  21  -7.994  -4.801  -6.819
  165   2HD2  LEU  21          1HD2      LEU  21  -7.531  -6.299  -7.659
  166   3HD2  LEU  21          2HD2      LEU  21  -9.197  -6.060  -7.141
  167    H    ASP  22           HN       ASP  22  -5.435  -4.907  -6.791
  168    HA   ASP  22           HA       ASP  22  -3.499  -5.593  -8.913
  169   1HB   ASP  22          2HB       ASP  22  -4.700  -4.305 -10.473
  170   2HB   ASP  22          3HB       ASP  22  -5.931  -5.317  -9.716
  171    H    LYS  23           HN       LYS  23  -3.795  -4.089  -6.016
  172    HA   LYS  23           HA       LYS  23  -2.259  -1.687  -6.711
  173   1HB   LYS  23          2HB       LYS  23  -3.702  -0.299  -5.201
  174   2HB   LYS  23          3HB       LYS  23  -4.391  -0.749  -6.709
  175   1HG   LYS  23          2HG       LYS  23  -5.749  -2.543  -5.540
  176   2HG   LYS  23          3HG       LYS  23  -4.952  -2.125  -4.029
  177   1HD   LYS  23          2HD       LYS  23  -7.224  -1.147  -4.205
  178   2HD   LYS  23          3HD       LYS  23  -5.964   0.072  -4.003
  179   1HE   LYS  23          2HE       LYS  23  -7.586   0.830  -5.647
  180   2HE   LYS  23          3HE       LYS  23  -6.026   0.568  -6.424
  181   1HZ   LYS  23          1HZ       LYS  23  -6.910  -1.605  -7.213
  182   2HZ   LYS  23          2HZ       LYS  23  -8.385  -1.232  -6.580
  183   3HZ   LYS  23          3HZ       LYS  23  -7.749  -0.324  -7.767
  184    H    PHE  24           HN       PHE  24  -1.997  -0.598  -4.604
  185    HA   PHE  24           HA       PHE  24  -0.238  -2.447  -3.055
  186   1HB   PHE  24          2HB       PHE  24   1.109  -0.146  -2.991
  187   2HB   PHE  24          3HB       PHE  24   1.170  -1.226  -4.374
  188    HD1  PHE  24          2HD       PHE  24  -0.789   1.800  -3.162
  189    HD2  PHE  24          1HD       PHE  24   0.768  -0.410  -6.524
  190    HE1  PHE  24          2HE       PHE  24  -1.782   3.442  -4.720
  191    HE2  PHE  24          1HE       PHE  24  -0.165   1.287  -8.066
  192    HZ   PHE  24           HZ       PHE  24  -1.479   3.191  -7.168
  193    H    TRP  25           HN       TRP  25  -0.027  -2.193  -0.816
  194    HA   TRP  25           HA       TRP  25  -1.382   0.082   0.496
  195   1HB   TRP  25          2HB       TRP  25  -1.644  -2.752   1.549
  196   2HB   TRP  25          3HB       TRP  25  -2.456  -1.322   2.084
  197    HD1  TRP  25           HD1      TRP  25  -2.615  -3.845  -0.841
  198    HE1  TRP  25           HE1      TRP  25  -4.945  -3.623  -1.950
  199    HE3  TRP  25           HE3      TRP  25  -4.293   0.247   1.646
  200    HZ2  TRP  25           HZ2      TRP  25  -7.106  -1.723  -1.960
  201    HZ3  TRP  25           HZ3      TRP  25  -6.480   1.314   1.009
  202    HH2  TRP  25           HH2      TRP  25  -7.847   0.368  -0.800
  203    H    HIS  26           HN       HIS  26  -0.710   0.070   2.888
  204    HA   HIS  26           HA       HIS  26   2.127  -0.754   3.251
  205   1HB   HIS  26          2HB       HIS  26   0.115   0.446   5.193
  206   2HB   HIS  26          3HB       HIS  26   1.749  -0.001   5.627
  207    HD2  HIS  26           HD2      HIS  26   3.729   1.218   3.818
  208    HE1  HIS  26           HE1      HIS  26   1.320   4.733   3.513
  209    HE2  HIS  26           HE2      HIS  26   3.605   3.825   3.082
  210    H    LYS  27           HN       LYS  27   2.652  -2.209   4.944
  211    HA   LYS  27           HA       LYS  27   1.269  -4.613   5.130
  212   1HB   LYS  27          2HB       LYS  27   3.701  -4.025   5.675
  213   2HB   LYS  27          3HB       LYS  27   3.136  -3.356   7.184
  214   1HG   LYS  27          2HG       LYS  27   3.993  -5.484   7.624
  215   2HG   LYS  27          3HG       LYS  27   2.238  -5.637   7.784
  216   1HD   LYS  27          2HD       LYS  27   2.121  -6.670   5.542
  217   2HD   LYS  27          3HD       LYS  27   3.847  -6.382   5.296
  218   1HE   LYS  27          2HE       LYS  27   2.623  -8.189   7.429
  219   2HE   LYS  27          3HE       LYS  27   3.324  -8.733   5.905
  220   1HZ   LYS  27          1HZ       LYS  27   5.457  -7.772   6.665
  221   2HZ   LYS  27          2HZ       LYS  27   4.781  -7.438   8.128
  222   3HZ   LYS  27          3HZ       LYS  27   4.894  -8.995   7.622
  223    H    ALA  28           HN       ALA  28   1.343  -1.873   7.463
  224    HA   ALA  28           HA       ALA  28  -0.643  -2.973   9.202
  225   1HB   ALA  28          3HB       ALA  28   0.413  -0.128   8.891
  226   2HB   ALA  28          1HB       ALA  28  -0.576  -0.703  10.249
  227   3HB   ALA  28          2HB       ALA  28   1.033  -1.372  10.000
  228    H    CYS  29           HN       CYS  29  -1.284  -1.758   6.110
  229    HA   CYS  29           HA       CYS  29  -3.930  -0.631   6.942
  230   1HB   CYS  29          2HB       CYS  29  -2.126   0.078   4.606
  231   2HB   CYS  29          3HB       CYS  29  -3.733   0.746   4.890
  232    H    PHE  30           HN       PHE  30  -2.409  -3.236   5.263
  233    HA   PHE  30           HA       PHE  30  -4.491  -3.580   3.287
  234   1HB   PHE  30          2HB       PHE  30  -2.207  -4.548   3.098
  235   2HB   PHE  30          3HB       PHE  30  -2.556  -5.628   4.444
  236    HD1  PHE  30          1HD       PHE  30  -4.394  -4.558   1.305
  237    HD2  PHE  30          2HD       PHE  30  -2.979  -7.861   3.706
  238    HE1  PHE  30          1HE       PHE  30  -5.387  -6.138  -0.297
  239    HE2  PHE  30          2HE       PHE  30  -3.966  -9.441   2.062
  240    HZ   PHE  30           HZ       PHE  30  -5.219  -8.571   0.074
   
  No H/Q in entry =         240
  Start of MODEL   12
    1   1H    ACE   0          1HC       ACE   0   9.357  10.901  -9.909
    2   2H    ACE   0          2HC       ACE   0   9.447  12.097  -8.606
    3   3H    ACE   0          3HC       ACE   0   9.390  10.366  -8.220
    4    H    MET   1           HN       MET   1   7.350   9.269  -9.466
    5    HA   MET   1           HA       MET   1   5.176  10.492  -7.959
    6   1HB   MET   1          2HB       MET   1   3.487   9.854  -9.681
    7   2HB   MET   1          3HB       MET   1   4.494  11.230 -10.088
    8   1HG   MET   1          2HG       MET   1   4.149   9.958 -12.029
    9   2HG   MET   1          3HG       MET   1   5.841   9.828 -11.599
   10   1HE   MET   1          2HE       MET   1   4.143   8.304 -13.781
   11   2HE   MET   1          3HE       MET   1   5.867   7.910 -13.597
   12   3HE   MET   1          1HE       MET   1   4.656   6.614 -13.642
   13    H    ASN   2           HN       ASN   2   3.626   8.856  -7.256
   14    HA   ASN   2           HA       ASN   2   4.560   6.061  -7.345
   15   1HB   ASN   2          2HB       ASN   2   4.510   7.881  -4.892
   16   2HB   ASN   2          3HB       ASN   2   4.541   6.135  -4.773
   17   1HD2  ASN   2          2HD2      ASN   2   8.068   7.867  -5.053
   18   2HD2  ASN   2          1HD2      ASN   2   6.630   8.795  -4.683
   19    HA   PRO   3           HA       PRO   3   0.126   5.561  -6.344
   20   1HB   PRO   3          2HB       PRO   3   0.065   3.113  -5.185
   21   2HB   PRO   3          3HB       PRO   3   0.434   3.301  -6.924
   22   1HG   PRO   3          2HG       PRO   3   2.392   2.963  -4.629
   23   2HG   PRO   3          3HG       PRO   3   2.361   2.082  -6.190
   24   1HD   PRO   3          2HD       PRO   3   3.945   4.262  -5.728
   25   2HD   PRO   3          3HD       PRO   3   3.271   3.903  -7.346
   26    H    ASN   4           HN       ASN   4  -1.175   4.991  -4.235
   27    HA   ASN   4           HA       ASN   4   0.341   5.737  -1.770
   28   1HB   ASN   4          2HB       ASN   4  -2.341   6.889  -2.659
   29   2HB   ASN   4          3HB       ASN   4  -1.753   6.940  -1.007
   30   1HD2  ASN   4          2HD2      ASN   4   0.873   9.066  -3.241
   31   2HD2  ASN   4          1HD2      ASN   4   1.002   7.347  -2.997
   32    H    CYS   5           HN       CYS   5  -0.632   4.989   0.101
   33    HA   CYS   5           HA       CYS   5  -1.645   2.347   0.105
   34   1HB   CYS   5          2HB       CYS   5  -0.176   3.492   1.839
   35   2HB   CYS   5          3HB       CYS   5  -1.581   4.478   2.242
   36    H    ALA   6           HN       ALA   6  -3.599   1.912  -0.458
   37    HA   ALA   6           HA       ALA   6  -5.796   3.681  -0.755
   38   1HB   ALA   6          3HB       ALA   6  -5.447   0.671  -0.735
   39   2HB   ALA   6          1HB       ALA   6  -6.997   1.429  -1.093
   40   3HB   ALA   6          2HB       ALA   6  -5.593   1.753  -2.125
   41    H    ARG   7           HN       ARG   7  -4.597   2.993   2.214
   42    HA   ARG   7           HA       ARG   7  -7.296   3.162   3.471
   43   1HB   ARG   7          2HB       ARG   7  -5.731   0.921   3.675
   44   2HB   ARG   7          3HB       ARG   7  -5.212   1.786   5.101
   45   1HG   ARG   7          2HG       ARG   7  -8.158   1.334   4.460
   46   2HG   ARG   7          3HG       ARG   7  -7.186   0.087   5.214
   47   1HD   ARG   7          2HD       ARG   7  -6.629   1.574   7.089
   48   2HD   ARG   7          3HD       ARG   7  -7.628   2.849   6.379
   49    HE   ARG   7           HE       ARG   7  -9.564   1.526   6.607
   50   1HH1  ARG   7          2HH2      ARG   7  -6.769   0.218   8.492
   51   2HH1  ARG   7          1HH2      ARG   7  -7.757  -0.706   9.522
   52   1HH2  ARG   7          2HH1      ARG   7 -10.822   0.141   7.968
   53   2HH2  ARG   7          1HH1      ARG   7 -10.048  -0.798   9.222
   54    H    CYS   8           HN       CYS   8  -3.830   4.170   3.739
   55    HA   CYS   8           HA       CYS   8  -4.707   5.948   5.966
   56   1HB   CYS   8          2HB       CYS   8  -2.425   6.003   6.630
   57   2HB   CYS   8          3HB       CYS   8  -2.903   4.302   6.412
   58    H    GLY   9           HN       GLY   9  -3.678   5.971   2.631
   59   1HA   GLY   9          1HA       GLY   9  -3.730   7.690   1.178
   60   2HA   GLY   9          2HA       GLY   9  -3.917   8.878   2.474
   61    H    LYS  10           HN       LYS  10  -1.226   6.807   3.135
   62    HA   LYS  10           HA       LYS  10   0.625   8.937   2.267
   63   1HB   LYS  10          2HB       LYS  10   1.232   6.417   3.837
   64   2HB   LYS  10          3HB       LYS  10   2.228   7.877   3.682
   65   1HG   LYS  10          2HG       LYS  10   0.359   9.162   4.770
   66   2HG   LYS  10          3HG       LYS  10  -0.469   7.640   5.080
   67   1HD   LYS  10          2HD       LYS  10   1.678   6.862   6.267
   68   2HD   LYS  10          3HD       LYS  10   2.167   8.566   6.255
   69   1HE   LYS  10          2HE       LYS  10  -0.412   7.420   7.427
   70   2HE   LYS  10          3HE       LYS  10   1.004   7.940   8.358
   71   1HZ   LYS  10          3HZ       LYS  10  -0.642   9.696   6.639
   72   2HZ   LYS  10          1HZ       LYS  10  -0.765   9.605   8.261
   73   3HZ   LYS  10          2HZ       LYS  10   0.640  10.176   7.583
   74    H    ILE  11           HN       ILE  11   2.706   8.288   1.243
   75    HA   ILE  11           HA       ILE  11   2.425   6.647  -1.091
   76    HB   ILE  11           HB       ILE  11   4.254   8.523   0.016
   77   1HG1  ILE  11          2HG1      ILE  11   4.540   7.037  -2.600
   78   2HG1  ILE  11          3HG1      ILE  11   3.370   8.334  -2.303
   79   1HG2  ILE  11          2HG2      ILE  11   5.588   6.699   0.993
   80   2HG2  ILE  11          3HG2      ILE  11   5.823   6.008  -0.629
   81   3HG2  ILE  11          1HG2      ILE  11   6.478   7.594  -0.249
   82   1HD1  ILE  11          3HD1      ILE  11   5.281   9.847  -1.659
   83   2HD1  ILE  11          1HD1      ILE  11   6.397   8.597  -2.257
   84   3HD1  ILE  11          2HD1      ILE  11   5.249   9.372  -3.355
   85    H    VAL  12           HN       VAL  12   3.669   4.696  -1.599
   86    HA   VAL  12           HA       VAL  12   4.148   2.915   0.737
   87    HB   VAL  12           HB       VAL  12   2.853   2.072  -1.872
   88   1HG1  VAL  12          2HG1      VAL  12   4.176   0.330  -0.595
   89   2HG1  VAL  12          3HG1      VAL  12   3.115   0.600   0.795
   90   3HG1  VAL  12          1HG1      VAL  12   2.441  -0.030  -0.719
   91   1HG2  VAL  12          3HG2      VAL  12   1.573   2.516   0.856
   92   2HG2  VAL  12          1HG2      VAL  12   1.254   3.442  -0.626
   93   3HG2  VAL  12          2HG2      VAL  12   0.779   1.745  -0.536
   94    H    TYR  13           HN       TYR  13   6.363   2.689   0.759
   95    HA   TYR  13           HA       TYR  13   8.034   3.104  -1.600
   96   1HB   TYR  13          2HB       TYR  13   8.521   2.244   1.283
   97   2HB   TYR  13          3HB       TYR  13   9.806   2.316   0.094
   98    HD1  TYR  13           HD1      TYR  13   7.314   4.445   1.924
   99    HD2  TYR  13           HD2      TYR  13  10.890   4.353  -0.484
  100    HE1  TYR  13           HE1      TYR  13   7.611   6.845   2.310
  101    HE2  TYR  13           HE2      TYR  13  11.208   6.765  -0.085
  102    HH   TYR  13           HH       TYR  13   8.653   8.762   1.408
  103    HA   PRO  14           HA       PRO  14   7.845  -0.979  -3.122
  104   1HB   PRO  14          2HB       PRO  14  10.336  -1.606  -4.098
  105   2HB   PRO  14          3HB       PRO  14   9.255  -0.386  -4.843
  106   1HG   PRO  14          2HG       PRO  14  11.510   0.076  -2.873
  107   2HG   PRO  14          3HG       PRO  14  11.211   0.942  -4.410
  108   1HD   PRO  14          2HD       PRO  14  10.408   2.003  -2.066
  109   2HD   PRO  14          3HD       PRO  14   9.354   2.099  -3.509
  110    H    THR  15           HN       THR  15  10.386  -0.515  -0.747
  111    HA   THR  15           HA       THR  15  10.796  -3.183   0.092
  112    HB   THR  15           HB       THR  15  12.088  -1.029   0.465
  113    HG1  THR  15          1HG       THR  15  12.354  -3.048   1.726
  114   1HG2  THR  15          3HG2      THR  15  10.125   0.325   1.302
  115   2HG2  THR  15          1HG2      THR  15  10.248  -0.565   2.829
  116   3HG2  THR  15          2HG2      THR  15  11.594   0.442   2.264
  117    H    GLU  16           HN       GLU  16   8.022  -1.221   0.347
  118    HA   GLU  16           HA       GLU  16   6.891  -2.776   2.602
  119   1HB   GLU  16          2HB       GLU  16   6.612  -0.930   3.763
  120   2HB   GLU  16          3HB       GLU  16   7.738  -0.163   2.641
  121   1HG   GLU  16          2HG       GLU  16   5.787   0.553   1.251
  122   2HG   GLU  16          3HG       GLU  16   4.752   0.038   2.574
  123    H    LYS  17           HN       LYS  17   6.481  -1.931  -0.655
  124    HA   LYS  17           HA       LYS  17   3.653  -1.872  -0.954
  125   1HB   LYS  17          2HB       LYS  17   5.931  -2.683  -2.797
  126   2HB   LYS  17          3HB       LYS  17   4.252  -2.870  -3.291
  127   1HG   LYS  17          2HG       LYS  17   3.824  -0.482  -3.064
  128   2HG   LYS  17          3HG       LYS  17   5.473  -0.213  -2.479
  129   1HD   LYS  17          2HD       LYS  17   6.381  -1.051  -4.634
  130   2HD   LYS  17          3HD       LYS  17   4.742  -1.301  -5.232
  131   1HE   LYS  17          2HE       LYS  17   4.249   1.028  -5.216
  132   2HE   LYS  17          3HE       LYS  17   5.660   1.417  -4.221
  133   1HZ   LYS  17          2HZ       LYS  17   5.983   0.287  -6.936
  134   2HZ   LYS  17          3HZ       LYS  17   5.871   1.912  -6.659
  135   3HZ   LYS  17          1HZ       LYS  17   7.089   1.081  -6.041
  136    H    VAL  18           HN       VAL  18   2.404  -3.418   0.116
  137    HA   VAL  18           HA       VAL  18   2.762  -6.166  -0.264
  138    HB   VAL  18           HB       VAL  18   0.519  -6.401   0.474
  139   1HG1  VAL  18          2HG1      VAL  18   2.031  -5.650   2.251
  140   2HG1  VAL  18          3HG1      VAL  18   1.659  -3.948   1.894
  141   3HG1  VAL  18          1HG1      VAL  18   0.393  -5.013   2.501
  142   1HG2  VAL  18          2HG2      VAL  18   0.041  -3.475  -0.115
  143   2HG2  VAL  18          3HG2      VAL  18  -0.646  -4.845  -1.000
  144   3HG2  VAL  18          1HG2      VAL  18  -1.092  -4.603   0.677
  145    H    ASN  19           HN       ASN  19   1.010  -7.379  -1.714
  146    HA   ASN  19           HA       ASN  19   0.120  -5.676  -3.976
  147   1HB   ASN  19          2HB       ASN  19  -0.146  -8.238  -4.953
  148   2HB   ASN  19          3HB       ASN  19   1.217  -7.189  -5.332
  149   1HD2  ASN  19          2HD2      ASN  19   3.636  -9.123  -3.589
  150   2HD2  ASN  19          1HD2      ASN  19   3.241  -7.517  -4.203
  151    H    CYS  20           HN       CYS  20  -1.972  -5.842  -4.390
  152    HA   CYS  20           HA       CYS  20  -3.581  -7.944  -3.198
  153   1HB   CYS  20          2HB       CYS  20  -4.197  -4.995  -2.756
  154   2HB   CYS  20          3HB       CYS  20  -5.280  -6.339  -2.321
  155    HG   CYS  20           HG       CYS  20  -4.248  -5.458  -0.138
  156    H    LEU  21           HN       LEU  21  -6.045  -6.906  -4.087
  157    HA   LEU  21           HA       LEU  21  -6.372  -7.917  -6.492
  158   1HB   LEU  21          2HB       LEU  21  -7.787  -5.500  -5.319
  159   2HB   LEU  21          3HB       LEU  21  -8.225  -6.158  -6.889
  160    HG   LEU  21           HG       LEU  21  -8.719  -8.352  -5.909
  161   1HD1  LEU  21          3HD1      LEU  21  -8.147  -7.011  -3.220
  162   2HD1  LEU  21          1HD1      LEU  21  -8.987  -8.558  -3.432
  163   3HD1  LEU  21          2HD1      LEU  21  -7.313  -8.435  -3.916
  164   1HD2  LEU  21          3HD2      LEU  21 -10.481  -6.646  -6.178
  165   2HD2  LEU  21          1HD2      LEU  21 -10.798  -7.659  -4.773
  166   3HD2  LEU  21          2HD2      LEU  21 -10.151  -6.016  -4.551
  167    H    ASP  22           HN       ASP  22  -6.135  -4.345  -6.402
  168    HA   ASP  22           HA       ASP  22  -4.174  -4.378  -8.617
  169   1HB   ASP  22          2HB       ASP  22  -6.896  -3.011  -8.760
  170   2HB   ASP  22          3HB       ASP  22  -5.561  -2.652  -9.848
  171    H    LYS  23           HN       LYS  23  -4.479  -3.513  -5.604
  172    HA   LYS  23           HA       LYS  23  -3.803  -0.640  -5.881
  173   1HB   LYS  23          2HB       LYS  23  -5.161  -0.655  -3.490
  174   2HB   LYS  23          3HB       LYS  23  -5.720   0.042  -4.970
  175   1HG   LYS  23          2HG       LYS  23  -6.358  -2.815  -4.133
  176   2HG   LYS  23          3HG       LYS  23  -7.325  -1.443  -3.628
  177   1HD   LYS  23          2HD       LYS  23  -6.919  -1.914  -6.593
  178   2HD   LYS  23          3HD       LYS  23  -8.051  -2.891  -5.675
  179   1HE   LYS  23          2HE       LYS  23  -9.230  -1.111  -6.738
  180   2HE   LYS  23          3HE       LYS  23  -9.293  -0.869  -4.991
  181   1HZ   LYS  23          3HZ       LYS  23  -7.313   0.518  -6.700
  182   2HZ   LYS  23          1HZ       LYS  23  -8.819   1.118  -6.399
  183   3HZ   LYS  23          2HZ       LYS  23  -7.816   0.894  -5.152
  184    H    PHE  24           HN       PHE  24  -2.736   0.211  -3.958
  185    HA   PHE  24           HA       PHE  24  -0.844  -1.848  -2.934
  186   1HB   PHE  24          2HB       PHE  24  -0.478   1.108  -3.619
  187   2HB   PHE  24          3HB       PHE  24   0.730   0.110  -2.835
  188    HD1  PHE  24          2HD       PHE  24   1.776  -1.847  -4.068
  189    HD2  PHE  24          1HD       PHE  24  -0.735   1.068  -6.039
  190    HE1  PHE  24          2HE       PHE  24   2.825  -2.393  -6.245
  191    HE2  PHE  24          1HE       PHE  24   0.372   0.541  -8.200
  192    HZ   PHE  24           HZ       PHE  24   2.148  -1.181  -8.302
  193    H    TRP  25           HN       TRP  25  -0.344  -1.719  -0.763
  194    HA   TRP  25           HA       TRP  25  -1.699   0.252   0.945
  195   1HB   TRP  25          2HB       TRP  25  -1.752  -2.724   1.543
  196   2HB   TRP  25          3HB       TRP  25  -2.658  -1.444   2.294
  197    HD1  TRP  25           HD1      TRP  25  -2.567  -3.401  -1.036
  198    HE1  TRP  25           HE1      TRP  25  -4.849  -3.298  -2.144
  199    HE3  TRP  25           HE3      TRP  25  -4.950  -0.505   2.382
  200    HZ2  TRP  25           HZ2      TRP  25  -7.534  -2.285  -1.475
  201    HZ3  TRP  25           HZ3      TRP  25  -7.402  -0.022   2.174
  202    HH2  TRP  25           HH2      TRP  25  -8.673  -0.895   0.246
  203    H    HIS  26           HN       HIS  26  -0.693   0.124   3.125
  204    HA   HIS  26           HA       HIS  26   2.098  -0.914   3.184
  205   1HB   HIS  26          2HB       HIS  26   0.304   0.132   5.435
  206   2HB   HIS  26          3HB       HIS  26   1.932  -0.479   5.676
  207    HD2  HIS  26           HD2      HIS  26   3.966   0.809   4.375
  208    HE1  HIS  26           HE1      HIS  26   1.793   4.396   3.643
  209    HE2  HIS  26           HE2      HIS  26   4.100   3.256   3.439
  210    H    LYS  27           HN       LYS  27   2.651  -2.591   4.738
  211    HA   LYS  27           HA       LYS  27   1.538  -5.039   4.667
  212   1HB   LYS  27          2HB       LYS  27   3.671  -4.481   5.698
  213   2HB   LYS  27          3HB       LYS  27   2.862  -3.642   7.021
  214   1HG   LYS  27          2HG       LYS  27   1.796  -5.787   7.713
  215   2HG   LYS  27          3HG       LYS  27   2.672  -6.630   6.421
  216   1HD   LYS  27          2HD       LYS  27   4.800  -6.157   7.453
  217   2HD   LYS  27          3HD       LYS  27   4.069  -4.959   8.530
  218   1HE   LYS  27          2HE       LYS  27   2.568  -6.994   9.311
  219   2HE   LYS  27          3HE       LYS  27   3.878  -7.979   8.647
  220   1HZ   LYS  27          1HZ       LYS  27   5.381  -6.749  10.138
  221   2HZ   LYS  27          2HZ       LYS  27   4.102  -5.895  10.736
  222   3HZ   LYS  27          3HZ       LYS  27   4.187  -7.515  10.983
  223    H    ALA  28           HN       ALA  28   0.867  -2.754   7.309
  224    HA   ALA  28           HA       ALA  28  -1.437  -4.310   8.214
  225   1HB   ALA  28          1HB       ALA  28   0.033  -1.918   9.389
  226   2HB   ALA  28          2HB       ALA  28  -1.307  -2.767  10.183
  227   3HB   ALA  28          3HB       ALA  28   0.209  -3.620   9.857
  228    H    CYS  29           HN       CYS  29  -1.331  -2.081   5.799
  229    HA   CYS  29           HA       CYS  29  -3.791  -0.645   6.643
  230   1HB   CYS  29          2HB       CYS  29  -1.815  -0.177   4.426
  231   2HB   CYS  29          3HB       CYS  29  -3.394   0.598   4.472
  232    H    PHE  30           HN       PHE  30  -2.716  -3.271   4.477
  233    HA   PHE  30           HA       PHE  30  -5.033  -3.190   2.811
  234   1HB   PHE  30          2HB       PHE  30  -3.133  -4.603   2.211
  235   2HB   PHE  30          3HB       PHE  30  -3.407  -5.613   3.633
  236    HD1  PHE  30          1HD       PHE  30  -5.855  -4.182   1.097
  237    HD2  PHE  30          2HD       PHE  30  -4.194  -7.742   2.892
  238    HE1  PHE  30          1HE       PHE  30  -7.358  -5.567  -0.264
  239    HE2  PHE  30          2HE       PHE  30  -5.676  -9.121   1.483
  240    HZ   PHE  30           HZ       PHE  30  -7.241  -8.042  -0.120
   
  No H/Q in entry =         240
  Start of MODEL   13
    1   1H    ACE   0          1HC       ACE   0   8.772   9.725  -9.243
    2   2H    ACE   0          2HC       ACE   0   8.941   8.761 -10.727
    3   3H    ACE   0          3HC       ACE   0   7.880  10.180 -10.712
    4    H    MET   1           HN       MET   1   6.105  10.115  -9.074
    5    HA   MET   1           HA       MET   1   4.099   9.238  -8.422
    6   1HB   MET   1          2HB       MET   1   4.507   7.964 -11.149
    7   2HB   MET   1          3HB       MET   1   2.956   8.040 -10.313
    8   1HG   MET   1          2HG       MET   1   4.614  10.472 -11.058
    9   2HG   MET   1          3HG       MET   1   3.304   9.820 -12.021
   10   1HE   MET   1          3HE       MET   1   0.863   9.180 -10.360
   11   2HE   MET   1          1HE       MET   1   0.082  10.755 -10.108
   12   3HE   MET   1          2HE       MET   1   0.784  10.365 -11.687
   13    H    ASN   2           HN       ASN   2   5.120   8.023  -6.603
   14    HA   ASN   2           HA       ASN   2   5.272   5.084  -7.031
   15   1HB   ASN   2          2HB       ASN   2   6.073   6.952  -4.834
   16   2HB   ASN   2          3HB       ASN   2   5.360   5.450  -4.284
   17   1HD2  ASN   2          2HD2      ASN   2   8.927   5.268  -6.389
   18   2HD2  ASN   2          1HD2      ASN   2   7.989   6.720  -6.464
   19    HA   PRO   3           HA       PRO   3   1.046   4.306  -5.901
   20   1HB   PRO   3          2HB       PRO   3   1.247   2.147  -4.136
   21   2HB   PRO   3          3HB       PRO   3   1.285   2.057  -5.924
   22   1HG   PRO   3          2HG       PRO   3   3.606   2.022  -4.002
   23   2HG   PRO   3          3HG       PRO   3   3.365   1.062  -5.487
   24   1HD   PRO   3          2HD       PRO   3   4.941   3.280  -5.395
   25   2HD   PRO   3          3HD       PRO   3   3.999   2.860  -6.857
   26    H    ASN   4           HN       ASN   4  -0.487   4.381  -3.948
   27    HA   ASN   4           HA       ASN   4   0.663   5.721  -1.565
   28   1HB   ASN   4          2HB       ASN   4  -1.305   6.960  -3.512
   29   2HB   ASN   4          3HB       ASN   4  -1.349   7.304  -1.788
   30   1HD2  ASN   4          2HD2      ASN   4   1.795   8.854  -3.896
   31   2HD2  ASN   4          1HD2      ASN   4   0.978   7.499  -4.613
   32    H    CYS   5           HN       CYS   5  -0.388   5.118   0.245
   33    HA   CYS   5           HA       CYS   5  -1.733   2.695   0.259
   34   1HB   CYS   5          2HB       CYS   5  -0.396   3.780   2.050
   35   2HB   CYS   5          3HB       CYS   5  -1.722   4.892   2.372
   36    H    ALA   6           HN       ALA   6  -3.674   2.303  -0.578
   37    HA   ALA   6           HA       ALA   6  -5.764   4.220  -0.880
   38   1HB   ALA   6          2HB       ALA   6  -5.791   1.173  -0.938
   39   2HB   ALA   6          3HB       ALA   6  -7.126   2.214  -1.482
   40   3HB   ALA   6          1HB       ALA   6  -5.561   2.263  -2.317
   41    H    ARG   7           HN       ARG   7  -4.657   3.075   2.058
   42    HA   ARG   7           HA       ARG   7  -7.384   3.167   3.274
   43   1HB   ARG   7          2HB       ARG   7  -6.655   0.925   3.327
   44   2HB   ARG   7          3HB       ARG   7  -5.045   1.339   3.871
   45   1HG   ARG   7          2HG       ARG   7  -7.492   1.894   5.584
   46   2HG   ARG   7          3HG       ARG   7  -6.793   0.284   5.493
   47   1HD   ARG   7          2HD       ARG   7  -4.629   1.120   6.217
   48   2HD   ARG   7          3HD       ARG   7  -5.242   2.760   6.382
   49    HE   ARG   7           HE       ARG   7  -6.968   1.568   7.948
   50   1HH1  ARG   7          2HH2      ARG   7  -3.422   1.058   7.757
   51   2HH1  ARG   7          1HH2      ARG   7  -3.302   0.566   9.418
   52   1HH2  ARG   7          2HH1      ARG   7  -6.776   0.891  10.068
   53   2HH2  ARG   7          1HH1      ARG   7  -5.256   0.486  10.800
   54    H    CYS   8           HN       CYS   8  -3.928   4.255   3.696
   55    HA   CYS   8           HA       CYS   8  -4.952   5.697   6.118
   56   1HB   CYS   8          2HB       CYS   8  -2.776   5.788   6.960
   57   2HB   CYS   8          3HB       CYS   8  -3.029   4.149   6.401
   58    H    GLY   9           HN       GLY   9  -2.804   6.208   3.372
   59   1HA   GLY   9          1HA       GLY   9  -3.482   8.216   1.918
   60   2HA   GLY   9          2HA       GLY   9  -3.325   9.120   3.424
   61    H    LYS  10           HN       LYS  10  -0.837   6.882   3.729
   62    HA   LYS  10           HA       LYS  10   1.062   8.907   2.712
   63   1HB   LYS  10          2HB       LYS  10   1.540   6.407   4.396
   64   2HB   LYS  10          3HB       LYS  10   2.773   7.560   3.894
   65   1HG   LYS  10          2HG       LYS  10   0.999   9.276   4.999
   66   2HG   LYS  10          3HG       LYS  10   0.567   7.820   5.888
   67   1HD   LYS  10          2HD       LYS  10   3.397   8.926   5.759
   68   2HD   LYS  10          3HD       LYS  10   2.238   9.292   7.021
   69   1HE   LYS  10          2HE       LYS  10   3.018   7.547   8.143
   70   2HE   LYS  10          3HE       LYS  10   2.072   6.553   7.034
   71   1HZ   LYS  10          1HZ       LYS  10   4.146   6.390   5.661
   72   2HZ   LYS  10          2HZ       LYS  10   4.932   7.265   6.812
   73   3HZ   LYS  10          3HZ       LYS  10   4.342   5.794   7.175
   74    H    ILE  11           HN       ILE  11   2.826   8.463   1.375
   75    HA   ILE  11           HA       ILE  11   2.304   6.882  -0.882
   76    HB   ILE  11           HB       ILE  11   3.706   8.968  -0.602
   77   1HG1  ILE  11          2HG1      ILE  11   5.028   6.826  -2.295
   78   2HG1  ILE  11          3HG1      ILE  11   3.456   7.536  -2.676
   79   1HG2  ILE  11          1HG2      ILE  11   5.232   8.074   1.190
   80   2HG2  ILE  11          2HG2      ILE  11   5.979   7.037  -0.044
   81   3HG2  ILE  11          3HG2      ILE  11   6.072   8.801  -0.185
   82   1HD1  ILE  11          1HD1      ILE  11   4.475   9.819  -2.651
   83   2HD1  ILE  11          2HD1      ILE  11   6.074   9.055  -2.479
   84   3HD1  ILE  11          3HD1      ILE  11   5.081   8.752  -3.920
   85    H    VAL  12           HN       VAL  12   3.183   4.877  -1.623
   86    HA   VAL  12           HA       VAL  12   4.068   3.003   0.514
   87    HB   VAL  12           HB       VAL  12   2.587   2.597  -2.107
   88   1HG1  VAL  12          3HG1      VAL  12   3.481   0.492  -0.082
   89   2HG1  VAL  12          1HG1      VAL  12   2.432   0.210  -1.484
   90   3HG1  VAL  12          2HG1      VAL  12   4.116   0.687  -1.733
   91   1HG2  VAL  12          3HG2      VAL  12   1.225   3.445  -0.159
   92   2HG2  VAL  12          1HG2      VAL  12   0.709   1.880  -0.805
   93   3HG2  VAL  12          2HG2      VAL  12   1.632   1.955   0.703
   94    H    TYR  13           HN       TYR  13   6.147   2.382   0.376
   95    HA   TYR  13           HA       TYR  13   7.728   2.952  -2.087
   96   1HB   TYR  13          2HB       TYR  13   8.403   2.504   0.854
   97   2HB   TYR  13          3HB       TYR  13   9.607   2.323  -0.398
   98    HD1  TYR  13           HD2      TYR  13   7.399   5.041  -1.376
   99    HD2  TYR  13           HD1      TYR  13  10.749   3.980   1.162
  100    HE1  TYR  13           HE2      TYR  13   8.082   7.371  -1.309
  101    HE2  TYR  13           HE1      TYR  13  11.461   6.342   1.182
  102    HH   TYR  13           HH       TYR  13   9.885   8.806  -0.829
  103    HA   PRO  14           HA       PRO  14   7.853  -1.316  -3.056
  104   1HB   PRO  14          2HB       PRO  14  10.532  -1.902  -3.540
  105   2HB   PRO  14          3HB       PRO  14   9.409  -1.103  -4.679
  106   1HG   PRO  14          2HG       PRO  14  11.390   0.190  -2.793
  107   2HG   PRO  14          3HG       PRO  14  11.069   0.580  -4.512
  108   1HD   PRO  14          2HD       PRO  14  10.002   2.059  -2.529
  109   2HD   PRO  14          3HD       PRO  14   9.019   1.659  -3.965
  110    H    THR  15           HN       THR  15  10.005  -0.298  -0.412
  111    HA   THR  15           HA       THR  15  10.553  -2.740   0.809
  112    HB   THR  15           HB       THR  15  10.157  -0.818   2.832
  113    HG1  THR  15          1HG       THR  15  10.849   1.078   2.056
  114   1HG2  THR  15          3HG2      THR  15  12.641  -1.294   1.134
  115   2HG2  THR  15          1HG2      THR  15  12.598  -0.536   2.741
  116   3HG2  THR  15          2HG2      THR  15  12.146  -2.234   2.562
  117    H    GLU  16           HN       GLU  16   7.464  -1.019   0.629
  118    HA   GLU  16           HA       GLU  16   6.337  -2.893   2.652
  119   1HB   GLU  16          2HB       GLU  16   6.993  -0.692   3.586
  120   2HB   GLU  16          3HB       GLU  16   5.872   0.110   2.475
  121   1HG   GLU  16          2HG       GLU  16   3.979  -0.883   3.566
  122   2HG   GLU  16          3HG       GLU  16   4.963  -2.073   4.385
  123    H    LYS  17           HN       LYS  17   6.253  -2.336  -0.482
  124    HA   LYS  17           HA       LYS  17   3.593  -1.919  -1.314
  125   1HB   LYS  17          2HB       LYS  17   5.966  -3.458  -2.391
  126   2HB   LYS  17          3HB       LYS  17   4.391  -3.731  -3.114
  127   1HG   LYS  17          2HG       LYS  17   4.136  -1.344  -3.632
  128   2HG   LYS  17          3HG       LYS  17   5.687  -0.997  -2.875
  129   1HD   LYS  17          2HD       LYS  17   5.967  -1.085  -5.286
  130   2HD   LYS  17          3HD       LYS  17   6.820  -2.475  -4.580
  131   1HE   LYS  17          2HE       LYS  17   5.001  -3.985  -5.188
  132   2HE   LYS  17          3HE       LYS  17   3.991  -2.613  -5.660
  133   1HZ   LYS  17          2HZ       LYS  17   5.446  -2.134  -7.435
  134   2HZ   LYS  17          3HZ       LYS  17   6.411  -3.479  -7.128
  135   3HZ   LYS  17          1HZ       LYS  17   4.833  -3.623  -7.550
  136    H    VAL  18           HN       VAL  18   1.816  -2.916  -0.272
  137    HA   VAL  18           HA       VAL  18   1.738  -5.717  -0.466
  138    HB   VAL  18           HB       VAL  18   0.172  -3.826   1.285
  139   1HG1  VAL  18          3HG1      VAL  18  -0.354  -6.768   0.661
  140   2HG1  VAL  18          1HG1      VAL  18  -1.011  -5.966   2.077
  141   3HG1  VAL  18          2HG1      VAL  18  -1.490  -5.422   0.459
  142   1HG2  VAL  18          3HG2      VAL  18   1.899  -6.198   1.967
  143   2HG2  VAL  18          1HG2      VAL  18   2.252  -4.481   2.277
  144   3HG2  VAL  18          2HG2      VAL  18   0.888  -5.280   3.100
  145    H    ASN  19           HN       ASN  19   0.859  -6.188  -2.496
  146    HA   ASN  19           HA       ASN  19  -1.461  -4.697  -3.401
  147   1HB   ASN  19          2HB       ASN  19  -0.084  -5.064  -5.722
  148   2HB   ASN  19          3HB       ASN  19  -0.155  -3.554  -4.799
  149   1HD2  ASN  19          2HD2      ASN  19   3.229  -5.886  -4.304
  150   2HD2  ASN  19          1HD2      ASN  19   1.570  -6.508  -4.482
  151    H    CYS  20           HN       CYS  20  -2.931  -6.363  -3.503
  152    HA   CYS  20           HA       CYS  20  -1.904  -8.994  -4.419
  153   1HB   CYS  20          2HB       CYS  20  -3.971  -8.649  -2.204
  154   2HB   CYS  20          3HB       CYS  20  -3.164 -10.132  -2.698
  155    HG   CYS  20           HG       CYS  20  -2.257  -9.467  -0.357
  156    H    LEU  21           HN       LEU  21  -3.426  -6.727  -5.626
  157    HA   LEU  21           HA       LEU  21  -5.248  -8.074  -7.283
  158   1HB   LEU  21          2HB       LEU  21  -6.531  -7.637  -4.979
  159   2HB   LEU  21          3HB       LEU  21  -6.489  -5.955  -5.473
  160    HG   LEU  21           HG       LEU  21  -7.466  -7.009  -7.756
  161   1HD1  LEU  21          2HD1      LEU  21  -8.361  -9.014  -5.652
  162   2HD1  LEU  21          3HD1      LEU  21  -8.980  -8.888  -7.315
  163   3HD1  LEU  21          1HD1      LEU  21  -7.295  -9.348  -7.041
  164   1HD2  LEU  21          1HD2      LEU  21  -9.021  -6.496  -5.197
  165   2HD2  LEU  21          2HD2      LEU  21  -8.623  -5.322  -6.470
  166   3HD2  LEU  21          3HD2      LEU  21  -9.771  -6.626  -6.804
  167    H    ASP  22           HN       ASP  22  -6.573  -5.578  -7.942
  168    HA   ASP  22           HA       ASP  22  -4.448  -3.897  -9.091
  169   1HB   ASP  22          2HB       ASP  22  -6.541  -4.668 -10.278
  170   2HB   ASP  22          3HB       ASP  22  -7.486  -3.708  -9.142
  171    H    LYS  23           HN       LYS  23  -4.237  -3.855  -6.291
  172    HA   LYS  23           HA       LYS  23  -5.062  -1.135  -5.556
  173   1HB   LYS  23          2HB       LYS  23  -5.674  -3.593  -3.845
  174   2HB   LYS  23          3HB       LYS  23  -5.809  -1.914  -3.315
  175   1HG   LYS  23          2HG       LYS  23  -7.473  -3.165  -5.529
  176   2HG   LYS  23          3HG       LYS  23  -7.981  -3.008  -3.856
  177   1HD   LYS  23          2HD       LYS  23  -7.831  -0.555  -3.959
  178   2HD   LYS  23          3HD       LYS  23  -7.257  -0.625  -5.624
  179   1HE   LYS  23          2HE       LYS  23  -9.988  -1.509  -4.613
  180   2HE   LYS  23          3HE       LYS  23  -9.621  -0.078  -5.590
  181   1HZ   LYS  23          2HZ       LYS  23  -8.893  -1.566  -7.361
  182   2HZ   LYS  23          3HZ       LYS  23  -9.348  -2.886  -6.434
  183   3HZ   LYS  23          1HZ       LYS  23 -10.456  -1.830  -6.971
  184    H    PHE  24           HN       PHE  24  -3.615  -0.265  -4.013
  185    HA   PHE  24           HA       PHE  24  -1.401  -2.015  -3.152
  186   1HB   PHE  24          2HB       PHE  24   0.068   0.103  -3.447
  187   2HB   PHE  24          3HB       PHE  24  -0.223  -1.003  -4.771
  188    HD1  PHE  24          2HD       PHE  24  -1.651   2.168  -3.332
  189    HD2  PHE  24          1HD       PHE  24  -0.868  -0.166  -6.871
  190    HE1  PHE  24          2HE       PHE  24  -2.443   4.055  -4.759
  191    HE2  PHE  24          1HE       PHE  24  -1.615   1.718  -8.280
  192    HZ   PHE  24           HZ       PHE  24  -2.381   3.837  -7.238
  193    H    TRP  25           HN       TRP  25  -0.743  -1.777  -1.166
  194    HA   TRP  25           HA       TRP  25  -2.019   0.132   0.700
  195   1HB   TRP  25          2HB       TRP  25  -1.604  -2.843   1.168
  196   2HB   TRP  25          3HB       TRP  25  -2.579  -1.739   2.102
  197    HD1  TRP  25           HD1      TRP  25  -2.652  -4.093  -0.829
  198    HE1  TRP  25           HE1      TRP  25  -4.985  -4.303  -1.801
  199    HE3  TRP  25           HE3      TRP  25  -4.761  -0.558   1.908
  200    HZ2  TRP  25           HZ2      TRP  25  -7.542  -2.799  -1.562
  201    HZ3  TRP  25           HZ3      TRP  25  -7.213   0.239   1.443
  202    HH2  TRP  25           HH2      TRP  25  -8.522  -0.889  -0.291
  203    H    HIS  26           HN       HIS  26  -0.836  -0.223   2.873
  204    HA   HIS  26           HA       HIS  26   2.049  -0.945   2.566
  205   1HB   HIS  26          2HB       HIS  26   0.523   0.302   4.879
  206   2HB   HIS  26          3HB       HIS  26   2.215  -0.127   4.957
  207    HD2  HIS  26           HD2      HIS  26   3.779   1.225   2.864
  208    HE1  HIS  26           HE1      HIS  26   1.389   4.704   3.312
  209    HE2  HIS  26           HE2      HIS  26   3.581   3.836   2.405
  210    H    LYS  27           HN       LYS  27   2.854  -2.311   4.452
  211    HA   LYS  27           HA       LYS  27   1.894  -4.819   4.832
  212   1HB   LYS  27          2HB       LYS  27   3.548  -2.939   6.439
  213   2HB   LYS  27          3HB       LYS  27   2.997  -4.414   7.213
  214   1HG   LYS  27          2HG       LYS  27   4.057  -5.777   5.491
  215   2HG   LYS  27          3HG       LYS  27   4.580  -4.344   4.611
  216   1HD   LYS  27          2HD       LYS  27   5.351  -4.810   7.538
  217   2HD   LYS  27          3HD       LYS  27   6.296  -5.475   6.204
  218   1HE   LYS  27          2HE       LYS  27   6.574  -3.209   5.241
  219   2HE   LYS  27          3HE       LYS  27   5.637  -2.514   6.580
  220   1HZ   LYS  27          1HZ       LYS  27   8.198  -3.939   6.920
  221   2HZ   LYS  27          2HZ       LYS  27   8.018  -2.300   6.862
  222   3HZ   LYS  27          3HZ       LYS  27   7.339  -3.124   8.080
  223    H    ALA  28           HN       ALA  28   1.354  -2.362   7.427
  224    HA   ALA  28           HA       ALA  28  -0.792  -4.034   8.446
  225   1HB   ALA  28          1HB       ALA  28   0.907  -2.827   9.840
  226   2HB   ALA  28          2HB       ALA  28   0.089  -1.303   9.419
  227   3HB   ALA  28          3HB       ALA  28  -0.771  -2.566  10.329
  228    H    CYS  29           HN       CYS  29  -0.930  -1.822   5.926
  229    HA   CYS  29           HA       CYS  29  -3.558  -0.694   6.704
  230   1HB   CYS  29          2HB       CYS  29  -1.569   0.005   4.527
  231   2HB   CYS  29          3HB       CYS  29  -3.186   0.662   4.591
  232    H    PHE  30           HN       PHE  30  -2.291  -3.264   4.703
  233    HA   PHE  30           HA       PHE  30  -4.767  -3.453   3.165
  234   1HB   PHE  30          2HB       PHE  30  -2.673  -4.439   2.385
  235   2HB   PHE  30          3HB       PHE  30  -2.664  -5.548   3.751
  236    HD1  PHE  30          1HD       PHE  30  -5.589  -4.553   1.529
  237    HD2  PHE  30          2HD       PHE  30  -2.818  -7.665   2.680
  238    HE1  PHE  30          1HE       PHE  30  -6.913  -6.195   0.268
  239    HE2  PHE  30          2HE       PHE  30  -4.163  -9.299   1.395
  240    HZ   PHE  30           HZ       PHE  30  -6.212  -8.574   0.195
   
  No H/Q in entry =         240
  Start of MODEL   14
    1   1H    ACE   0          1HC       ACE   0   9.253   9.377  -7.474
    2   2H    ACE   0          2HC       ACE   0   9.924   7.893  -8.181
    3   3H    ACE   0          3HC       ACE   0   9.657   9.323  -9.202
    4    H    MET   1           HN       MET   1   7.298  10.184  -8.973
    5    HA   MET   1           HA       MET   1   5.047   9.948  -8.979
    6   1HB   MET   1          2HB       MET   1   4.306   8.971 -11.026
    7   2HB   MET   1          3HB       MET   1   5.782   9.880 -11.284
    8   1HG   MET   1          2HG       MET   1   5.788   6.861 -10.993
    9   2HG   MET   1          3HG       MET   1   5.430   7.652 -12.511
   10   1HE   MET   1          1HE       MET   1   7.238   5.743 -13.174
   11   2HE   MET   1          2HE       MET   1   8.962   5.853 -12.757
   12   3HE   MET   1          3HE       MET   1   7.764   5.434 -11.509
   13    H    ASN   2           HN       ASN   2   5.485   8.671  -6.738
   14    HA   ASN   2           HA       ASN   2   5.311   5.828  -6.996
   15   1HB   ASN   2          2HB       ASN   2   5.407   7.728  -4.622
   16   2HB   ASN   2          3HB       ASN   2   5.208   6.011  -4.379
   17   1HD2  ASN   2          2HD2      ASN   2   8.876   7.383  -5.501
   18   2HD2  ASN   2          1HD2      ASN   2   7.526   8.482  -5.235
   19    HA   PRO   3           HA       PRO   3   0.944   5.189  -6.024
   20   1HB   PRO   3          2HB       PRO   3   0.984   2.798  -4.722
   21   2HB   PRO   3          3HB       PRO   3   1.295   2.935  -6.482
   22   1HG   PRO   3          2HG       PRO   3   3.335   2.747  -4.240
   23   2HG   PRO   3          3HG       PRO   3   3.279   1.805  -5.766
   24   1HD   PRO   3          2HD       PRO   3   4.832   4.030  -5.475
   25   2HD   PRO   3          3HD       PRO   3   4.044   3.637  -7.032
   26    H    ASN   4           HN       ASN   4  -0.433   5.021  -4.061
   27    HA   ASN   4           HA       ASN   4   0.943   5.542  -1.473
   28   1HB   ASN   4          2HB       ASN   4  -1.746   6.603  -2.453
   29   2HB   ASN   4          3HB       ASN   4  -1.321   6.469  -0.771
   30   1HD2  ASN   4          2HD2      ASN   4   0.601   9.432  -2.853
   31   2HD2  ASN   4          1HD2      ASN   4   0.104   8.001  -3.735
   32    H    CYS   5           HN       CYS   5  -0.335   4.731   0.305
   33    HA   CYS   5           HA       CYS   5  -1.617   2.158   0.044
   34   1HB   CYS   5          2HB       CYS   5  -0.313   3.142   1.996
   35   2HB   CYS   5          3HB       CYS   5  -1.624   4.310   2.201
   36    H    ALA   6           HN       ALA   6  -3.643   2.001  -0.718
   37    HA   ALA   6           HA       ALA   6  -5.316   4.330  -1.270
   38   1HB   ALA   6          3HB       ALA   6  -5.718   1.331  -1.553
   39   2HB   ALA   6          1HB       ALA   6  -6.970   2.528  -1.965
   40   3HB   ALA   6          2HB       ALA   6  -5.421   2.523  -2.817
   41    H    ARG   7           HN       ARG   7  -4.657   2.792   1.666
   42    HA   ARG   7           HA       ARG   7  -7.471   2.900   2.621
   43   1HB   ARG   7          2HB       ARG   7  -6.436   0.829   3.120
   44   2HB   ARG   7          3HB       ARG   7  -4.941   1.603   3.622
   45   1HG   ARG   7          2HG       ARG   7  -6.142   0.656   5.515
   46   2HG   ARG   7          3HG       ARG   7  -5.971   2.395   5.676
   47   1HD   ARG   7          2HD       ARG   7  -8.382   2.581   4.731
   48   2HD   ARG   7          3HD       ARG   7  -8.459   0.826   4.867
   49    HE   ARG   7           HE       ARG   7  -8.691   0.977   7.102
   50   1HH1  ARG   7          2HH2      ARG   7  -7.736   4.232   5.912
   51   2HH1  ARG   7          1HH2      ARG   7  -7.636   4.910   7.496
   52   1HH2  ARG   7          2HH1      ARG   7  -8.578   1.983   9.205
   53   2HH2  ARG   7          1HH1      ARG   7  -8.508   3.716   9.342
   54    H    CYS   8           HN       CYS   8  -4.187   4.100   3.689
   55    HA   CYS   8           HA       CYS   8  -5.529   5.343   5.955
   56   1HB   CYS   8          2HB       CYS   8  -3.198   5.559   6.727
   57   2HB   CYS   8          3HB       CYS   8  -3.604   3.900   6.244
   58    H    GLY   9           HN       GLY   9  -3.519   6.344   3.244
   59   1HA   GLY   9          1HA       GLY   9  -4.098   8.673   2.339
   60   2HA   GLY   9          2HA       GLY   9  -3.804   9.222   3.985
   61    H    LYS  10           HN       LYS  10  -1.496   6.773   3.548
   62    HA   LYS  10           HA       LYS  10   0.488   8.828   2.770
   63   1HB   LYS  10          2HB       LYS  10   0.623   6.386   4.541
   64   2HB   LYS  10          3HB       LYS  10   1.934   7.528   4.323
   65   1HG   LYS  10          2HG       LYS  10  -0.747   8.617   5.290
   66   2HG   LYS  10          3HG       LYS  10   0.110   7.534   6.314
   67   1HD   LYS  10          2HD       LYS  10   1.004   9.474   7.072
   68   2HD   LYS  10          3HD       LYS  10   2.160   9.241   5.777
   69   1HE   LYS  10          2HE       LYS  10  -0.302  11.049   5.806
   70   2HE   LYS  10          3HE       LYS  10   1.385  11.544   5.884
   71   1HZ   LYS  10          2HZ       LYS  10   1.640  10.622   3.609
   72   2HZ   LYS  10          3HZ       LYS  10  -0.019  10.450   3.543
   73   3HZ   LYS  10          1HZ       LYS  10   0.654  11.917   3.718
   74    H    ILE  11           HN       ILE  11   2.363   8.414   1.719
   75    HA   ILE  11           HA       ILE  11   2.076   6.973  -0.655
   76    HB   ILE  11           HB       ILE  11   3.599   8.996   0.141
   77   1HG1  ILE  11          2HG1      ILE  11   4.484   7.176  -2.125
   78   2HG1  ILE  11          3HG1      ILE  11   3.057   8.219  -2.186
   79   1HG2  ILE  11          1HG2      ILE  11   5.083   7.541   1.542
   80   2HG2  ILE  11          2HG2      ILE  11   5.625   6.723   0.051
   81   3HG2  ILE  11          3HG2      ILE  11   5.943   8.438   0.287
   82   1HD1  ILE  11          3HD1      ILE  11   4.533  10.201  -1.680
   83   2HD1  ILE  11          1HD1      ILE  11   5.938   9.127  -1.895
   84   3HD1  ILE  11          2HD1      ILE  11   4.824   9.423  -3.240
   85    H    VAL  12           HN       VAL  12   3.429   5.238  -1.527
   86    HA   VAL  12           HA       VAL  12   4.332   3.272   0.501
   87    HB   VAL  12           HB       VAL  12   2.547   2.905  -1.901
   88   1HG1  VAL  12          3HG1      VAL  12   4.284   1.187  -2.285
   89   2HG1  VAL  12          1HG1      VAL  12   4.071   0.598  -0.629
   90   3HG1  VAL  12          2HG1      VAL  12   2.749   0.467  -1.777
   91   1HG2  VAL  12          1HG2      VAL  12   1.642   3.188   0.449
   92   2HG2  VAL  12          2HG2      VAL  12   1.175   1.662  -0.323
   93   3HG2  VAL  12          3HG2      VAL  12   2.468   1.696   0.896
   94    H    TYR  13           HN       TYR  13   5.970   1.822  -0.306
   95    HA   TYR  13           HA       TYR  13   7.926   2.994  -2.210
   96   1HB   TYR  13          2HB       TYR  13   8.114   2.080   0.697
   97   2HB   TYR  13          3HB       TYR  13   9.502   2.052  -0.344
   98    HD1  TYR  13           HD1      TYR  13   6.957   4.342   1.118
   99    HD2  TYR  13           HD2      TYR  13  10.857   3.960  -0.674
  100    HE1  TYR  13           HE1      TYR  13   7.474   6.681   1.752
  101    HE2  TYR  13           HE2      TYR  13  11.399   6.278  -0.007
  102    HH   TYR  13           HH       TYR  13  10.489   7.953   1.920
  103    HA   PRO  14           HA       PRO  14   8.173  -1.190  -3.637
  104   1HB   PRO  14          2HB       PRO  14  10.837  -1.557  -4.258
  105   2HB   PRO  14          3HB       PRO  14   9.680  -0.594  -5.223
  106   1HG   PRO  14          2HG       PRO  14  11.639   0.382  -3.132
  107   2HG   PRO  14          3HG       PRO  14  11.350   1.036  -4.777
  108   1HD   PRO  14          2HD       PRO  14  10.208   2.165  -2.592
  109   2HD   PRO  14          3HD       PRO  14   9.287   2.013  -4.117
  110    H    THR  15           HN       THR  15  10.057  -0.321  -0.767
  111    HA   THR  15           HA       THR  15  10.651  -3.110  -0.135
  112    HB   THR  15           HB       THR  15  10.935  -0.542   1.471
  113    HG1  THR  15          1HG       THR  15  12.616  -2.019  -0.273
  114   1HG2  THR  15          2HG2      THR  15  12.165  -3.289   1.936
  115   2HG2  THR  15          3HG2      THR  15  12.695  -1.787   2.730
  116   3HG2  THR  15          1HG2      THR  15  11.071  -2.412   3.017
  117    H    GLU  16           HN       GLU  16   7.823  -1.068   0.348
  118    HA   GLU  16           HA       GLU  16   6.968  -2.885   2.555
  119   1HB   GLU  16          2HB       GLU  16   7.082  -1.141   3.843
  120   2HB   GLU  16          3HB       GLU  16   7.438  -0.060   2.490
  121   1HG   GLU  16          2HG       GLU  16   4.569  -0.596   2.825
  122   2HG   GLU  16          3HG       GLU  16   5.382   0.067   4.220
  123    H    LYS  17           HN       LYS  17   6.063  -1.571  -0.480
  124    HA   LYS  17           HA       LYS  17   3.421  -1.771  -0.843
  125   1HB   LYS  17          2HB       LYS  17   3.963  -2.993  -3.019
  126   2HB   LYS  17          3HB       LYS  17   4.778  -1.451  -2.749
  127   1HG   LYS  17          2HG       LYS  17   6.845  -2.418  -2.347
  128   2HG   LYS  17          3HG       LYS  17   6.231  -3.990  -1.923
  129   1HD   LYS  17          2HD       LYS  17   6.172  -2.852  -4.736
  130   2HD   LYS  17          3HD       LYS  17   7.412  -3.942  -4.082
  131   1HE   LYS  17          2HE       LYS  17   5.579  -5.613  -3.541
  132   2HE   LYS  17          3HE       LYS  17   4.443  -4.567  -4.402
  133   1HZ   LYS  17          2HZ       LYS  17   6.037  -4.791  -6.336
  134   2HZ   LYS  17          3HZ       LYS  17   6.775  -5.989  -5.507
  135   3HZ   LYS  17          1HZ       LYS  17   5.187  -6.156  -5.939
  136    H    VAL  18           HN       VAL  18   1.930  -3.096   0.207
  137    HA   VAL  18           HA       VAL  18   2.127  -5.881   0.283
  138    HB   VAL  18           HB       VAL  18  -0.134  -3.867   0.334
  139   1HG1  VAL  18          1HG1      VAL  18  -0.465  -6.839   0.888
  140   2HG1  VAL  18          2HG1      VAL  18  -1.653  -5.554   1.238
  141   3HG1  VAL  18          3HG1      VAL  18  -1.231  -5.908  -0.424
  142   1HG2  VAL  18          1HG2      VAL  18   1.404  -3.923   2.267
  143   2HG2  VAL  18          2HG2      VAL  18  -0.202  -4.522   2.736
  144   3HG2  VAL  18          3HG2      VAL  18   1.127  -5.659   2.461
  145    H    ASN  19           HN       ASN  19   0.580  -7.271  -1.178
  146    HA   ASN  19           HA       ASN  19  -0.046  -5.982  -3.759
  147   1HB   ASN  19          2HB       ASN  19   1.979  -7.552  -3.937
  148   2HB   ASN  19          3HB       ASN  19   0.881  -8.886  -3.574
  149   1HD2  ASN  19          2HD2      ASN  19  -0.747  -8.614  -6.850
  150   2HD2  ASN  19          1HD2      ASN  19  -1.064  -9.166  -5.229
  151    H    CYS  20           HN       CYS  20  -2.132  -6.216  -4.363
  152    HA   CYS  20           HA       CYS  20  -3.831  -8.329  -3.283
  153   1HB   CYS  20          2HB       CYS  20  -4.236  -5.355  -2.747
  154   2HB   CYS  20          3HB       CYS  20  -5.494  -6.583  -2.512
  155    HG   CYS  20           HG       CYS  20  -4.627  -5.875  -0.215
  156    H    LEU  21           HN       LEU  21  -6.182  -7.036  -4.063
  157    HA   LEU  21           HA       LEU  21  -6.890  -7.871  -6.413
  158   1HB   LEU  21          2HB       LEU  21  -7.658  -5.273  -5.039
  159   2HB   LEU  21          3HB       LEU  21  -8.470  -5.821  -6.495
  160    HG   LEU  21           HG       LEU  21  -9.403  -7.727  -5.451
  161   1HD1  LEU  21          1HD1      LEU  21  -7.792  -7.145  -2.927
  162   2HD1  LEU  21          2HD1      LEU  21  -9.102  -8.326  -3.074
  163   3HD1  LEU  21          3HD1      LEU  21  -7.627  -8.571  -3.995
  164   1HD2  LEU  21          2HD2      LEU  21 -10.462  -5.530  -5.009
  165   2HD2  LEU  21          3HD2      LEU  21 -10.731  -6.668  -3.681
  166   3HD2  LEU  21          1HD2      LEU  21  -9.524  -5.371  -3.514
  167    H    ASP  22           HN       ASP  22  -6.256  -4.326  -6.373
  168    HA   ASP  22           HA       ASP  22  -4.947  -4.556  -9.023
  169   1HB   ASP  22          2HB       ASP  22  -6.381  -2.913  -9.877
  170   2HB   ASP  22          3HB       ASP  22  -7.470  -3.915  -8.913
  171    H    LYS  23           HN       LYS  23  -4.478  -3.377  -5.862
  172    HA   LYS  23           HA       LYS  23  -2.697  -1.243  -6.763
  173   1HB   LYS  23          2HB       LYS  23  -3.788   0.559  -5.529
  174   2HB   LYS  23          3HB       LYS  23  -4.698  -0.060  -6.807
  175   1HG   LYS  23          2HG       LYS  23  -5.948  -1.503  -4.977
  176   2HG   LYS  23          3HG       LYS  23  -5.232  -0.354  -3.843
  177   1HD   LYS  23          2HD       LYS  23  -6.371   1.509  -4.867
  178   2HD   LYS  23          3HD       LYS  23  -6.756   0.571  -6.320
  179   1HE   LYS  23          2HE       LYS  23  -8.143  -0.969  -4.926
  180   2HE   LYS  23          3HE       LYS  23  -7.953   0.153  -3.563
  181   1HZ   LYS  23          1HZ       LYS  23  -9.146   0.813  -6.201
  182   2HZ   LYS  23          2HZ       LYS  23  -9.986   0.513  -4.829
  183   3HZ   LYS  23          3HZ       LYS  23  -9.015   1.852  -4.938
  184    H    PHE  24           HN       PHE  24  -2.553   0.081  -4.445
  185    HA   PHE  24           HA       PHE  24  -0.697  -1.803  -3.028
  186   1HB   PHE  24          2HB       PHE  24  -0.478   1.147  -3.663
  187   2HB   PHE  24          3HB       PHE  24   0.596   0.311  -2.566
  188    HD1  PHE  24          2HD       PHE  24   2.219  -1.342  -3.354
  189    HD2  PHE  24          1HD       PHE  24  -0.377   0.717  -6.118
  190    HE1  PHE  24          2HE       PHE  24   3.695  -2.005  -5.245
  191    HE2  PHE  24          1HE       PHE  24   1.094   0.043  -7.993
  192    HZ   PHE  24           HZ       PHE  24   3.132  -1.319  -7.557
  193    H    TRP  25           HN       TRP  25  -0.480  -1.787  -0.848
  194    HA   TRP  25           HA       TRP  25  -1.939   0.114   0.849
  195   1HB   TRP  25          2HB       TRP  25  -1.839  -2.865   1.443
  196   2HB   TRP  25          3HB       TRP  25  -2.795  -1.627   2.228
  197    HD1  TRP  25           HD1      TRP  25  -2.838  -4.067  -0.667
  198    HE1  TRP  25           HE1      TRP  25  -5.188  -4.071  -1.746
  199    HE3  TRP  25           HE3      TRP  25  -4.853  -0.002   1.623
  200    HZ2  TRP  25           HZ2      TRP  25  -7.408  -2.301  -1.976
  201    HZ3  TRP  25           HZ3      TRP  25  -7.145   0.844   0.937
  202    HH2  TRP  25           HH2      TRP  25  -8.376  -0.265  -0.890
  203    H    HIS  26           HN       HIS  26  -0.862   0.155   2.982
  204    HA   HIS  26           HA       HIS  26   1.982  -0.704   3.061
  205   1HB   HIS  26          2HB       HIS  26   0.115   0.255   5.290
  206   2HB   HIS  26          3HB       HIS  26   1.791  -0.190   5.531
  207    HD2  HIS  26           HD2      HIS  26   3.632   1.219   3.982
  208    HE1  HIS  26           HE1      HIS  26   1.153   4.640   3.554
  209    HE2  HIS  26           HE2      HIS  26   3.504   3.725   3.174
  210    H    LYS  27           HN       LYS  27   2.728  -2.347   4.519
  211    HA   LYS  27           HA       LYS  27   1.518  -4.807   4.697
  212   1HB   LYS  27          2HB       LYS  27   3.859  -4.072   5.283
  213   2HB   LYS  27          3HB       LYS  27   3.249  -3.506   6.842
  214   1HG   LYS  27          2HG       LYS  27   2.492  -5.864   7.324
  215   2HG   LYS  27          3HG       LYS  27   3.196  -6.356   5.769
  216   1HD   LYS  27          2HD       LYS  27   5.428  -5.545   6.516
  217   2HD   LYS  27          3HD       LYS  27   4.726  -4.994   8.039
  218   1HE   LYS  27          2HE       LYS  27   5.896  -7.100   8.340
  219   2HE   LYS  27          3HE       LYS  27   4.173  -7.286   8.671
  220   1HZ   LYS  27          1HZ       LYS  27   5.476  -8.038   6.122
  221   2HZ   LYS  27          2HZ       LYS  27   5.110  -9.091   7.340
  222   3HZ   LYS  27          3HZ       LYS  27   3.910  -8.319   6.521
  223    H    ALA  28           HN       ALA  28   1.346  -2.276   7.212
  224    HA   ALA  28           HA       ALA  28  -0.557  -3.629   8.856
  225   1HB   ALA  28          1HB       ALA  28   0.354  -0.725   8.714
  226   2HB   ALA  28          2HB       ALA  28  -0.583  -1.440  10.039
  227   3HB   ALA  28          3HB       ALA  28   1.066  -2.013   9.709
  228    H    CYS  29           HN       CYS  29  -1.127  -1.963   5.896
  229    HA   CYS  29           HA       CYS  29  -3.824  -1.033   6.697
  230   1HB   CYS  29          2HB       CYS  29  -1.962  -0.208   4.457
  231   2HB   CYS  29          3HB       CYS  29  -3.618   0.343   4.621
  232    H    PHE  30           HN       PHE  30  -2.594  -3.805   5.532
  233    HA   PHE  30           HA       PHE  30  -3.906  -4.445   3.156
  234   1HB   PHE  30          2HB       PHE  30  -2.391  -5.965   4.435
  235   2HB   PHE  30          3HB       PHE  30  -3.663  -6.218   5.625
  236    HD1  PHE  30          2HD       PHE  30  -5.886  -7.324   4.845
  237    HD2  PHE  30          1HD       PHE  30  -2.288  -7.314   2.474
  238    HE1  PHE  30          2HE       PHE  30  -6.823  -9.100   3.413
  239    HE2  PHE  30          1HE       PHE  30  -3.232  -9.092   1.038
  240    HZ   PHE  30           HZ       PHE  30  -5.526  -9.958   1.461
   
  No H/Q in entry =         240
  Start of MODEL   15
    1   1H    ACE   0          1HC       ACE   0   6.642  11.685 -10.714
    2   2H    ACE   0          2HC       ACE   0   6.450  13.227  -9.837
    3   3H    ACE   0          3HC       ACE   0   7.724  12.086  -9.369
    4    H    MET   1           HN       MET   1   4.244  11.662 -10.111
    5    HA   MET   1           HA       MET   1   3.388  11.104  -7.410
    6   1HB   MET   1          2HB       MET   1   2.119  10.318 -10.070
    7   2HB   MET   1          3HB       MET   1   1.398  10.105  -8.468
    8   1HG   MET   1          2HG       MET   1   2.095  12.733  -8.322
    9   2HG   MET   1          3HG       MET   1   1.801  12.595 -10.052
   10   1HE   MET   1          2HE       MET   1  -0.359  13.162 -10.999
   11   2HE   MET   1          3HE       MET   1  -0.643  11.402 -10.926
   12   3HE   MET   1          1HE       MET   1  -1.913  12.543 -10.419
   13    H    ASN   2           HN       ASN   2   3.941   9.472  -6.225
   14    HA   ASN   2           HA       ASN   2   4.575   6.751  -7.247
   15   1HB   ASN   2          2HB       ASN   2   4.517   8.133  -4.538
   16   2HB   ASN   2          3HB       ASN   2   4.638   6.392  -4.652
   17   1HD2  ASN   2          2HD2      ASN   2   7.983   8.551  -5.113
   18   2HD2  ASN   2          1HD2      ASN   2   6.423   9.369  -4.924
   19    HA   PRO   3           HA       PRO   3   0.309   5.676  -6.036
   20   1HB   PRO   3          2HB       PRO   3   0.570   3.149  -5.034
   21   2HB   PRO   3          3HB       PRO   3   0.670   3.501  -6.789
   22   1HG   PRO   3          2HG       PRO   3   2.947   3.130  -4.818
   23   2HG   PRO   3          3HG       PRO   3   2.756   2.409  -6.448
   24   1HD   PRO   3          2HD       PRO   3   4.269   4.643  -6.002
   25   2HD   PRO   3          3HD       PRO   3   3.340   4.428  -7.512
   26    H    ASN   4           HN       ASN   4  -0.912   5.610  -4.109
   27    HA   ASN   4           HA       ASN   4   0.588   5.836  -1.549
   28   1HB   ASN   4          2HB       ASN   4  -1.686   7.539  -2.593
   29   2HB   ASN   4          3HB       ASN   4  -1.348   7.354  -0.876
   30   1HD2  ASN   4          2HD2      ASN   4   1.498   9.310  -3.203
   31   2HD2  ASN   4          1HD2      ASN   4   0.378   8.197  -3.944
   32    H    CYS   5           HN       CYS   5  -0.608   5.239   0.273
   33    HA   CYS   5           HA       CYS   5  -1.655   2.654   0.152
   34   1HB   CYS   5          2HB       CYS   5  -0.447   3.800   2.019
   35   2HB   CYS   5          3HB       CYS   5  -1.879   4.753   2.352
   36    H    ALA   6           HN       ALA   6  -3.543   2.086  -0.623
   37    HA   ALA   6           HA       ALA   6  -5.852   3.745  -0.896
   38   1HB   ALA   6          2HB       ALA   6  -5.509   0.730  -0.768
   39   2HB   ALA   6          3HB       ALA   6  -7.010   1.566  -1.243
   40   3HB   ALA   6          1HB       ALA   6  -5.525   1.737  -2.214
   41    H    ARG   7           HN       ARG   7  -4.436   2.450   2.006
   42    HA   ARG   7           HA       ARG   7  -7.041   2.661   3.409
   43   1HB   ARG   7          2HB       ARG   7  -5.213   0.782   3.842
   44   2HB   ARG   7          3HB       ARG   7  -4.531   1.998   4.902
   45   1HG   ARG   7          2HG       ARG   7  -7.258   0.681   5.069
   46   2HG   ARG   7          3HG       ARG   7  -5.905   0.560   6.187
   47   1HD   ARG   7          2HD       ARG   7  -7.188   2.027   7.360
   48   2HD   ARG   7          3HD       ARG   7  -6.244   3.177   6.442
   49    HE   ARG   7           HE       ARG   7  -8.094   3.532   4.961
   50   1HH1  ARG   7          2HH2      ARG   7  -9.007   1.655   7.885
   51   2HH1  ARG   7          1HH2      ARG   7 -10.660   2.122   7.790
   52   1HH2  ARG   7          2HH1      ARG   7 -10.265   3.754   4.634
   53   2HH2  ARG   7          1HH1      ARG   7 -11.437   3.375   5.870
   54    H    CYS   8           HN       CYS   8  -3.615   3.826   3.923
   55    HA   CYS   8           HA       CYS   8  -4.800   5.705   5.835
   56   1HB   CYS   8          2HB       CYS   8  -2.617   5.893   6.739
   57   2HB   CYS   8          3HB       CYS   8  -2.892   4.181   6.391
   58    H    GLY   9           HN       GLY   9  -3.485   5.874   2.636
   59   1HA   GLY   9          1HA       GLY   9  -3.510   7.708   1.212
   60   2HA   GLY   9          2HA       GLY   9  -3.670   8.804   2.583
   61    H    LYS  10           HN       LYS  10  -1.014   6.752   3.361
   62    HA   LYS  10           HA       LYS  10   0.838   8.860   2.440
   63   1HB   LYS  10          2HB       LYS  10   1.467   6.396   4.110
   64   2HB   LYS  10          3HB       LYS  10   2.452   7.851   3.896
   65   1HG   LYS  10          2HG       LYS  10   0.551   9.169   4.930
   66   2HG   LYS  10          3HG       LYS  10  -0.246   7.656   5.279
   67   1HD   LYS  10          2HD       LYS  10   2.349   7.275   6.322
   68   2HD   LYS  10          3HD       LYS  10   1.958   8.953   6.700
   69   1HE   LYS  10          2HE       LYS  10   1.220   7.595   8.541
   70   2HE   LYS  10          3HE       LYS  10  -0.230   8.160   7.692
   71   1HZ   LYS  10          1HZ       LYS  10  -0.325   5.969   6.613
   72   2HZ   LYS  10          2HZ       LYS  10   1.024   5.500   7.451
   73   3HZ   LYS  10          3HZ       LYS  10  -0.378   5.851   8.255
   74    H    ILE  11           HN       ILE  11   2.903   8.289   1.462
   75    HA   ILE  11           HA       ILE  11   2.568   6.940  -0.981
   76    HB   ILE  11           HB       ILE  11   4.250   8.793   0.122
   77   1HG1  ILE  11          2HG1      ILE  11   4.938   7.260  -2.380
   78   2HG1  ILE  11          3HG1      ILE  11   3.645   8.468  -2.260
   79   1HG2  ILE  11          3HG2      ILE  11   5.618   6.997   1.248
   80   2HG2  ILE  11          1HG2      ILE  11   6.098   6.431  -0.370
   81   3HG2  ILE  11          2HG2      ILE  11   6.511   8.067   0.174
   82   1HD1  ILE  11          1HD1      ILE  11   5.394  10.136  -1.423
   83   2HD1  ILE  11          2HD1      ILE  11   6.631   8.952  -1.912
   84   3HD1  ILE  11          3HD1      ILE  11   5.531   9.651  -3.106
   85    H    VAL  12           HN       VAL  12   3.396   4.887  -1.783
   86    HA   VAL  12           HA       VAL  12   4.059   2.956   0.408
   87    HB   VAL  12           HB       VAL  12   2.759   2.237  -2.221
   88   1HG1  VAL  12          3HG1      VAL  12   3.891   0.502  -0.688
   89   2HG1  VAL  12          1HG1      VAL  12   2.620   0.846   0.485
   90   3HG1  VAL  12          2HG1      VAL  12   2.185   0.204  -1.099
   91   1HG2  VAL  12          3HG2      VAL  12   1.340   2.995   0.361
   92   2HG2  VAL  12          1HG2      VAL  12   1.194   3.748  -1.238
   93   3HG2  VAL  12          2HG2      VAL  12   0.588   2.115  -0.984
   94    H    TYR  13           HN       TYR  13   6.270   3.022   0.432
   95    HA   TYR  13           HA       TYR  13   7.763   3.206  -2.066
   96   1HB   TYR  13          2HB       TYR  13   8.564   2.794   0.826
   97   2HB   TYR  13          3HB       TYR  13   9.731   2.750  -0.469
   98    HD1  TYR  13           HD2      TYR  13   9.867   4.772  -2.102
   99    HD2  TYR  13           HD1      TYR  13   8.044   4.939   1.813
  100    HE1  TYR  13           HE2      TYR  13  10.166   7.198  -2.083
  101    HE2  TYR  13           HE1      TYR  13   8.372   7.388   1.853
  102    HH   TYR  13           HH       TYR  13  10.358   9.041  -0.406
  103    HA   PRO  14           HA       PRO  14   8.287  -1.196  -2.642
  104   1HB   PRO  14          2HB       PRO  14  10.587  -1.368  -4.031
  105   2HB   PRO  14          3HB       PRO  14   9.068  -0.679  -4.693
  106   1HG   PRO  14          2HG       PRO  14  11.437   0.834  -3.548
  107   2HG   PRO  14          3HG       PRO  14  10.546   1.155  -5.072
  108   1HD   PRO  14          2HD       PRO  14  10.017   2.484  -2.739
  109   2HD   PRO  14          3HD       PRO  14   8.746   2.122  -3.941
  110    H    THR  15           HN       THR  15   8.417  -1.336  -0.540
  111    HA   THR  15           HA       THR  15  10.184  -3.274   0.357
  112    HB   THR  15           HB       THR  15  10.399  -0.724   2.022
  113    HG1  THR  15          1HG       THR  15  11.746  -1.352   0.035
  114   1HG2  THR  15          2HG2      THR  15  11.483  -3.524   2.567
  115   2HG2  THR  15          3HG2      THR  15  12.017  -2.056   3.410
  116   3HG2  THR  15          1HG2      THR  15  10.345  -2.602   3.578
  117    H    GLU  16           HN       GLU  16   7.492  -1.026   0.875
  118    HA   GLU  16           HA       GLU  16   6.271  -2.960   2.784
  119   1HB   GLU  16          2HB       GLU  16   7.036  -0.790   3.659
  120   2HB   GLU  16          3HB       GLU  16   5.935   0.039   2.534
  121   1HG   GLU  16          2HG       GLU  16   4.061  -1.049   3.801
  122   2HG   GLU  16          3HG       GLU  16   5.240  -1.893   4.792
  123    H    LYS  17           HN       LYS  17   6.014  -1.980  -0.426
  124    HA   LYS  17           HA       LYS  17   3.188  -1.750  -0.803
  125   1HB   LYS  17          2HB       LYS  17   5.423  -2.903  -2.518
  126   2HB   LYS  17          3HB       LYS  17   3.767  -2.795  -3.098
  127   1HG   LYS  17          2HG       LYS  17   3.789  -0.415  -3.138
  128   2HG   LYS  17          3HG       LYS  17   5.300  -0.327  -2.212
  129   1HD   LYS  17          2HD       LYS  17   6.604  -1.179  -3.962
  130   2HD   LYS  17          3HD       LYS  17   5.225  -1.791  -4.851
  131   1HE   LYS  17          2HE       LYS  17   5.333   1.184  -4.393
  132   2HE   LYS  17          3HE       LYS  17   6.545   0.485  -5.479
  133   1HZ   LYS  17          2HZ       LYS  17   4.782  -0.546  -6.741
  134   2HZ   LYS  17          3HZ       LYS  17   3.627   0.171  -5.820
  135   3HZ   LYS  17          1HZ       LYS  17   4.646   1.073  -6.758
  136    H    VAL  18           HN       VAL  18   1.567  -3.278  -1.215
  137    HA   VAL  18           HA       VAL  18   2.238  -5.987  -1.396
  138    HB   VAL  18           HB       VAL  18   0.476  -6.776   0.003
  139   1HG1  VAL  18          1HG1      VAL  18   2.404  -5.976   1.338
  140   2HG1  VAL  18          2HG1      VAL  18   1.572  -4.401   1.565
  141   3HG1  VAL  18          3HG1      VAL  18   0.873  -5.880   2.239
  142   1HG2  VAL  18          2HG2      VAL  18  -0.541  -3.954   0.053
  143   2HG2  VAL  18          3HG2      VAL  18  -1.353  -5.415  -0.564
  144   3HG2  VAL  18          1HG2      VAL  18  -1.123  -5.228   1.166
  145    H    ASN  19           HN       ASN  19   0.507  -7.051  -2.713
  146    HA   ASN  19           HA       ASN  19  -1.695  -5.450  -3.690
  147   1HB   ASN  19          2HB       ASN  19  -0.290  -4.688  -5.355
  148   2HB   ASN  19          3HB       ASN  19   0.375  -6.300  -5.660
  149   1HD2  ASN  19          2HD2      ASN  19  -2.198  -7.472  -7.653
  150   2HD2  ASN  19          1HD2      ASN  19  -0.908  -7.791  -6.447
  151    H    CYS  20           HN       CYS  20  -3.462  -6.760  -4.017
  152    HA   CYS  20           HA       CYS  20  -2.985  -9.522  -4.763
  153   1HB   CYS  20          2HB       CYS  20  -3.253  -9.371  -2.135
  154   2HB   CYS  20          3HB       CYS  20  -4.969  -9.083  -2.514
  155    HG   CYS  20           HG       CYS  20  -4.641 -11.577  -1.829
  156    H    LEU  21           HN       LEU  21  -3.982  -6.965  -5.915
  157    HA   LEU  21           HA       LEU  21  -6.520  -7.831  -7.009
  158   1HB   LEU  21          2HB       LEU  21  -7.214  -6.959  -4.766
  159   2HB   LEU  21          3HB       LEU  21  -6.409  -5.436  -5.103
  160    HG   LEU  21           HG       LEU  21  -8.003  -5.203  -7.126
  161   1HD1  LEU  21          2HD1      LEU  21  -8.709  -7.612  -7.229
  162   2HD1  LEU  21          3HD1      LEU  21  -9.441  -7.435  -5.627
  163   3HD1  LEU  21          1HD1      LEU  21 -10.080  -6.526  -7.018
  164   1HD2  LEU  21          2HD2      LEU  21  -8.274  -4.012  -4.924
  165   2HD2  LEU  21          3HD2      LEU  21  -9.795  -4.356  -5.755
  166   3HD2  LEU  21          1HD2      LEU  21  -9.291  -5.349  -4.367
  167    H    ASP  22           HN       ASP  22  -5.666  -4.448  -6.543
  168    HA   ASP  22           HA       ASP  22  -4.000  -4.312  -8.943
  169   1HB   ASP  22          2HB       ASP  22  -6.429  -4.356  -9.728
  170   2HB   ASP  22          3HB       ASP  22  -6.690  -2.883  -8.795
  171    H    LYS  23           HN       LYS  23  -3.976  -3.619  -5.930
  172    HA   LYS  23           HA       LYS  23  -3.903  -0.640  -5.995
  173   1HB   LYS  23          2HB       LYS  23  -5.331  -2.222  -3.827
  174   2HB   LYS  23          3HB       LYS  23  -5.343  -0.483  -4.067
  175   1HG   LYS  23          2HG       LYS  23  -6.708  -2.575  -5.819
  176   2HG   LYS  23          3HG       LYS  23  -7.484  -1.517  -4.648
  177   1HD   LYS  23          2HD       LYS  23  -6.869   0.464  -6.016
  178   2HD   LYS  23          3HD       LYS  23  -6.037  -0.566  -7.159
  179   1HE   LYS  23          2HE       LYS  23  -8.134  -0.153  -8.133
  180   2HE   LYS  23          3HE       LYS  23  -8.198  -1.814  -7.552
  181   1HZ   LYS  23          1HZ       LYS  23  -9.283   0.506  -6.084
  182   2HZ   LYS  23          2HZ       LYS  23 -10.161  -0.444  -7.087
  183   3HZ   LYS  23          3HZ       LYS  23  -9.518  -1.083  -5.690
  184    H    PHE  24           HN       PHE  24  -2.898   0.222  -3.985
  185    HA   PHE  24           HA       PHE  24  -0.801  -1.658  -3.011
  186   1HB   PHE  24          2HB       PHE  24  -0.711   1.319  -3.628
  187   2HB   PHE  24          3HB       PHE  24   0.516   0.482  -2.687
  188    HD1  PHE  24          2HD       PHE  24   1.610  -1.642  -3.719
  189    HD2  PHE  24          1HD       PHE  24  -0.530   1.296  -6.040
  190    HE1  PHE  24          2HE       PHE  24   2.769  -2.407  -5.769
  191    HE2  PHE  24          1HE       PHE  24   0.682   0.573  -8.071
  192    HZ   PHE  24           HZ       PHE  24   2.318  -1.295  -7.952
  193    H    TRP  25           HN       TRP  25  -0.485  -1.833  -0.905
  194    HA   TRP  25           HA       TRP  25  -1.801  -0.008   0.995
  195   1HB   TRP  25          2HB       TRP  25  -1.826  -3.012   1.454
  196   2HB   TRP  25          3HB       TRP  25  -2.707  -1.769   2.264
  197    HD1  TRP  25           HD1      TRP  25  -2.814  -3.775  -1.017
  198    HE1  TRP  25           HE1      TRP  25  -5.222  -3.753  -1.928
  199    HE3  TRP  25           HE3      TRP  25  -4.853  -0.644   2.335
  200    HZ2  TRP  25           HZ2      TRP  25  -7.619  -2.140  -1.518
  201    HZ3  TRP  25           HZ3      TRP  25  -7.225   0.196   2.090
  202    HH2  TRP  25           HH2      TRP  25  -8.548  -0.473   0.110
  203    H    HIS  26           HN       HIS  26  -0.778  -0.511   3.178
  204    HA   HIS  26           HA       HIS  26   2.095  -1.272   2.927
  205   1HB   HIS  26          2HB       HIS  26   0.630   0.255   5.126
  206   2HB   HIS  26          3HB       HIS  26   2.325  -0.138   5.148
  207    HD2  HIS  26           HD2      HIS  26   3.757   0.911   2.789
  208    HE1  HIS  26           HE1      HIS  26   1.482   4.478   3.066
  209    HE2  HIS  26           HE2      HIS  26   3.617   3.476   2.195
  210    H    LYS  27           HN       LYS  27   2.941  -2.267   5.111
  211    HA   LYS  27           HA       LYS  27   2.092  -4.705   5.875
  212   1HB   LYS  27          2HB       LYS  27   3.301  -2.359   7.365
  213   2HB   LYS  27          3HB       LYS  27   2.955  -3.864   8.203
  214   1HG   LYS  27          2HG       LYS  27   4.484  -5.119   6.983
  215   2HG   LYS  27          3HG       LYS  27   4.572  -3.935   5.677
  216   1HD   LYS  27          2HD       LYS  27   6.612  -3.886   6.882
  217   2HD   LYS  27          3HD       LYS  27   5.796  -2.362   7.144
  218   1HE   LYS  27          2HE       LYS  27   5.743  -4.682   9.140
  219   2HE   LYS  27          3HE       LYS  27   7.002  -3.446   9.102
  220   1HZ   LYS  27          1HZ       LYS  27   5.177  -1.778   9.391
  221   2HZ   LYS  27          2HZ       LYS  27   4.161  -3.025   9.775
  222   3HZ   LYS  27          3HZ       LYS  27   5.466  -2.740  10.686
  223    H    ALA  28           HN       ALA  28   1.245  -2.086   8.164
  224    HA   ALA  28           HA       ALA  28  -0.970  -3.620   9.157
  225   1HB   ALA  28          3HB       ALA  28   0.531  -2.256  10.569
  226   2HB   ALA  28          1HB       ALA  28  -0.069  -0.774   9.782
  227   3HB   ALA  28          2HB       ALA  28  -1.157  -1.774  10.764
  228    H    CYS  29           HN       CYS  29  -1.046  -1.964   6.312
  229    HA   CYS  29           HA       CYS  29  -3.624  -0.550   6.827
  230   1HB   CYS  29          2HB       CYS  29  -1.484  -0.283   4.699
  231   2HB   CYS  29          3HB       CYS  29  -3.053   0.487   4.581
  232    H    PHE  30           HN       PHE  30  -2.298  -3.377   5.195
  233    HA   PHE  30           HA       PHE  30  -4.217  -3.386   3.088
  234   1HB   PHE  30          2HB       PHE  30  -2.084  -4.702   3.084
  235   2HB   PHE  30          3HB       PHE  30  -2.757  -5.758   4.311
  236    HD1  PHE  30          2HD       PHE  30  -5.056  -4.567   1.601
  237    HD2  PHE  30          1HD       PHE  30  -2.312  -7.701   2.800
  238    HE1  PHE  30          2HE       PHE  30  -5.960  -6.005  -0.112
  239    HE2  PHE  30          1HE       PHE  30  -3.246  -9.149   1.013
  240    HZ   PHE  30           HZ       PHE  30  -5.086  -8.275  -0.468
   
  No H/Q in entry =         240
  Start of MODEL   16
    1   1H    ACE   0          1HC       ACE   0   8.684   9.611 -10.296
    2   2H    ACE   0          2HC       ACE   0   9.987   9.772  -9.094
    3   3H    ACE   0          3HC       ACE   0   9.118   8.232  -9.263
    4    H    MET   1           HN       MET   1   6.591  10.035  -9.642
    5    HA   MET   1           HA       MET   1   5.918  10.552  -6.815
    6   1HB   MET   1          2HB       MET   1   4.446  10.689  -9.442
    7   2HB   MET   1          3HB       MET   1   3.540  10.332  -7.972
    8   1HG   MET   1          2HG       MET   1   3.513  12.701  -8.350
    9   2HG   MET   1          3HG       MET   1   4.421  12.365  -6.886
   10   1HE   MET   1          3HE       MET   1   7.275  12.230  -6.983
   11   2HE   MET   1          1HE       MET   1   7.880  13.801  -7.518
   12   3HE   MET   1          2HE       MET   1   6.522  13.720  -6.380
   13    H    ASN   2           HN       ASN   2   5.720   8.934  -5.518
   14    HA   ASN   2           HA       ASN   2   5.726   6.169  -6.473
   15   1HB   ASN   2          2HB       ASN   2   5.945   7.612  -3.827
   16   2HB   ASN   2          3HB       ASN   2   5.614   5.902  -3.810
   17   1HD2  ASN   2          2HD2      ASN   2   9.382   7.254  -4.464
   18   2HD2  ASN   2          1HD2      ASN   2   8.029   8.356  -4.303
   19    HA   PRO   3           HA       PRO   3   1.383   5.404  -5.941
   20   1HB   PRO   3          2HB       PRO   3   1.313   2.950  -4.681
   21   2HB   PRO   3          3HB       PRO   3   1.674   3.198  -6.422
   22   1HG   PRO   3          2HG       PRO   3   3.632   2.810  -4.141
   23   2HG   PRO   3          3HG       PRO   3   3.638   2.027  -5.751
   24   1HD   PRO   3          2HD       PRO   3   5.197   4.163  -5.220
   25   2HD   PRO   3          3HD       PRO   3   4.385   4.004  -6.807
   26    H    ASN   4           HN       ASN   4  -0.333   5.007  -4.228
   27    HA   ASN   4           HA       ASN   4   0.563   5.844  -1.515
   28   1HB   ASN   4          2HB       ASN   4  -1.591   7.129  -3.206
   29   2HB   ASN   4          3HB       ASN   4  -1.677   7.093  -1.450
   30   1HD2  ASN   4          2HD2      ASN   4   1.455   9.312  -2.988
   31   2HD2  ASN   4          1HD2      ASN   4   1.100   7.801  -3.767
   32    H    CYS   5           HN       CYS   5  -0.685   5.109   0.130
   33    HA   CYS   5           HA       CYS   5  -1.576   2.439  -0.041
   34   1HB   CYS   5          2HB       CYS   5  -0.404   3.643   1.824
   35   2HB   CYS   5          3HB       CYS   5  -1.869   4.582   2.102
   36    H    ALA   6           HN       ALA   6  -3.558   1.699  -0.578
   37    HA   ALA   6           HA       ALA   6  -5.869   3.389  -0.887
   38   1HB   ALA   6          3HB       ALA   6  -5.503   1.380  -2.222
   39   2HB   ALA   6          1HB       ALA   6  -5.609   0.366  -0.767
   40   3HB   ALA   6          2HB       ALA   6  -7.032   1.265  -1.339
   41    H    ARG   7           HN       ARG   7  -4.446   2.387   2.034
   42    HA   ARG   7           HA       ARG   7  -7.098   2.386   3.441
   43   1HB   ARG   7          2HB       ARG   7  -5.465   0.500   3.860
   44   2HB   ARG   7          3HB       ARG   7  -4.415   1.672   4.643
   45   1HG   ARG   7          2HG       ARG   7  -7.259   1.020   5.448
   46   2HG   ARG   7          3HG       ARG   7  -5.837   0.219   6.094
   47   1HD   ARG   7          2HD       ARG   7  -5.783   1.713   7.712
   48   2HD   ARG   7          3HD       ARG   7  -5.164   2.862   6.551
   49    HE   ARG   7           HE       ARG   7  -7.100   4.042   6.780
   50   1HH1  ARG   7          2HH2      ARG   7  -7.858   0.663   7.611
   51   2HH1  ARG   7          1HH2      ARG   7  -9.528   0.948   7.906
   52   1HH2  ARG   7          2HH1      ARG   7  -9.304   4.464   7.411
   53   2HH2  ARG   7          1HH1      ARG   7 -10.257   3.188   8.092
   54    H    CYS   8           HN       CYS   8  -3.717   3.633   3.907
   55    HA   CYS   8           HA       CYS   8  -4.860   5.571   5.781
   56   1HB   CYS   8          2HB       CYS   8  -2.637   5.951   6.469
   57   2HB   CYS   8          3HB       CYS   8  -2.835   4.202   6.276
   58    H    GLY   9           HN       GLY   9  -3.893   5.540   2.462
   59   1HA   GLY   9          1HA       GLY   9  -4.156   7.185   0.874
   60   2HA   GLY   9          2HA       GLY   9  -4.486   8.373   2.130
   61    H    LYS  10           HN       LYS  10  -1.576   6.843   3.088
   62    HA   LYS  10           HA       LYS  10  -0.090   9.169   2.023
   63   1HB   LYS  10          2HB       LYS  10   0.775   7.073   4.057
   64   2HB   LYS  10          3HB       LYS  10   1.649   8.531   3.587
   65   1HG   LYS  10          2HG       LYS  10  -0.630   9.733   4.294
   66   2HG   LYS  10          3HG       LYS  10  -0.850   8.261   5.236
   67   1HD   LYS  10          2HD       LYS  10   0.230   9.754   6.705
   68   2HD   LYS  10          3HD       LYS  10   1.513   8.658   6.173
   69   1HE   LYS  10          2HE       LYS  10   2.040  10.486   4.383
   70   2HE   LYS  10          3HE       LYS  10   0.960  11.535   5.318
   71   1HZ   LYS  10          1HZ       LYS  10   2.473  10.959   7.266
   72   2HZ   LYS  10          2HZ       LYS  10   3.526  10.340   6.153
   73   3HZ   LYS  10          3HZ       LYS  10   3.113  11.925   6.121
   74    H    ILE  11           HN       ILE  11   2.155   8.841   1.311
   75    HA   ILE  11           HA       ILE  11   2.319   7.233  -0.932
   76    HB   ILE  11           HB       ILE  11   3.655   9.320   0.013
   77   1HG1  ILE  11          2HG1      ILE  11   4.964   7.353  -1.861
   78   2HG1  ILE  11          3HG1      ILE  11   3.648   8.459  -2.290
   79   1HG2  ILE  11          2HG2      ILE  11   4.827   8.015   1.808
   80   2HG2  ILE  11          3HG2      ILE  11   5.701   7.131   0.534
   81   3HG2  ILE  11          1HG2      ILE  11   5.914   8.878   0.708
   82   1HD1  ILE  11          3HD1      ILE  11   5.182  10.366  -1.397
   83   2HD1  ILE  11          1HD1      ILE  11   6.497   9.175  -1.561
   84   3HD1  ILE  11          2HD1      ILE  11   5.521   9.647  -2.968
   85    H    VAL  12           HN       VAL  12   3.653   5.377  -1.471
   86    HA   VAL  12           HA       VAL  12   4.260   3.504   0.761
   87    HB   VAL  12           HB       VAL  12   3.033   2.933  -1.969
   88   1HG1  VAL  12          1HG1      VAL  12   3.614   1.006   0.327
   89   2HG1  VAL  12          2HG1      VAL  12   2.739   0.616  -1.164
   90   3HG1  VAL  12          3HG1      VAL  12   4.444   1.058  -1.242
   91   1HG2  VAL  12          1HG2      VAL  12   1.398   3.916  -0.312
   92   2HG2  VAL  12          2HG2      VAL  12   0.993   2.296  -0.884
   93   3HG2  VAL  12          3HG2      VAL  12   1.691   2.510   0.724
   94    H    TYR  13           HN       TYR  13   6.101   2.101   0.347
   95    HA   TYR  13           HA       TYR  13   7.879   2.978  -1.871
   96   1HB   TYR  13          2HB       TYR  13   8.655   2.248   0.966
   97   2HB   TYR  13          3HB       TYR  13   9.764   2.736  -0.289
   98    HD1  TYR  13           HD1      TYR  13   8.784   5.159  -1.464
   99    HD2  TYR  13           HD2      TYR  13   8.488   3.856   2.641
  100    HE1  TYR  13           HE1      TYR  13   8.661   7.506  -0.734
  101    HE2  TYR  13           HE2      TYR  13   8.329   6.202   3.382
  102    HH   TYR  13           HH       TYR  13   8.723   8.906   1.101
  103    HA   PRO  14           HA       PRO  14   7.792  -1.036  -3.174
  104   1HB   PRO  14          2HB       PRO  14  10.418  -1.922  -3.572
  105   2HB   PRO  14          3HB       PRO  14   9.494  -0.852  -4.649
  106   1HG   PRO  14          2HG       PRO  14  11.418  -0.061  -2.437
  107   2HG   PRO  14          3HG       PRO  14  11.367   0.559  -4.115
  108   1HD   PRO  14          2HD       PRO  14  10.245   1.976  -2.173
  109   2HD   PRO  14          3HD       PRO  14   9.304   1.735  -3.673
  110    H    THR  15           HN       THR  15  10.119  -0.872  -0.417
  111    HA   THR  15           HA       THR  15  10.223  -3.626   0.107
  112    HB   THR  15           HB       THR  15  10.980  -2.777   2.386
  113    HG1  THR  15          1HG       THR  15  10.985  -0.713   2.783
  114   1HG2  THR  15          2HG2      THR  15  12.555  -3.125   0.479
  115   2HG2  THR  15          3HG2      THR  15  12.313  -1.440  -0.020
  116   3HG2  THR  15          1HG2      THR  15  13.052  -1.816   1.553
  117    H    GLU  16           HN       GLU  16   7.578  -1.447   0.635
  118    HA   GLU  16           HA       GLU  16   6.204  -3.559   2.186
  119   1HB   GLU  16          2HB       GLU  16   7.085  -1.723   3.671
  120   2HB   GLU  16          3HB       GLU  16   6.007  -0.591   2.836
  121   1HG   GLU  16          2HG       GLU  16   4.102  -1.554   3.781
  122   2HG   GLU  16          3HG       GLU  16   4.816  -3.161   3.902
  123    H    LYS  17           HN       LYS  17   6.250  -2.223  -0.735
  124    HA   LYS  17           HA       LYS  17   3.394  -1.625  -0.957
  125   1HB   LYS  17          2HB       LYS  17   3.659  -1.122  -3.155
  126   2HB   LYS  17          3HB       LYS  17   5.181  -0.633  -2.464
  127   1HG   LYS  17          2HG       LYS  17   5.972  -1.548  -4.344
  128   2HG   LYS  17          3HG       LYS  17   6.010  -2.996  -3.349
  129   1HD   LYS  17          2HD       LYS  17   3.674  -3.550  -4.392
  130   2HD   LYS  17          3HD       LYS  17   3.924  -2.140  -5.418
  131   1HE   LYS  17          2HE       LYS  17   4.628  -4.017  -6.709
  132   2HE   LYS  17          3HE       LYS  17   6.094  -3.163  -6.214
  133   1HZ   LYS  17          1HZ       LYS  17   6.281  -4.848  -4.391
  134   2HZ   LYS  17          2HZ       LYS  17   5.017  -5.665  -5.069
  135   3HZ   LYS  17          3HZ       LYS  17   6.422  -5.444  -5.905
  136    H    VAL  18           HN       VAL  18   2.420  -3.349   0.047
  137    HA   VAL  18           HA       VAL  18   2.859  -6.018  -0.610
  138    HB   VAL  18           HB       VAL  18   0.717  -6.490   0.447
  139   1HG1  VAL  18          1HG1      VAL  18   2.509  -5.876   2.011
  140   2HG1  VAL  18          2HG1      VAL  18   2.032  -4.165   1.921
  141   3HG1  VAL  18          3HG1      VAL  18   0.929  -5.371   2.608
  142   1HG2  VAL  18          2HG2      VAL  18   0.166  -3.522   0.220
  143   2HG2  VAL  18          3HG2      VAL  18  -0.675  -4.838  -0.642
  144   3HG2  VAL  18          1HG2      VAL  18  -0.811  -4.727   1.100
  145    H    ASN  19           HN       ASN  19   1.050  -7.395  -1.697
  146    HA   ASN  19           HA       ASN  19  -0.055  -5.999  -4.104
  147   1HB   ASN  19          2HB       ASN  19   1.397  -7.906  -4.731
  148   2HB   ASN  19          3HB       ASN  19   0.534  -8.963  -3.606
  149   1HD2  ASN  19          2HD2      ASN  19  -1.564  -7.655  -6.945
  150   2HD2  ASN  19          1HD2      ASN  19  -0.305  -6.646  -6.296
  151    H    CYS  20           HN       CYS  20  -2.284  -6.363  -4.642
  152    HA   CYS  20           HA       CYS  20  -3.999  -7.865  -2.841
  153   1HB   CYS  20          2HB       CYS  20  -3.648  -5.582  -1.876
  154   2HB   CYS  20          3HB       CYS  20  -4.295  -4.876  -3.372
  155    HG   CYS  20           HG       CYS  20  -5.886  -7.162  -1.550
  156    H    LEU  21           HN       LEU  21  -6.081  -6.185  -4.135
  157    HA   LEU  21           HA       LEU  21  -6.824  -7.722  -6.412
  158   1HB   LEU  21          2HB       LEU  21  -7.749  -5.183  -5.027
  159   2HB   LEU  21          3HB       LEU  21  -8.428  -5.585  -6.595
  160    HG   LEU  21           HG       LEU  21  -9.472  -7.500  -5.869
  161   1HD1  LEU  21          2HD1      LEU  21  -7.709  -8.600  -4.529
  162   2HD1  LEU  21          3HD1      LEU  21  -8.029  -7.457  -3.201
  163   3HD1  LEU  21          1HD1      LEU  21  -9.265  -8.611  -3.721
  164   1HD2  LEU  21          1HD2      LEU  21 -10.406  -5.289  -4.988
  165   2HD2  LEU  21          2HD2      LEU  21 -10.902  -6.694  -4.049
  166   3HD2  LEU  21          3HD2      LEU  21  -9.611  -5.647  -3.446
  167    H    ASP  22           HN       ASP  22  -6.187  -4.207  -6.320
  168    HA   ASP  22           HA       ASP  22  -4.695  -4.168  -8.822
  169   1HB   ASP  22          2HB       ASP  22  -6.370  -2.727  -9.943
  170   2HB   ASP  22          3HB       ASP  22  -6.954  -4.351  -9.651
  171    H    LYS  23           HN       LYS  23  -4.032  -3.389  -6.075
  172    HA   LYS  23           HA       LYS  23  -3.546  -0.537  -6.470
  173   1HB   LYS  23          2HB       LYS  23  -4.562   0.249  -4.361
  174   2HB   LYS  23          3HB       LYS  23  -5.704  -0.275  -5.499
  175   1HG   LYS  23          2HG       LYS  23  -4.754  -2.314  -3.488
  176   2HG   LYS  23          3HG       LYS  23  -5.735  -0.989  -2.874
  177   1HD   LYS  23          2HD       LYS  23  -6.616  -2.810  -5.133
  178   2HD   LYS  23          3HD       LYS  23  -7.014  -3.084  -3.435
  179   1HE   LYS  23          2HE       LYS  23  -8.249  -1.009  -3.292
  180   2HE   LYS  23          3HE       LYS  23  -7.678  -0.496  -4.892
  181   1HZ   LYS  23          2HZ       LYS  23  -8.887  -2.339  -5.860
  182   2HZ   LYS  23          3HZ       LYS  23  -9.471  -2.766  -4.346
  183   3HZ   LYS  23          1HZ       LYS  23  -9.887  -1.344  -5.046
  184    H    PHE  24           HN       PHE  24  -2.931   0.133  -3.972
  185    HA   PHE  24           HA       PHE  24  -0.575  -1.551  -3.226
  186   1HB   PHE  24          2HB       PHE  24  -0.617   1.490  -3.312
  187   2HB   PHE  24          3HB       PHE  24   0.755   0.457  -2.949
  188    HD1  PHE  24          1HD       PHE  24  -1.508   1.689  -5.638
  189    HD2  PHE  24          2HD       PHE  24   2.075  -0.539  -4.747
  190    HE1  PHE  24          1HE       PHE  24  -0.812   1.887  -7.997
  191    HE2  PHE  24          2HE       PHE  24   2.792  -0.312  -7.101
  192    HZ   PHE  24           HZ       PHE  24   1.355   0.914  -8.735
  193    H    TRP  25           HN       TRP  25  -0.146  -1.526  -0.972
  194    HA   TRP  25           HA       TRP  25  -1.694   0.207   0.771
  195   1HB   TRP  25          2HB       TRP  25  -1.512  -2.726   1.502
  196   2HB   TRP  25          3HB       TRP  25  -2.461  -1.481   2.220
  197    HD1  TRP  25           HD1      TRP  25  -2.435  -3.579  -1.029
  198    HE1  TRP  25           HE1      TRP  25  -4.857  -3.887  -1.783
  199    HE3  TRP  25           HE3      TRP  25  -4.719  -0.678   2.413
  200    HZ2  TRP  25           HZ2      TRP  25  -7.487  -2.837  -1.092
  201    HZ3  TRP  25           HZ3      TRP  25  -7.212  -0.304   2.380
  202    HH2  TRP  25           HH2      TRP  25  -8.575  -1.354   0.602
  203    H    HIS  26           HN       HIS  26  -0.736  -0.536   3.075
  204    HA   HIS  26           HA       HIS  26   2.159  -1.198   2.865
  205   1HB   HIS  26          2HB       HIS  26   0.768   0.256   5.165
  206   2HB   HIS  26          3HB       HIS  26   2.458  -0.192   5.093
  207    HD2  HIS  26           HD2      HIS  26   4.044   1.072   3.229
  208    HE1  HIS  26           HE1      HIS  26   1.554   4.536   3.157
  209    HE2  HIS  26           HE2      HIS  26   3.863   3.645   2.603
  210    H    LYS  27           HN       LYS  27   2.780  -2.352   5.028
  211    HA   LYS  27           HA       LYS  27   1.602  -4.839   5.260
  212   1HB   LYS  27          2HB       LYS  27   3.852  -4.167   5.916
  213   2HB   LYS  27          3HB       LYS  27   3.243  -3.247   7.282
  214   1HG   LYS  27          2HG       LYS  27   2.659  -5.209   8.481
  215   2HG   LYS  27          3HG       LYS  27   2.668  -6.193   7.010
  216   1HD   LYS  27          2HD       LYS  27   4.577  -6.862   8.108
  217   2HD   LYS  27          3HD       LYS  27   5.180  -5.806   6.852
  218   1HE   LYS  27          2HE       LYS  27   4.871  -5.104   9.813
  219   2HE   LYS  27          3HE       LYS  27   6.362  -5.591   9.008
  220   1HZ   LYS  27          2HZ       LYS  27   6.006  -3.522   7.576
  221   2HZ   LYS  27          3HZ       LYS  27   4.923  -3.055   8.723
  222   3HZ   LYS  27          1HZ       LYS  27   6.479  -3.317   9.128
  223    H    ALA  28           HN       ALA  28   1.288  -2.223   7.691
  224    HA   ALA  28           HA       ALA  28  -0.847  -3.576   9.117
  225   1HB   ALA  28          2HB       ALA  28   0.704  -2.064  10.265
  226   2HB   ALA  28          3HB       ALA  28   0.117  -0.697   9.284
  227   3HB   ALA  28          1HB       ALA  28  -0.968  -1.497  10.434
  228    H    CYS  29           HN       CYS  29  -0.889  -1.724   6.231
  229    HA   CYS  29           HA       CYS  29  -3.583  -0.601   6.617
  230   1HB   CYS  29          2HB       CYS  29  -1.357  -0.356   4.588
  231   2HB   CYS  29          3HB       CYS  29  -2.954   0.297   4.277
  232    H    PHE  30           HN       PHE  30  -2.006  -3.258   4.821
  233    HA   PHE  30           HA       PHE  30  -4.246  -3.888   3.136
  234   1HB   PHE  30          2HB       PHE  30  -1.959  -4.809   2.874
  235   2HB   PHE  30          3HB       PHE  30  -2.132  -5.709   4.356
  236    HD1  PHE  30          1HD       PHE  30  -3.746  -7.650   4.496
  237    HD2  PHE  30          2HD       PHE  30  -2.959  -5.594   0.781
  238    HE1  PHE  30          1HE       PHE  30  -4.702  -9.549   3.230
  239    HE2  PHE  30          2HE       PHE  30  -3.872  -7.535  -0.468
  240    HZ   PHE  30           HZ       PHE  30  -4.761  -9.502   0.745
   
  No H/Q in entry =         240
  Start of MODEL   17
    1   1H    ACE   0          1HC       ACE   0  10.088   8.938  -5.351
    2   2H    ACE   0          2HC       ACE   0  11.024   8.934  -6.855
    3   3H    ACE   0          3HC       ACE   0   9.795  10.183  -6.569
    4    H    MET   1           HN       MET   1   7.998   9.846  -7.709
    5    HA   MET   1           HA       MET   1   6.108   8.882  -8.497
    6   1HB   MET   1          2HB       MET   1   6.584   7.661 -10.584
    7   2HB   MET   1          3HB       MET   1   7.412   9.195 -10.417
    8   1HG   MET   1          2HG       MET   1   8.858   6.648  -9.671
    9   2HG   MET   1          3HG       MET   1   8.639   7.055 -11.361
   10   1HE   MET   1          2HE       MET   1   9.119   9.843 -12.032
   11   2HE   MET   1          3HE       MET   1  10.889   9.999 -12.097
   12   3HE   MET   1          1HE       MET   1  10.097   8.535 -12.720
   13    H    ASN   2           HN       ASN   2   5.458   7.793  -6.494
   14    HA   ASN   2           HA       ASN   2   5.153   4.878  -7.060
   15   1HB   ASN   2          2HB       ASN   2   6.023   6.168  -4.490
   16   2HB   ASN   2          3HB       ASN   2   4.939   4.821  -4.363
   17   1HD2  ASN   2          2HD2      ASN   2   8.813   4.064  -4.885
   18   2HD2  ASN   2          1HD2      ASN   2   8.104   5.570  -4.346
   19    HA   PRO   3           HA       PRO   3   0.824   5.666  -6.379
   20   1HB   PRO   3          2HB       PRO   3  -0.100   3.202  -5.627
   21   2HB   PRO   3          3HB       PRO   3   0.515   3.531  -7.272
   22   1HG   PRO   3          2HG       PRO   3   1.995   2.271  -4.943
   23   2HG   PRO   3          3HG       PRO   3   1.946   1.728  -6.655
   24   1HD   PRO   3          2HD       PRO   3   3.979   3.197  -5.633
   25   2HD   PRO   3          3HD       PRO   3   3.451   3.333  -7.338
   26    H    ASN   4           HN       ASN   4  -0.955   5.345  -4.618
   27    HA   ASN   4           HA       ASN   4   0.259   5.720  -1.907
   28   1HB   ASN   4          2HB       ASN   4  -1.971   7.238  -3.274
   29   2HB   ASN   4          3HB       ASN   4  -1.822   7.148  -1.522
   30   1HD2  ASN   4          2HD2      ASN   4   0.884   9.449  -3.574
   31   2HD2  ASN   4          1HD2      ASN   4  -0.194   8.388  -4.446
   32    H    CYS   5           HN       CYS   5  -0.799   5.013  -0.173
   33    HA   CYS   5           HA       CYS   5  -1.926   2.485  -0.228
   34   1HB   CYS   5          2HB       CYS   5  -0.647   3.602   1.566
   35   2HB   CYS   5          3HB       CYS   5  -2.001   4.675   1.874
   36    H    ALA   6           HN       ALA   6  -3.887   1.714  -0.202
   37    HA   ALA   6           HA       ALA   6  -6.245   3.269  -0.909
   38   1HB   ALA   6          3HB       ALA   6  -5.803   0.900  -1.693
   39   2HB   ALA   6          1HB       ALA   6  -5.963   0.395  -0.020
   40   3HB   ALA   6          2HB       ALA   6  -7.353   1.084  -0.860
   41    H    ARG   7           HN       ARG   7  -4.689   2.814   2.117
   42    HA   ARG   7           HA       ARG   7  -7.309   2.942   3.551
   43   1HB   ARG   7          2HB       ARG   7  -5.838   0.795   3.550
   44   2HB   ARG   7          3HB       ARG   7  -4.810   1.667   4.669
   45   1HG   ARG   7          2HG       ARG   7  -7.770   1.551   5.267
   46   2HG   ARG   7          3HG       ARG   7  -6.830   0.063   5.425
   47   1HD   ARG   7          2HD       ARG   7  -5.260   1.122   6.936
   48   2HD   ARG   7          3HD       ARG   7  -6.123   2.676   6.807
   49    HE   ARG   7           HE       ARG   7  -7.809   0.463   7.622
   50   1HH1  ARG   7          2HH2      ARG   7  -5.425   2.758   8.918
   51   2HH1  ARG   7          1HH2      ARG   7  -6.203   2.907  10.472
   52   1HH2  ARG   7          2HH1      ARG   7  -8.556   0.333   9.771
   53   2HH2  ARG   7          1HH1      ARG   7  -8.012   1.429  10.982
   54    H    CYS   8           HN       CYS   8  -3.794   3.923   3.860
   55    HA   CYS   8           HA       CYS   8  -4.640   5.807   5.987
   56   1HB   CYS   8          2HB       CYS   8  -2.273   6.063   6.363
   57   2HB   CYS   8          3HB       CYS   8  -2.665   4.332   6.297
   58    H    GLY   9           HN       GLY   9  -3.223   5.811   2.777
   59   1HA   GLY   9          1HA       GLY   9  -3.387   7.471   1.073
   60   2HA   GLY   9          2HA       GLY   9  -3.942   8.648   2.254
   61    H    LYS  10           HN       LYS  10  -1.109   6.667   3.152
   62    HA   LYS  10           HA       LYS  10   0.747   8.859   2.423
   63   1HB   LYS  10          2HB       LYS  10   1.322   6.213   3.826
   64   2HB   LYS  10          3HB       LYS  10   2.421   7.566   3.577
   65   1HG   LYS  10          2HG       LYS  10   0.513   8.889   4.929
   66   2HG   LYS  10          3HG       LYS  10   0.150   7.269   5.531
   67   1HD   LYS  10          2HD       LYS  10   2.631   7.005   6.083
   68   2HD   LYS  10          3HD       LYS  10   2.847   8.689   5.636
   69   1HE   LYS  10          2HE       LYS  10   2.728   8.662   7.977
   70   2HE   LYS  10          3HE       LYS  10   1.194   9.338   7.417
   71   1HZ   LYS  10          3HZ       LYS  10   1.576   6.512   8.209
   72   2HZ   LYS  10          1HZ       LYS  10   1.077   7.669   9.236
   73   3HZ   LYS  10          2HZ       LYS  10   0.117   7.281   7.977
   74    H    ILE  11           HN       ILE  11   2.529   8.408   1.009
   75    HA   ILE  11           HA       ILE  11   2.009   6.747  -1.201
   76    HB   ILE  11           HB       ILE  11   3.463   8.832  -1.016
   77   1HG1  ILE  11          2HG1      ILE  11   4.581   6.488  -2.590
   78   2HG1  ILE  11          3HG1      ILE  11   3.085   7.344  -3.002
   79   1HG2  ILE  11          1HG2      ILE  11   4.962   7.962   0.813
   80   2HG2  ILE  11          2HG2      ILE  11   5.672   6.846  -0.378
   81   3HG2  ILE  11          3HG2      ILE  11   5.820   8.596  -0.600
   82   1HD1  ILE  11          2HD1      ILE  11   4.295   9.453  -3.228
   83   2HD1  ILE  11          3HD1      ILE  11   5.828   8.609  -2.888
   84   3HD1  ILE  11          1HD1      ILE  11   4.875   8.188  -4.324
   85    H    VAL  12           HN       VAL  12   3.134   4.831  -1.970
   86    HA   VAL  12           HA       VAL  12   3.758   2.969   0.246
   87    HB   VAL  12           HB       VAL  12   2.918   2.333  -2.593
   88   1HG1  VAL  12          2HG1      VAL  12   3.084   0.643  -0.043
   89   2HG1  VAL  12          3HG1      VAL  12   2.438   0.101  -1.598
   90   3HG1  VAL  12          1HG1      VAL  12   4.152   0.510  -1.454
   91   1HG2  VAL  12          1HG2      VAL  12   1.247   2.423  -0.030
   92   2HG2  VAL  12          2HG2      VAL  12   1.079   3.503  -1.431
   93   3HG2  VAL  12          3HG2      VAL  12   0.714   1.797  -1.599
   94    H    TYR  13           HN       TYR  13   5.843   2.704   0.666
   95    HA   TYR  13           HA       TYR  13   7.930   3.294  -1.285
   96   1HB   TYR  13          2HB       TYR  13   7.673   2.696   1.651
   97   2HB   TYR  13          3HB       TYR  13   9.201   2.325   0.897
   98    HD1  TYR  13           HD2      TYR  13   6.763   5.095   1.533
   99    HD2  TYR  13           HD1      TYR  13  10.773   4.042   0.312
  100    HE1  TYR  13           HE2      TYR  13   7.387   7.482   1.505
  101    HE2  TYR  13           HE1      TYR  13  11.384   6.424   0.229
  102    HH   TYR  13           HH       TYR  13  10.244   8.636  -0.040
  103    HA   PRO  14           HA       PRO  14   8.435  -0.503  -3.096
  104   1HB   PRO  14          2HB       PRO  14  11.075  -1.283  -2.961
  105   2HB   PRO  14          3HB       PRO  14  10.475   0.075  -3.954
  106   1HG   PRO  14          2HG       PRO  14  11.638   0.219  -1.149
  107   2HG   PRO  14          3HG       PRO  14  12.106   1.175  -2.577
  108   1HD   PRO  14          2HD       PRO  14  10.404   2.222  -0.837
  109   2HD   PRO  14          3HD       PRO  14  10.008   2.362  -2.569
  110    H    THR  15           HN       THR  15  10.395  -0.937  -0.017
  111    HA   THR  15           HA       THR  15  10.175  -3.710  -0.150
  112    HB   THR  15           HB       THR  15  10.638  -2.323   2.473
  113    HG1  THR  15          1HG       THR  15  12.346  -2.130   0.205
  114   1HG2  THR  15          2HG2      THR  15  12.058  -4.523   0.914
  115   2HG2  THR  15          3HG2      THR  15  12.646  -3.856   2.450
  116   3HG2  THR  15          1HG2      THR  15  11.093  -4.700   2.393
  117    H    GLU  16           HN       GLU  16   7.755  -1.508   0.774
  118    HA   GLU  16           HA       GLU  16   6.318  -3.510   2.435
  119   1HB   GLU  16          2HB       GLU  16   6.987  -1.601   3.666
  120   2HB   GLU  16          3HB       GLU  16   6.349  -0.474   2.434
  121   1HG   GLU  16          2HG       GLU  16   4.154  -0.948   3.057
  122   2HG   GLU  16          3HG       GLU  16   4.572  -2.426   3.924
  123    H    LYS  17           HN       LYS  17   6.223  -2.421  -0.748
  124    HA   LYS  17           HA       LYS  17   3.434  -1.930  -1.050
  125   1HB   LYS  17          2HB       LYS  17   3.708  -2.462  -3.436
  126   2HB   LYS  17          3HB       LYS  17   4.875  -1.309  -2.838
  127   1HG   LYS  17          2HG       LYS  17   6.586  -2.526  -3.599
  128   2HG   LYS  17          3HG       LYS  17   6.085  -3.916  -2.650
  129   1HD   LYS  17          2HD       LYS  17   6.188  -4.703  -4.851
  130   2HD   LYS  17          3HD       LYS  17   4.456  -4.467  -4.562
  131   1HE   LYS  17          2HE       LYS  17   4.605  -2.241  -5.696
  132   2HE   LYS  17          3HE       LYS  17   6.331  -2.503  -5.977
  133   1HZ   LYS  17          3HZ       LYS  17   4.169  -4.197  -7.081
  134   2HZ   LYS  17          1HZ       LYS  17   4.930  -2.995  -7.884
  135   3HZ   LYS  17          2HZ       LYS  17   5.763  -4.342  -7.441
  136    H    VAL  18           HN       VAL  18   2.184  -3.395   0.196
  137    HA   VAL  18           HA       VAL  18   2.109  -6.116  -0.434
  138    HB   VAL  18           HB       VAL  18  -0.326  -4.604   0.517
  139   1HG1  VAL  18          2HG1      VAL  18   0.794  -7.389   1.056
  140   2HG1  VAL  18          3HG1      VAL  18  -0.678  -6.735   1.778
  141   3HG1  VAL  18          1HG1      VAL  18  -0.599  -6.991   0.034
  142   1HG2  VAL  18          1HG2      VAL  18   1.516  -3.775   1.939
  143   2HG2  VAL  18          2HG2      VAL  18   0.382  -4.780   2.810
  144   3HG2  VAL  18          3HG2      VAL  18   1.970  -5.450   2.314
  145    H    ASN  19           HN       ASN  19   1.607  -6.821  -2.539
  146    HA   ASN  19           HA       ASN  19   0.441  -4.738  -4.297
  147   1HB   ASN  19          2HB       ASN  19   2.676  -6.072  -4.673
  148   2HB   ASN  19          3HB       ASN  19   1.620  -7.281  -5.404
  149   1HD2  ASN  19          2HD2      ASN  19   0.518  -4.842  -7.963
  150   2HD2  ASN  19          1HD2      ASN  19  -0.115  -6.217  -7.093
  151    H    CYS  20           HN       CYS  20  -1.696  -4.918  -3.632
  152    HA   CYS  20           HA       CYS  20  -3.094  -7.443  -3.482
  153   1HB   CYS  20          2HB       CYS  20  -3.455  -5.365  -2.064
  154   2HB   CYS  20          3HB       CYS  20  -4.127  -4.581  -3.504
  155    HG   CYS  20           HG       CYS  20  -6.286  -5.061  -2.754
  156    H    LEU  21           HN       LEU  21  -5.325  -7.363  -4.588
  157    HA   LEU  21           HA       LEU  21  -5.004  -7.547  -7.394
  158   1HB   LEU  21          2HB       LEU  21  -7.480  -8.190  -7.389
  159   2HB   LEU  21          3HB       LEU  21  -6.232  -9.241  -6.756
  160    HG   LEU  21           HG       LEU  21  -6.630  -8.439  -4.541
  161   1HD1  LEU  21          1HD1      LEU  21  -9.099  -7.054  -5.696
  162   2HD1  LEU  21          2HD1      LEU  21  -8.821  -7.316  -3.961
  163   3HD1  LEU  21          3HD1      LEU  21  -7.739  -6.265  -4.865
  164   1HD2  LEU  21          3HD2      LEU  21  -7.606 -10.536  -5.282
  165   2HD2  LEU  21          1HD2      LEU  21  -8.720  -9.736  -4.153
  166   3HD2  LEU  21          2HD2      LEU  21  -9.030  -9.673  -5.898
  167    H    ASP  22           HN       ASP  22  -5.412  -4.838  -5.634
  168    HA   ASP  22           HA       ASP  22  -6.986  -3.409  -7.691
  169   1HB   ASP  22          2HB       ASP  22  -8.217  -2.258  -6.086
  170   2HB   ASP  22          3HB       ASP  22  -8.308  -3.953  -5.619
  171    H    LYS  23           HN       LYS  23  -4.858  -2.866  -4.860
  172    HA   LYS  23           HA       LYS  23  -3.256  -0.873  -6.338
  173   1HB   LYS  23          2HB       LYS  23  -4.792  -0.336  -3.737
  174   2HB   LYS  23          3HB       LYS  23  -3.508   0.698  -4.366
  175   1HG   LYS  23          2HG       LYS  23  -5.008   0.675  -6.561
  176   2HG   LYS  23          3HG       LYS  23  -6.285   0.386  -5.385
  177   1HD   LYS  23          2HD       LYS  23  -4.272   2.679  -5.494
  178   2HD   LYS  23          3HD       LYS  23  -6.005   2.787  -5.825
  179   1HE   LYS  23          2HE       LYS  23  -6.563   2.378  -3.516
  180   2HE   LYS  23          3HE       LYS  23  -4.882   1.964  -3.115
  181   1HZ   LYS  23          1HZ       LYS  23  -5.666   4.598  -4.120
  182   2HZ   LYS  23          2HZ       LYS  23  -5.629   4.281  -2.535
  183   3HZ   LYS  23          3HZ       LYS  23  -4.223   4.186  -3.409
  184    H    PHE  24           HN       PHE  24  -1.946   0.037  -4.068
  185    HA   PHE  24           HA       PHE  24  -0.290  -2.261  -3.288
  186   1HB   PHE  24          2HB       PHE  24   0.584   0.613  -3.754
  187   2HB   PHE  24          3HB       PHE  24   1.603  -0.806  -3.548
  188    HD1  PHE  24          2HD       PHE  24  -0.819   0.868  -5.896
  189    HD2  PHE  24          1HD       PHE  24   2.273  -2.116  -5.480
  190    HE1  PHE  24          2HE       PHE  24  -0.739   0.605  -8.351
  191    HE2  PHE  24          1HE       PHE  24   2.347  -2.348  -7.952
  192    HZ   PHE  24           HZ       PHE  24   0.843  -1.006  -9.383
  193    H    TRP  25           HN       TRP  25  -0.164  -2.357  -1.025
  194    HA   TRP  25           HA       TRP  25  -1.310  -0.088   0.555
  195   1HB   TRP  25          2HB       TRP  25  -1.618  -3.026   1.221
  196   2HB   TRP  25          3HB       TRP  25  -2.338  -1.668   2.048
  197    HD1  TRP  25           HD1      TRP  25  -2.548  -3.266  -1.440
  198    HE1  TRP  25           HE1      TRP  25  -5.085  -3.185  -2.253
  199    HE3  TRP  25           HE3      TRP  25  -4.661  -1.031   2.598
  200    HZ2  TRP  25           HZ2      TRP  25  -7.582  -2.586  -1.111
  201    HZ3  TRP  25           HZ3      TRP  25  -7.145  -0.875   2.816
  202    HH2  TRP  25           HH2      TRP  25  -8.606  -1.632   0.962
  203    H    HIS  26           HN       HIS  26  -0.716  -0.872   3.028
  204    HA   HIS  26           HA       HIS  26   2.207  -1.398   3.123
  205   1HB   HIS  26          2HB       HIS  26   0.530   0.316   5.006
  206   2HB   HIS  26          3HB       HIS  26   2.220   0.022   5.206
  207    HD2  HIS  26           HD2      HIS  26   3.885   1.082   3.044
  208    HE1  HIS  26           HE1      HIS  26   1.220   4.347   2.606
  209    HE2  HIS  26           HE2      HIS  26   3.528   3.507   2.078
  210    H    LYS  27           HN       LYS  27   2.821  -2.247   5.459
  211    HA   LYS  27           HA       LYS  27   1.848  -4.800   5.711
  212   1HB   LYS  27          2HB       LYS  27   3.391  -2.983   7.458
  213   2HB   LYS  27          3HB       LYS  27   2.465  -4.153   8.339
  214   1HG   LYS  27          2HG       LYS  27   4.579  -5.124   8.053
  215   2HG   LYS  27          3HG       LYS  27   3.440  -6.013   7.049
  216   1HD   LYS  27          2HD       LYS  27   5.481  -5.731   5.797
  217   2HD   LYS  27          3HD       LYS  27   4.241  -4.724   5.062
  218   1HE   LYS  27          2HE       LYS  27   6.169  -3.384   5.085
  219   2HE   LYS  27          3HE       LYS  27   5.179  -2.788   6.419
  220   1HZ   LYS  27          3HZ       LYS  27   7.551  -4.513   6.696
  221   2HZ   LYS  27          1HZ       LYS  27   7.435  -2.897   6.996
  222   3HZ   LYS  27          2HZ       LYS  27   6.614  -3.942   7.941
  223    H    ALA  28           HN       ALA  28   0.818  -2.229   8.020
  224    HA   ALA  28           HA       ALA  28  -1.486  -3.861   8.829
  225   1HB   ALA  28          1HB       ALA  28  -0.349  -1.218   9.829
  226   2HB   ALA  28          2HB       ALA  28  -1.755  -2.039  10.526
  227   3HB   ALA  28          3HB       ALA  28  -0.187  -2.832  10.576
  228    H    CYS  29           HN       CYS  29  -1.159  -1.893   6.191
  229    HA   CYS  29           HA       CYS  29  -3.789  -0.527   6.529
  230   1HB   CYS  29          2HB       CYS  29  -1.586  -0.335   4.442
  231   2HB   CYS  29          3HB       CYS  29  -3.155   0.431   4.275
  232    H    PHE  30           HN       PHE  30  -2.104  -3.063   4.658
  233    HA   PHE  30           HA       PHE  30  -4.148  -3.737   2.813
  234   1HB   PHE  30          2HB       PHE  30  -1.902  -4.673   2.700
  235   2HB   PHE  30          3HB       PHE  30  -2.110  -5.452   4.263
  236    HD1  PHE  30          1HD       PHE  30  -3.716  -5.326   0.835
  237    HD2  PHE  30          2HD       PHE  30  -2.756  -7.715   4.307
  238    HE1  PHE  30          1HE       PHE  30  -4.551  -7.363  -0.309
  239    HE2  PHE  30          2HE       PHE  30  -3.620  -9.726   3.157
  240    HZ   PHE  30           HZ       PHE  30  -4.502  -9.557   0.840
   
  No H/Q in entry =         240
  Start of MODEL   18
    1   1H    ACE   0          1HC       ACE   0  11.089  11.423  -6.450
    2   2H    ACE   0          2HC       ACE   0  11.134  11.415  -4.673
    3   3H    ACE   0          3HC       ACE   0  11.280   9.893  -5.563
    4    H    MET   1           HN       MET   1   9.308   9.360  -7.055
    5    HA   MET   1           HA       MET   1   6.782  10.074  -5.686
    6   1HB   MET   1          2HB       MET   1   6.926  10.885  -7.998
    7   2HB   MET   1          3HB       MET   1   7.341   9.274  -8.580
    8   1HG   MET   1          2HG       MET   1   4.797   9.765  -7.030
    9   2HG   MET   1          3HG       MET   1   4.901  10.181  -8.739
   10   1HE   MET   1          1HE       MET   1   2.721   8.208  -7.449
   11   2HE   MET   1          2HE       MET   1   2.747   8.678  -9.166
   12   3HE   MET   1          3HE       MET   1   2.649   6.963  -8.713
   13    H    ASN   2           HN       ASN   2   5.429   8.346  -5.220
   14    HA   ASN   2           HA       ASN   2   5.922   5.673  -6.052
   15   1HB   ASN   2          2HB       ASN   2   6.691   6.526  -3.283
   16   2HB   ASN   2          3HB       ASN   2   5.608   5.155  -3.344
   17   1HD2  ASN   2          2HD2      ASN   2   9.540   4.640  -4.166
   18   2HD2  ASN   2          1HD2      ASN   2   8.825   6.039  -3.414
   19    HA   PRO   3           HA       PRO   3   1.575   6.026  -5.827
   20   1HB   PRO   3          2HB       PRO   3   0.575   3.557  -5.129
   21   2HB   PRO   3          3HB       PRO   3   1.395   3.896  -6.686
   22   1HG   PRO   3          2HG       PRO   3   2.573   2.696  -4.174
   23   2HG   PRO   3          3HG       PRO   3   2.724   2.111  -5.854
   24   1HD   PRO   3          2HD       PRO   3   4.654   3.624  -4.663
   25   2HD   PRO   3          3HD       PRO   3   4.276   3.822  -6.399
   26    H    ASN   4           HN       ASN   4  -0.457   5.692  -4.430
   27    HA   ASN   4           HA       ASN   4   0.210   6.751  -1.714
   28   1HB   ASN   4          2HB       ASN   4  -2.134   7.360  -3.599
   29   2HB   ASN   4          3HB       ASN   4  -1.909   8.018  -1.992
   30   1HD2  ASN   4          2HD2      ASN   4   0.307   9.525  -5.127
   31   2HD2  ASN   4          1HD2      ASN   4  -0.553   8.017  -5.296
   32    H    CYS   5           HN       CYS   5  -0.547   5.468  -0.066
   33    HA   CYS   5           HA       CYS   5  -2.046   3.075  -0.521
   34   1HB   CYS   5          2HB       CYS   5  -0.327   3.694   1.309
   35   2HB   CYS   5          3HB       CYS   5  -1.615   4.618   2.046
   36    H    ALA   6           HN       ALA   6  -4.151   3.170  -1.107
   37    HA   ALA   6           HA       ALA   6  -5.955   5.359  -0.534
   38   1HB   ALA   6          3HB       ALA   6  -6.025   3.983  -2.589
   39   2HB   ALA   6          1HB       ALA   6  -6.468   2.557  -1.628
   40   3HB   ALA   6          2HB       ALA   6  -7.574   3.938  -1.726
   41    H    ARG   7           HN       ARG   7  -4.784   3.915   1.858
   42    HA   ARG   7           HA       ARG   7  -7.317   3.194   3.271
   43   1HB   ARG   7          2HB       ARG   7  -5.984   1.131   2.633
   44   2HB   ARG   7          3HB       ARG   7  -4.655   1.767   3.555
   45   1HG   ARG   7          2HG       ARG   7  -5.443   0.583   5.265
   46   2HG   ARG   7          3HG       ARG   7  -6.713   1.779   5.444
   47   1HD   ARG   7          2HD       ARG   7  -6.961  -0.684   3.636
   48   2HD   ARG   7          3HD       ARG   7  -7.380  -0.692   5.336
   49    HE   ARG   7           HE       ARG   7  -9.219   0.624   5.009
   50   1HH1  ARG   7          2HH2      ARG   7  -7.640  -0.005   1.872
   51   2HH1  ARG   7          1HH2      ARG   7  -8.903   0.721   0.934
   52   1HH2  ARG   7          2HH1      ARG   7 -10.932   1.423   3.764
   53   2HH2  ARG   7          1HH1      ARG   7 -10.820   1.634   2.050
   54    H    CYS   8           HN       CYS   8  -3.750   3.859   3.846
   55    HA   CYS   8           HA       CYS   8  -4.493   5.133   6.384
   56   1HB   CYS   8          2HB       CYS   8  -2.115   5.224   6.774
   57   2HB   CYS   8          3HB       CYS   8  -2.562   3.595   6.239
   58    H    GLY   9           HN       GLY   9  -3.526   6.075   3.119
   59   1HA   GLY   9          1HA       GLY   9  -4.049   8.281   2.263
   60   2HA   GLY   9          2HA       GLY   9  -3.721   8.954   3.850
   61    H    LYS  10           HN       LYS  10  -1.283   6.635   3.411
   62    HA   LYS  10           HA       LYS  10   0.543   8.857   2.706
   63   1HB   LYS  10          2HB       LYS  10   1.065   6.463   4.500
   64   2HB   LYS  10          3HB       LYS  10   2.075   7.891   4.265
   65   1HG   LYS  10          2HG       LYS  10  -0.085   9.213   5.021
   66   2HG   LYS  10          3HG       LYS  10  -0.615   7.655   5.666
   67   1HD   LYS  10          2HD       LYS  10   1.436   7.513   7.038
   68   2HD   LYS  10          3HD       LYS  10   2.024   9.013   6.305
   69   1HE   LYS  10          2HE       LYS  10   1.134   9.440   8.532
   70   2HE   LYS  10          3HE       LYS  10   0.179  10.293   7.301
   71   1HZ   LYS  10          3HZ       LYS  10  -0.631   7.665   8.345
   72   2HZ   LYS  10          1HZ       LYS  10  -1.007   9.048   9.137
   73   3HZ   LYS  10          2HZ       LYS  10  -1.569   8.820   7.605
   74    H    ILE  11           HN       ILE  11   2.548   8.463   1.726
   75    HA   ILE  11           HA       ILE  11   2.316   7.015  -0.663
   76    HB   ILE  11           HB       ILE  11   3.682   9.092  -0.089
   77   1HG1  ILE  11          2HG1      ILE  11   5.015   6.927  -1.740
   78   2HG1  ILE  11          3HG1      ILE  11   3.684   7.969  -2.256
   79   1HG2  ILE  11          3HG2      ILE  11   4.948   8.042   1.845
   80   2HG2  ILE  11          1HG2      ILE  11   5.898   7.142   0.647
   81   3HG2  ILE  11          2HG2      ILE  11   5.943   8.919   0.680
   82   1HD1  ILE  11          2HD1      ILE  11   5.157   9.975  -1.817
   83   2HD1  ILE  11          3HD1      ILE  11   6.520   8.850  -1.601
   84   3HD1  ILE  11          1HD1      ILE  11   5.676   8.942  -3.155
   85    H    VAL  12           HN       VAL  12   3.191   5.006  -1.375
   86    HA   VAL  12           HA       VAL  12   3.818   3.114   0.825
   87    HB   VAL  12           HB       VAL  12   2.895   2.562  -2.010
   88   1HG1  VAL  12          3HG1      VAL  12   4.183   0.690  -0.974
   89   2HG1  VAL  12          1HG1      VAL  12   3.107   0.730   0.428
   90   3HG1  VAL  12          2HG1      VAL  12   2.475   0.283  -1.172
   91   1HG2  VAL  12          3HG2      VAL  12   1.122   3.679  -0.694
   92   2HG2  VAL  12          1HG2      VAL  12   0.722   1.990  -1.003
   93   3HG2  VAL  12          2HG2      VAL  12   1.330   2.472   0.595
   94    H    TYR  13           HN       TYR  13   5.920   2.969   1.177
   95    HA   TYR  13           HA       TYR  13   7.953   3.574  -0.771
   96   1HB   TYR  13          2HB       TYR  13   8.087   2.211   1.953
   97   2HB   TYR  13          3HB       TYR  13   9.467   2.772   1.018
   98    HD1  TYR  13           HD2      TYR  13   6.461   3.889   2.943
   99    HD2  TYR  13           HD1      TYR  13  10.073   5.128   0.938
  100    HE1  TYR  13           HE2      TYR  13   6.142   6.166   3.806
  101    HE2  TYR  13           HE1      TYR  13   9.781   7.415   1.819
  102    HH   TYR  13           HH       TYR  13   7.214   8.240   4.138
  103    HA   PRO  14           HA       PRO  14   7.335   0.051  -2.868
  104   1HB   PRO  14          2HB       PRO  14   9.627  -0.508  -4.264
  105   2HB   PRO  14          3HB       PRO  14   8.536   0.866  -4.568
  106   1HG   PRO  14          2HG       PRO  14  11.099   0.836  -2.984
  107   2HG   PRO  14          3HG       PRO  14  10.530   2.033  -4.184
  108   1HD   PRO  14          2HD       PRO  14  10.264   2.431  -1.480
  109   2HD   PRO  14          3HD       PRO  14   9.035   3.008  -2.643
  110    H    THR  15           HN       THR  15   9.965  -0.410  -0.526
  111    HA   THR  15           HA       THR  15  10.197  -3.226  -0.595
  112    HB   THR  15           HB       THR  15  10.621  -2.555   2.002
  113    HG1  THR  15          1HG       THR  15  11.436  -0.399   2.012
  114   1HG2  THR  15          2HG2      THR  15  12.328  -3.412   0.457
  115   2HG2  THR  15          3HG2      THR  15  12.504  -1.796  -0.258
  116   3HG2  THR  15          1HG2      THR  15  12.947  -2.082   1.438
  117    H    GLU  16           HN       GLU  16   7.562  -1.137   0.501
  118    HA   GLU  16           HA       GLU  16   6.520  -3.332   2.185
  119   1HB   GLU  16          2HB       GLU  16   7.137  -0.886   3.027
  120   2HB   GLU  16          3HB       GLU  16   5.552  -0.479   2.394
  121   1HG   GLU  16          2HG       GLU  16   5.276  -1.052   4.702
  122   2HG   GLU  16          3HG       GLU  16   4.732  -2.486   3.867
  123    H    LYS  17           HN       LYS  17   6.097  -2.512  -0.868
  124    HA   LYS  17           HA       LYS  17   3.277  -2.043  -1.157
  125   1HB   LYS  17          2HB       LYS  17   5.219  -3.391  -3.078
  126   2HB   LYS  17          3HB       LYS  17   3.626  -2.792  -3.504
  127   1HG   LYS  17          2HG       LYS  17   5.433  -0.748  -2.289
  128   2HG   LYS  17          3HG       LYS  17   6.046  -1.520  -3.738
  129   1HD   LYS  17          2HD       LYS  17   3.640  -0.896  -4.718
  130   2HD   LYS  17          3HD       LYS  17   3.684   0.297  -3.419
  131   1HE   LYS  17          2HE       LYS  17   4.587   1.332  -5.395
  132   2HE   LYS  17          3HE       LYS  17   5.943   1.062  -4.295
  133   1HZ   LYS  17          3HZ       LYS  17   5.190  -0.713  -6.543
  134   2HZ   LYS  17          1HZ       LYS  17   6.341   0.462  -6.632
  135   3HZ   LYS  17          2HZ       LYS  17   6.557  -0.854  -5.652
  136    H    VAL  18           HN       VAL  18   2.218  -3.581   0.297
  137    HA   VAL  18           HA       VAL  18   2.513  -6.334  -0.035
  138    HB   VAL  18           HB       VAL  18   0.493  -6.630   1.175
  139   1HG1  VAL  18          1HG1      VAL  18   2.343  -5.595   2.469
  140   2HG1  VAL  18          2HG1      VAL  18   1.678  -3.996   2.115
  141   3HG1  VAL  18          3HG1      VAL  18   0.736  -5.141   3.085
  142   1HG2  VAL  18          1HG2      VAL  18  -0.232  -3.875   0.238
  143   2HG2  VAL  18          2HG2      VAL  18  -1.111  -5.396  -0.014
  144   3HG2  VAL  18          3HG2      VAL  18  -1.070  -4.680   1.601
  145    H    ASN  19           HN       ASN  19   0.860  -7.826  -1.108
  146    HA   ASN  19           HA       ASN  19   0.044  -6.639  -3.699
  147   1HB   ASN  19          2HB       ASN  19   1.420  -8.959  -3.291
  148   2HB   ASN  19          3HB       ASN  19  -0.223  -9.588  -3.237
  149   1HD2  ASN  19          2HD2      ASN  19   1.430  -8.790  -6.809
  150   2HD2  ASN  19          1HD2      ASN  19   2.321  -9.013  -5.292
  151    H    CYS  20           HN       CYS  20  -2.102  -6.798  -4.394
  152    HA   CYS  20           HA       CYS  20  -4.142  -7.797  -2.526
  153   1HB   CYS  20          2HB       CYS  20  -3.515  -5.443  -1.993
  154   2HB   CYS  20          3HB       CYS  20  -4.061  -4.957  -3.613
  155    HG   CYS  20           HG       CYS  20  -5.882  -6.632  -1.389
  156    H    LEU  21           HN       LEU  21  -6.327  -6.727  -3.948
  157    HA   LEU  21           HA       LEU  21  -6.736  -8.508  -6.074
  158   1HB   LEU  21          2HB       LEU  21  -8.036  -5.771  -5.637
  159   2HB   LEU  21          3HB       LEU  21  -8.535  -6.980  -6.809
  160    HG   LEU  21           HG       LEU  21  -8.939  -8.572  -4.822
  161   1HD1  LEU  21          2HD1      LEU  21  -8.748  -5.897  -3.330
  162   2HD1  LEU  21          3HD1      LEU  21  -9.553  -7.342  -2.690
  163   3HD1  LEU  21          1HD1      LEU  21  -7.833  -7.386  -3.000
  164   1HD2  LEU  21          1HD2      LEU  21 -10.519  -5.998  -5.200
  165   2HD2  LEU  21          2HD2      LEU  21 -10.692  -7.488  -6.133
  166   3HD2  LEU  21          3HD2      LEU  21 -11.149  -7.484  -4.437
  167    H    ASP  22           HN       ASP  22  -6.362  -4.952  -6.465
  168    HA   ASP  22           HA       ASP  22  -4.147  -5.270  -8.289
  169   1HB   ASP  22          2HB       ASP  22  -6.127  -5.666  -9.782
  170   2HB   ASP  22          3HB       ASP  22  -6.703  -4.054  -9.379
  171    H    LYS  23           HN       LYS  23  -3.816  -4.176  -6.016
  172    HA   LYS  23           HA       LYS  23  -3.821  -1.259  -6.244
  173   1HB   LYS  23          2HB       LYS  23  -5.077  -2.745  -3.904
  174   2HB   LYS  23          3HB       LYS  23  -4.757  -1.011  -3.936
  175   1HG   LYS  23          2HG       LYS  23  -6.733  -2.494  -5.736
  176   2HG   LYS  23          3HG       LYS  23  -7.138  -1.620  -4.268
  177   1HD   LYS  23          2HD       LYS  23  -6.216   0.474  -5.272
  178   2HD   LYS  23          3HD       LYS  23  -6.005  -0.369  -6.802
  179   1HE   LYS  23          2HE       LYS  23  -8.625   0.065  -5.309
  180   2HE   LYS  23          3HE       LYS  23  -8.098   0.919  -6.764
  181   1HZ   LYS  23          1HZ       LYS  23  -8.187  -1.225  -7.943
  182   2HZ   LYS  23          2HZ       LYS  23  -8.750  -1.968  -6.577
  183   3HZ   LYS  23          3HZ       LYS  23  -9.647  -0.807  -7.294
  184    H    PHE  24           HN       PHE  24  -2.285  -0.366  -4.529
  185    HA   PHE  24           HA       PHE  24  -0.421  -2.426  -3.414
  186   1HB   PHE  24          2HB       PHE  24   0.291   0.377  -4.359
  187   2HB   PHE  24          3HB       PHE  24   1.391  -0.846  -3.741
  188    HD1  PHE  24          1HD       PHE  24   0.688  -3.281  -5.235
  189    HD2  PHE  24          2HD       PHE  24   0.902   0.808  -6.604
  190    HE1  PHE  24          1HE       PHE  24   0.969  -4.065  -7.572
  191    HE2  PHE  24          2HE       PHE  24   1.301  -0.007  -8.920
  192    HZ   PHE  24           HZ       PHE  24   1.284  -2.430  -9.411
  193    H    TRP  25           HN       TRP  25   0.095  -2.131  -1.192
  194    HA   TRP  25           HA       TRP  25  -1.012   0.275   0.172
  195   1HB   TRP  25          2HB       TRP  25  -1.378  -2.496   1.357
  196   2HB   TRP  25          3HB       TRP  25  -2.168  -1.017   1.738
  197    HD1  TRP  25           HD1      TRP  25  -2.249  -3.727  -1.009
  198    HE1  TRP  25           HE1      TRP  25  -4.552  -3.732  -2.038
  199    HE3  TRP  25           HE3      TRP  25  -4.112   0.515   1.133
  200    HZ2  TRP  25           HZ2      TRP  25  -6.935  -2.069  -2.056
  201    HZ3  TRP  25           HZ3      TRP  25  -6.380   1.351   0.452
  202    HH2  TRP  25           HH2      TRP  25  -7.784   0.040  -1.121
  203    H    HIS  26           HN       HIS  26  -0.191   0.020   2.577
  204    HA   HIS  26           HA       HIS  26   2.629  -0.980   2.687
  205   1HB   HIS  26          2HB       HIS  26   1.004   0.212   4.974
  206   2HB   HIS  26          3HB       HIS  26   2.720  -0.123   4.960
  207    HD2  HIS  26           HD2      HIS  26   4.355   1.531   3.599
  208    HE1  HIS  26           HE1      HIS  26   1.488   4.668   3.222
  209    HE2  HIS  26           HE2      HIS  26   3.921   4.092   2.951
  210    H    LYS  27           HN       LYS  27   3.120  -2.364   4.670
  211    HA   LYS  27           HA       LYS  27   2.069  -4.780   4.967
  212   1HB   LYS  27          2HB       LYS  27   3.279  -2.794   6.889
  213   2HB   LYS  27          3HB       LYS  27   2.686  -4.297   7.536
  214   1HG   LYS  27          2HG       LYS  27   4.479  -4.386   5.139
  215   2HG   LYS  27          3HG       LYS  27   5.159  -4.047   6.741
  216   1HD   LYS  27          2HD       LYS  27   4.162  -6.174   7.588
  217   2HD   LYS  27          3HD       LYS  27   3.599  -6.538   5.956
  218   1HE   LYS  27          2HE       LYS  27   6.487  -6.203   6.896
  219   2HE   LYS  27          3HE       LYS  27   5.693  -7.715   6.434
  220   1HZ   LYS  27          3HZ       LYS  27   5.429  -6.730   4.193
  221   2HZ   LYS  27          1HZ       LYS  27   6.372  -5.448   4.670
  222   3HZ   LYS  27          2HZ       LYS  27   7.008  -6.944   4.619
  223    H    ALA  28           HN       ALA  28   1.055  -2.304   7.331
  224    HA   ALA  28           HA       ALA  28  -1.095  -3.929   8.299
  225   1HB   ALA  28          2HB       ALA  28   0.278  -2.378   9.687
  226   2HB   ALA  28          3HB       ALA  28  -0.407  -0.994   8.804
  227   3HB   ALA  28          1HB       ALA  28  -1.456  -2.014   9.802
  228    H    CYS  29           HN       CYS  29  -0.985  -1.849   5.581
  229    HA   CYS  29           HA       CYS  29  -3.679  -0.760   5.930
  230   1HB   CYS  29          2HB       CYS  29  -1.549  -0.381   3.806
  231   2HB   CYS  29          3HB       CYS  29  -3.044   0.530   3.957
  232    H    PHE  30           HN       PHE  30  -2.399  -3.608   4.662
  233    HA   PHE  30           HA       PHE  30  -3.961  -4.159   2.379
  234   1HB   PHE  30          2HB       PHE  30  -2.208  -5.667   3.324
  235   2HB   PHE  30          3HB       PHE  30  -3.235  -5.991   4.711
  236    HD1  PHE  30          2HD       PHE  30  -2.802  -6.569   1.052
  237    HD2  PHE  30          1HD       PHE  30  -5.133  -7.528   4.558
  238    HE1  PHE  30          2HE       PHE  30  -3.870  -8.447  -0.151
  239    HE2  PHE  30          1HE       PHE  30  -6.216  -9.378   3.329
  240    HZ   PHE  30           HZ       PHE  30  -5.594  -9.829   0.948
   
  No H/Q in entry =         240
  Start of MODEL   19
    1   1H    ACE   0          1HC       ACE   0   8.848   8.329 -11.115
    2   2H    ACE   0          2HC       ACE   0   9.391   6.862 -10.282
    3   3H    ACE   0          3HC       ACE   0   7.929   6.807 -11.274
    4    H    MET   1           HN       MET   1   6.082   8.239 -10.576
    5    HA   MET   1           HA       MET   1   5.919   9.283  -7.893
    6   1HB   MET   1          2HB       MET   1   4.509  10.009  -9.811
    7   2HB   MET   1          3HB       MET   1   3.717   8.434  -9.816
    8   1HG   MET   1          2HG       MET   1   3.738  10.328  -7.445
    9   2HG   MET   1          3HG       MET   1   2.500  10.335  -8.690
   10   1HE   MET   1          2HE       MET   1   0.648   8.469  -9.057
   11   2HE   MET   1          3HE       MET   1   1.908   7.237  -9.297
   12   3HE   MET   1          1HE       MET   1   0.605   6.950  -8.132
   13    H    ASN   2           HN       ASN   2   5.844   8.011  -6.075
   14    HA   ASN   2           HA       ASN   2   5.493   5.092  -6.374
   15   1HB   ASN   2          2HB       ASN   2   6.272   6.905  -4.090
   16   2HB   ASN   2          3HB       ASN   2   5.611   5.314  -3.740
   17   1HD2  ASN   2          2HD2      ASN   2   9.474   5.631  -4.786
   18   2HD2  ASN   2          1HD2      ASN   2   8.473   6.944  -4.207
   19    HA   PRO   3           HA       PRO   3   1.128   5.933  -5.837
   20   1HB   PRO   3          2HB       PRO   3   0.173   3.356  -5.539
   21   2HB   PRO   3          3HB       PRO   3   0.623   4.100  -7.102
   22   1HG   PRO   3          2HG       PRO   3   2.291   2.287  -5.347
   23   2HG   PRO   3          3HG       PRO   3   2.064   2.216  -7.131
   24   1HD   PRO   3          2HD       PRO   3   4.251   3.352  -6.007
   25   2HD   PRO   3          3HD       PRO   3   3.508   4.035  -7.478
   26    H    ASN   4           HN       ASN   4  -0.569   5.608  -4.197
   27    HA   ASN   4           HA       ASN   4   0.712   5.653  -1.485
   28   1HB   ASN   4          2HB       ASN   4  -1.456   7.418  -2.686
   29   2HB   ASN   4          3HB       ASN   4  -1.160   7.289  -0.959
   30   1HD2  ASN   4          2HD2      ASN   4   1.771   9.177  -3.185
   31   2HD2  ASN   4          1HD2      ASN   4   1.212   7.650  -3.792
   32    H    CYS   5           HN       CYS   5  -0.374   4.797   0.175
   33    HA   CYS   5           HA       CYS   5  -1.760   2.397  -0.086
   34   1HB   CYS   5          2HB       CYS   5  -0.314   3.235   1.775
   35   2HB   CYS   5          3HB       CYS   5  -1.555   4.417   2.170
   36    H    ALA   6           HN       ALA   6  -3.787   2.121  -0.771
   37    HA   ALA   6           HA       ALA   6  -5.711   4.265  -0.966
   38   1HB   ALA   6          1HB       ALA   6  -5.991   1.257  -1.328
   39   2HB   ALA   6          2HB       ALA   6  -7.252   2.446  -1.711
   40   3HB   ALA   6          3HB       ALA   6  -5.714   2.474  -2.592
   41    H    ARG   7           HN       ARG   7  -4.686   2.614   1.785
   42    HA   ARG   7           HA       ARG   7  -7.345   2.677   3.112
   43   1HB   ARG   7          2HB       ARG   7  -5.611   0.791   3.309
   44   2HB   ARG   7          3HB       ARG   7  -4.685   1.863   4.333
   45   1HG   ARG   7          2HG       ARG   7  -7.539   0.954   4.843
   46   2HG   ARG   7          3HG       ARG   7  -6.108   0.100   5.385
   47   1HD   ARG   7          2HD       ARG   7  -5.401   2.227   6.615
   48   2HD   ARG   7          3HD       ARG   7  -7.057   2.810   6.360
   49    HE   ARG   7           HE       ARG   7  -6.095   0.705   8.129
   50   1HH1  ARG   7          2HH2      ARG   7  -9.012   1.924   6.484
   51   2HH1  ARG   7          1HH2      ARG   7 -10.100   0.844   7.274
   52   1HH2  ARG   7          2HH1      ARG   7  -7.489  -0.963   8.906
   53   2HH2  ARG   7          1HH1      ARG   7  -9.191  -0.951   8.517
   54    H    CYS   8           HN       CYS   8  -3.971   3.798   3.878
   55    HA   CYS   8           HA       CYS   8  -5.150   5.673   5.770
   56   1HB   CYS   8          2HB       CYS   8  -2.873   5.918   6.551
   57   2HB   CYS   8          3HB       CYS   8  -3.231   4.193   6.321
   58    H    GLY   9           HN       GLY   9  -3.680   5.798   2.572
   59   1HA   GLY   9          1HA       GLY   9  -3.929   7.568   1.047
   60   2HA   GLY   9          2HA       GLY   9  -4.102   8.724   2.364
   61    H    LYS  10           HN       LYS  10  -1.483   6.711   3.239
   62    HA   LYS  10           HA       LYS  10   0.377   8.850   2.409
   63   1HB   LYS  10          2HB       LYS  10   0.853   6.538   4.313
   64   2HB   LYS  10          3HB       LYS  10   1.862   7.969   4.043
   65   1HG   LYS  10          2HG       LYS  10  -0.229   9.362   4.685
   66   2HG   LYS  10          3HG       LYS  10  -0.911   7.847   5.264
   67   1HD   LYS  10          2HD       LYS  10   0.003   8.958   7.115
   68   2HD   LYS  10          3HD       LYS  10   1.046   7.558   6.766
   69   1HE   LYS  10          2HE       LYS  10   2.726   9.020   5.761
   70   2HE   LYS  10          3HE       LYS  10   1.636  10.416   5.876
   71   1HZ   LYS  10          2HZ       LYS  10   2.721   8.933   8.189
   72   2HZ   LYS  10          3HZ       LYS  10   3.263  10.397   7.675
   73   3HZ   LYS  10          1HZ       LYS  10   1.742  10.233   8.275
   74    H    ILE  11           HN       ILE  11   2.506   8.327   1.548
   75    HA   ILE  11           HA       ILE  11   2.380   6.775  -0.755
   76    HB   ILE  11           HB       ILE  11   3.904   8.719  -0.046
   77   1HG1  ILE  11          2HG1      ILE  11   5.144   6.543  -1.753
   78   2HG1  ILE  11          3HG1      ILE  11   3.782   7.561  -2.247
   79   1HG2  ILE  11          1HG2      ILE  11   5.069   7.616   1.847
   80   2HG2  ILE  11          2HG2      ILE  11   5.831   6.483   0.710
   81   3HG2  ILE  11          3HG2      ILE  11   6.188   8.216   0.629
   82   1HD1  ILE  11          3HD1      ILE  11   5.248   9.582  -1.657
   83   2HD1  ILE  11          1HD1      ILE  11   6.611   8.443  -1.666
   84   3HD1  ILE  11          2HD1      ILE  11   5.628   8.707  -3.130
   85    H    VAL  12           HN       VAL  12   3.368   4.764  -1.454
   86    HA   VAL  12           HA       VAL  12   4.107   2.875   0.725
   87    HB   VAL  12           HB       VAL  12   2.738   2.391  -1.949
   88   1HG1  VAL  12          1HG1      VAL  12   4.319   0.533  -1.448
   89   2HG1  VAL  12          2HG1      VAL  12   3.542   0.323   0.136
   90   3HG1  VAL  12          3HG1      VAL  12   2.626   0.030  -1.341
   91   1HG2  VAL  12          1HG2      VAL  12   1.276   3.237  -0.094
   92   2HG2  VAL  12          2HG2      VAL  12   0.864   1.602  -0.604
   93   3HG2  VAL  12          3HG2      VAL  12   1.774   1.857   0.900
   94    H    TYR  13           HN       TYR  13   6.322   2.630   0.739
   95    HA   TYR  13           HA       TYR  13   7.920   3.513  -1.547
   96   1HB   TYR  13          2HB       TYR  13   8.549   2.146   1.105
   97   2HB   TYR  13          3HB       TYR  13   9.783   2.588  -0.063
   98    HD1  TYR  13           HD2      TYR  13   9.812   5.094  -0.880
   99    HD2  TYR  13           HD1      TYR  13   7.951   3.741   2.769
  100    HE1  TYR  13           HE2      TYR  13   9.916   7.384   0.004
  101    HE2  TYR  13           HE1      TYR  13   8.019   6.042   3.664
  102    HH   TYR  13           HH       TYR  13   9.283   8.798   1.724
  103    HA   PRO  14           HA       PRO  14   7.921  -0.332  -3.646
  104   1HB   PRO  14          2HB       PRO  14  10.479  -0.726  -4.565
  105   2HB   PRO  14          3HB       PRO  14   9.346   0.483  -5.244
  106   1HG   PRO  14          2HG       PRO  14  11.510   0.905  -3.165
  107   2HG   PRO  14          3HG       PRO  14  11.189   1.882  -4.633
  108   1HD   PRO  14          2HD       PRO  14  10.269   2.659  -2.208
  109   2HD   PRO  14          3HD       PRO  14   9.246   2.852  -3.659
  110    H    THR  15           HN       THR  15  10.092   0.046  -0.913
  111    HA   THR  15           HA       THR  15  10.894  -2.636  -0.484
  112    HB   THR  15           HB       THR  15  11.177  -1.609   1.858
  113    HG1  THR  15          1HG       THR  15  10.381   0.252   2.170
  114   1HG2  THR  15          3HG2      THR  15  12.473  -0.177  -0.523
  115   2HG2  THR  15          1HG2      THR  15  13.068  -0.185   1.145
  116   3HG2  THR  15          2HG2      THR  15  13.041  -1.688   0.226
  117    H    GLU  16           HN       GLU  16   7.815  -0.969  -0.035
  118    HA   GLU  16           HA       GLU  16   7.014  -2.926   2.045
  119   1HB   GLU  16          2HB       GLU  16   6.314  -1.272   3.342
  120   2HB   GLU  16          3HB       GLU  16   7.571  -0.380   2.467
  121   1HG   GLU  16          2HG       GLU  16   5.827   0.547   0.970
  122   2HG   GLU  16          3HG       GLU  16   4.631  -0.093   2.103
  123    H    LYS  17           HN       LYS  17   6.463  -2.546  -1.051
  124    HA   LYS  17           HA       LYS  17   3.731  -2.187  -1.512
  125   1HB   LYS  17          2HB       LYS  17   5.800  -3.851  -3.005
  126   2HB   LYS  17          3HB       LYS  17   4.156  -3.578  -3.608
  127   1HG   LYS  17          2HG       LYS  17   4.493  -1.221  -3.811
  128   2HG   LYS  17          3HG       LYS  17   5.996  -1.283  -2.899
  129   1HD   LYS  17          2HD       LYS  17   6.518  -0.965  -5.198
  130   2HD   LYS  17          3HD       LYS  17   7.107  -2.545  -4.719
  131   1HE   LYS  17          2HE       LYS  17   4.413  -2.197  -6.111
  132   2HE   LYS  17          3HE       LYS  17   5.922  -2.136  -7.018
  133   1HZ   LYS  17          1HZ       LYS  17   6.470  -4.344  -6.138
  134   2HZ   LYS  17          2HZ       LYS  17   4.962  -4.477  -5.497
  135   3HZ   LYS  17          3HZ       LYS  17   5.147  -4.307  -7.119
  136    H    VAL  18           HN       VAL  18   2.389  -3.272   0.073
  137    HA   VAL  18           HA       VAL  18   2.049  -6.039   0.068
  138    HB   VAL  18           HB       VAL  18   0.253  -3.655   0.450
  139   1HG1  VAL  18          1HG1      VAL  18  -0.783  -6.490   0.618
  140   2HG1  VAL  18          2HG1      VAL  18  -1.607  -5.038   1.223
  141   3HG1  VAL  18          3HG1      VAL  18  -1.311  -5.227  -0.499
  142   1HG2  VAL  18          3HG2      VAL  18   1.224  -5.892   2.284
  143   2HG2  VAL  18          1HG2      VAL  18   1.802  -4.208   2.261
  144   3HG2  VAL  18          2HG2      VAL  18   0.143  -4.576   2.774
  145    H    ASN  19           HN       ASN  19   0.759  -7.375  -1.318
  146    HA   ASN  19           HA       ASN  19  -0.013  -6.259  -4.003
  147   1HB   ASN  19          2HB       ASN  19  -0.426  -8.919  -4.308
  148   2HB   ASN  19          3HB       ASN  19   1.063  -8.130  -4.782
  149   1HD2  ASN  19          2HD2      ASN  19   0.898 -10.366  -1.284
  150   2HD2  ASN  19          1HD2      ASN  19  -0.338  -9.260  -1.879
  151    H    CYS  20           HN       CYS  20  -2.299  -6.380  -4.371
  152    HA   CYS  20           HA       CYS  20  -3.979  -7.802  -2.410
  153   1HB   CYS  20          2HB       CYS  20  -3.311  -5.459  -1.584
  154   2HB   CYS  20          3HB       CYS  20  -4.271  -4.840  -2.944
  155    HG   CYS  20           HG       CYS  20  -5.368  -4.832  -0.371
  156    H    LEU  21           HN       LEU  21  -6.159  -6.089  -3.474
  157    HA   LEU  21           HA       LEU  21  -7.116  -7.429  -5.774
  158   1HB   LEU  21          2HB       LEU  21  -7.620  -4.578  -4.773
  159   2HB   LEU  21          3HB       LEU  21  -8.412  -5.263  -6.178
  160    HG   LEU  21           HG       LEU  21  -9.408  -7.049  -4.722
  161   1HD1  LEU  21          1HD1      LEU  21  -8.274  -5.307  -2.487
  162   2HD1  LEU  21          2HD1      LEU  21  -9.543  -6.523  -2.268
  163   3HD1  LEU  21          3HD1      LEU  21  -7.929  -7.027  -2.774
  164   1HD2  LEU  21          3HD2      LEU  21 -10.608  -4.970  -5.408
  165   2HD2  LEU  21          1HD2      LEU  21 -11.122  -5.529  -3.811
  166   3HD2  LEU  21          2HD2      LEU  21 -10.010  -4.150  -3.957
  167    H    ASP  22           HN       ASP  22  -6.183  -4.036  -5.935
  168    HA   ASP  22           HA       ASP  22  -4.531  -4.366  -8.359
  169   1HB   ASP  22          2HB       ASP  22  -6.014  -2.844  -9.506
  170   2HB   ASP  22          3HB       ASP  22  -6.987  -4.167  -8.870
  171    H    LYS  23           HN       LYS  23  -4.423  -3.161  -5.325
  172    HA   LYS  23           HA       LYS  23  -3.089  -0.622  -6.157
  173   1HB   LYS  23          2HB       LYS  23  -4.338  -0.714  -3.432
  174   2HB   LYS  23          3HB       LYS  23  -3.859   0.658  -4.387
  175   1HG   LYS  23          2HG       LYS  23  -6.339  -1.030  -4.776
  176   2HG   LYS  23          3HG       LYS  23  -6.230   0.549  -4.010
  177   1HD   LYS  23          2HD       LYS  23  -5.374   1.498  -6.202
  178   2HD   LYS  23          3HD       LYS  23  -5.790  -0.040  -6.958
  179   1HE   LYS  23          2HE       LYS  23  -7.664   1.922  -5.569
  180   2HE   LYS  23          3HE       LYS  23  -7.640   1.488  -7.287
  181   1HZ   LYS  23          2HZ       LYS  23  -8.232  -0.802  -6.561
  182   2HZ   LYS  23          3HZ       LYS  23  -8.420  -0.229  -5.031
  183   3HZ   LYS  23          1HZ       LYS  23  -9.406   0.326  -6.200
  184    H    PHE  24           HN       PHE  24  -1.654   0.117  -4.221
  185    HA   PHE  24           HA       PHE  24  -0.280  -2.249  -3.032
  186   1HB   PHE  24          2HB       PHE  24   1.009   0.438  -3.585
  187   2HB   PHE  24          3HB       PHE  24   1.784  -1.106  -3.229
  188    HD1  PHE  24          2HD       PHE  24   1.928  -2.885  -5.007
  189    HD2  PHE  24          1HD       PHE  24   0.118   0.952  -5.798
  190    HE1  PHE  24          2HE       PHE  24   1.962  -3.347  -7.448
  191    HE2  PHE  24          1HE       PHE  24   0.179   0.487  -8.228
  192    HZ   PHE  24           HZ       PHE  24   1.079  -1.659  -9.054
  193    H    TRP  25           HN       TRP  25   0.182  -2.033  -0.792
  194    HA   TRP  25           HA       TRP  25  -1.114   0.222   0.630
  195   1HB   TRP  25          2HB       TRP  25  -1.610  -2.681   1.352
  196   2HB   TRP  25          3HB       TRP  25  -2.419  -1.264   1.952
  197    HD1  TRP  25           HD1      TRP  25  -2.140  -3.189  -1.392
  198    HE1  TRP  25           HE1      TRP  25  -4.381  -3.078  -2.606
  199    HE3  TRP  25           HE3      TRP  25  -4.650  -0.259   1.859
  200    HZ2  TRP  25           HZ2      TRP  25  -7.069  -2.088  -2.075
  201    HZ3  TRP  25           HZ3      TRP  25  -7.120   0.189   1.569
  202    HH2  TRP  25           HH2      TRP  25  -8.309  -0.737  -0.396
  203    H    HIS  26           HN       HIS  26  -0.624  -0.143   3.044
  204    HA   HIS  26           HA       HIS  26   2.164  -1.149   3.443
  205   1HB   HIS  26          2HB       HIS  26   0.271   0.151   5.458
  206   2HB   HIS  26          3HB       HIS  26   1.959  -0.282   5.736
  207    HD2  HIS  26           HD2      HIS  26   3.705   0.832   3.836
  208    HE1  HIS  26           HE1      HIS  26   1.346   4.340   3.258
  209    HE2  HIS  26           HE2      HIS  26   3.647   3.285   2.826
  210    H    LYS  27           HN       LYS  27   2.488  -2.699   5.279
  211    HA   LYS  27           HA       LYS  27   1.031  -5.021   4.983
  212   1HB   LYS  27          2HB       LYS  27   2.976  -3.925   7.005
  213   2HB   LYS  27          3HB       LYS  27   2.116  -5.391   7.436
  214   1HG   LYS  27          2HG       LYS  27   3.508  -5.168   4.740
  215   2HG   LYS  27          3HG       LYS  27   4.410  -5.617   6.197
  216   1HD   LYS  27          2HD       LYS  27   3.156  -7.600   6.542
  217   2HD   LYS  27          3HD       LYS  27   1.854  -7.075   5.487
  218   1HE   LYS  27          2HE       LYS  27   2.994  -8.816   4.403
  219   2HE   LYS  27          3HE       LYS  27   3.309  -7.340   3.498
  220   1HZ   LYS  27          1HZ       LYS  27   5.298  -8.182   5.491
  221   2HZ   LYS  27          2HZ       LYS  27   5.147  -9.055   4.106
  222   3HZ   LYS  27          3HZ       LYS  27   5.530  -7.469   4.039
  223    H    ALA  28           HN       ALA  28   0.675  -2.776   7.849
  224    HA   ALA  28           HA       ALA  28  -1.669  -4.265   8.671
  225   1HB   ALA  28          3HB       ALA  28  -0.116  -3.107  10.235
  226   2HB   ALA  28          1HB       ALA  28  -0.754  -1.547   9.659
  227   3HB   ALA  28          2HB       ALA  28  -1.826  -2.709  10.462
  228    H    CYS  29           HN       CYS  29  -1.339  -1.982   6.173
  229    HA   CYS  29           HA       CYS  29  -4.064  -0.857   6.447
  230   1HB   CYS  29          2HB       CYS  29  -1.705  -0.316   4.599
  231   2HB   CYS  29          3HB       CYS  29  -3.283   0.351   4.347
  232    H    PHE  30           HN       PHE  30  -2.808  -3.704   5.307
  233    HA   PHE  30           HA       PHE  30  -3.265  -4.259   2.804
  234   1HB   PHE  30          2HB       PHE  30  -2.782  -5.931   4.564
  235   2HB   PHE  30          3HB       PHE  30  -4.472  -5.907   5.063
  236    HD1  PHE  30          2HD       PHE  30  -2.076  -6.986   2.468
  237    HD2  PHE  30          1HD       PHE  30  -6.214  -7.021   3.687
  238    HE1  PHE  30          2HE       PHE  30  -2.599  -8.625   0.669
  239    HE2  PHE  30          1HE       PHE  30  -6.720  -8.659   1.901
  240    HZ   PHE  30           HZ       PHE  30  -4.931  -9.439   0.375
   
  No H/Q in entry =         240
  Start of MODEL   20
    1   1H    ACE   0          1HC       ACE   0   4.945  12.528 -11.280
    2   2H    ACE   0          2HC       ACE   0   4.634  11.153 -12.356
    3   3H    ACE   0          3HC       ACE   0   3.320  12.276 -11.972
    4    H    MET   1           HN       MET   1   3.216  12.598  -9.432
    5    HA   MET   1           HA       MET   1   2.872  11.855  -7.345
    6   1HB   MET   1          2HB       MET   1   1.039  10.390  -7.130
    7   2HB   MET   1          3HB       MET   1   0.818  11.324  -8.594
    8   1HG   MET   1          2HG       MET   1   1.537   9.351  -9.937
    9   2HG   MET   1          3HG       MET   1   1.780   8.432  -8.450
   10   1HE   MET   1          1HE       MET   1  -0.549   9.734 -11.139
   11   2HE   MET   1          2HE       MET   1  -2.180   9.631 -10.448
   12   3HE   MET   1          3HE       MET   1  -1.053  10.870  -9.866
   13    H    ASN   2           HN       ASN   2   2.507   9.374  -6.174
   14    HA   ASN   2           HA       ASN   2   4.566   7.525  -6.974
   15   1HB   ASN   2          2HB       ASN   2   4.804   9.082  -4.432
   16   2HB   ASN   2          3HB       ASN   2   4.963   7.346  -4.259
   17   1HD2  ASN   2          2HD2      ASN   2   8.319   9.028  -4.947
   18   2HD2  ASN   2          1HD2      ASN   2   6.955   9.613  -4.018
   19    HA   PRO   3           HA       PRO   3   1.208   4.849  -5.763
   20   1HB   PRO   3          2HB       PRO   3   2.262   2.809  -4.220
   21   2HB   PRO   3          3HB       PRO   3   2.424   2.931  -5.998
   22   1HG   PRO   3          2HG       PRO   3   4.413   3.811  -3.885
   23   2HG   PRO   3          3HG       PRO   3   4.719   2.837  -5.363
   24   1HD   PRO   3          2HD       PRO   3   5.211   5.479  -5.350
   25   2HD   PRO   3          3HD       PRO   3   4.424   4.721  -6.765
   26    H    ASN   4           HN       ASN   4  -0.280   5.761  -4.413
   27    HA   ASN   4           HA       ASN   4   0.431   6.401  -1.587
   28   1HB   ASN   4          2HB       ASN   4  -2.043   6.988  -3.280
   29   2HB   ASN   4          3HB       ASN   4  -1.938   7.279  -1.555
   30   1HD2  ASN   4          2HD2      ASN   4   0.499   9.699  -3.905
   31   2HD2  ASN   4          1HD2      ASN   4   0.166   8.080  -4.435
   32    H    CYS   5           HN       CYS   5  -0.427   5.242   0.074
   33    HA   CYS   5           HA       CYS   5  -1.745   2.694  -0.211
   34   1HB   CYS   5          2HB       CYS   5  -0.269   3.336   1.634
   35   2HB   CYS   5          3HB       CYS   5  -1.336   4.673   2.076
   36    H    ALA   6           HN       ALA   6  -3.862   2.466  -0.671
   37    HA   ALA   6           HA       ALA   6  -5.720   4.719  -0.692
   38   1HB   ALA   6          3HB       ALA   6  -6.079   1.736  -1.180
   39   2HB   ALA   6          1HB       ALA   6  -7.376   2.939  -1.306
   40   3HB   ALA   6          2HB       ALA   6  -5.970   3.029  -2.385
   41    H    ARG   7           HN       ARG   7  -4.565   2.652   1.862
   42    HA   ARG   7           HA       ARG   7  -7.211   2.627   3.209
   43   1HB   ARG   7          2HB       ARG   7  -5.705   0.575   3.157
   44   2HB   ARG   7          3HB       ARG   7  -4.567   1.502   4.134
   45   1HG   ARG   7          2HG       ARG   7  -5.646   0.147   5.650
   46   2HG   ARG   7          3HG       ARG   7  -6.435   1.688   5.859
   47   1HD   ARG   7          2HD       ARG   7  -7.498  -0.615   4.152
   48   2HD   ARG   7          3HD       ARG   7  -7.919  -0.380   5.837
   49    HE   ARG   7           HE       ARG   7  -9.159   0.829   3.621
   50   1HH1  ARG   7          2HH2      ARG   7  -8.165   1.716   6.944
   51   2HH1  ARG   7          1HH2      ARG   7  -9.412   2.906   7.104
   52   1HH2  ARG   7          2HH1      ARG   7 -10.768   2.312   3.898
   53   2HH2  ARG   7          1HH1      ARG   7 -11.078   3.034   5.475
   54    H    CYS   8           HN       CYS   8  -3.871   3.926   3.709
   55    HA   CYS   8           HA       CYS   8  -4.936   5.437   6.049
   56   1HB   CYS   8          2HB       CYS   8  -2.709   5.675   6.741
   57   2HB   CYS   8          3HB       CYS   8  -2.942   3.972   6.321
   58    H    GLY   9           HN       GLY   9  -3.227   5.854   2.987
   59   1HA   GLY   9          1HA       GLY   9  -3.960   7.653   1.454
   60   2HA   GLY   9          2HA       GLY   9  -4.025   8.726   2.850
   61    H    LYS  10           HN       LYS  10  -1.288   6.822   3.421
   62    HA   LYS  10           HA       LYS  10   0.380   9.103   2.575
   63   1HB   LYS  10          2HB       LYS  10   1.086   6.692   4.280
   64   2HB   LYS  10          3HB       LYS  10   2.050   8.152   4.028
   65   1HG   LYS  10          2HG       LYS  10  -0.054   9.430   4.955
   66   2HG   LYS  10          3HG       LYS  10  -0.574   7.844   5.522
   67   1HD   LYS  10          2HD       LYS  10   0.574   8.640   7.373
   68   2HD   LYS  10          3HD       LYS  10   1.789   7.648   6.573
   69   1HE   LYS  10          2HE       LYS  10   2.947   9.616   7.143
   70   2HE   LYS  10          3HE       LYS  10   2.575   9.854   5.435
   71   1HZ   LYS  10          2HZ       LYS  10   1.012  10.947   7.701
   72   2HZ   LYS  10          3HZ       LYS  10   2.106  11.805   6.832
   73   3HZ   LYS  10          1HZ       LYS  10   0.751  11.296   6.101
   74    H    ILE  11           HN       ILE  11   2.460   8.756   1.526
   75    HA   ILE  11           HA       ILE  11   2.507   7.101  -0.740
   76    HB   ILE  11           HB       ILE  11   4.006   9.161   0.239
   77   1HG1  ILE  11          2HG1      ILE  11   4.987   8.657  -2.059
   78   2HG1  ILE  11          3HG1      ILE  11   3.952   7.310  -2.175
   79   1HG2  ILE  11          3HG2      ILE  11   5.628   7.686   1.359
   80   2HG2  ILE  11          1HG2      ILE  11   5.887   6.808  -0.174
   81   3HG2  ILE  11          2HG2      ILE  11   6.321   8.507  -0.046
   82   1HD1  ILE  11          3HD1      ILE  11   1.996   8.947  -1.735
   83   2HD1  ILE  11          1HD1      ILE  11   3.185  10.253  -1.835
   84   3HD1  ILE  11          2HD1      ILE  11   2.873   9.217  -3.243
   85    H    VAL  12           HN       VAL  12   3.545   5.170  -1.287
   86    HA   VAL  12           HA       VAL  12   4.530   3.428   0.913
   87    HB   VAL  12           HB       VAL  12   3.558   2.584  -1.844
   88   1HG1  VAL  12          2HG1      VAL  12   4.021   1.089   0.774
   89   2HG1  VAL  12          3HG1      VAL  12   3.222   0.408  -0.632
   90   3HG1  VAL  12          1HG1      VAL  12   4.914   0.897  -0.753
   91   1HG2  VAL  12          3HG2      VAL  12   1.591   3.609  -0.726
   92   2HG2  VAL  12          1HG2      VAL  12   1.422   1.871  -0.907
   93   3HG2  VAL  12          2HG2      VAL  12   1.840   2.543   0.672
   94    H    TYR  13           HN       TYR  13   6.548   2.226   0.394
   95    HA   TYR  13           HA       TYR  13   8.022   3.283  -1.986
   96   1HB   TYR  13          2HB       TYR  13   9.296   2.467   0.634
   97   2HB   TYR  13          3HB       TYR  13  10.086   3.194  -0.744
   98    HD1  TYR  13           HD1      TYR  13   9.118   5.616  -1.437
   99    HD2  TYR  13           HD2      TYR  13   8.866   3.823   2.482
  100    HE1  TYR  13           HE1      TYR  13   8.896   7.862  -0.431
  101    HE2  TYR  13           HE2      TYR  13   8.657   6.061   3.498
  102    HH   TYR  13           HH       TYR  13   8.663   8.315   3.145
  103    HA   PRO  14           HA       PRO  14   8.427  -1.080  -2.921
  104   1HB   PRO  14          2HB       PRO  14  10.811  -1.224  -4.273
  105   2HB   PRO  14          3HB       PRO  14   9.321  -0.522  -4.960
  106   1HG   PRO  14          2HG       PRO  14  11.633   0.941  -3.657
  107   2HG   PRO  14          3HG       PRO  14  10.795   1.334  -5.191
  108   1HD   PRO  14          2HD       PRO  14  10.194   2.595  -2.863
  109   2HD   PRO  14          3HD       PRO  14   8.919   2.201  -4.045
  110    H    THR  15           HN       THR  15   8.502  -2.011  -1.062
  111    HA   THR  15           HA       THR  15  10.462  -3.382   0.257
  112    HB   THR  15           HB       THR  15   9.954  -0.622   1.455
  113    HG1  THR  15          1HG       THR  15  11.756  -1.272  -0.040
  114   1HG2  THR  15          3HG2      THR  15  11.300  -2.987   2.831
  115   2HG2  THR  15          1HG2      THR  15  11.213  -1.318   3.441
  116   3HG2  THR  15          2HG2      THR  15   9.738  -2.277   3.293
  117    H    GLU  16           HN       GLU  16   7.485  -1.346   0.415
  118    HA   GLU  16           HA       GLU  16   6.088  -3.563   1.799
  119   1HB   GLU  16          2HB       GLU  16   7.033  -1.623   3.270
  120   2HB   GLU  16          3HB       GLU  16   5.742  -0.638   2.564
  121   1HG   GLU  16          2HG       GLU  16   4.111  -2.295   3.527
  122   2HG   GLU  16          3HG       GLU  16   5.441  -3.373   3.943
  123    H    LYS  17           HN       LYS  17   6.022  -2.671  -1.050
  124    HA   LYS  17           HA       LYS  17   3.381  -1.438  -1.483
  125   1HB   LYS  17          2HB       LYS  17   5.340  -2.833  -3.343
  126   2HB   LYS  17          3HB       LYS  17   3.821  -2.087  -3.863
  127   1HG   LYS  17          2HG       LYS  17   4.582   0.122  -3.301
  128   2HG   LYS  17          3HG       LYS  17   5.973  -0.512  -2.415
  129   1HD   LYS  17          2HD       LYS  17   6.780   0.336  -4.476
  130   2HD   LYS  17          3HD       LYS  17   6.920  -1.428  -4.509
  131   1HE   LYS  17          2HE       LYS  17   4.778  -1.506  -5.858
  132   2HE   LYS  17          3HE       LYS  17   4.794   0.262  -5.871
  133   1HZ   LYS  17          3HZ       LYS  17   7.015   0.095  -6.902
  134   2HZ   LYS  17          1HZ       LYS  17   6.802  -1.525  -7.113
  135   3HZ   LYS  17          2HZ       LYS  17   5.791  -0.430  -7.841
  136    H    VAL  18           HN       VAL  18   2.393  -2.898   0.078
  137    HA   VAL  18           HA       VAL  18   2.241  -5.643  -0.140
  138    HB   VAL  18           HB       VAL  18   0.338  -3.555   0.890
  139   1HG1  VAL  18          1HG1      VAL  18  -0.135  -6.545   1.189
  140   2HG1  VAL  18          2HG1      VAL  18  -0.991  -5.265   2.067
  141   3HG1  VAL  18          3HG1      VAL  18  -1.185  -5.409   0.321
  142   1HG2  VAL  18          2HG2      VAL  18   2.146  -5.619   2.185
  143   2HG2  VAL  18          3HG2      VAL  18   2.350  -3.851   2.179
  144   3HG2  VAL  18          1HG2      VAL  18   1.016  -4.606   3.082
  145    H    ASN  19           HN       ASN  19   1.055  -7.102  -1.179
  146    HA   ASN  19           HA       ASN  19   0.067  -6.315  -3.842
  147   1HB   ASN  19          2HB       ASN  19   1.744  -8.060  -3.860
  148   2HB   ASN  19          3HB       ASN  19   1.005  -8.874  -2.476
  149   1HD2  ASN  19          2HD2      ASN  19  -0.410  -9.791  -6.151
  150   2HD2  ASN  19          1HD2      ASN  19   0.759  -8.455  -5.991
  151    H    CYS  20           HN       CYS  20  -2.064  -6.180  -4.221
  152    HA   CYS  20           HA       CYS  20  -3.887  -8.201  -3.176
  153   1HB   CYS  20          2HB       CYS  20  -4.284  -5.199  -2.952
  154   2HB   CYS  20          3HB       CYS  20  -5.612  -6.354  -2.796
  155    HG   CYS  20           HG       CYS  20  -3.093  -7.264  -1.060
  156    H    LEU  21           HN       LEU  21  -6.062  -7.559  -4.369
  157    HA   LEU  21           HA       LEU  21  -6.091  -8.504  -6.787
  158   1HB   LEU  21          2HB       LEU  21  -7.848  -6.365  -5.594
  159   2HB   LEU  21          3HB       LEU  21  -8.163  -6.985  -7.202
  160    HG   LEU  21           HG       LEU  21  -9.012  -8.926  -6.517
  161   1HD1  LEU  21          2HD1      LEU  21  -7.231  -9.091  -4.057
  162   2HD1  LEU  21          3HD1      LEU  21  -8.423 -10.289  -4.571
  163   3HD1  LEU  21          1HD1      LEU  21  -7.019  -9.997  -5.573
  164   1HD2  LEU  21          2HD2      LEU  21 -10.235  -7.167  -5.237
  165   2HD2  LEU  21          3HD2      LEU  21 -10.279  -8.755  -4.457
  166   3HD2  LEU  21          1HD2      LEU  21  -9.190  -7.490  -3.833
  167    H    ASP  22           HN       ASP  22  -6.498  -4.921  -6.848
  168    HA   ASP  22           HA       ASP  22  -4.283  -4.761  -8.782
  169   1HB   ASP  22          2HB       ASP  22  -5.454  -3.781 -10.500
  170   2HB   ASP  22          3HB       ASP  22  -6.521  -5.083 -10.004
  171    H    LYS  23           HN       LYS  23  -4.785  -3.925  -5.942
  172    HA   LYS  23           HA       LYS  23  -3.808  -1.193  -6.267
  173   1HB   LYS  23          2HB       LYS  23  -5.039  -0.591  -4.048
  174   2HB   LYS  23          3HB       LYS  23  -5.770  -0.355  -5.587
  175   1HG   LYS  23          2HG       LYS  23  -6.337  -2.729  -3.747
  176   2HG   LYS  23          3HG       LYS  23  -7.265  -1.231  -3.789
  177   1HD   LYS  23          2HD       LYS  23  -7.391  -1.919  -6.422
  178   2HD   LYS  23          3HD       LYS  23  -7.258  -3.517  -5.692
  179   1HE   LYS  23          2HE       LYS  23  -9.539  -3.197  -5.884
  180   2HE   LYS  23          3HE       LYS  23  -9.213  -2.860  -4.175
  181   1HZ   LYS  23          3HZ       LYS  23  -9.490  -0.810  -6.293
  182   2HZ   LYS  23          1HZ       LYS  23 -10.681  -1.268  -5.258
  183   3HZ   LYS  23          2HZ       LYS  23  -9.347  -0.513  -4.663
  184    H    PHE  24           HN       PHE  24  -2.864  -0.443  -4.286
  185    HA   PHE  24           HA       PHE  24  -1.241  -2.604  -3.050
  186   1HB   PHE  24          2HB       PHE  24   0.718  -0.893  -3.402
  187   2HB   PHE  24          3HB       PHE  24   0.221  -1.980  -4.684
  188    HD1  PHE  24          2HD       PHE  24  -0.217   1.561  -3.470
  189    HD2  PHE  24          1HD       PHE  24  -0.520  -1.180  -6.800
  190    HE1  PHE  24          2HE       PHE  24  -0.658   3.451  -5.006
  191    HE2  PHE  24          1HE       PHE  24  -0.911   0.725  -8.326
  192    HZ   PHE  24           HZ       PHE  24  -0.958   3.052  -7.443
  193    H    TRP  25           HN       TRP  25  -0.280  -2.151  -1.056
  194    HA   TRP  25           HA       TRP  25  -1.547   0.052   0.489
  195   1HB   TRP  25          2HB       TRP  25  -1.591  -2.853   1.392
  196   2HB   TRP  25          3HB       TRP  25  -2.464  -1.489   2.040
  197    HD1  TRP  25           HD1      TRP  25  -2.511  -3.947  -0.906
  198    HE1  TRP  25           HE1      TRP  25  -4.838  -3.941  -1.953
  199    HE3  TRP  25           HE3      TRP  25  -4.424   0.011   1.523
  200    HZ2  TRP  25           HZ2      TRP  25  -7.369  -2.519  -1.591
  201    HZ3  TRP  25           HZ3      TRP  25  -6.863   0.725   1.167
  202    HH2  TRP  25           HH2      TRP  25  -8.292  -0.560  -0.382
  203    H    HIS  26           HN       HIS  26  -0.702  -1.015   2.969
  204    HA   HIS  26           HA       HIS  26   2.250  -1.213   2.923
  205   1HB   HIS  26          2HB       HIS  26   0.543   0.337   4.908
  206   2HB   HIS  26          3HB       HIS  26   2.218  -0.015   5.145
  207    HD2  HIS  26           HD2      HIS  26   3.970   1.108   3.254
  208    HE1  HIS  26           HE1      HIS  26   1.538   4.615   3.166
  209    HE2  HIS  26           HE2      HIS  26   3.831   3.692   2.625
  210    H    LYS  27           HN       LYS  27   2.902  -2.168   5.187
  211    HA   LYS  27           HA       LYS  27   1.870  -4.700   5.390
  212   1HB   LYS  27          2HB       LYS  27   3.895  -3.310   6.756
  213   2HB   LYS  27          3HB       LYS  27   2.799  -3.767   8.037
  214   1HG   LYS  27          2HG       LYS  27   4.271  -5.599   7.901
  215   2HG   LYS  27          3HG       LYS  27   2.842  -6.141   7.031
  216   1HD   LYS  27          2HD       LYS  27   4.305  -6.712   5.404
  217   2HD   LYS  27          3HD       LYS  27   4.269  -5.022   4.961
  218   1HE   LYS  27          2HE       LYS  27   6.354  -6.580   6.503
  219   2HE   LYS  27          3HE       LYS  27   6.566  -5.638   5.038
  220   1HZ   LYS  27          1HZ       LYS  27   6.273  -3.614   6.461
  221   2HZ   LYS  27          2HZ       LYS  27   6.245  -4.600   7.801
  222   3HZ   LYS  27          3HZ       LYS  27   7.554  -4.524   6.821
  223    H    ALA  28           HN       ALA  28   0.758  -2.038   7.604
  224    HA   ALA  28           HA       ALA  28  -1.252  -3.913   8.725
  225   1HB   ALA  28          2HB       ALA  28   0.130  -2.478  10.246
  226   2HB   ALA  28          3HB       ALA  28  -0.639  -1.042   9.537
  227   3HB   ALA  28          1HB       ALA  28  -1.621  -2.220  10.408
  228    H    CYS  29           HN       CYS  29  -1.094  -1.983   6.036
  229    HA   CYS  29           HA       CYS  29  -3.734  -0.696   6.289
  230   1HB   CYS  29          2HB       CYS  29  -1.395  -0.418   4.396
  231   2HB   CYS  29          3HB       CYS  29  -2.920   0.355   4.097
  232    H    PHE  30           HN       PHE  30  -2.685  -3.731   5.343
  233    HA   PHE  30           HA       PHE  30  -4.314  -4.123   2.993
  234   1HB   PHE  30          2HB       PHE  30  -2.587  -5.745   3.662
  235   2HB   PHE  30          3HB       PHE  30  -3.429  -6.032   5.181
  236    HD1  PHE  30          1HD       PHE  30  -5.213  -5.746   1.873
  237    HD2  PHE  30          2HD       PHE  30  -3.667  -8.415   4.903
  238    HE1  PHE  30          1HE       PHE  30  -6.438  -7.622   0.868
  239    HE2  PHE  30          2HE       PHE  30  -4.876 -10.287   3.851
  240    HZ   PHE  30           HZ       PHE  30  -6.268  -9.890   1.791
   
  No H/Q in entry =         240