*HEADER   BINDING PROTEIN                         16-OCT-97   1AXJ    
*TITLE    FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS             
*TITLE   2 (MIYAZAKI F), NMR, 20 STRUCTURES                           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FMN-BINDING PROTEIN;                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 BIOLOGICAL_UNIT: MONOMER                                   
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS;               
*SOURCE  3 STRAIN: MIYAZAKI F;                                        
*SOURCE  4 CELLULAR_LOCATION: CYTOPLASM;                              
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: JM109;                           
*SOURCE  7 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;            
*SOURCE  8 EXPRESSION_SYSTEM_PLASMID: PMKBT-100                       
*KEYWDS   FMN-BINDING PROTEIN, BINDING PROTEIN                        
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   E.LIEPINSH,G.OTTING                                         
*REVDAT  1   14-JAN-98 1AXJ    0                                      
 
HEADER    NMR DATA FOR FMN-BINDING PROTEIN        16-APRIL-1997                4
COMPND    FMN-BINDING PROTEIN                                                  5
SOURCE    DESULFOVIBRIO VULGARIS (MIYAZAKI F)                                  6
AUTHOR    E.LIEPINSH,G.OTTING                                                  7
JRNL        AUTH   E.LIEPINSH,M.KITAMURA,T.MURAKAMI,T.NAKAYA,G.OTTING           
JRNL        TITL   PATHWAY OF CHYMOTRYPSIN EVOLUTION SUGGESTED BY THE           
JRNL        TITL 2 STRUCTURE OF THE FMN-BINDING PROTEIN FROM                    
JRNL        TITL 3 DESULFOVIBRIO VULGARIS (MIYAZAKI F)                          
JRNL        REF    NAT.STRUCT.BIOL.              V.   4   975 1997              
REMARK   1                                                                    13
REMARK   1 THIS FILE CONTAINS THE CHEMICAL SHIFTS, COUPLING CONSTANTS,        14
REMARK   1 DISTANCE AND DIHEDRAL ANGLE CONSTRAINTS USED IN THE                15
REMARK   1 DETERMINATION OF THE NMR STRUCTURE OF THE FMN-BINDING              16
REMARK   1 PROTEIN. THE DATA WERE RECORDED AT PH 6.8, 36 DEGREES              17
REMARK   1 CENTIGRADE.                                                        18
REMARK   1                                                                    19
REMARK   1 RECORD CONTENT                                     UNIT            20
REMARK   1 ------ ------------------------------------------- ---------       21
REMARK   1 STEREO STEREO-SPECIFIC RESONANCE ASSIGNMENTS. THE                  22
REMARK   1        PART OF THE ATOM NAME COMMON TO THE STEREO-                 23
REMARK   1        SPECIFICALLY ASSIGNED ATOM PAIRS IS GIVEN,                  24
REMARK   1        E.G. HB FOR HB2 AND HB3.                                    25
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED ATOMS       PPM             26
REMARK   1 JCOUPL VICINAL SCALAR COUPLING CONSTANTS           HERTZ           27
REMARK   1        DETERMINED FOR 1H-1H COUPLINGS                              28
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS       29
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS                  30
REMARK   1        AND HYDROGEN BONDS                                          31
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES         32
REMARK   1        AN ALLOWED INTERVAL                                         33
REMARK   2                                                                    34
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE           35
REMARK   2 MASTER RECORD:                                                     36
REMARK   2                                                                    37
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                                   38
REMARK   2 ------ -----------------------------------------------------       39
REMARK   2 STEREO RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, ATOM NAME,         40
REMARK   2        ATOM NAME                                                   41
REMARK   2        ('STEREO',2X,A4,I4,3(1X,A3))                                42
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL           43
REMARK   2        SHIFT, ATOM NAME, CHEMICAL SHIFT, ATOM NAME, CHEMICAL       44
REMARK   2        SHIFT, ATOM NAME, CHEMICAL SHIFT                            45
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,1X,F6.2,3X),A4,1X,F6.2)          46
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM         47
REMARK   2        NAME, J-COUPLING CONSTANT, UNCERTAINTY OF J-COUPLING        48
REMARK   2        CONSTANT, FIRST AND SECOND ATOM NAME, J-COUPLING            49
REMARK   2        CONSTANT, UNCERTAINTY OF J-COUPLING CONSTANT                50
REMARK   2        ('JCOUPL',2X,A4,I4,2X,2(A4,1X,A4,2F6.2,3X))                 51
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM        52
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           53
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM          54
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,           55
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                      56
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))         57
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND         58
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND              59
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                        60
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF STEREO RECORDS,         61
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,         62
REMARK   2        NUMBER OF NOEUPP RECORDS, NUMBER OF ANGLE RECORDS           63
REMARK   2        ('MASTER',4X,6I5)                                           64
REMARK   3                                                                    65
REMARK   3 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE           66
REMARK   3 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                      67
REMARK   3 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)          68
REMARK   3 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL           69
REMARK   3 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR           70
REMARK   3 WHICH NO INDIVIDUAL ASSIGNMENTS HAD BEEN OBTAINED.                 71
REMARK   4                                                                    72
REMARK   4 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE               73
REMARK   4 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN               74
REMARK   4 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...               75
REMARK   4 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF          76
REMARK   4 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS        77
REMARK   4 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE            78
REMARK   4 HYDROGEN  ATOMS ARE ATTACHED. QQG AND QQD DENOTE THE PSEUDO-       79
REMARK   4 ATOMS FOR THE 6 HYDROGEN ATOMS OF THE ISOPROPYL METHYL             80
REMARK   4 GROUPS OF VAL AND LEU, RESPECTIVELY. QQH DENOTES THE               81
REMARK   4 PSEUDOATOM FOR THE 4 HYDROGEN ATOMS 1HH1, 2HH1, 1HH2 AND           82
REMARK   4 2HH2 OF ARG.                                                       83
REMARK   4 THE DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS OF           84
REMARK   4 TYR AND PHE ARE NAMED QD and QE, RESPECTIVELY, IF THEY ARE         85
REMARK   4 PAIRWISE DEGENERATE, E.G. BECAUSE OF RING ROTATION.                86
STEREO  MET    1                                                              87
STEREO  LEU    2 HB  QD  CD                                                   88
STEREO  PRO    3 HB  HG  HD                                                   89
STEREO  GLY    4 HA                                                           90
STEREO  THR    5                                                              91
STEREO  PHE    6 HB                                                           92
STEREO  PHE    7 HB                                                           93
STEREO  GLU    8 HB  HG                                                       94
STEREO  VAL    9 QG  CG                                                       95
STEREO  LEU   10 HB  QD  CD                                                   96
STEREO  LYS   11 HB  HG                                                       97
STEREO  ASN   12 HB  HD2                                                      98
STEREO  GLU   13 HB                                                           99
STEREO  VAL   15 QG  CG                                                      100
STEREO  VAL   16 QG  CG                                                      101
STEREO  ILE   18 HG1                                                         102
STEREO  GLN   21 HB  HE2                                                     103
STEREO  GLY   22 HA                                                          104
STEREO  GLU   23 HB  HG                                                      105
STEREO  ASP   24 HB                                                          106
STEREO  GLY   25 HA                                                          107
STEREO  PRO   26 HB  HG  HD                                                  108
STEREO  HIS   27 HB                                                          109
STEREO  LEU   28 HB  QD  CD                                                  110
STEREO  VAL   29 QG  CG                                                      111
STEREO  ASN   30 HB  HD2                                                     112
STEREO  TRP   32 HB                                                          113
STEREO  ASN   33 HB  HD2                                                     114
STEREO  SER   34 HB                                                          115
STEREO  TYR   35 HB                                                          116
STEREO  LEU   36 HB  QD  CD                                                  117
STEREO  LYS   37 HB  HG                                                      118
STEREO  VAL   38 CG                                                          119
STEREO  LEU   39 HB  QD  CD                                                  120
STEREO  ASP   40 HB                                                          121
STEREO  GLY   41 HA                                                          122
STEREO  ASN   42 HB  HD2                                                     123
STEREO  ARG   43 HB  HD                                                      124
STEREO  ILE   44 HG1                                                         125
STEREO  VAL   45 QG  CG                                                      126
STEREO  VAL   46 QG  CG                                                      127
STEREO  PRO   47 HB  HG  HD                                                  128
STEREO  VAL   48 CG                                                          129
STEREO  GLY   49 HA                                                          130
STEREO  GLY   50 HA                                                          131
STEREO  MET   51 HB  HG                                                      132
STEREO  HIS   52 HB                                                          133
STEREO  GLU   55 HB                                                          134
STEREO  ASN   57 HB  HD2                                                     135
STEREO  VAL   58 QG  CG                                                      136
STEREO  ASP   61 HB                                                          137
STEREO  GLU   62 HB                                                          138
STEREO  ARG   63 HB  HD                                                      139
STEREO  VAL   64 QG  CG                                                      140
STEREO  LEU   65 HB  QD  CD                                                  141
STEREO  MET   66 HB                                                          142
STEREO  LEU   68 HB  QD  CD                                                  143
STEREO  GLY   69 HA                                                          144
STEREO  SER   70 HB                                                          145
STEREO  ARG   71 HG                                                          146
STEREO  LYS   72 HB  HG                                                      147
STEREO  VAL   73 QG  CG                                                      148
STEREO  GLY   75 HA                                                          149
STEREO  ARG   76 HB                                                          150
STEREO  ASN   77 HB  HD2                                                     151
STEREO  GLY   78 HA                                                          152
STEREO  PRO   79 HB                                                          153
STEREO  GLY   80 HA                                                          154
STEREO  GLY   82 HA                                                          155
STEREO  PHE   83 HB                                                          156
STEREO  LEU   84 HB  QD  CD                                                  157
STEREO  ILE   85 HG1                                                         158
STEREO  ARG   86 HB  HG  HD                                                  159
STEREO  GLY   87 HA                                                          160
STEREO  PHE   91 HB                                                          161
STEREO  ARG   92 HB  HG                                                      162
STEREO  GLY   95 HA                                                          163
STEREO  PRO   96 HB  HD                                                      164
STEREO  GLU   97 HB  HG                                                      165
STEREO  PHE   98 HB                                                          166
STEREO  GLU   99 HG                                                          167
STEREO  ILE  101 HG1                                                         168
STEREO  ARG  103 HB  HG                                                      169
STEREO  PHE  104 HB                                                          170
STEREO  LYS  105 HB  HG                                                      171
STEREO  TRP  106 HB                                                          172
STEREO  ARG  108 HB  HG  HD                                                  173
STEREO  LEU  111 HB  QD  CD                                                  174
STEREO  VAL  112 CG                                                          175
STEREO  ILE  113 HG1                                                         176
STEREO  VAL  115 QG  CG                                                      177
STEREO  VAL  116 CG                                                          178
STEREO  GLU  119 HB  HG                                                      179
STEREO  GLN  120 HB  HG  HE2                                                 180
STEREO  LEU  122 HB  QD  CD                                                  181
SHIFTS  MET    1   CA   53.80    HA    3.84    CB   33.20    QB    2.02      182
SHIFTS  MET    1   CG   28.70    QG    2.53    CE   14.10    QE    2.09      183
SHIFTS  LEU    2   CA   48.70    HA    4.33    CB   38.30   1HB    0.52      184
SHIFTS  LEU    2  2HB    1.66    CG   23.40    HG    1.32    CD1  21.80      185
SHIFTS  LEU    2   QD1   0.20    CD2  19.00    QD2  -0.13                    186
SHIFTS  PRO    3   CA   59.20    HA    4.76    CB   29.90   1HB    2.31      187
SHIFTS  PRO    3  2HB    2.59    CG   24.90   1HG    1.95   2HG    2.41      188
SHIFTS  PRO    3   CD   46.90   1HD    3.01   2HD    3.94                    189
SHIFTS  GLY    4   CA   45.40   1HA    4.18   2HA    4.27                    190
SHIFTS  THR    5   CA   62.50    HA    4.10    CB   66.20    HB    4.24      191
SHIFTS  THR    5   CG2  20.40    QG2   1.50                                  192
SHIFTS  PHE    6   N   117.30    H     7.67    CA   58.70    HA    3.52      193
SHIFTS  PHE    6   CB   35.20   1HB    1.58   2HB    2.84    CD1 128.00      194
SHIFTS  PHE    6   CD2 128.00    QD    5.62    CE1 128.00    CE2 128.00      195
SHIFTS  PHE    6   QE    6.62    CZ  125.10    HZ    6.59                    196
SHIFTS  PHE    7   N   110.90    H     7.05    CA   58.80    HA    3.84      197
SHIFTS  PHE    7   CB   35.20   1HB    3.14   2HB    3.27    CD1 128.90      198
SHIFTS  PHE    7   CD2 128.90    QD    7.48    CE1 128.90    CE2 128.90      199
SHIFTS  PHE    7   QE    7.36    CZ  126.90    HZ    7.32                    200
SHIFTS  GLU    8   N   114.10    H     7.62    CA   53.70    HA    4.09      201
SHIFTS  GLU    8   CB   29.10   1HB    2.24   2HB    2.19    CG   33.50      202
SHIFTS  GLU    8  1HG    2.36   2HG    2.44                                  203
SHIFTS  VAL    9   N   115.40    H     7.80    CA   64.50    HA    3.40      204
SHIFTS  VAL    9   CB   27.50    HB    2.28    CG1  19.30    QG1   0.67      205
SHIFTS  VAL    9   CG2  21.50    QG2   1.11                                  206
SHIFTS  LEU   10   N   110.30    H     6.96    CA   54.00    HA    3.76      207
SHIFTS  LEU   10   CB   38.30   1HB    1.57   2HB    1.73    CG   23.40      208
SHIFTS  LEU   10   HG    1.34    CD1  22.60    QD1   0.55    CD2  20.80      209
SHIFTS  LEU   10   QD2   0.67                                                210
SHIFTS  LYS   11   N   110.90    H     6.99    CA   54.40    HA    4.20      211
SHIFTS  LYS   11   CB   30.10   1HB    1.90   2HB    2.03    CG   22.50      212
SHIFTS  LYS   11  1HG    1.76   2HG    1.51    CD   26.60    QD    1.73      213
SHIFTS  LYS   11   CE   39.10   1HE    2.92   2HE    3.01                    214
SHIFTS  ASN   12   N   114.10    H     8.03    CA   48.90    HA    4.96      215
SHIFTS  ASN   12   CB   40.10   1HB    2.71   2HB    2.90    ND2 110.90      216
SHIFTS  ASN   12  1HD2   7.27   2HD2   6.70                                  217
SHIFTS  GLU   13   N   117.30    H     8.68    CA   52.20    HA    5.26      218
SHIFTS  GLU   13   CB   27.00   1HB    2.17   2HB    2.12    CG   33.50      219
SHIFTS  GLU   13   QG    2.64                                                220
SHIFTS  GLY   14   N   109.60    H     9.99    CA   43.70   1HA    4.56      221
SHIFTS  GLY   14  2HA    4.62                                                222
SHIFTS  VAL   15   N   116.70    H     9.04    CA   60.10    HA    4.11      223
SHIFTS  VAL   15   CB   29.40    HB    2.08    CG1  20.00    QG1   0.49      224
SHIFTS  VAL   15   CG2  18.40    QG2   0.76                                  225
SHIFTS  VAL   16   N   129.50    H     8.78    CA   57.70    HA    4.36      226
SHIFTS  VAL   16   CB   30.50    HB    1.38    CG1  18.60    QG1   0.78      227
SHIFTS  VAL   16   CG2  19.10    QG2   1.04                                  228
SHIFTS  ALA   17   N   125.70    H     8.41    CA   47.20    HA    5.04      229
SHIFTS  ALA   17   CB   20.00    QB    0.96                                  230
SHIFTS  ILE   18   N   116.70    H     8.82    CA   57.50    HA    4.67      231
SHIFTS  ILE   18   CB   37.80    HB    1.27    CG2  13.50    QG2   0.51      232
SHIFTS  ILE   18   CG1  25.00   1HG1   1.15   2HG1   1.29    CD1  11.40      233
SHIFTS  ILE   18   QD1   0.41                                                234
SHIFTS  ALA   19   N   125.70    H     9.57    CA   46.80    HA    5.82      235
SHIFTS  ALA   19   CB   18.90    QB    1.23                                  236
SHIFTS  THR   20   N   103.80    H     8.36    CA   56.00    HA    4.44      237
SHIFTS  THR   20   CB   71.00    HB    4.66    CG2  20.40    QG2   1.27      238
SHIFTS  THR   20   HG1   5.60                                                239
SHIFTS  GLN   21   N   116.00    H     9.57    CA   51.90    HA    4.34      240
SHIFTS  GLN   21   CB   27.90   1HB    1.89   2HB    2.26    CG   30.80      241
SHIFTS  GLN   21  1HG    2.37   2HG    2.87    NE2 109.00   1HE2   7.53      242
SHIFTS  GLN   21  2HE2   8.00                                                243
SHIFTS  GLY   22   N   110.90    H     7.79    CA   41.00   1HA    4.60      244
SHIFTS  GLY   22  2HA    4.02                                                245
SHIFTS  GLU   23   N   115.40    H     8.97    CA   55.90    HA    4.05      246
SHIFTS  GLU   23   CB   29.10   1HB    1.96   2HB    2.00    CG   32.80      247
SHIFTS  GLU   23  1HG    2.28   2HG    2.24                                  248
SHIFTS  ASP   24   N   110.90    H     8.70    CA   51.20    HA    4.73      249
SHIFTS  ASP   24   CB   38.90   1HB    2.74   2HB    2.60                    250
SHIFTS  GLY   25   N   103.20    H     7.25    CA   41.10   1HA    4.16      251
SHIFTS  GLY   25  2HA    4.50                                                252
SHIFTS  PRO   26   CA   59.40    HA    5.03    CB   30.00   1HB    1.59      253
SHIFTS  PRO   26  2HB    2.09    CG   23.90   1HG    1.69   2HG    1.55      254
SHIFTS  PRO   26   CD   46.70   1HD    3.41   2HD    3.91                    255
SHIFTS  HIS   27   N   114.80    H     8.86    CA   52.40    HA    4.94      256
SHIFTS  HIS   27   CB   31.00   1HB    2.79   2HB    2.63    CD2 114.90      257
SHIFTS  HIS   27   HD2   6.70    CE1 135.80    HE1   8.53                    258
SHIFTS  LEU   28   N   121.80    H     6.00    CA   50.60    HA    4.97      259
SHIFTS  LEU   28   CB   44.90   1HB    0.77   2HB    1.41    CG   23.60      260
SHIFTS  LEU   28   HG    1.17    CD1  22.50    QD1   0.65    CD2  24.00      261
SHIFTS  LEU   28   QD2   0.57                                                262
SHIFTS  VAL   29   N   110.30    H     8.11    CA   56.10    HA    4.40      263
SHIFTS  VAL   29   CB   32.80    HB    2.05    CG1  20.30    QG1   0.93      264
SHIFTS  VAL   29   CG2  14.30    QG2   0.60                                  265
SHIFTS  ASN   30   N   109.60    H     8.39    CA   48.60    HA    5.38      266
SHIFTS  ASN   30   CB   41.00   1HB   -0.17   2HB    1.54    ND2 100.00      267
SHIFTS  ASN   30  1HD2   6.88   2HD2   6.42                                  268
SHIFTS  THR   31   N   102.60    H     6.89    CA   56.60    HA    4.47      269
SHIFTS  THR   31   CB   66.50    HB    3.62    CG2  15.30    QG2   0.92      270
SHIFTS  THR   31   HG1   5.40                                                271
SHIFTS  TRP   32   N   118.00    H     8.36    CA   51.60    HA    6.03      272
SHIFTS  TRP   32   CB   28.90   1HB    2.04   2HB    4.10    CD1 125.70      273
SHIFTS  TRP   32   HD1   6.25    NE1 122.60    HE1   9.18    CE3 119.20      274
SHIFTS  TRP   32   HE3   7.91    CZ2 111.00    HZ2   6.86    CZ3 119.20      275
SHIFTS  TRP   32   HZ3   7.05    CH2 119.40    HH2   6.73                    276
SHIFTS  ASN   33   N   121.20    H     9.91    CA   54.10    HA    3.97      277
SHIFTS  ASN   33   CB   35.20   1HB    3.54   2HB    2.86    ND2  98.10      278
SHIFTS  ASN   33  1HD2   7.25   2HD2   5.65                                  279
SHIFTS  SER   34   N   106.40    H     9.20    CA   72.80    HA    4.40      280
SHIFTS  SER   34   CB   56.00   1HB    4.18   2HB    4.00    HG    6.25      281
SHIFTS  TYR   35   N   118.00    H     8.35    CA   53.00    HA    5.09      282
SHIFTS  TYR   35   CB   34.40   1HB    3.92   2HB    3.25    CD1 127.90      283
SHIFTS  TYR   35   CD2 127.90    QD    7.54    CE1 116.00    CE2 116.00      284
SHIFTS  TYR   35   QE    7.10                                                285
SHIFTS  LEU   36   N   111.60    H     7.25    CA   53.00    HA    4.58      286
SHIFTS  LEU   36   CB   40.10   1HB    2.06   2HB    1.17    CG   23.40      287
SHIFTS  LEU   36   HG    2.13    CD1  23.70    QD1   0.87    CD2  22.40      288
SHIFTS  LEU   36   QD2   0.80                                                289
SHIFTS  LYS   37   N   116.70    H     8.23    CA   50.90    HA    4.81      290
SHIFTS  LYS   37   CB   32.30   1HB    1.78   2HB    1.71    CG   21.60      291
SHIFTS  LYS   37  1HG    1.40   2HG    1.44    QG    1.44    CD   25.70      292
SHIFTS  LYS   37   QD    1.75    CE   39.10    QE    3.06                    293
SHIFTS  VAL   38   N   120.50    H     8.79    CA   58.60    HA    4.91      294
SHIFTS  VAL   38   CB   29.30    HB    2.22    CG1  18.30    CG2  18.60      295
SHIFTS  VAL   38   QQG   0.97                                                296
SHIFTS  LEU   39   N   124.40    H     9.26    CA   50.40    HA    4.74      297
SHIFTS  LEU   39   CB   41.30   1HB    1.50   2HB    1.65    CG   24.90      298
SHIFTS  LEU   39   HG    1.55    CD1  22.90    QD1   0.76    CD2  20.20      299
SHIFTS  LEU   39   QD2   0.81                                                300
SHIFTS  ASP   40   N   112.80    H     8.52    CA   50.50    HA    4.41      301
SHIFTS  ASP   40   CB   35.90   1HB    2.87   2HB    2.77                    302
SHIFTS  GLY   41   N   102.50    H     8.55    CA   43.30   1HA    3.70      303
SHIFTS  GLY   41  2HA    4.15                                                304
SHIFTS  ASN   42   N   110.90    H     8.29    CA   50.50    HA    4.45      305
SHIFTS  ASN   42   CB   36.00   1HB    3.14   2HB    2.67    ND2 106.40      306
SHIFTS  ASN   42  1HD2   7.41   2HD2   6.77                                  307
SHIFTS  ARG   43   N   111.60    H     7.56    CA   51.80    HA    5.38      308
SHIFTS  ARG   43   CB   30.10   1HB    1.26   2HB    1.82    CG   24.30      309
SHIFTS  ARG   43   QG    1.66    CD   41.00   1HD    3.26   2HD    2.95      310
SHIFTS  ARG   43   NE   79.70    HE    7.02                                  311
SHIFTS  ILE   44   N   118.60    H     9.20    CA   57.30    HA    4.66      312
SHIFTS  ILE   44   CB   30.80    HB    1.57    CG2  15.90    QG2   0.82      313
SHIFTS  ILE   44   CG1  25.00   1HG1   0.86   2HG1   1.51    CD1  11.90      314
SHIFTS  ILE   44   QD1   0.67                                                315
SHIFTS  VAL   45   N   122.50    H     9.41    CA   58.40    HA    5.02      316
SHIFTS  VAL   45   CB   30.80    HB    1.87    CG1  20.70    QG1   0.91      317
SHIFTS  VAL   45   CG2  19.20    QG2   0.85                                  318
SHIFTS  VAL   46   N   121.20    H     8.96    CA   54.80    HA    4.67      319
SHIFTS  VAL   46   CB   33.00    HB    2.06    CG1  17.10    QG1   0.90      320
SHIFTS  VAL   46   CG2  18.70    QG2   0.76                                  321
SHIFTS  PRO   47   CA   60.10    HA    4.49    CB   29.00   1HB    1.56      322
SHIFTS  PRO   47  2HB    1.61    CG   24.80   1HG    1.32   2HG    2.73      323
SHIFTS  PRO   47   CD   47.40   1HD    3.85   2HD    4.03                    324
SHIFTS  VAL   48   N   119.30    H     8.18    CA   59.80    HA    4.34      325
SHIFTS  VAL   48   CB   30.10    HB    2.06    CG1  19.20    CG2  19.50      326
SHIFTS  VAL   48   QQG   0.97                                                327
SHIFTS  GLY   49   N   114.80    H     9.93    CA   43.40   1HA    4.95      328
SHIFTS  GLY   49  2HA    4.14                                                329
SHIFTS  GLY   50   N   107.10    H     8.09    CA   42.70   1HA    3.92      330
SHIFTS  GLY   50  2HA    4.36                                                331
SHIFTS  MET   51   N   122.50    H     9.65    CA   54.50    HA    5.32      332
SHIFTS  MET   51   CB   27.50   1HB    2.31   2HB    2.51    CG   31.80      333
SHIFTS  MET   51  1HG    2.93   2HG    2.03    CE   15.00    QE    1.63      334
SHIFTS  HIS   52   N   115.40    H     8.91    CA   57.80    HA    4.21      335
SHIFTS  HIS   52   CB   28.10   1HB    3.05   2HB    3.13    CD2 115.20      336
SHIFTS  HIS   52   HD2   7.32    CE1 134.80    HE1   8.11                    337
SHIFTS  LYS   53   N   124.40    H    10.16    CA   56.90    HA    3.98      338
SHIFTS  LYS   53   CB   25.50   1HB    1.78   2HB    2.14    QB    1.78      339
SHIFTS  LYS   53   CG   22.30   1HG    0.79   2HG    0.91    CD   27.80      340
SHIFTS  LYS   53  1HD    1.26   2HD    1.30    QD    1.26    CE   38.70      341
SHIFTS  LYS   53   QE    2.75                                                342
SHIFTS  THR   54   N   114.80    H     9.86    CA   65.70    HA    3.63      343
SHIFTS  THR   54   CB   65.70    HB    3.85    CG2  16.30    QG2   1.20      344
SHIFTS  THR   54   HG1   5.60                                                345
SHIFTS  GLU   55   N   117.30    H     7.63    CA   57.00    HA    3.29      346
SHIFTS  GLU   55   CB   31.00   1HB    1.28   2HB    1.65    CG   30.00      347
SHIFTS  GLU   55  1HG    0.83   2HG    2.21    QG    0.84                    348
SHIFTS  ALA   56   N   117.30    H     7.34    CA   51.30    HA    4.06      349
SHIFTS  ALA   56   CB   15.50    QB    1.47                                  350
SHIFTS  ASN   57   N   114.80    H     8.35    CA   54.30    HA    4.53      351
SHIFTS  ASN   57   CB   33.70   1HB    3.14   2HB    2.86    ND2 100.60      352
SHIFTS  ASN   57  1HD2   7.32   2HD2   6.35                                  353
SHIFTS  VAL   58   N   117.30    H     8.50    CA   61.10    HA    4.33      354
SHIFTS  VAL   58   CB   29.10    HB    2.21    CG1  19.60    QG1   1.03      355
SHIFTS  VAL   58   CG2  21.60    QG2   1.09                                  356
SHIFTS  ALA   59   N   116.70    H     7.59    CA   51.30    HA    4.17      357
SHIFTS  ALA   59   CB   15.10    QB    1.53                                  358
SHIFTS  ARG   60   N   110.90    H     7.27    CA   54.00    HA    4.39      359
SHIFTS  ARG   60   CB   28.50    QB    1.99    CG   24.60   1HG    1.70      360
SHIFTS  ARG   60  2HG    1.84    CD   40.20    QD    3.31    NE   80.40      361
SHIFTS  ARG   60   HE    7.34                                                362
SHIFTS  ASP   61   N   116.00    H     8.40    CA   54.50    HA    4.61      363
SHIFTS  ASP   61   CB   39.10   1HB    2.56   2HB    3.05                    364
SHIFTS  GLU   62   N   118.00    H     8.75    CA   54.20    HA    4.59      365
SHIFTS  GLU   62   CB   32.10   1HB    2.70   2HB    2.30    CG   38.20      366
SHIFTS  GLU   62   QG    2.47                                                367
SHIFTS  ARG   63   N   116.70    H     7.99    CA   56.20    HA    4.54      368
SHIFTS  ARG   63   CB   27.40   1HB    2.15   2HB    1.87    CG   25.00      369
SHIFTS  ARG   63  1HG    1.83   2HG    1.87    CD   40.30   1HD    3.40      370
SHIFTS  ARG   63  2HD    3.16    NE   81.00    HE    8.56                    371
SHIFTS  VAL   64   N   110.90    H     8.48    CA   55.80    HA    5.14      372
SHIFTS  VAL   64   CB   30.00    HB    1.96    CG1  19.70    QG1   0.75      373
SHIFTS  VAL   64   CG2  17.00    QG2   0.57                                  374
SHIFTS  LEU   65   N   116.70    H     7.97    CA   50.60    HA    5.48      375
SHIFTS  LEU   65   CB   43.50   1HB    1.53   2HB    1.38    CG   25.70      376
SHIFTS  LEU   65   HG    1.72    CD1  23.10    QD1   0.87    CD2  23.00      377
SHIFTS  LEU   65   QD2   1.04                                                378
SHIFTS  MET   66   N   116.70    H     9.34    CA   50.40    HA    5.86      379
SHIFTS  MET   66   CB   35.30   1HB    1.73   2HB    1.76    CG   29.00      380
SHIFTS  MET   66  1HG    2.03   2HG    2.27    CE   14.60    QE    1.72      381
SHIFTS  THR   67   N   109.00    H     8.70    CA   56.00    HA    5.96      382
SHIFTS  THR   67   CB   70.50    HB    4.31    CG2  24.40    QG2   0.96      383
SHIFTS  THR   67   HG1   3.01                                                384
SHIFTS  LEU   68   N   111.60    H     7.96    CA   52.00    HA    4.86      385
SHIFTS  LEU   68   CB   41.10   1HB    1.83   2HB    1.97    CG   24.40      386
SHIFTS  LEU   68   HG    1.58    CD1  24.00    QD1   0.55    CD2  23.70      387
SHIFTS  LEU   68   QD2   0.92                                                388
SHIFTS  GLY   69   N   101.90    H    10.00    CA   44.70   1HA    4.25      389
SHIFTS  GLY   69  2HA    4.50                                                390
SHIFTS  SER   70   N   104.50    H     8.63    CA   55.80    HA    4.98      391
SHIFTS  SER   70   CB   62.60   1HB    4.34   2HB    3.34                    392
SHIFTS  ARG   71   N   110.30    H     8.10    CA   57.90    HA    4.16      393
SHIFTS  ARG   71   CB   25.90   1HB    1.41   2HB    1.44    CG   24.80      394
SHIFTS  ARG   71  1HG    1.71   2HG    1.62    CD   38.90   1HD    3.11      395
SHIFTS  ARG   71  2HD    3.21    QD    2.28    NE   80.40    HE    7.36      396
SHIFTS  LYS   72   N   110.30    H     8.12    CA   53.20    HA    4.16      397
SHIFTS  LYS   72   CB   30.00   1HB    1.61   2HB    2.02    CG   22.20      398
SHIFTS  LYS   72  1HG    1.40   2HG    1.52    CD   25.70    QD    1.74      399
SHIFTS  LYS   72   CE   39.00    QE    3.08                                  400
SHIFTS  VAL   73   N   114.80    H     6.72    CA   57.80    HA    4.10      401
SHIFTS  VAL   73   CB   31.50    HB    1.64    CG1  20.40    QG1   1.09      402
SHIFTS  VAL   73   CG2  18.90    QG2   0.81                                  403
SHIFTS  ALA   74   N   125.00    H     8.49    CA   51.10    HA    4.01      404
SHIFTS  ALA   74   CB   16.10    QB    1.39                                  405
SHIFTS  GLY   75   N   106.40    H     7.93    CA   40.90   1HA    4.44      406
SHIFTS  GLY   75  2HA    4.10                                                407
SHIFTS  ARG   76   N   118.00    H     9.82    CA   56.10    HA    4.08      408
SHIFTS  ARG   76   CB   27.40   1HB    1.72   2HB    1.76    CG   24.90      409
SHIFTS  ARG   76  1HG    1.59   2HG    1.63    CD   40.40    QD    3.14      410
SHIFTS  ARG   76   NE   80.60    HE    7.16                                  411
SHIFTS  ASN   77   N   110.90    H     8.66    CA   49.30    HA    4.98      412
SHIFTS  ASN   77   CB   36.90   1HB    2.82   2HB    2.45    ND2 108.30      413
SHIFTS  ASN   77  1HD2   7.53   2HD2   6.74                                  414
SHIFTS  GLY   78   N   104.50    H     7.64    CA   41.60   1HA    3.86      415
SHIFTS  GLY   78  2HA    4.40                                                416
SHIFTS  PRO   79   CA   61.60    HA    4.07    CB   29.00   1HB    1.87      417
SHIFTS  PRO   79  2HB    2.27    CG   24.40   1HG    1.98   2HG    2.12      418
SHIFTS  PRO   79   CD   46.70    QD    3.62                                  419
SHIFTS  GLY   80   N   111.60    H     8.10    CA   42.30   1HA    4.40      420
SHIFTS  GLY   80  2HA    4.05                                                421
SHIFTS  THR   81   N   111.60    H     8.15    CA   57.10    HA    4.57      422
SHIFTS  THR   81   CB   66.60    HB    3.74    CG2  18.10    QG2   0.76      423
SHIFTS  THR   81   HG1   6.09                                                424
SHIFTS  GLY   82   N   103.20    H     7.81    CA   43.90   1HA    4.20      425
SHIFTS  GLY   82  2HA    4.41                                                426
SHIFTS  PHE   83   N   108.30    H     8.52    CA   53.90    HA    5.69      427
SHIFTS  PHE   83   CB   42.60   1HB    2.71   2HB    2.87    CD1 128.00      428
SHIFTS  PHE   83   CD2 128.00    QD    6.96    QE    7.20    HZ    7.26      429
SHIFTS  LEU   84   N   115.40    H     8.95    CA   47.20    HA    5.16      430
SHIFTS  LEU   84   CB   40.90   1HB    1.87   2HB    1.81    CG   25.70      431
SHIFTS  LEU   84   HG    1.38    CD1  20.60    QD1   0.93    CD2  22.60      432
SHIFTS  LEU   84   QD2   0.97                                                433
SHIFTS  ILE   85   N   126.30    H    10.04    CA   55.70    HA    4.95      434
SHIFTS  ILE   85   CB   37.30    HB    1.87    CG2  15.30    QG2   0.77      435
SHIFTS  ILE   85   CG1  25.80   1HG1   1.21   2HG1   1.36    CD1  10.60      436
SHIFTS  ILE   85   QD1   0.66                                                437
SHIFTS  ARG   86   N   120.50    H     8.60    CA   51.50    HA    5.16      438
SHIFTS  ARG   86   CB   29.10   1HB    1.79   2HB    1.94    CG   25.50      439
SHIFTS  ARG   86  1HG    1.58   2HG    1.73    CD   40.30   1HD    3.11      440
SHIFTS  ARG   86  2HD    3.20    NE   80.40    HE    7.36                    441
SHIFTS  GLY   87   N   104.50    H     8.37    CA   43.10   1HA    4.66      442
SHIFTS  GLY   87  2HA    4.03                                                443
SHIFTS  SER   88   N   111.60    H     8.44    CA   53.30    HA    5.28      444
SHIFTS  SER   88   CB   62.10    QB    3.77                                  445
SHIFTS  ALA   89   N   121.80    H     9.45    CA   47.30    HA    5.53      446
SHIFTS  ALA   89   CB   21.50    QB    1.22                                  447
SHIFTS  ALA   90   N   115.40    H     8.32    CA   48.60    HA    4.59      448
SHIFTS  ALA   90   CB   19.70    QB    1.37                                  449
SHIFTS  PHE   91   N   117.30    H     9.15    CA   54.30    HA    5.28      450
SHIFTS  PHE   91   CB   37.80   1HB    3.16   2HB    2.68    CD1 128.00      451
SHIFTS  PHE   91   CD2 128.00    QD    7.08    QE    6.98    HZ    7.11      452
SHIFTS  ARG   92   N   116.70    H     9.43    CA   50.50    HA    5.11      453
SHIFTS  ARG   92   CB   27.40   1HB    1.77   2HB    2.31    CG   23.90      454
SHIFTS  ARG   92  1HG    1.48   2HG    1.79    CD   39.60   1HD    3.33      455
SHIFTS  ARG   92  2HD    3.40    NE   80.40    HE    7.37                    456
SHIFTS  THR   93   N   106.40    H     8.98    CA   57.80    HA    4.09      457
SHIFTS  THR   93   CB   65.80    HB    4.37    CG2  18.60    QG2   1.27      458
SHIFTS  ASP   94   N   113.50    H     7.66    CA   50.20    HA    4.51      459
SHIFTS  ASP   94   CB   40.20    QB    2.76                                  460
SHIFTS  GLY   95   N   101.30    H     8.63    CA   42.10   1HA    4.63      461
SHIFTS  GLY   95  2HA    4.01                                                462
SHIFTS  PRO   96   CA   62.00    HA    4.29    CB   29.90   1HB    1.84      463
SHIFTS  PRO   96  2HB    2.39    CG   34.20   1HG    1.98   2HG    2.09      464
SHIFTS  PRO   96   QG    2.09    CD   47.70   1HD    3.88   2HD    3.66      465
SHIFTS  GLU   97   N   112.80    H     9.44    CA   57.90    HA    3.74      466
SHIFTS  GLU   97   CB   25.00   1HB    1.99   2HB    1.63    CG   34.20      467
SHIFTS  GLU   97  1HG    2.35   2HG    2.29                                  468
SHIFTS  PHE   98   N   111.60    H     7.23    CA   57.90    HA    3.97      469
SHIFTS  PHE   98   CB   36.30   1HB    2.58   2HB    2.74    CD1 128.00      470
SHIFTS  PHE   98   CD2 128.00    QD    7.00    QE    6.98    HZ    7.18      471
SHIFTS  GLU   99   N   112.80    H     8.28    CA   56.00    HA    3.73      472
SHIFTS  GLU   99   CB   26.20    QB    2.00    CG   33.40   1HG    2.42      473
SHIFTS  GLU   99  2HG    2.30                                                474
SHIFTS  ALA  100   N   112.80    H     7.43    CA   51.70    HA    4.13      475
SHIFTS  ALA  100   CB   14.60    QB    1.49                                  476
SHIFTS  ILE  101   N   102.60    H     7.20    CA   55.80    HA    4.52      477
SHIFTS  ILE  101   CB   36.50    HB    2.39    CG2  18.60    QG2   0.78      478
SHIFTS  ILE  101   CG1  24.70   1HG1   0.97   2HG1   1.30    CD1  12.50      479
SHIFTS  ILE  101   QD1   0.44                                                480
SHIFTS  ALA  102   N   117.30    H     6.94    CA   51.30    HA    3.57      481
SHIFTS  ALA  102   CB   15.30    QB    1.14                                  482
SHIFTS  ARG  103   N   109.60    H     7.58    CA   54.00    HA    3.90      483
SHIFTS  ARG  103   CB   25.50   1HB    1.38   2HB    1.49    CG   22.80      484
SHIFTS  ARG  103  1HG    1.01   2HG    0.50    CD   40.20    QD    2.81      485
SHIFTS  PHE  104   N   116.00    H     7.64    CA   53.00    HA    4.26      486
SHIFTS  PHE  104   CB   34.40   1HB    2.34   2HB    0.85    CD1 128.00      487
SHIFTS  PHE  104   CD2 128.00    QD    7.12    CE1 125.60    CE2 125.60      488
SHIFTS  PHE  104   QE    6.98    CZ  126.90    HZ    7.25                    489
SHIFTS  LYS  105   N   120.50    H     8.54    CA   55.50    HA    4.01      490
SHIFTS  LYS  105   CB   28.50   1HB    1.97   2HB    1.90    CG   21.90      491
SHIFTS  LYS  105  1HG    1.54   2HG    1.61    CD   25.30    QD    1.75      492
SHIFTS  LYS  105   CE   38.90    QE    3.07                                  493
SHIFTS  TRP  106   N   107.00    H     6.76    CA   52.80    HA    4.60      494
SHIFTS  TRP  106   CB   26.50   1HB    3.72   2HB    3.20    CD1 126.40      495
SHIFTS  TRP  106   HD1   7.56    CE3 118.00    HE3   7.25    NE1 125.60      496
SHIFTS  TRP  106   HE1  10.67    CZ3 118.00    HZ3   6.91    CZ2 112.60      497
SHIFTS  TRP  106   HZ2   6.96    CH2 121.00    HH2   7.13                    498
SHIFTS  ALA  107   N   120.50    H     7.24    CA   50.00    HA    4.50      499
SHIFTS  ALA  107   CB   15.20    QB    1.03                                  500
SHIFTS  ARG  108   N   116.70    H     9.64    CA   51.70    HA    4.81      501
SHIFTS  ARG  108   CB   25.50   1HB    2.20   2HB    1.85    CG   22.80      502
SHIFTS  ARG  108  1HG    2.00   2HG    1.31    CD   40.70   1HD    3.46      503
SHIFTS  ARG  108  2HD    3.29    HE    6.62                                  504
SHIFTS  ALA  109   N   116.00    H     8.23    CA   48.60    HA    4.69      505
SHIFTS  ALA  109   CB   18.30    QB    1.38                                  506
SHIFTS  ALA  110   N   116.00    H     9.32    CA   47.40    HA    4.93      507
SHIFTS  ALA  110   CB   18.40    QB    1.14                                  508
SHIFTS  LEU  111   N   122.50    H     8.85    CA   50.60    HA    4.29      509
SHIFTS  LEU  111   CB   38.30   1HB    0.61   2HB    1.45    CG   23.30      510
SHIFTS  LEU  111   HG    1.05    CD1  20.80    QD1   0.21    CD2  23.30      511
SHIFTS  LEU  111   QD2   0.50                                                512
SHIFTS  VAL  112   N   122.50    H     9.15    CA   58.10    HA    4.60      513
SHIFTS  VAL  112   CB   29.70    HB    2.03    CG1  17.90    QG1   0.79      514
SHIFTS  VAL  112   CG2  17.90    QG2   0.77                                  515
SHIFTS  ILE  113   N   126.30    H     9.90    CA   57.00    HA    4.66      516
SHIFTS  ILE  113   CB   37.00    HB    1.73    CG2  13.60    QG2   0.47      517
SHIFTS  ILE  113   CG1  25.00   1HG1   0.74   2HG1   1.37    CD1  11.60      518
SHIFTS  ILE  113   QD1   0.61                                                519
SHIFTS  THR  114   N   121.80    H     9.37    CA   60.20    HA    4.47      520
SHIFTS  THR  114   CB   65.50    HB    4.11    CG2  17.80    QG2   1.13      521
SHIFTS  THR  114   HG1   5.80                                                522
SHIFTS  VAL  115   N   123.70    H     8.58    CA   62.30    HA    3.47      523
SHIFTS  VAL  115   CB   29.70    HB    2.00    CG1  18.60    QG1   0.75      524
SHIFTS  VAL  115   CG2  19.20    QG2   0.77                                  525
SHIFTS  VAL  116   N   122.50    H     9.23    CA   60.30    HA    4.23      526
SHIFTS  VAL  116   CB   32.90    HB    1.97    CG1  17.90    CG2  18.40      527
SHIFTS  VAL  116   QQG   0.97                                                528
SHIFTS  SER  117   N   108.30    H     8.02    CA   54.80    HA    4.63      529
SHIFTS  SER  117   CB   62.40   1HB    3.80   2HB    3.94                    530
SHIFTS  ALA  118   N   119.90    H     8.62    CA   48.10    HA    5.20      531
SHIFTS  ALA  118   CB   18.40    QB    1.09                                  532
SHIFTS  GLU  119   N   118.00    H     9.00    CA   51.90    HA    4.80      533
SHIFTS  GLU  119   CB   30.20   1HB    2.13   2HB    2.08    CG   33.20      534
SHIFTS  GLU  119  1HG    2.31   2HG    2.20                                  535
SHIFTS  GLN  120   N   123.80    H     9.15    CA   53.70    HA    4.29      536
SHIFTS  GLN  120   CB   29.20   1HB    2.06   2HB    1.77    CG   33.40      537
SHIFTS  GLN  120  1HG    2.14   2HG    1.84    NE2 105.80   1HE2   7.94      538
SHIFTS  GLN  120  2HE2   7.15                                                539
SHIFTS  THR  121   N   115.40    H     8.22    CA   59.20    HA    4.43      540
SHIFTS  THR  121   CB   64.80    HB    4.97    CG2  20.20    QG2   1.23      541
SHIFTS  THR  121   HG1   5.89                                                542
SHIFTS  LEU  122   N   121.80    H     7.21    CA   54.10    HA    3.98      543
SHIFTS  LEU  122   CB   42.90   1HB    0.86   2HB    1.04    CG   23.40      544
SHIFTS  LEU  122   HG    1.47    CD1  19.90    QD1   0.02    CD2  23.40      545
SHIFTS  LEU  122   QD2   0.23                                                546
SHIFTS  FMN  123   N3  153.40   3H    10.87    C6  130.30    H6    5.89      547
SHIFTS  FMN  123   C9  116.10    H9    7.72    C7M  18.40    QM7   0.77      548
SHIFTS  FMN  123   C8M  18.20    QM8   2.04    C1*  47.20   1H1*   4.97      549
SHIFTS  FMN  123  2H1*   5.18    C2*  72.90    H2*   4.35   *HO2   5.80      550
SHIFTS  FMN  123   C3*  69.50    H3*   4.42   *HO3   6.25    C4*  69.40      551
SHIFTS  FMN  123   H4*   4.47   *HO4   5.88    C5*  59.30   1H5*   4.47      552
SHIFTS  FMN  123  2H5*   4.18                                                553
JCOUPL  PHE    6   H    HA   4.40  2.00    HA  1HB   4.00  3.00              554
JCOUPL  PHE    6   HA  2HB  11.00  3.00    N   2HB  -1.50  1.50              555
JCOUPL  PHE    6   N   1HB  -1.50  1.50                                      556
JCOUPL  PHE    7   H    HA   4.50  2.00    HA  1HB  11.00  3.00              557
JCOUPL  PHE    7   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              558
JCOUPL  PHE    7   N   1HB  -1.50  1.50                                      559
JCOUPL  GLU    8   H    HA   4.80  2.00    HA  2HB   4.00  3.00              560
JCOUPL  GLU    8   HA  1HB  11.00  3.00    N   2HB  -4.50  1.50              561
JCOUPL  GLU    8   N   1HB  -1.50  1.50                                      562
JCOUPL  VAL    9   H    HA   3.80  2.00    HA   HB  10.60  3.00              563
JCOUPL  LEU   10   HA  1HB  11.00  3.00    HA  2HB   4.00  3.00              564
JCOUPL  LEU   10   N   2HB  -4.50  1.50    N   1HB  -1.50  1.50              565
JCOUPL  LEU   10   H    HA   2.50  3.00                                      566
JCOUPL  LYS   11   H    HA   4.50  2.00    HA  1HB  11.00  3.00              567
JCOUPL  LYS   11   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              568
JCOUPL  LYS   11   N   1HB  -1.50  1.50                                      569
JCOUPL  ASN   12   H    HA  10.10  2.00    HA  1HB  11.00  3.00              570
JCOUPL  ASN   12   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              571
JCOUPL  ASN   12   N   1HB  -1.50  1.50                                      572
JCOUPL  GLU   13   H    HA   9.10  3.00    HA  2HB  11.00  3.00              573
JCOUPL  GLU   13   HA  1HB   4.00  3.00    N   2HB  -1.50  1.50              574
JCOUPL  GLU   13   N   1HB  -1.50  1.50                                      575
JCOUPL  VAL   15   H    HA   7.60  2.00    HA   HB  11.70  3.00              576
JCOUPL  VAL   15   N    HB  -1.50  1.50                                      577
JCOUPL  VAL   16   H    HA   8.00  2.00    HA   HB  11.00  3.00              578
JCOUPL  VAL   16   N    HB  -1.50  1.50                                      579
JCOUPL  ALA   17   H    HA   8.30  2.00                                      580
JCOUPL  ILE   18   H    HA   9.20  2.00    HA   HB  11.00  3.00              581
JCOUPL  ILE   18   N    HB  -1.50  1.50                                      582
JCOUPL  ALA   19   H    HA   9.00  2.00                                      583
JCOUPL  THR   20   H    HA   9.00  2.00    HA   HB  10.00  3.00              584
JCOUPL  THR   20   N    HB  -1.50  1.50                                      585
JCOUPL  GLN   21   H    HA   8.20  2.00    HA  1HB   4.00  3.00              586
JCOUPL  GLN   21   HA  2HB  11.00  3.00    N   2HB  -1.50  1.50              587
JCOUPL  GLN   21   N   1HB  -1.50  1.50                                      588
JCOUPL  GLU   23   H    HA   4.00  2.00    HA  1HB   4.00  3.00              589
JCOUPL  GLU   23   HA  2HB  11.00  3.00    N   1HB  -1.50  1.50              590
JCOUPL  GLU   23   N   2HB  -1.50  1.50                                      591
JCOUPL  ASP   24   H    HA   8.00  2.00    HA  2HB   4.00  3.00              592
JCOUPL  ASP   24   HA  1HB   4.00  3.00                                      593
JCOUPL  HIS   27   H    HA   7.70  2.00    HA  2HB  11.00  3.00              594
JCOUPL  HIS   27   HA  1HB   4.00  3.00    N   2HB  -1.50  1.50              595
JCOUPL  HIS   27   N   1HB  -1.50  1.50                                      596
JCOUPL  LEU   28   H    HA   8.40  2.00    HA  1HB   4.00  3.00              597
JCOUPL  LEU   28   HA  2HB  11.00  3.00    N   2HB  -1.50  1.50              598
JCOUPL  LEU   28   N   1HB  -1.50  1.50                                      599
JCOUPL  VAL   29   H    HA   8.50  2.00    HA   HB   5.00  3.00              600
JCOUPL  VAL   29   N    HB  -4.50  1.50                                      601
JCOUPL  ASN   30   H    HA   8.30  2.00    HA  1HB  11.00  3.00              602
JCOUPL  ASN   30   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              603
JCOUPL  ASN   30   N   1HB  -1.50  1.50                                      604
JCOUPL  THR   31   HA   H    3.30  3.00    HA   HB   5.00  3.00              605
JCOUPL  THR   31   N    HB  -1.50  1.50                                      606
JCOUPL  TRP   32   H    HA   7.70  2.00    HA  1HB  11.00  3.00              607
JCOUPL  TRP   32   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              608
JCOUPL  TRP   32   N   1HB  -1.50  1.50                                      609
JCOUPL  ASN   33   H    HA   3.50  2.00    HA  2HB   4.00  3.00              610
JCOUPL  ASN   33   HA  1HB  11.00  3.00    N   2HB  -4.50  1.50              611
JCOUPL  ASN   33   N   1HB  -1.50  1.50                                      612
JCOUPL  SER   34   H    HA   5.00  2.00    HA  1HB   4.00  3.00              613
JCOUPL  SER   34   HA  2HB  11.00  3.00    N   1HB  -1.50  1.50              614
JCOUPL  SER   34   N   2HB  -1.50  1.50                                      615
JCOUPL  TYR   35   H    HA   7.60  3.00    HA  2HB   4.00  3.00              616
JCOUPL  TYR   35   HA  1HB  11.00  3.00    N   2HB  -4.50  1.50              617
JCOUPL  TYR   35   N   1HB  -1.50  1.50                                      618
JCOUPL  LEU   36   H    HA   8.60  3.00    HA  1HB  11.00  3.00              619
JCOUPL  LEU   36   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              620
JCOUPL  LEU   36   N   1HB  -1.50  1.50                                      621
JCOUPL  LYS   37   H    HA   7.50  2.00    HA  1HB   4.00  3.00              622
JCOUPL  LYS   37   HA  2HB   4.00  3.00    N   1HB  -4.50  1.50              623
JCOUPL  LYS   37   N   2HB  -1.50  1.50                                      624
JCOUPL  VAL   38   H    HA   8.40  2.00    HA   HB  11.00  3.00              625
JCOUPL  VAL   38   N    HB  -1.50  1.50                                      626
JCOUPL  LEU   39   H    HA   8.90  2.00    HA  1HB  11.00  3.00              627
JCOUPL  LEU   39   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              628
JCOUPL  LEU   39   N   1HB  -1.50  1.50                                      629
JCOUPL  ASP   40   H    HA   3.40  2.00    HA  2HB  11.00  3.00              630
JCOUPL  ASP   40   HA  1HB   4.00  3.00    N   1HB  -1.50  1.50              631
JCOUPL  ASP   40   N   2HB  -1.50  1.50                                      632
JCOUPL  ASN   42   H    HA   9.90  3.00    HA  2HB   4.00  3.00              633
JCOUPL  ASN   42   HA  1HB   4.00  3.00    N   1HB  -4.50  1.50              634
JCOUPL  ASN   42   N   2HB  -1.50  1.50                                      635
JCOUPL  ARG   43   H    HA   8.00  2.00    HA  1HB   4.00  3.00              636
JCOUPL  ARG   43   HA  2HB  11.00  3.00    N   1HB  -1.50  1.50              637
JCOUPL  ARG   43   N   2HB  -1.50  1.50                                      638
JCOUPL  ILE   44   H    HA   8.60  2.00    HA   HB  11.00  3.00              639
JCOUPL  ILE   44   N    HB  -1.50  1.50                                      640
JCOUPL  VAL   45   H    HA   8.10  2.00    HA   HB  10.90  3.00              641
JCOUPL  VAL   45   N    HB  -1.50  1.50                                      642
JCOUPL  VAL   46   H    HA   8.80  2.00    HA   HB  11.00  3.00              643
JCOUPL  VAL   46   N    HB  -1.50  1.50                                      644
JCOUPL  VAL   48   H    HA   5.50  2.00    HA   HB   4.00  3.00              645
JCOUPL  VAL   48   N    HB  -1.50  1.50                                      646
JCOUPL  MET   51   N   1HB  -1.50  1.50    N   2HB  -4.50  1.50              647
JCOUPL  MET   51   H    HA   8.00  2.00    HA  1HB  11.00  3.00              648
JCOUPL  MET   51   HA  2HB   4.00  3.00                                      649
JCOUPL  HIS   52   H    HA   7.10  2.00    HA  1HB  11.00  3.00              650
JCOUPL  HIS   52   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              651
JCOUPL  HIS   52   N   1HB  -1.50  1.50                                      652
JCOUPL  LYS   53   H    HA   4.80  2.00    N   2HB  -1.50  1.50              653
JCOUPL  LYS   53   N   1HB  -1.50  1.50                                      654
JCOUPL  THR   54   H    HA   4.50  2.00    HA   HB   4.50  3.00              655
JCOUPL  THR   54   N    HB  -1.50  1.50                                      656
JCOUPL  GLU   55   H    HA   5.00  2.00    HA  1HB   4.00  3.00              657
JCOUPL  GLU   55   HA  2HB  11.00  3.00    N   2HB  -1.50  1.50              658
JCOUPL  GLU   55   N   1HB  -1.50  1.50                                      659
JCOUPL  ALA   56   H    HA   3.80  2.00                                      660
JCOUPL  ASN   57   H    HA   3.90  3.00    HA  2HB   4.00  3.00              661
JCOUPL  ASN   57   HA  1HB  11.00  3.00    N   1HB  -1.50  1.50              662
JCOUPL  ASN   57   N   2HB  -4.50  1.50                                      663
JCOUPL  VAL   58   H    HA   4.50  2.00    HA   HB  10.00  3.00              664
JCOUPL  ALA   59   H    HA   4.10  2.00                                      665
JCOUPL  ARG   60   H    HA   4.80  2.00                                      666
JCOUPL  ASP   61   HA  1HB   4.00  3.00    HA  2HB  11.00  3.00              667
JCOUPL  ASP   61   N   2HB  -1.50  1.50    N   1HB  -1.50  1.50              668
JCOUPL  ASP   61   H    HA   6.90  2.00                                      669
JCOUPL  GLU   62   H    HA   4.40  2.00    HA  1HB   4.00  3.00              670
JCOUPL  GLU   62   HA  2HB   4.00  3.00    N   1HB  -4.50  1.50              671
JCOUPL  GLU   62   N   2HB  -1.50  1.50                                      672
JCOUPL  ARG   63   H    HA   3.80  2.00    HA  2HB   4.00  3.00              673
JCOUPL  ARG   63   HA  1HB  11.00  3.00    N   1HB  -1.50  1.50              674
JCOUPL  ARG   63   N   2HB  -4.50  1.50                                      675
JCOUPL  VAL   64   H    HA   8.00  2.00    HA   HB   4.40  2.00              676
JCOUPL  VAL   64   N    HB  -4.50  1.50                                      677
JCOUPL  LEU   65   H    HA   8.40  2.00    HA  2HB  11.00  3.00              678
JCOUPL  LEU   65   HA  1HB   4.00  3.00    N   1HB  -1.50  1.50              679
JCOUPL  LEU   65   N   2HB  -1.50  1.50                                      680
JCOUPL  MET   66   H    HA   8.00  2.00    HA  2HB  11.00  3.00              681
JCOUPL  MET   66   HA  1HB   4.00  3.00    N   2HB  -1.50  1.50              682
JCOUPL  MET   66   N   1HB  -1.50  1.50                                      683
JCOUPL  THR   67   H    HA   8.00  2.00    HA   HB   5.00  3.00              684
JCOUPL  THR   67   N    HB  -4.50  1.50                                      685
JCOUPL  LEU   68   HA  1HB   4.00  3.00    HA  2HB   4.00  3.00              686
JCOUPL  LEU   68   N   1HB  -4.50  1.50    N   2HB  -1.50  1.50              687
JCOUPL  SER   70   H    HA   5.50  2.00    HA  2HB  11.00  3.00              688
JCOUPL  SER   70   HA  1HB   4.00  3.00    N   2HB  -1.50  1.50              689
JCOUPL  SER   70   N   1HB  -1.50  1.50                                      690
JCOUPL  ARG   71   HA  1HB  11.00  3.00    HA  2HB   4.00  3.00              691
JCOUPL  LYS   72   HA  1HB  11.00  3.00    HA  2HB   4.00  3.00              692
JCOUPL  LYS   72   N   2HB  -4.50  1.50    N   1HB  -1.50  1.50              693
JCOUPL  VAL   73   H    HA   7.80  2.00    HA   HB  10.00  3.00              694
JCOUPL  VAL   73   N    HB  -1.50  1.50                                      695
JCOUPL  ALA   74   H    HA   5.00  2.00                                      696
JCOUPL  ARG   76   H    HA   7.20  2.00    HA  1HB  11.00  3.00              697
JCOUPL  ARG   76   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              698
JCOUPL  ARG   76   N   1HB  -1.50  1.50                                      699
JCOUPL  ASN   77   H    HA   8.50  2.00                                      700
JCOUPL  THR   81   N    HB  -1.50  1.50    HA   HB  10.00  3.00              701
JCOUPL  PHE   83   H    HA   8.40  2.00    HA  1HB  11.10  3.00              702
JCOUPL  PHE   83   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              703
JCOUPL  PHE   83   N   1HB  -1.50  1.50                                      704
JCOUPL  LEU   84   H    HA   8.80  2.00    HA  2HB  11.00  3.00              705
JCOUPL  LEU   84   HA  1HB   4.00  3.00    N   2HB  -1.50  1.50              706
JCOUPL  LEU   84   N   1HB  -1.50  1.50                                      707
JCOUPL  ILE   85   H    HA   8.70  2.00    HA   HB  11.00  3.00              708
JCOUPL  ILE   85   N    HB  -1.50  1.50                                      709
JCOUPL  ARG   86   H    HA   9.20  2.00    HA  2HB   4.00  3.00              710
JCOUPL  ARG   86   HA  1HB  11.00  3.00    N   1HB  -1.50  1.50              711
JCOUPL  ARG   86   N   2HB  -4.50  1.50                                      712
JCOUPL  SER   88   H    HA  10.00  2.00                                      713
JCOUPL  ALA   89   H    HA   8.50  2.00                                      714
JCOUPL  ALA   90   H    HA   8.10  2.00                                      715
JCOUPL  PHE   91   H    HA   8.40  2.00    HA  2HB   4.00  3.00              716
JCOUPL  PHE   91   HA  1HB  11.00  3.00    N   2HB  -4.50  1.50              717
JCOUPL  PHE   91   N   1HB  -1.50  1.50                                      718
JCOUPL  ARG   92   H    HA   8.00  2.00    HA  1HB  11.00  3.00              719
JCOUPL  ARG   92   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              720
JCOUPL  ARG   92   N   1HB  -1.50  1.50                                      721
JCOUPL  THR   93   H    HA   8.10  2.00    HA   HB   4.20  3.00              722
JCOUPL  TRH   93   N    HB  -1.50  1.50                                      723
JCOUPL  ASP   94   H    HA   4.70  3.00                                      724
JCOUPL  GLU   97   H    HA   5.00  2.00    HA  1HB  11.00  3.00              725
JCOUPL  GLU   97   HA  2HB   4.00  3.00    N   2HB  -4.50  1.50              726
JCOUPL  GLU   97   N   1HB  -1.50  1.50                                      727
JCOUPL  PHE   98   H    HA   3.30  2.00    HA  1HB   4.00  3.00              728
JCOUPL  PHE   98   HA  2HB  11.00  3.00    N   2HB  -1.50  1.50              729
JCOUPL  PHE   98   N   1HB  -1.50  1.50                                      730
JCOUPL  GLU   99   H    HA   4.50  2.00                                      731
JCOUPL  ALA  100   H    HA   4.00  2.00                                      732
JCOUPL  ILE  101   H    HA   5.50  2.00    HA   HB   4.00  3.00              733
JCOUPL  ALA  102   H    HA   3.10  2.00                                      734
JCOUPL  ARG  103   H    HA   4.90  3.00    HA  1HB   4.00  3.00              735
JCOUPL  ARG  103   HA  2HB   4.00  3.00    N   1HB  -4.50  1.50              736
JCOUPL  ARG  103   N   2HB  -1.50  1.50                                      737
JCOUPL  PHE  104   H    HA   6.00  3.00    HA  2HB   4.00  3.00              738
JCOUPL  PHE  104   HA  1HB  11.00  3.00    N   2HB  -4.50  1.50              739
JCOUPL  PHE  104   N   1HB  -1.50  1.50                                      740
JCOUPL  LYS  105   HA  2HB  11.00  3.00    HA  1HB   4.00  3.00              741
JCOUPL  LYS  105   N   2HB  -1.50  1.50    N   1HB  -1.50  1.50              742
JCOUPL  TRP  106   H    HA   7.70  2.00    HA  2HB   4.00  3.00              743
JCOUPL  TRP  106   HA  1HB   4.00  3.00    N   2HB  -1.50  1.50              744
JCOUPL  TRP  106   N   1HB  -4.50  1.50                                      745
JCOUPL  ALA  107   H    HA   5.80  2.00                                      746
JCOUPL  ARG  108   H    HA   8.70  2.00    HA  2HB  11.00  3.00              747
JCOUPL  ARG  108   HA  1HB   4.00  3.00    N   2HB  -1.50  1.50              748
JCOUPL  ARG  108   N   1HB  -1.50  1.50                                      749
JCOUPL  ALA  109   H    HA   8.30  3.00                                      750
JCOUPL  ALA  110   H    HA   9.00  2.00                                      751
JCOUPL  LEU  111   H    HA   8.70  2.00    HA  1HB   4.00  3.00              752
JCOUPL  LEU  111   HA  2HB  11.00  3.00    N   2HB  -1.50  1.50              753
JCOUPL  LEU  111   N   1HB  -1.50  1.50                                      754
JCOUPL  VAL  112   H    HA   8.60  2.00    N    HB  -1.50  1.50              755
JCOUPL  VAL  112   HA   HB  11.00  3.00                                      756
JCOUPL  ILE  113   H    HA   8.80  2.00    HA   HB  11.00  3.00              757
JCOUPL  ILE  113   N    HB  -1.50  1.50                                      758
JCOUPL  THR  114   H    HA   8.80  2.00    HA   HB  10.00  3.00              759
JCOUPL  THR  114   N    HB  -1.50  1.50                                      760
JCOUPL  VAL  115   H    HA   3.70  2.00    N    HB  -1.50  1.50              761
JCOUPL  VAL  115   HA   HB  10.60  3.00                                      762
JCOUPL  VAL  116   H    HA   9.30  2.00    HA   HB  11.00  3.00              763
JCOUPL  VAL  116   N    HB  -1.50  1.50                                      764
JCOUPL  SER  117   N   2HB  -4.50  1.50    N   1HB  -1.50  1.50              765
JCOUPL  SER  117   H    HA   6.20  2.00    HA  1HB   4.00  3.00              766
JCOUPL  SER  117   HA  2HB   4.00  3.00                                      767
JCOUPL  ALA  118   H    HA   8.10  2.00                                      768
JCOUPL  GLU  119   H    HA   8.80  2.00    HA  2HB   4.00  3.00              769
JCOUPL  GLU  119   HA  1HB   4.00  3.00    N   1HB  -4.50  1.50              770
JCOUPL  GLU  119   N   2HB  -1.50  1.50                                      771
JCOUPL  GLU  120   H    HA   7.20  2.00    HA  2HB  11.00  3.00              772
JCOUPL  GLN  120   HA  1HB   4.00  3.00    N   1HB  -1.50  1.50              773
JCOUPL  GLN  120   N   2HB  -1.50  1.50                                      774
JCOUPL  THR  121   H    HA   9.40  2.00    HA   HB  10.00  2.00              775
JCOUPL  THR  121   N    HB  -1.50  1.50                                      776
JCOUPL  LEU  122   HA  1HB  11.00  3.00    HA  2HB   4.00  3.00              777
NOEUPP  MET    1  QB  ASN   42  QB   6.38                                    778
NOEUPP  LEU    2  HA  LEU    2  QD1  5.50      HA  LEU    2  QD2  5.50       779
NOEUPP  LEU    2  HA  PRO    3 1HD   3.90      HA  PRO    3 2HD   3.90       780
NOEUPP  LEU    2  HA  PRO    3  QD   3.60      QB  PRO    3  QD   6.15       781
NOEUPP  LEU    2  QD1 PRO    3 1HD   8.64      QD1 PRO    3 2HD   8.64       782
NOEUPP  LEU    2  QD1 PHE    6  CG   7.50      QD1 PHE    6  CZ   7.50       783
NOEUPP  LEU    2  QD1 VAL  115  QG1  6.50      QD1 VAL  115  QG2  6.50       784
NOEUPP  LEU    2  QD2 PRO    3 1HD   8.64      QD2 PRO    3 2HD   8.64       785
NOEUPP  LEU    2  QD2 PHE    6  CG   7.50      QD2 PHE    6  CZ   7.50       786
NOEUPP  LEU    2  QD2 VAL  115  QG1  6.50      QD2 VAL  115  QG2  6.50       787
NOEUPP  LEU    2  QQD PRO    3  QD   7.02      QQD PHE    7  CZ   9.07       788
NOEUPP  LEU    2  QQD PHE    7  HZ   7.07      QQD ASN   42  HA   7.07       789
NOEUPP  LEU    2  QQD VAL  115  QQG  6.03      QQD VAL  116  QQG  8.57       790
NOEUPP  LEU    2  QQD ALA  118  QB   6.77                                    791
NOEUPP  PRO    3 1HB  PHE    6  H    4.30     2HB  PHE    6  H    4.30       792
NOEUPP  PRO    3  QB  PHE    6  H    3.73      QB  PHE   83  CG   7.38       793
NOEUPP  PRO    3 1HG  PHE   83  CZ   6.50     2HG  PHE   83  CZ   6.50       794
NOEUPP  PRO    3  QG  PHE    6  H    5.38      QD  ALA  118  QB   6.38       795
NOEUPP  GLY    4  QA  PHE    7  CG   7.38      QA  GLU    8  H    4.98       796
NOEUPP  GLY    4  O   GLU    8  N    3.00      O   GLU    8  H    2.00       797
NOEUPP  THR    5  HA  VAL    9  H    4.20      HB  PHE    6  H    4.00       798
NOEUPP  THR    5  HB  PHE   83  CZ   6.50      HB  PHE   83  HZ   4.50       799
NOEUPP  THR    5  QG2 PHE    6  H    5.50      QG2 GLU    8  QG   6.38       800
NOEUPP  THR    5  QG2 PHE   83  HZ   5.10      QG2 GLN  120 1HE2  5.50       801
NOEUPP  THR    5  QG2 GLN  120 2HE2  5.50      O   VAL    9  N    3.00       802
NOEUPP  THR    5  O   VAL    9  H    2.00                                    803
NOEUPP  PHE    6  H   PHE    6 1HB   3.10      H   PHE    6 2HB   3.10       804
NOEUPP  PHE    6  H   PHE    6  QB   2.77      H   PHE    7  H    3.10       805
NOEUPP  PHE    6  H   PHE   83  HZ   4.50      HA  VAL    9  H    3.70       806
NOEUPP  PHE    6  HA  VAL    9  HB   3.70      HA  VAL    9  QG1  5.50       807
NOEUPP  PHE    6  HA  VAL    9  QG2  5.50      HA  LEU   10  H    4.20       808
NOEUPP  PHE    6  HA  PHE   83  CZ   6.00      HA  PHE   83  HZ   4.50       809
NOEUPP  PHE    6  QB  PHE    7  H    4.18      CG  PHE    7  H    6.50       810
NOEUPP  PHE    6  CG  PHE    7  HA   6.50      CG  PHE    7  CG   8.50       811
NOEUPP  PHE    6  CG  PHE    7  CZ   8.50      CG  LEU   10  QD1  7.50       812
NOEUPP  PHE    6  CG  LEU   10  QD2  7.50      CG  LEU   68  QQD  9.07       813
NOEUPP  PHE    6  CG  PHE   83  CG   8.50      CG  PHE   83  CZ   8.50       814
NOEUPP  PHE    6  CZ  PHE    7  CZ   8.50      CZ  LEU   10  QD1  6.70       815
NOEUPP  PHE    6  CZ  LEU   10  QD2  6.70      CZ  VAL   38  QQG  8.90       816
NOEUPP  PHE    6  CZ  LEU   68  QQD  9.07      CZ  ILE   85  QG1  7.38       817
NOEUPP  PHE    6  HZ  LEU   10  QD1  4.80      HZ  LEU   10  QD2  4.80       818
NOEUPP  PHE    6  HZ  LEU   10  QQD  4.38      HZ  VAL   38  QQG  6.90       819
NOEUPP  PHE    6  HZ  ILE   44  QG1  5.38      O   LEU   10  N    3.00       820
NOEUPP  PHE    6  O   LEU   10  H    2.00                                    821
NOEUPP  PHE    7  H   PHE    7  QB   3.49      H   GLU    8  H    3.20       822
NOEUPP  PHE    7  H   VAL    9  H    4.30      HA  PHE    7  QB   2.76       823
NOEUPP  PHE    7  HA  LEU   10  H    3.50      HA  LEU   10  QB   4.08       824
NOEUPP  PHE    7  HA  LEU   10  HG   4.10      HA  LEU   10  QQD  6.97       825
NOEUPP  PHE    7  HA  LYS   11  H    4.20     1HB  GLU    8  H    4.20       826
NOEUPP  PHE    7 2HB  GLU    8  H    4.20      QB  GLU    8  H    3.72       827
NOEUPP  PHE    7  CG  LEU   10  QQD  9.07      CZ  LEU   10  QQD  9.07       828
NOEUPP  PHE    7  CZ  VAL   38  HB   6.50      CZ  VAL   38  QQG  8.90       829
NOEUPP  PHE    7  HZ  VAL   38  QQG  6.90      O   LYS   11  N    3.00       830
NOEUPP  PHE    7  O   LYS   11  H    2.00                                    831
NOEUPP  GLU    8  H   GLU    8  QB   3.46      H   GLU    8  QG   4.18       832
NOEUPP  GLU    8  H   VAL    9  H    3.20      HA  LYS   11  H    3.80       833
NOEUPP  GLU    8  HA  LYS   11  QB   4.38      HA  LYS   11  QE   5.38       834
NOEUPP  GLU    8 1HB  VAL    9  H    4.40     2HB  VAL    9  H    4.40       835
NOEUPP  GLU    8  QB  VAL    9  H    3.88      QB  LYS   11  QG   6.38       836
NOEUPP  GLU    8  QG  VAL    9  H    5.38                                    837
NOEUPP  VAL    9  H   VAL    9  HB   2.70      H   VAL    9  QQG  4.15       838
NOEUPP  VAL    9  H   LEU   10  H    2.90      HA  ASN   12  H    4.10       839
NOEUPP  VAL    9  HA  ASN   12  QB   4.58      HA  ASN   12 1HD2  4.50       840
NOEUPP  VAL    9  HA  ASN   12 2HD2  4.50      HA  VAL   73  QQG  6.96       841
NOEUPP  VAL    9  HB  LEU   10  H    3.00      HB  LEU   68  QQD  6.77       842
NOEUPP  VAL    9  QG1 LEU   10  H    5.40      QG1 GLY   69 1HA   8.62       843
NOEUPP  VAL    9  QG1 GLY   69 2HA   8.62      QG1 SER   70 1HB   7.25       844
NOEUPP  VAL    9  QG1 SER   70 2HB   7.25      QG1 PHE   83  CZ   7.50       845
NOEUPP  VAL    9  QG2 LEU   10  H    5.40      QG2 GLY   69 1HA   8.62       846
NOEUPP  VAL    9  QG2 GLY   69 2HA   8.62      QG2 SER   70 1HB   7.25       847
NOEUPP  VAL    9  QG2 SER   70 2HB   7.25      QG2 PHE   83  CZ   7.50       848
NOEUPP  VAL    9  QQG ASN   33  QD2  7.93      QQG LEU   68  HG   5.66       849
NOEUPP  VAL    9  QQG GLY   69  H    7.06      QQG GLY   69  QA   7.01       850
NOEUPP  VAL    9  QQG SER   70  QB   5.71      QQG PHE   83  CG   9.06       851
NOEUPP  VAL    9  QQG PHE   83  HZ   7.06      O   ASN   12  N    3.00       852
NOEUPP  VAL    9  O   ASN   12  H    2.00                                    853
NOEUPP  LEU   10  H   LEU   10  QB   3.58      H   LEU   10  HG   4.20       854
NOEUPP  LEU   10  H   LEU   10  QD1  5.20      H   LEU   10  QD2  5.20       855
NOEUPP  LEU   10  H   LEU   10  QQD  4.85      HA  LEU   10  QD1  5.50       856
NOEUPP  LEU   10  HA  LEU   10  QD2  5.50      HA  LEU   10  QQD  4.42       857
NOEUPP  LEU   10  HA  LYS   11  H    3.60      HA  ASN   12  H    3.80       858
NOEUPP  LEU   10  HA  ASN   33  QD2  5.37     1HB  LYS   11  H    3.70       859
NOEUPP  LEU   10 2HB  LYS   11  H    3.70      QB  VAL   38  QQG  7.78       860
NOEUPP  LEU   10  QD1 ASN   33 1HB   8.64      QD1 ASN   33 2HB   8.64       861
NOEUPP  LEU   10  QD1 ASN   33 1HD2  7.23      QD1 ASN   33 2HD2  7.23       862
NOEUPP  LEU   10  QD2 ASN   33 1HB   8.64      QD2 ASN   33 2HB   8.64       863
NOEUPP  LEU   10  QD2 ASN   33 1HD2  7.23      QD2 ASN   33 2HD2  7.23       864
NOEUPP  LEU   10  QQD ASN   33  HA   7.07      QQD ASN   33  QB   7.02       865
NOEUPP  LEU   10  QQD ASN   33  QD2  6.17      QQD LEU   36  QB   7.95       866
NOEUPP  LEU   10  QQD VAL   38  HB   7.07      QQD VAL   38  QQG  8.27       867
NOEUPP  LYS   11  H   LYS   11  QB   3.59      H   LYS   11  QG   4.38       868
NOEUPP  LYS   11  H   ASN   12  H    2.90      HA  LYS   11 1HG   4.00       869
NOEUPP  LYS   11  HA  LYS   11 2HG   4.00      HA  LYS   11  QG   3.65       870
NOEUPP  LYS   11  QB  ASN   12  H    4.48                                    871
NOEUPP  ASN   12  H   ASN   12 1HB   3.80      H   ASN   12 2HB   3.80       872
NOEUPP  ASN   12  H   ASN   12  QB   3.36      HA  GLU   13  H    3.20       873
NOEUPP  ASN   12  QD2 VAL   73  QQG  7.93                                    874
NOEUPP  GLU   13  H   GLU   13  QB   3.77      HA  GLY   14  H    2.80       875
NOEUPP  GLU   13  HA  ASN   33  H    4.10      HA  ASN   33 1HB   4.50       876
NOEUPP  GLU   13  HA  ASN   33 2HB   4.50      HA  ASN   33  QB   3.93       877
NOEUPP  GLU   13  QG  GLY   14  H    5.50      QG  TRP   32  HE3  5.50       878
NOEUPP  GLY   14  H   TRP   32  HA   4.20      H   TRP   32  HE3  4.50       879
NOEUPP  GLY   14  H   ASN   33  H    3.10      H   ASN   33 1HB   4.50       880
NOEUPP  GLY   14  H   ASN   33 2HB   4.50      H   ASN   33  QB   4.07       881
NOEUPP  GLY   14 1HA  VAL   15  H    3.50     2HA  VAL   15  H    3.50       882
NOEUPP  VAL   15  H   VAL   15  HB   2.90      HA  VAL   16  H    2.50       883
NOEUPP  VAL   15  HA  VAL   16  QQG  7.06      QG1 VAL   16  H    5.50       884
NOEUPP  VAL   15  QG1 ASN   30 1HD2  7.23      QG1 ASN   30 2HD2  7.23       885
NOEUPP  VAL   15  QG2 VAL   16  H    5.50      QG2 ASN   30 1HD2  7.23       886
NOEUPP  VAL   15  QG2 ASN   30 2HD2  7.23      QQG ASN   30  HA   7.06       887
NOEUPP  VAL   15  QQG ASN   30  QD2  5.71      QQG TRP   32  HA   7.06       888
NOEUPP  VAL   15  QQG TRP   32  HE3  7.06      QQG TRP   32  HZ3  6.16       889
NOEUPP  VAL   15  QQG TRP   32  HZ2  7.06      QQG TRP   32  HH2  6.66       890
NOEUPP  VAL   16  N   THR   31  O    3.00      H   VAL   16  HB   2.80       891
NOEUPP  VAL   16  H   THR   31  H    3.50      H   THR   31  O    2.00       892
NOEUPP  VAL   16  H   TRP   32  HA   3.60      HA  ALA   17  H    2.70       893
NOEUPP  VAL   16  HB  THR   31  H    4.10      QG1 ALA   17  H    5.50       894
NOEUPP  VAL   16  QG2 ALA   17  H    5.50      QQG ALA   17  H    4.87       895
NOEUPP  VAL   16  QQG ASN   30  HA   7.06      QQG THR   31  H    7.06       896
NOEUPP  VAL   16  QQG TRP   32  H    7.06      QQG TRP   32  HA   7.06       897
NOEUPP  VAL   16  QQG ASN   33  H    6.56      QQG LEU   68  QB   7.74       898
NOEUPP  VAL   16  O   THR   31  N    3.00      O   THR   31  H    2.00       899
NOEUPP  ALA   17  N   THR   67  O    3.00      H   THR   67  H    3.20       900
NOEUPP  ALA   17  H   THR   67  HG1  4.50      H   THR   67  O    2.00       901
NOEUPP  ALA   17  HA  ILE   18  H    2.40      HA  ILE   18  QG1  5.38       902
NOEUPP  ALA   17  HA  LEU   28  QQD  7.07      HA  ASN   30  HA   2.90       903
NOEUPP  ALA   17  HA  ASN   30 1HD2  4.50      HA  ASN   30 2HD2  4.50       904
NOEUPP  ALA   17  HA  ASN   30  QD2  3.89      QB  ASN   30 1HD2  5.50       905
NOEUPP  ALA   17  QB  ASN   30 2HD2  5.50      QB  ASN   30  QD2  4.90       906
NOEUPP  ALA   17  O   THR   67  N    3.00      O   THR   67  H    2.00       907
NOEUPP  ILE   18  N   VAL   29  O    3.00      H   ILE   18  HB   2.90       908
NOEUPP  ILE   18  H   ILE   18 1HG1  4.50      H   ILE   18 2HG1  4.50       909
NOEUPP  ILE   18  H   ILE   18  QG1  3.98      H   ILE   18  QD1  5.50       910
NOEUPP  ILE   18  H   LEU   28  QQD  7.07      H   VAL   29  H    3.30       911
NOEUPP  ILE   18  H   VAL   29  QQG  7.06      H   VAL   29  O    2.00       912
NOEUPP  ILE   18  H   ASN   30  HA   3.80      H   ASN   30  QD2  5.37       913
NOEUPP  ILE   18  HA  ILE   18  QG1  3.85      HA  MET   66  HA   3.00       914
NOEUPP  ILE   18  HB  VAL   29  QQG  5.56      QG2 ALA   19  H    4.80       915
NOEUPP  ILE   18  QG2 VAL   64  HB   5.50      QG2 MET   66  HA   5.50       916
NOEUPP  ILE   18  QG2 MET   66  QB   6.38      QG2 LEU  111  QQD  6.57       917
NOEUPP  ILE   18  QG2 ILE  113  QD1  4.30      QG1 MET   66  QE   6.38       918
NOEUPP  ILE   18  QD1 THR   31  QG2  5.40      QD1 VAL   46  QG1  5.20       919
NOEUPP  ILE   18  QD1 VAL   46  QG2  5.20      QD1 VAL   46  QQG  4.81       920
NOEUPP  ILE   18  QD1 MET   51  QE   6.50      QD1 MET   66  QB   6.38       921
NOEUPP  ILE   18  QD1 LEU  111  QQD  6.77      QD1 ILE  113  QG1  6.38       922
NOEUPP  ILE   18  QD1 ILE  113  QD1  4.60      O   VAL   29  N    3.00       923
NOEUPP  ILE   18  O   VAL   29  H    2.00                                    924
NOEUPP  ALA   19  N   LEU   65  O    3.00      H   LEU   28  QD1  5.70       925
NOEUPP  ALA   19  H   LEU   28  QD2  5.70      H   LEU   28  QQD  5.38       926
NOEUPP  ALA   19  H   VAL   64  QQG  7.06      H   LEU   65  H    3.10       927
NOEUPP  ALA   19  H   LEU   65  O    2.00      H   MET   66  HA   3.70       928
NOEUPP  ALA   19  HA  THR   20  H    2.40      HA  LEU   28  HA   3.00       929
NOEUPP  ALA   19  HA  LEU   28  QD1  5.50      HA  LEU   28  QD2  5.50       930
NOEUPP  ALA   19  HA  VAL   29  H    3.90      QB  PRO   26  QB   5.68       931
NOEUPP  ALA   19  QB  LEU   28  QD1  5.50      QB  LEU   28  QD2  5.50       932
NOEUPP  ALA   19  QB  LEU   28  QQD  5.17      QB  VAL   64  HA   5.50       933
NOEUPP  ALA   19  QB  VAL   64  HB   5.50      QB  LEU   65  H    5.50       934
NOEUPP  ALA   19  O   LEU   65  N    3.00      O   LEU   65  H    2.00       935
NOEUPP  THR   20  N   HIS   27  O    3.00      H   THR   20  HG1  3.40       936
NOEUPP  THR   20  H   HIS   27  H    3.10      H   HIS   27  O    2.00       937
NOEUPP  THR   20  H   LEU   28  HA   3.80      HA  GLN   21  H    2.70       938
NOEUPP  THR   20  HA  THR   54  QG2  5.50      HA  ASN   57  QB   4.68       939
NOEUPP  THR   20  HA  VAL   58  QQG  7.06      QG2 GLN   21  H    5.30       940
NOEUPP  THR   20  QG2 THR   54  HA   5.50      QG2 VAL   58  QG1  5.40       941
NOEUPP  THR   20  QG2 VAL   58  QG2  5.40      QG2 VAL   58  QQG  4.82       942
NOEUPP  THR   20  QG2 VAL   64  HA   5.50      QG2 VAL   64  HB   5.50       943
NOEUPP  THR   20  HG1 HIS   27 1HB   4.70      HG1 HIS   27 2HB   4.70       944
NOEUPP  THR   20  HG1 HIS   27  QB   4.32      O   HIS   27  N    3.00       945
NOEUPP  THR   20  O   HIS   27  H    2.00                                    946
NOEUPP  GLN   21  N   ARG   63  O    3.00      H   GLN   21 1HB   3.30       947
NOEUPP  GLN   21  H   GLN   21 2HB   3.30      H   GLN   21  QB   3.03       948
NOEUPP  GLN   21  H   ARG   63  O    2.00      H   VAL   64  HA   4.30       949
NOEUPP  GLN   21  HA  GLY   22  H    2.50      HA  PRO   26  HA   3.10       950
NOEUPP  GLN   21  HA  HIS   27  H    3.90     1HB  ARG   63 1HD   6.25       951
NOEUPP  GLN   21 1HB  ARG   63 2HD   6.25     2HB  ARG   63 1HD   6.25       952
NOEUPP  GLN   21 2HB  ARG   63 2HD   6.25      QB  PRO   26  QD   6.25       953
NOEUPP  GLN   21  QB  ARG   63  QD   5.20     1HE2 GLY   22  H    4.50       954
NOEUPP  GLN   21 1HE2 GLY   25 1HA   6.25     1HE2 GLY   25 2HA   6.25       955
NOEUPP  GLN   21 1HE2 PRO   26 1HB   6.25     1HE2 PRO   26 2HB   6.25       956
NOEUPP  GLN   21 2HE2 GLY   22  H    4.50     2HE2 GLY   25 1HA   6.25       957
NOEUPP  GLN   21 2HE2 GLY   25 2HA   6.25     2HE2 PRO   26 1HB   6.25       958
NOEUPP  GLN   21 2HE2 PRO   26 2HB   6.25      QE2 GLU   23  HA   5.37       959
NOEUPP  GLN   21  QE2 GLY   25  H    5.37      QE2 GLY   25  QA   5.31       960
NOEUPP  GLN   21  QE2 PRO   26  QB   5.21      QE2 PRO   26  QD   6.24       961
NOEUPP  GLY   22  H   PRO   26  HA   3.00                                    962
NOEUPP  GLU   23  H   GLU   23  QB   3.63      H   ASP   24  H    4.00       963
NOEUPP  GLU   23  HA  GLU   23 1HG   4.20      HA  GLU   23 2HG   4.20       964
NOEUPP  GLU   23  HA  GLU   23  QG   3.54      HA  GLY   25  H    4.00       965
NOEUPP  GLU   23 1HG  ASP   24  H    4.50     2HG  ASP   24  H    4.50       966
NOEUPP  ASP   24  H   ASP   24 1HB   3.60      H   ASP   24 2HB   3.60       967
NOEUPP  ASP   24  H   GLY   25  H    3.30      HA  ASP   24 1HB   2.80       968
NOEUPP  ASP   24  HA  ASP   24 2HB   2.80      HA  GLY   25  H    3.40       969
NOEUPP  GLY   25  H   GLY   25 1HA   2.90      H   GLY   25 2HA   2.90       970
NOEUPP  GLY   25  H   PRO   26  QD   5.38     1HA  PRO   26 1HD   3.90       971
NOEUPP  GLY   25 1HA  PRO   26 2HD   3.90     2HA  PRO   26 1HD   3.90       972
NOEUPP  GLY   25 2HA  PRO   26 2HD   3.90                                    973
NOEUPP  PRO   26  HA  HIS   27  H    2.50     1HB  HIS   27  H    3.50       974
NOEUPP  PRO   26 2HB  HIS   27  H    3.50                                    975
NOEUPP  HIS   27  H   HIS   27 1HB   3.40      H   HIS   27 2HB   3.40       976
NOEUPP  HIS   27  HA  LEU   28  H    2.50     1HB  ASN   57 1HD2  4.50       977
NOEUPP  HIS   27 1HB  ASN   57 2HD2  4.50     2HB  ASN   57 1HD2  4.50       978
NOEUPP  HIS   27 2HB  ASN   57 2HD2  4.50      QB  ASN   57  QD2  3.94       979
NOEUPP  HIS   27  HD2 VAL   29  QQG  7.06      HD2 LYS   53  QB   5.50       980
NOEUPP  HIS   27  HD2 LYS   53  QG   5.38      HD2 LYS   53  QD   5.50       981
NOEUPP  HIS   27  HD2 THR   54  H    4.50      HD2 THR   54  HA   4.50       982
NOEUPP  LEU   28  H   LEU   28  QB   3.54      HA  LEU   28  HG   4.00       983
NOEUPP  LEU   28  HA  LEU   28  QD1  5.50      HA  LEU   28  QD2  5.50       984
NOEUPP  LEU   28  HA  VAL   29  H    2.60      HA  VAL   29  QQG  7.06       985
NOEUPP  LEU   28  HG  VAL   29  H    4.50      QD1 LEU   65  QD1  8.34       986
NOEUPP  LEU   28  QD1 LEU   65  QD2  8.34      QD1 THR   67  QG2  4.80       987
NOEUPP  LEU   28  QD2 LEU   65  QD1  8.34      QD2 LEU   65  QD2  8.34       988
NOEUPP  LEU   28  QD2 THR   67  QG2  4.80      QQD VAL   29  H    6.67       989
NOEUPP  LEU   28  QQD LEU   65  QQD  6.59      QQD MET   66  HA   6.77       990
NOEUPP  LEU   28  QQD THR   67  H    7.07      QQD THR   67  HG1  7.07       991
NOEUPP  VAL   29  H   VAL   29  HB   3.90      HA  VAL   29  HB   2.60       992
NOEUPP  VAL   29  HA  ASN   30  H    3.00      HB  ASN   30  H    2.90       993
NOEUPP  VAL   29  HB  FMN  123 *HO4  3.50      QG1 ASN   30  H    5.50       994
NOEUPP  VAL   29  QG2 ASN   30  H    5.50      QQG MET   51  QB   7.94       995
NOEUPP  VAL   29  QQG MET   51  QG   7.94      QQG MET   51  QE   7.56       996
NOEUPP  ASN   30  H   ASN   30 1HB   3.90      H   ASN   30 2HB   3.90       997
NOEUPP  ASN   30  H   ASN   30  QB   3.50      H   FMN  123 *HO3  4.00       998
NOEUPP  ASN   30  HA  ASN   30  QB   2.75      HA  ASN   30  QD2  4.77       999
NOEUPP  ASN   30  HA  THR   31  H    2.50      HA  MET   51  QE   5.50      1000
NOEUPP  ASN   30 1HB  THR   31  H    3.90     2HB  THR   31  H    3.90      1001
NOEUPP  ASN   30  QB  THR   31  H    3.70      QB  FMN  123  H9   4.48      1002
NOEUPP  ASN   30  QD2 THR   67  HG1  5.17                                   1003
NOEUPP  THR   31  H   FMN  123  H6   3.90      HA  THR   31  HB   2.70      1004
NOEUPP  THR   31  HA  THR   31  HG1  3.00      HA  TRP   32  H    3.00      1005
NOEUPP  THR   31  HA  TRP   32  HD1  4.50      HA  TYR   35  CG   6.50      1006
NOEUPP  THR   31  HA  FMN  123  H6   2.50      HB  TRP   32  H    4.10      1007
NOEUPP  THR   31  HB  MET   51  QE   5.50      HB  FMN  123  H6   4.80      1008
NOEUPP  THR   31  QG2 TRP   32  H    4.50      QG2 MET   66  QE   5.20      1009
NOEUPP  THR   31  OG1 FMN  123  O4*  3.00      HG1 TRP   32  H    3.30      1010
NOEUPP  THR   31  HG1 TYR   35  CG   6.20      HG1 TYR   35  CZ   6.50      1011
NOEUPP  THR   31  HG1 VAL   46  QQG  7.06      HG1 FMN  123  O4*  2.00      1012
NOEUPP  THR   31  HG1 FMN  123  H6   4.50                                   1013
NOEUPP  TRP   32  H   TRP   32 1HB   3.80      H   TRP   32 2HB   3.80      1014
NOEUPP  TRP   32  H   TRP   32  QB   3.26      H   TRP   32  HD1  4.10      1015
NOEUPP  TRP   32  H   FMN  123  H6   3.60      HA  TRP   32  HE3  3.80      1016
NOEUPP  TRP   32  HA  ASN   33  H    2.80      HA  FMN  123  H6   4.90      1017
NOEUPP  TRP   32 1HB  SER   34  H    3.70     2HB  SER   34  H    3.70      1018
NOEUPP  TRP   32  QB  TRP   32  HD1  3.52      QB  TRP   32  HE3  3.61      1019
NOEUPP  TRP   32  QB  ASN   33  H    4.28      QB  TYR   35  CG   7.38      1020
NOEUPP  TRP   32  QB  TYR   35  CZ   7.38      HD1 TYR   35  CG   6.50      1021
NOEUPP  TRP   32  HD1 TYR   35  CZ   5.60      HD1 FMN  123  H6   2.60      1022
NOEUPP  TRP   32  HE3 ASN   33  H    4.50      HE1 FMN  123  H6   3.00      1023
NOEUPP  TRP   32  HE1 FMN  123  Q7M  3.50      HZ3 ARG   71  QG   5.38      1024
NOEUPP  TRP   32  HZ2 FMN  123  H6   6.00      HZ2 FMN  123  Q7M  4.00      1025
NOEUPP  TRP   32  HH2 ARG   71  QG   5.38      HH2 ARG   71  QD   5.50      1026
NOEUPP  TRP   32  O   TYR   35  N    3.00      O   TYR   35  H    2.00      1027
NOEUPP  ASN   33  H   ASN   33  QB   3.68      H   SER   34  H    3.50      1028
NOEUPP  ASN   33  HA  ASN   33  QD2  4.77      HA  TYR   35  H    3.80      1029
NOEUPP  ASN   33  HA  LEU   36  HG   4.50      QB  SER   34  H    4.28      1030
NOEUPP  ASN   33  QD2 GLY   69  H    5.37      O   LEU   36  N    3.00      1031
NOEUPP  ASN   33  O   LEU   36  H    2.00                                   1032
NOEUPP  SER   34  H   SER   34 1HB   4.00      H   SER   34 2HB   4.00      1033
NOEUPP  SER   34  H   TYR   35  H    3.30      HA  TYR   35  H    3.40      1034
NOEUPP  TYR   35  H   TYR   35 1HB   3.90      H   TYR   35 2HB   3.90      1035
NOEUPP  TYR   35  H   TYR   35  QB   3.28      H   LEU   36  H    2.70      1036
NOEUPP  TYR   35  H   LEU   36  HG   4.50      HA  PHE  104  CZ   6.30      1037
NOEUPP  TYR   35  HA  TRP  106  HZ2  4.50     1HB  PRO   47 1HD   6.25      1038
NOEUPP  TYR   35 1HB  PRO   47 2HD   6.25     2HB  PRO   47 1HD   6.25      1039
NOEUPP  TYR   35 2HB  PRO   47 2HD   6.25      QB  PRO   47  QG   6.25      1040
NOEUPP  TYR   35  QB  PRO   47  QD   5.11      CG  PRO   47 1HG   6.50      1041
NOEUPP  TYR   35  CG  PRO   47 2HG   6.50      CG  PRO   47  QD   7.38      1042
NOEUPP  TYR   35  CG  PHE  104  CZ   8.50      CG  TRP  106  HZ3  6.50      1043
NOEUPP  TYR   35  CG  TRP  106  HZ2  6.50                                   1044
NOEUPP  LEU   36  H   LEU   36  QB   3.41      H   LEU   36  HG   2.80      1045
NOEUPP  LEU   36  H   LEU   36  QD1  5.50      H   LEU   36  QD2  5.50      1046
NOEUPP  LEU   36  HA  LEU   36  HG   4.00      HA  LEU   36  QD1  4.60      1047
NOEUPP  LEU   36  HA  LEU   36  QD2  4.60      HA  LEU   36  QQD  3.82      1048
NOEUPP  LEU   36  HA  LYS   37  H    2.50      HA  VAL   45  QQG  7.06      1049
NOEUPP  LEU   36  HA  PHE  104  HZ   4.50      QB  LYS   37  H    4.18      1050
NOEUPP  LEU   36  QQD LYS   37  H    6.97                                   1051
NOEUPP  LYS   37  N   VAL   45  O    3.00      H   LYS   37  QB   3.50      1052
NOEUPP  LYS   37  H   VAL   45  H    3.40      H   VAL   45  O    2.00      1053
NOEUPP  LYS   37  HA  LYS   37 1HB   2.80      HA  LYS   37 2HB   2.80      1054
NOEUPP  LYS   37  HA  VAL   38  H    2.30      HA  VAL   38  QQG  6.90      1055
NOEUPP  LYS   37 1HB  VAL   38  H    4.40     2HB  VAL   38  H    4.40      1056
NOEUPP  LYS   37  QB  LYS   37  QE   6.28      QB  VAL   38  H    4.21      1057
NOEUPP  LYS   37  QG  VAL   38  H    5.38      QE  LEU   39  QQD  8.07      1058
NOEUPP  LYS   37  QE  ALA  100  QB   6.50      O   VAL   45  N    3.00      1059
NOEUPP  LYS   37  O   VAL   45  H    2.00                                   1060
NOEUPP  VAL   38  H   VAL   38  HB   2.80      HA  LEU   39  H    2.40      1061
NOEUPP  VAL   38  HA  ILE   44  HA   3.80      HA  ILE   44  QG2  5.50      1062
NOEUPP  VAL   38  HA  VAL   45  H    4.00      HB  ILE   44  QG2  5.50      1063
NOEUPP  VAL   38  QQG LEU   39  H    6.40                                   1064
NOEUPP  LEU   39  N   ARG   43  O    3.00      H   LEU   39  QB   3.62      1065
NOEUPP  LEU   39  H   LEU   39  HG   3.90      H   LEU   39  QD1  5.50      1066
NOEUPP  LEU   39  H   LEU   39  QD2  5.50      H   ARG   43  H    4.20      1067
NOEUPP  LEU   39  H   ARG   43  O    2.00      H   ILE   44  HA   3.90      1068
NOEUPP  LEU   39  HA  LEU   39  HG   3.80      HA  LEU   39  QD1  5.50      1069
NOEUPP  LEU   39  HA  LEU   39  QD2  5.50      HA  ASP   40  H    2.70      1070
NOEUPP  LEU   39  QB  ASP   40  H    4.58      QD1 GLU   97  HA   5.50      1071
NOEUPP  LEU   39  QD2 GLU   97  HA   5.50      QQD ASP   40  H    7.07      1072
NOEUPP  LEU   39  QQD GLU   97  HA   5.17                                   1073
NOEUPP  ASP   40  H   ASP   40  HA   2.80      H   ASP   40  QB   3.76      1074
NOEUPP  ASP   40  HA  ASP   40  QB   2.75      HA  GLY   41  H    3.20      1075
NOEUPP  ASP   40  O   ARG   43  N    3.00      O   ARG   43  H    2.00      1076
NOEUPP  GLY   41  H   ASN   42  H    3.80                                   1077
NOEUPP  ASN   42  H   ASN   42  HA   2.70      H   ARG   43  H    3.00      1078
NOEUPP  ASN   42  HA  ASN   42 1HB   2.80      HA  ASN   42 2HB   2.80      1079
NOEUPP  ASN   42  HA  ARG   43  H    3.60      QD2 ARG   43  H    5.37      1080
NOEUPP  ARG   43  H   ARG   43  QB   3.86      H   ARG   43  QG   5.50      1081
NOEUPP  ARG   43  HA  ILE   44  H    2.40      HA  VAL  112  QQG  6.90      1082
NOEUPP  ARG   43  HA  THR  114  HA   2.90      HA  THR  114  QG2  5.50      1083
NOEUPP  ARG   43  HA  VAL  115  H    3.50      QG  THR  114  HA   5.30      1084
NOEUPP  ARG   43  QD  VAL  112  QQG  7.78                                   1085
NOEUPP  ILE   44  N   ILE  113  O    3.00      H   ILE   44  HB   2.80      1086
NOEUPP  ILE   44  H   ILE   44 1HG1  4.00      H   ILE   44 2HG1  4.00      1087
NOEUPP  ILE   44  H   ILE   44  QG1  3.70      H   ILE   44  QD1  5.50      1088
NOEUPP  ILE   44  H   VAL  112  QQG  6.90      H   ILE  113  H    3.60      1089
NOEUPP  ILE   44  H   ILE  113  HB   4.50      H   ILE  113  O    2.00      1090
NOEUPP  ILE   44  H   THR  114  HA   3.90      HA  ILE   44  QG1  3.71      1091
NOEUPP  ILE   44  HA  VAL   45  H    2.50      HB  ILE  113  H    4.50      1092
NOEUPP  ILE   44  QG2 VAL   45  H    5.10      QG2 MET   66  QE   5.80      1093
NOEUPP  ILE   44  QG1 VAL  115  HB   5.38      O   ILE  113  N    3.00      1094
NOEUPP  ILE   44  O   ILE  113  H    2.00                                   1095
NOEUPP  VAL   45  H   VAL   45  HB   2.80      H   VAL   45  QQG  4.34      1096
NOEUPP  VAL   45  H   MET   66  QE   5.50      HA  VAL   46  H    2.40      1097
NOEUPP  VAL   45  HA  VAL  112  HA   2.90      HA  VAL  112  QQG  6.90      1098
NOEUPP  VAL   45  HA  ILE  113  H    3.60      HB  VAL   46  H    4.10      1099
NOEUPP  VAL   45  QG1 VAL   46  H    5.50      QG1 GLU   97  HA   5.50      1100
NOEUPP  VAL   45  QG1 ILE  113  H    5.50      QG2 VAL   46  H    5.50      1101
NOEUPP  VAL   45  QG2 GLU   97  HA   5.50      QG2 ILE  113  H    5.50      1102
NOEUPP  VAL   45  QQG VAL   46  H    4.78      QQG ALA  110  HA   7.06      1103
NOEUPP  VAL   46  N   LEU  111  O    3.00      H   VAL   46  HB   2.90      1104
NOEUPP  VAL   46  H   ALA  110  HA   4.30      H   LEU  111  H    3.70      1105
NOEUPP  VAL   46  H   LEU  111  QB   5.38      H   LEU  111  O    2.00      1106
NOEUPP  VAL   46  HA  PRO   47 1HD   4.00      HA  PRO   47 2HD   4.00      1107
NOEUPP  VAL   46  HA  PRO   47  QD   3.61      HA  LEU  111  QQD  7.07      1108
NOEUPP  VAL   46  HB  LEU  111  H    4.40      HB  LEU  111  QB   4.58      1109
NOEUPP  VAL   46  HB  LEU  111  QQD  6.77      QG1 PRO   47 1HD   8.62      1110
NOEUPP  VAL   46  QG1 PRO   47 2HD   8.62      QG2 PRO   47 1HD   8.62      1111
NOEUPP  VAL   46  QG2 PRO   47 2HD   8.62      QQG PRO   47  QD   7.01      1112
NOEUPP  VAL   46  QQG MET   51  QE   6.96      QQG LEU  111  H    7.06      1113
NOEUPP  VAL   46  QQG LEU  111  QQD  9.63      QQG FMN  123  HN3  6.56      1114
NOEUPP  VAL   46  O   LEU  111  N    3.00      O   LEU  111  H    2.00      1115
NOEUPP  PRO   47  HA  VAL   48  H    2.50      HA  VAL   48  QQG  6.90      1116
NOEUPP  PRO   47  HA  ILE  101  QD1  4.60      HA  TRP  106  HZ3  4.60      1117
NOEUPP  PRO   47  HA  ALA  110  HA   4.00      HA  FMN  123  HN3  5.40      1118
NOEUPP  PRO   47 1HB  ILE  101  HB   4.50     1HB  TRP  106  HZ3  4.50      1119
NOEUPP  PRO   47 1HB  TRP  106  HH2  4.50     2HB  ILE  101  HB   4.50      1120
NOEUPP  PRO   47 2HB  TRP  106  HZ3  4.50     2HB  TRP  106  HH2  4.50      1121
NOEUPP  PRO   47  QB  VAL   48  H    4.35      QB  ILE  101  HB   4.12      1122
NOEUPP  PRO   47  QB  PHE  104  CZ   7.28      QB  TRP  106  HZ3  3.98      1123
NOEUPP  PRO   47  QB  TRP  106  HH2  3.98      QB  FMN  123  HN3  5.88      1124
NOEUPP  PRO   47  QG  TRP  106  HH2  4.28      QG  FMN  123  HN3  5.88      1125
NOEUPP  PRO   47  QD  ILE  101  QG2  6.38      QD  PHE  104  CZ   7.38      1126
NOEUPP  PRO   47  QD  TRP  106  HH2  5.38      O   FMN  123  N3   3.00      1127
NOEUPP  PRO   47  O   FMN  123  HN3  2.00                                   1128
NOEUPP  VAL   48  N   ALA  109  O    3.00      H   VAL   48  HB   3.20      1129
NOEUPP  VAL   48  H   ILE  101  QD1  5.50      H   ALA  107  QB   5.30      1130
NOEUPP  VAL   48  H   ALA  109  O    2.00      H   ALA  110  HA   3.60      1131
NOEUPP  VAL   48  HA  VAL   48  HB   2.80      HA  GLY   49  H    2.60      1132
NOEUPP  VAL   48  HA  MET   51  H    4.00      HA  MET   51  QE   5.50      1133
NOEUPP  VAL   48  HA  TRP  106  HZ3  4.50      HA  FMN  123  HN3  2.70      1134
NOEUPP  VAL   48  HB  ALA  109  QB   5.00      QQG GLY   49  H    6.90      1135
NOEUPP  VAL   48  QQG GLY   50  H    6.90      QQG MET   51 1HB   6.90      1136
NOEUPP  VAL   48  QQG MET   51 2HB   6.90      QQG MET   51  QB   6.69      1137
NOEUPP  VAL   48  QQG MET   51  QG   7.78      QQG MET   51  QE   7.90      1138
NOEUPP  VAL   48  QQG PHE   91  CG   8.90      QQG ARG  108  QB   7.78      1139
NOEUPP  VAL   48  QQG ALA  109  H    6.90      QQG ALA  110  HA   6.90      1140
NOEUPP  VAL   48  QQG LEU  111  H    6.90      QQG FMN  123  HN3  6.00      1141
NOEUPP  GLY   49  N   FMN  123  O2*  3.00      H   GLY   50  H    2.90      1142
NOEUPP  GLY   49  H   TRP  106  HE3  4.50      H   TRP  106  HZ3  4.10      1143
NOEUPP  GLY   49  H   FMN  123  O2*  2.00      H   FMN  123  HN3  2.90      1144
NOEUPP  GLY   49 1HA  TRP  106  HE3  4.00     1HA  TRP  106  HZ3  4.50      1145
NOEUPP  GLY   49 2HA  TRP  106  HE3  4.00     2HA  TRP  106  HZ3  4.50      1146
NOEUPP  GLY   49  QA  MET   51  H    4.78      QA  TRP  106  HE3  3.75      1147
NOEUPP  GLY   49  QA  FMN  123  HN3  5.38                                   1148
NOEUPP  GLY   50  N   FMN  123  O2*  3.00      H   MET   51  H    4.00      1149
NOEUPP  GLY   50  H   FMN  123  O2*  2.00      H   FMN  123 *HO2  3.50      1150
NOEUPP  GLY   50 1HA  MET   51  H    3.60     2HA  MET   51  H    3.60      1151
NOEUPP  GLY   50  QA  MET   51  H    3.15      QA  FMN  123 *HO2  5.88      1152
NOEUPP  MET   51  H   MET   51  HA   2.90      H   MET   51 1HB   3.70      1153
NOEUPP  MET   51  H   MET   51 2HB   3.70      H   MET   51  QB   3.44      1154
NOEUPP  MET   51  H   MET   51  QG   4.58      H   HIS   52  H    4.20      1155
NOEUPP  MET   51  H   FMN  123 *HO2  4.00      HA  MET   51 1HG   4.20      1156
NOEUPP  MET   51  HA  MET   51 2HG   4.20      HA  MET   51  QG   4.01      1157
NOEUPP  MET   51  HA  HIS   52  H    3.20      HA  THR   54  H    4.10      1158
NOEUPP  MET   51  HA  THR   54  HB   4.30      QB  FMN  123 *HO2  5.38      1159
NOEUPP  MET   51  QG  THR   54  HB   5.38      QG  FMN  123 *HO2  4.88      1160
NOEUPP  MET   51  QE  FMN  123  HN3  4.00      QE  FMN  123 *HO2  4.80      1161
NOEUPP  MET   51  QE  FMN  123  H3*  4.00      QE  FMN  123  H4*  4.00      1162
NOEUPP  MET   51  O   GLU   55  N    3.00      O   GLU   55  H    2.00      1163
NOEUPP  HIS   52  H   HIS   52 1HB   4.10      H   HIS   52 2HB   4.10      1164
NOEUPP  HIS   52  H   HIS   52  QB   3.48      H   HIS   52  HD2  4.50      1165
NOEUPP  HIS   52  H   LYS   53  H    2.90      HA  GLU   55  H    3.70      1166
NOEUPP  HIS   52  HA  GLU   55  QB   4.48      HA  ALA   56  H    4.40      1167
NOEUPP  HIS   52 1HB  HIS   52  HD2  4.00     1HB  LYS   53  H    4.10      1168
NOEUPP  HIS   52 2HB  HIS   52  HD2  4.00     2HB  LYS   53  H    4.10      1169
NOEUPP  HIS   52  QB  LYS   53  H    3.62      HD2 GLU   55  QB   5.38      1170
NOEUPP  HIS   52  O   ALA   56  N    3.00      O   ALA   56  H    2.00      1171
NOEUPP  LYS   53  H   LYS   53  QB   3.60      H   THR   54  H    3.10      1172
NOEUPP  LYS   53  HA  LYS   53 1HG   3.90      HA  LYS   53 2HG   3.90      1173
NOEUPP  LYS   53  HA  LYS   53  QG   3.50      HA  LYS   53  QD   4.80      1174
NOEUPP  LYS   53  HA  ALA   56  H    3.50      HA  ASN   57  H    3.90      1175
NOEUPP  LYS   53  QB  THR   54  H    5.10      QE  ASN   57  QD2  6.37      1176
NOEUPP  LYS   53  O   ASN   57  N    3.00      O   ASN   57  H    2.00      1177
NOEUPP  THR   54  H   THR   54  HB   3.10      H   GLU   55  H    3.60      1178
NOEUPP  THR   54  HA  ASN   57  H    3.80      HA  ASN   57 1HB   3.50      1179
NOEUPP  THR   54  HA  ASN   57 2HB   3.50      HA  ASN   57  QB   3.19      1180
NOEUPP  THR   54  HA  ASN   57  QD2  5.37      HA  VAL   58  H    4.40      1181
NOEUPP  THR   54  HB  GLU   55  H    3.60      QG2 GLU   55  H    5.50      1182
NOEUPP  THR   54  QG2 PHE   91  CG   7.50      QG2 PHE   91  CZ   7.50      1183
NOEUPP  THR   54  HG1 ASN   57  QD2  4.97      O   VAL   58  N    3.00      1184
NOEUPP  THR   54  O   VAL   58  H    2.00                                   1185
NOEUPP  GLU   55  H   GLU   55 1HB   3.00      H   GLU   55 2HB   3.00      1186
NOEUPP  GLU   55  H   GLU   55  QB   2.77      H   ALA   56  H    3.20      1187
NOEUPP  GLU   55  H   PHE   91  CZ   6.50      HA  VAL   58  H    4.30      1188
NOEUPP  GLU   55  HA  VAL   58  QQG  7.06      HA  ALA   59  H    4.10      1189
NOEUPP  GLU   55  HA  PHE   91  CG   5.60      HA  PHE   91  CZ   6.50      1190
NOEUPP  GLU   55 1HB  PHE   91  CG   6.50     2HB  PHE   91  CG   6.50      1191
NOEUPP  GLU   55  QB  ALA   56  H    3.68      QB  PHE   91  CZ   7.38      1192
NOEUPP  GLU   55  QG  PHE   91  CG   7.50      O   ALA   59  N    3.00      1193
NOEUPP  GLU   55  O   ALA   59  H    2.00                                   1194
NOEUPP  ALA   56  H   ALA   56  QB   3.50      H   ASN   57  H    3.00      1195
NOEUPP  ALA   56  H   PHE   91  CZ   6.50      HA  ASN   57  H    3.60      1196
NOEUPP  ALA   56  HA  ALA   59  H    3.70      HA  ALA   59  QB   4.10      1197
NOEUPP  ALA   56  HA  ARG   60  H    4.30      QB  ASN   57  H    4.30      1198
NOEUPP  ALA   56  O   ARG   60  N    3.00      O   ARG   60  H    2.00      1199
NOEUPP  ASN   57  H   ASN   57  HA   2.90      H   ASN   57  QB   3.63      1200
NOEUPP  ASN   57  H   VAL   58  H    3.20      HA  VAL   58  H    3.60      1201
NOEUPP  ASN   57  HA  ARG   60  H    3.80      HA  ARG   60  QB   5.40      1202
NOEUPP  ASN   57  HA  ASP   61  H    4.00      QB  VAL   58  H    4.18      1203
NOEUPP  ASN   57  O   ASP   61  N    3.00      O   ASP   61  H    2.00      1204
NOEUPP  VAL   58  H   VAL   58  HA   2.90      H   VAL   58  HB   2.60      1205
NOEUPP  VAL   58  H   VAL   58  QQG  4.15      H   ALA   59  H    3.00      1206
NOEUPP  VAL   58  HA  VAL   58  QG1  3.70      HA  VAL   58  QG2  3.70      1207
NOEUPP  VAL   58  HA  ASP   61  H    3.70      HA  GLU   62  HA   3.70      1208
NOEUPP  VAL   58  HB  ALA   59  H    3.30      HB  ALA   89  QB   5.50      1209
NOEUPP  VAL   58  HB  PHE   91  CG   5.60      QG1 ALA   59  H    5.50      1210
NOEUPP  VAL   58  QG1 ALA   89  QB   4.30      QG1 ALA   90  HA   5.50      1211
NOEUPP  VAL   58  QG1 PHE   91  CG   7.20      QG1 LEU  111  QD1  9.24      1212
NOEUPP  VAL   58  QG1 LEU  111  QD2  9.24      QG2 ALA   59  H    5.50      1213
NOEUPP  VAL   58  QG2 ALA   89  QB   4.30      QG2 ALA   90  HA   5.50      1214
NOEUPP  VAL   58  QG2 PHE   91  CG   7.20      QG2 LEU  111  QD1  9.24      1215
NOEUPP  VAL   58  QG2 LEU  111  QD2  9.24      QQG ALA   90  HA   4.26      1216
NOEUPP  VAL   58  QQG PHE   91  H    7.06      QQG PHE   91  CG   6.58      1217
NOEUPP  VAL   58  QQG PHE   91  CZ   9.06      QQG PHE   91  HZ   5.86      1218
NOEUPP  VAL   58  QQG LEU  111  QQD  7.26                                   1219
NOEUPP  ALA   59  H   ALA   59  HA   2.90      H   ALA   59  QB   3.40      1220
NOEUPP  ALA   59  H   ARG   60  H    3.00                                   1221
NOEUPP  ARG   60  H   ARG   60  HA   2.90      H   ARG   60  QB   3.70      1222
NOEUPP  ARG   60  H   ARG   60  QG   4.78      H   ASP   61  H    2.50      1223
NOEUPP  ARG   60  HA  ARG   60 1HG   3.80      HA  ARG   60 2HG   3.80      1224
NOEUPP  ARG   60  QB  ASP   61  H    4.50      HE  ASP   61  H    4.50      1225
NOEUPP  ASP   61  H   ASP   61 1HB   3.50      H   ASP   61 2HB   3.50      1226
NOEUPP  ASP   61  H   ASP   61  QB   3.29      HA  GLU   62  H    2.50      1227
NOEUPP  GLU   62  H   GLU   62 1HB   4.20      H   GLU   62 2HB   4.20      1228
NOEUPP  GLU   62  H   GLU   62  QB   3.46      H   GLU   62  QG   4.50      1229
NOEUPP  GLU   62  H   ARG   63  H    3.30      HA  GLU   62 1HB   2.60      1230
NOEUPP  GLU   62  HA  GLU   62 2HB   2.60      HA  ALA   89  QB   5.50      1231
NOEUPP  GLU   62 1HB  SER   88  QB   5.50     1HB  ALA   89  H    4.50      1232
NOEUPP  GLU   62 2HB  SER   88  QB   5.50     2HB  ALA   89  H    4.50      1233
NOEUPP  GLU   62  QB  SER   88  HA   5.18      QB  ALA   89  H    4.12      1234
NOEUPP  GLU   62  QB  ALA   89  QB   6.38      QG  ARG   63  H    5.50      1235
NOEUPP  GLU   62  O   ALA   89  N    3.00      O   ALA   89  H    2.00      1236
NOEUPP  ARG   63  H   ARG   63  QB   3.59      H   ARG   63  QG   3.98      1237
NOEUPP  ARG   63  H   ARG   63  HE   4.10      HA  ARG   63  QG   3.77      1238
NOEUPP  ARG   63  HA  ARG   63 1HD   4.50      HA  ARG   63 2HD   4.50      1239
NOEUPP  ARG   63  HA  ARG   63  HE   4.10      HA  VAL   64  H    2.50      1240
NOEUPP  ARG   63  HA  SER   88  HA   3.20      QB  ARG   63  HE   4.18      1241
NOEUPP  ARG   63  QB  VAL   64  H    4.48     1HG  ARG   63  HE   3.50      1242
NOEUPP  ARG   63 2HG  ARG   63  HE   3.50      QG  ARG   63  HE   3.19      1243
NOEUPP  VAL   64  N   GLY   87  O    3.00      H   GLY   87  O    2.00      1244
NOEUPP  VAL   64  H   SER   88  HA   3.30      HA  VAL   64  HB   2.70      1245
NOEUPP  VAL   64  HA  LEU   65  H    2.30      HA  LEU   65  QQD  7.07      1246
NOEUPP  VAL   64  QG1 LEU   65  H    5.50      QG1 ALA   89  H    5.50      1247
NOEUPP  VAL   64  QG2 LEU   65  H    5.50      QG2 ALA   89  H    5.50      1248
NOEUPP  VAL   64  QQG GLY   87  H    7.06      QQG SER   88  HA   7.06      1249
NOEUPP  VAL   64  QQG ILE  113  HA   7.06      O   GLY   87  N    3.00      1250
NOEUPP  VAL   64  O   GLY   87  H    2.00                                   1251
NOEUPP  LEU   65  H   LEU   65 1HB   3.60      H   LEU   65 2HB   3.60      1252
NOEUPP  LEU   65  H   LEU   65  QB   3.29      H   LEU   65  QQD  7.07      1253
NOEUPP  LEU   65  HA  LEU   65  HG   3.20      HA  MET   66  H    2.40      1254
NOEUPP  LEU   65  HA  ARG   86  HA   2.80      HA  GLY   87  H    3.50      1255
NOEUPP  LEU   65  QB  MET   66  H    4.78      HG  MET   66  H    4.50      1256
NOEUPP  LEU   65  HG  ILE   85  H    4.50      QQD LEU   84  HA   7.07      1257
NOEUPP  LEU   65  QQD LEU   84  QB   7.95      QQD ARG   86  HA   6.57      1258
NOEUPP  MET   66  N   ILE   85  O    3.00      H   MET   66 1HB   4.00      1259
NOEUPP  MET   66  H   MET   66 2HB   4.00      H   MET   66  QB   3.51      1260
NOEUPP  MET   66  H   LEU   84  QQD  7.07      H   ILE   85  H    3.20      1261
NOEUPP  MET   66  H   ILE   85  HB   3.90      H   ILE   85  QG2  5.50      1262
NOEUPP  MET   66  H   ILE   85  O    2.00      H   ARG   86  HA   3.50      1263
NOEUPP  MET   66  HA  MET   66  QB   2.76      HA  MET   66  QG   4.02      1264
NOEUPP  MET   66  HA  THR   67  H    2.40     1HG  THR   67  H    4.50      1265
NOEUPP  MET   66 2HG  THR   67  H    4.50      QG  VAL  115  QQG  7.94      1266
NOEUPP  MET   66  QE  VAL  115  QQG  7.36      O   ILE   85  N    3.00      1267
NOEUPP  MET   66  O   ILE   85  H    2.00                                   1268
NOEUPP  THR   67  H   THR   67  QG2  4.90      H   THR   67  HG1  3.80      1269
NOEUPP  THR   67  HA  THR   67  HB   2.70      HA  LEU   68  H    2.40      1270
NOEUPP  THR   67  HA  LEU   84  HA   3.20      HA  LEU   84  QQD  7.07      1271
NOEUPP  THR   67  HA  ILE   85  H    3.70      HB  LEU   68  H    3.90      1272
NOEUPP  THR   67  QG2 LEU   68  H    5.50                                   1273
NOEUPP  LEU   68  N   PHE   83  O    3.00      H   LEU   68  QB   3.41      1274
NOEUPP  LEU   68  H   LEU   68  QD1  5.50      H   LEU   68  QD2  5.50      1275
NOEUPP  LEU   68  H   LEU   68  QQD  4.87      H   PHE   83  H    3.80      1276
NOEUPP  LEU   68  H   PHE   83  O    2.00      HA  GLY   69  H    2.90      1277
NOEUPP  LEU   68 1HB  GLY   69  H    3.90     2HB  GLY   69  H    3.90      1278
NOEUPP  LEU   68  QB  GLY   69  H    3.46      HG  PHE   83  CZ   6.50      1279
NOEUPP  LEU   68  QD1 PHE   83 1HB   8.64      QD1 PHE   83 2HB   8.64      1280
NOEUPP  LEU   68  QD2 PHE   83 1HB   8.64      QD2 PHE   83 2HB   8.64      1281
NOEUPP  LEU   68  QQD PHE   83  H    7.07      QQD PHE   83  QB   6.96      1282
NOEUPP  LEU   68  QQD PHE   83  CG   9.07      QQD PHE   83  CZ   9.07      1283
NOEUPP  LEU   68  O   PHE   83  N    3.00      O   PHE   83  H    2.00      1284
NOEUPP  GLY   69 1HA  SER   70  H    3.20     2HA  SER   70  H    3.20      1285
NOEUPP  GLY   69  QA  SER   70  H    2.93      QA  THR   81  QG2  6.38      1286
NOEUPP  GLY   69  QA  PHE   83  CG   7.38                                   1287
NOEUPP  SER   70  H   SER   70  QB   3.91      H   GLY   80  QA   5.08      1288
NOEUPP  SER   70  H   THR   81  H    3.20      HA  ARG   71  H    3.30      1289
NOEUPP  SER   70  QB  VAL   73  QQG  7.94      QB  THR   81  QG2  6.38      1290
NOEUPP  ARG   71  H   ARG   71  QG   4.68      H   ARG   71  QD   5.50      1291
NOEUPP  ARG   71  HA  ARG   71  QG   3.87                                   1292
NOEUPP  LYS   72  H   LYS   72  QB   3.54      H   LYS   72 1HG   4.50      1293
NOEUPP  LYS   72  H   LYS   72 2HG   4.50      H   VAL   73  H    2.90      1294
NOEUPP  LYS   72  HA  LYS   72  QB   2.69      HA  LYS   72  QG   3.80      1295
NOEUPP  LYS   72  HA  VAL   73  H    3.40      QB  LYS   72  QE   6.38      1296
NOEUPP  LYS   72  QB  VAL   73  H    5.18                                   1297
NOEUPP  VAL   73  H   VAL   73  HB   3.10      H   VAL   73  QQG  4.34      1298
NOEUPP  VAL   73  H   THR   81  H    3.40      HA  VAL   73  QG1  3.70      1299
NOEUPP  VAL   73  HA  VAL   73  QG2  3.70      HA  ALA   74  H    2.40      1300
NOEUPP  VAL   73  HA  ALA   74  QB   5.30      HB  ALA   74  H    4.00      1301
NOEUPP  VAL   73  QG1 ALA   74  H    5.50      QG2 ALA   74  H    5.50      1302
NOEUPP  VAL   73  QQG ALA   74  H    4.64                                   1303
NOEUPP  ALA   74  H   ALA   74  QB   3.50      HA  GLY   75  H    2.70      1304
NOEUPP  ALA   74  HA  GLY   80  H    3.00      QB  PRO   79  HA   5.50      1305
NOEUPP  ALA   74  QB  GLY   80  H    5.50                                   1306
NOEUPP  GLY   75  H   ARG   76  H    3.80      H   PRO   79  HA   3.00      1307
NOEUPP  GLY   75  H   GLY   80  H    3.00      H   THR   81  HB   4.50      1308
NOEUPP  GLY   75  H   THR   81  QG2  5.50      H   THR   81  HG1  4.50      1309
NOEUPP  GLY   75 1HA  ARG   76  H    3.60     2HA  ARG   76  H    3.60      1310
NOEUPP  GLY   75  QA  THR   81  HG1  5.38                                   1311
NOEUPP  ARG   76  H   ARG   76  QB   3.59      H   ARG   76  QG   4.18      1312
NOEUPP  ARG   76  H   ASN   77  H    3.20      H   THR   81  HB   4.50      1313
NOEUPP  ARG   76  HA  ARG   76  QB   2.70      HA  ARG   76 1HG   3.90      1314
NOEUPP  ARG   76  HA  ARG   76 2HG   3.90      HA  ARG   76  QG   3.50      1315
NOEUPP  ARG   76  HA  ASN   77  H    3.60     1HB  ASN   77  H    3.70      1316
NOEUPP  ARG   76 2HB  ASN   77  H    3.70                                   1317
NOEUPP  ASN   77  H   ASN   77 1HB   3.60      H   ASN   77 2HB   3.60      1318
NOEUPP  ASN   77  H   ASN   77  QB   3.24      HA  GLY   78  H    3.10      1319
NOEUPP  PRO   79  HA  GLY   80  H    2.60      QB  GLY   80  H    4.40      1320
NOEUPP  GLY   80  H   GLY   80 1HA   2.90      H   GLY   80 2HA   2.90      1321
NOEUPP  GLY   80  QA  THR   81  H    3.04      QA  LEU  122  QQD  7.95      1322
NOEUPP  THR   81  H   THR   81  HB   3.90      H   THR   81  QG2  4.90      1323
NOEUPP  THR   81  HA  THR   81  HB   3.00      HA  THR   81  HG1  3.10      1324
NOEUPP  THR   81  HA  GLY   82  H    2.90      HA  LEU  122  HG   4.50      1325
NOEUPP  THR   81  HA  LEU  122  QQD  6.47      HB  GLY   82  H    3.90      1326
NOEUPP  THR   81  QG2 GLY   82  H    5.50      QG2 PHE   83  CG   7.50      1327
NOEUPP  THR   81  QG2 PHE   83  CZ   7.50      QG2 LEU  122  QQD  8.07      1328
NOEUPP  THR   81  HG1 GLY   82  H    4.30                                   1329
NOEUPP  GLY   82  H   PHE   83  CZ   6.50      H   GLN  120  QE2  5.37      1330
NOEUPP  GLY   82  H   LEU  122  QB   5.38     1HA  PHE   83  H    3.20      1331
NOEUPP  GLY   82 2HA  PHE   83  H    3.20      QA  PHE   83  CG   7.38      1332
NOEUPP  PHE   83  H   PHE   83  QB   3.57      HA  LEU   84  H    2.40      1333
NOEUPP  PHE   83  HA  GLN  120  HA   2.80      HA  THR  121  H    3.00      1334
NOEUPP  PHE   83  HA  THR  121  QG2  5.50     1HB  ILE   85  QD1  5.50      1335
NOEUPP  PHE   83 2HB  ILE   85  QD1  5.50      QB  LEU   84  H    4.08      1336
NOEUPP  PHE   83  QB  ILE   85  QD1  5.28      QB  GLU  119  H    5.38      1337
NOEUPP  PHE   83  CG  LEU   84  H    6.50      CG  GLU  119  H    6.50      1338
NOEUPP  PHE   83  CG  GLN  120  HA   6.50      CZ  GLN  120  HA   6.50      1339
NOEUPP  PHE   83  CZ  GLN  120 1HB   6.50      CZ  GLN  120 2HB   6.50      1340
NOEUPP  PHE   83  CZ  GLN  120  QB   6.34      CZ  GLN  120 1HG   6.50      1341
NOEUPP  PHE   83  CZ  GLN  120 2HG   6.50                                   1342
NOEUPP  LEU   84  N   GLU  119  O    3.00      H   LEU   84 1HB   3.30      1343
NOEUPP  LEU   84  H   LEU   84 2HB   3.30      H   LEU   84  QB   3.08      1344
NOEUPP  LEU   84  H   LEU   84  QQD  7.07      H   GLU  119  O    2.00      1345
NOEUPP  LEU   84  H   GLN  120  HA   3.80      H   THR  121  QG2  5.30      1346
NOEUPP  LEU   84  HA  LEU   84  HG   4.00      HA  LEU   84  QD1  4.20      1347
NOEUPP  LEU   84  HA  LEU   84  QD2  4.20      HA  LEU   84  QQD  3.74      1348
NOEUPP  LEU   84  HA  ILE   85  H    2.30      QQD ILE   85  H    6.17      1349
NOEUPP  LEU   84  QQD ARG   86  QG   7.95      O   GLU  119  N    3.00      1350
NOEUPP  LEU   84  O   GLU  119  H    2.00                                   1351
NOEUPP  ILE   85  H   ILE   85  HB   3.00      H   ILE   85 1HG1  4.40      1352
NOEUPP  ILE   85  H   ILE   85 2HG1  4.40      H   ILE   85  QG1  3.88      1353
NOEUPP  ILE   85  H   ILE   85  QD1  5.50      HA  ILE   85  QG1  3.80      1354
NOEUPP  ILE   85  HA  ILE   85  QD1  4.70      HA  ARG   86  H    2.50      1355
NOEUPP  ILE   85  HA  ALA  118  HA   2.80      HA  ALA  118  QB   5.50      1356
NOEUPP  ILE   85  HA  GLU  119  H    3.50      QG2 ALA  118  H    4.40      1357
NOEUPP  ILE   85  QG1 VAL  115  QQG  6.54      QG1 ALA  118  HA   5.38      1358
NOEUPP  ILE   85  QD1 ALA  118  HA   5.50                                   1359
NOEUPP  ARG   86  H   ARG   86  QB   3.63      H   SER  117  H    3.20      1360
NOEUPP  ARG   86  HA  ARG   86  QB   2.75      HA  ARG   86  QG   3.82      1361
NOEUPP  ARG   86  HA  GLY   87  H    2.40      QB  GLY   87  H    4.48      1362
NOEUPP  ARG   86  QB  SER  117  H    5.38                                   1363
NOEUPP  GLY   87  H   VAL  115  QQG  7.06     1HA  SER   88  H    2.90      1364
NOEUPP  GLY   87 1HA  VAL  115  HA   3.80     1HA  VAL  116  H    4.20      1365
NOEUPP  GLY   87 2HA  SER   88  H    2.90     2HA  VAL  115  HA   3.80      1366
NOEUPP  GLY   87 2HA  VAL  116  H    4.20      QA  ILE  113  QG2  6.38      1367
NOEUPP  GLY   87  QA  VAL  115  HA   3.55      QA  VAL  115  QQG  7.94      1368
NOEUPP  GLY   87  QA  VAL  116  H    3.86      QA  VAL  116  QQG  7.68      1369
NOEUPP  SER   88  N   THR  114  O    3.00      H   ILE  113  QG2  5.50      1370
NOEUPP  SER   88  H   THR  114  H    3.40      H   THR  114  HB   4.10      1371
NOEUPP  SER   88  H   THR  114  O    2.00      HA  ALA   89  H    2.40      1372
NOEUPP  SER   88  QB  THR  114  H    5.50      O   THR  114  N    3.00      1373
NOEUPP  SER   88  O   THR  114  H    2.00                                   1374
NOEUPP  ALA   89  HA  ALA   90  H    2.40      HA  LEU  111  QQD  7.07      1375
NOEUPP  ALA   89  HA  ILE  113  HA   3.10      HA  ILE  113  QG2  5.50      1376
NOEUPP  ALA   89  HA  ILE  113 1HG1  4.50      HA  ILE  113 2HG1  4.50      1377
NOEUPP  ALA   89  HA  THR  114  H    3.50      QB  LEU  111  QQD  6.27      1378
NOEUPP  ALA   89  QB  ILE  113  HA   5.50                                   1379
NOEUPP  ALA   90  N   VAL  112  O    3.00      H   LEU  111  HA   4.00      1380
NOEUPP  ALA   90  H   LEU  111  QQD  6.77      H   VAL  112  H    3.10      1381
NOEUPP  ALA   90  H   VAL  112  QQG  6.90      H   VAL  112  O    2.00      1382
NOEUPP  ALA   90  H   ILE  113  HA   3.60      HA  PHE   91  H    2.50      1383
NOEUPP  ALA   90  HA  PHE   91  CG   6.50      QB  PHE   91  H    4.20      1384
NOEUPP  ALA   90  QB  VAL  112  HB   5.10      O   VAL  112  N    3.00      1385
NOEUPP  ALA   90  O   VAL  112  H    2.00                                   1386
NOEUPP  PHE   91  H   PHE   91  QB   3.40      HA  PHE   91  QB   2.76      1387
NOEUPP  PHE   91  HA  ARG   92  H    2.40      HA  ALA  109  QB   5.50      1388
NOEUPP  PHE   91  HA  LEU  111  HA   3.00      HA  LEU  111  QQD  7.07      1389
NOEUPP  PHE   91  QB  ARG   92  H    4.28      QB  ALA  109  QB   6.38      1390
NOEUPP  PHE   91  CG  ARG   92  H    6.50      CG  ALA  109  QB   6.70      1391
NOEUPP  PHE   91  CG  LEU  111  HA   6.50      CG  LEU  111  QB   7.38      1392
NOEUPP  PHE   91  CG  LEU  111  QD1  7.50      CG  LEU  111  QD2  7.50      1393
NOEUPP  PHE   91  CZ  LEU  111  QD1  7.50      CZ  LEU  111  QD2  7.50      1394
NOEUPP  PHE   91  HZ  LEU  111  QB   5.38      HZ  LEU  111  QQD  7.07      1395
NOEUPP  ARG   92  N   ALA  110  O    3.00      H   ARG   92 1HB   3.80      1396
NOEUPP  ARG   92  H   ARG   92 2HB   3.80      H   ARG   92  QB   3.36      1397
NOEUPP  ARG   92  H   ARG   92  QG   4.58      H   ALA  109  QB   5.50      1398
NOEUPP  ARG   92  H   ALA  110  H    3.30      H   ALA  110  QB   5.50      1399
NOEUPP  ARG   92  H   ALA  110  O    2.00      H   LEU  111  HA   3.80      1400
NOEUPP  ARG   92  HA  ARG   92 1HG   4.20      HA  ARG   92 2HG   4.20      1401
NOEUPP  ARG   92  HA  ARG   92 1HD   3.50      HA  ARG   92 2HD   3.50      1402
NOEUPP  ARG   92  HA  ARG   92  QD   3.29      HA  THR   93  H    2.50      1403
NOEUPP  ARG   92  HA  ASP   94  H    3.80      QB  THR   93  H    4.28      1404
NOEUPP  ARG   92  QB  ASP   94  H    4.28      QB  ALA  110  QB   6.38      1405
NOEUPP  ARG   92  QG  GLU   97  QG   6.25      QG  ALA  110  QB   6.38      1406
NOEUPP  ARG   92  O   ALA  110  N    3.00      O   ALA  110  H    2.00      1407
NOEUPP  THR   93  H   ASP   94  H    2.80      HA  ASP   94  H    3.20      1408
NOEUPP  THR   93  HA  PHE   98  CG   6.50      HA  ALA  109  HA   3.50      1409
NOEUPP  THR   93  HA  ALA  110  H    4.10      QG2 ALA  110  H    5.50      1410
NOEUPP  ASP   94  H   PHE   98  QB   4.68      HA  GLY   95  H    2.90      1411
NOEUPP  ASP   94  HA  PHE   98  QB   4.38      HA  PHE   98  CG   6.50      1412
NOEUPP  ASP   94  QB  GLY   95  H    4.10                                   1413
NOEUPP  GLY   95  QA  PHE   98  H    4.88                                   1414
NOEUPP  PRO   96  HA  GLU   99  H    3.30      HA  GLU   99  QB   4.90      1415
NOEUPP  PRO   96  HA  GLU   99  QG   5.38      HA  ALA  100  H    4.30      1416
NOEUPP  PRO   96  QG  GLU   97  H    5.50      QD  GLU   97  H    5.13      1417
NOEUPP  PRO   96  O   ALA  100  N    3.00      O   ALA  100  H    2.00      1418
NOEUPP  GLU   97  H   GLU   97  QB   3.59      H   GLU   97 1HG   4.50      1419
NOEUPP  GLU   97  H   GLU   97 2HG   4.50      H   GLU   97  QG   4.31      1420
NOEUPP  GLU   97  H   PHE   98  H    3.00      HA  GLU   97 1HG   3.70      1421
NOEUPP  GLU   97  HA  GLU   97 2HG   3.70      HA  ALA  100  H    3.90      1422
NOEUPP  GLU   97  HA  ALA  100  QB   4.60      HA  ILE  101  H    4.30      1423
NOEUPP  GLU   97  QB  PHE   98  H    4.48      QB  ALA  110  QB   6.38      1424
NOEUPP  GLU   97 1HG  ALA  110  QB   5.50     1HG  VAL  112  QQG  6.90      1425
NOEUPP  GLU   97 2HG  ALA  110  QB   5.50     2HG  VAL  112  QQG  6.90      1426
NOEUPP  GLU   97  O   ILE  101  N    3.00      O   ILE  101  H    2.00      1427
NOEUPP  PHE   98  H   PHE   98 1HB   3.10      H   PHE   98 2HB   3.10      1428
NOEUPP  PHE   98  H   GLU   99  H    2.80      HA  ILE  101  H    3.60      1429
NOEUPP  PHE   98  HA  ILE  101  QG1  5.38      HA  ILE  101  QD1  5.50      1430
NOEUPP  PHE   98  HA  ALA  110  QB   3.80      QB  GLU   99  H    3.88      1431
NOEUPP  PHE   98  QB  ALA  110  QB   6.38      CG  GLU   99  H    6.50      1432
NOEUPP  PHE   98  CG  GLU   99  HA   6.50      CG  GLU   99  QG   7.38      1433
NOEUPP  PHE   98  CG  ILE  101  QD1  7.50      CG  ALA  102  QB   7.10      1434
NOEUPP  PHE   98  CG  ALA  109  HA   6.40      CG  ALA  109  QB   7.50      1435
NOEUPP  PHE   98  CG  ALA  110  H    6.50      CZ  ILE  101 1HG1  6.50      1436
NOEUPP  PHE   98  CZ  ILE  101 2HG1  6.50      CZ  ILE  101  QD1  7.50      1437
NOEUPP  PHE   98  CZ  ALA  102  HA   6.50      CZ  ALA  102  QB   7.50      1438
NOEUPP  PHE   98  CZ  ALA  109  H    6.50      CZ  ALA  109  HA   6.50      1439
NOEUPP  PHE   98  HZ  ILE  101  QD1  5.50      HZ  ALA  107  QB   5.50      1440
NOEUPP  PHE   98  O   ALA  102  N    3.00      O   ALA  102  H    2.00      1441
NOEUPP  GLU   99  H   GLU   99  QB   3.40      H   GLU   99 1HG   3.70      1442
NOEUPP  GLU   99  H   GLU   99 2HG   3.70      H   GLU   99  QG   3.35      1443
NOEUPP  GLU   99  H   ALA  100  H    2.90      HA  GLU   99 1HG   3.70      1444
NOEUPP  GLU   99  HA  GLU   99 2HG   3.70      HA  GLU   99  QG   3.44      1445
NOEUPP  GLU   99  HA  ALA  102  H    3.50      HA  ALA  102  QB   3.80      1446
NOEUPP  GLU   99  QB  ALA  100  H    4.20                                   1447
NOEUPP  ALA  100  H   ALA  100  QB   3.30      H   ILE  101  H    2.70      1448
NOEUPP  ALA  100  HA  ILE  101  H    3.60      QB  ILE  101  H    4.40      1449
NOEUPP  ALA  100  QB  ALA  102  H    5.50                                   1450
NOEUPP  ILE  101  H   ILE  101  QG2  4.80      H   ILE  101  QG1  3.78      1451
NOEUPP  ILE  101  H   ILE  101  QD1  5.50      H   ALA  102  H    2.90      1452
NOEUPP  ILE  101  HA  ILE  101  HB   2.70      HA  ILE  101  QG2  3.30      1453
NOEUPP  ILE  101  HA  ALA  102  H    3.50      HA  ARG  103  H    4.30      1454
NOEUPP  ILE  101  HA  PHE  104  H    3.90      HA  PHE  104  CG   6.50      1455
NOEUPP  ILE  101  HA  PHE  104  CZ   6.50      HB  PHE  104  CG   6.10      1456
NOEUPP  ILE  101  HB  PHE  104  CZ   6.50      QG2 PHE  104  CG   7.50      1457
NOEUPP  ILE  101  QG2 PHE  104  CZ   7.50     1HG1 PHE  104  CG   6.70      1458
NOEUPP  ILE  101 2HG1 PHE  104  CG   6.70      QG1 PHE  104  CG   6.54      1459
NOEUPP  ILE  101  QG1 ALA  110  H    5.28      QD1 ALA  102  H    5.50      1460
NOEUPP  ILE  101  QD1 ALA  102  HA   5.10      QD1 ALA  107  QB   5.00      1461
NOEUPP  ILE  101  QD1 ALA  109  H    5.50      QD1 ALA  110  H    5.50      1462
NOEUPP  ILE  101  QD1 ALA  110  HA   5.10      QD1 ALA  110  QB   5.10      1463
NOEUPP  ILE  101  O   PHE  104  N    3.00      O   PHE  104  H    2.00      1464
NOEUPP  ALA  102  H   ALA  102  QB   3.60      H   ARG  103  H    3.20      1465
NOEUPP  ALA  102  HA  PHE  104  H    4.00                                   1466
NOEUPP  ARG  103  H   ARG  103  QB   3.63      H   PHE  104  H    2.90      1467
NOEUPP  ARG  103  HA  ARG  103 1HB   2.70      HA  ARG  103 2HB   2.70      1468
NOEUPP  ARG  103  HA  PHE  104  H    3.50      QB  PHE  104  CG   7.38      1469
NOEUPP  PHE  104  H   PHE  104  QB   3.57      HA  LYS  105  H    2.90      1470
NOEUPP  PHE  104  CG  TRP  106  HE1  6.50      CG  ALA  107  QB   7.50      1471
NOEUPP  LYS  105  H   LYS  105 1HG   4.50      H   LYS  105 2HG   4.50      1472
NOEUPP  LYS  105  HA  LYS  105  QD   5.50      HA  TRP  106  H    3.40      1473
NOEUPP  LYS  105  QB  TRP  106  H    4.98                                   1474
NOEUPP  TRP  106  H   TRP  106  QB   3.67      H   TRP  106  HD1  3.50      1475
NOEUPP  TRP  106  H   ALA  107  H    2.90      HA  TRP  106 1HB   2.80      1476
NOEUPP  TRP  106  HA  TRP  106 2HB   2.80      HA  TRP  106  HD1  4.50      1477
NOEUPP  TRP  106  HA  ALA  107  H    3.30     1HB  TRP  106  HD1  3.90      1478
NOEUPP  TRP  106 2HB  TRP  106  HD1  3.90      QB  TRP  106  HD1  3.46      1479
NOEUPP  TRP  106  HE3 ARG  108  H    4.90      HZ3 FMN  123  HN3  2.50      1480
NOEUPP  TRP  106  HH2 FMN  123  HN3  3.50                                   1481
NOEUPP  ALA  107  H   ALA  107  HA   2.90      H   ALA  107  QB   3.60      1482
NOEUPP  ALA  107  HA  ARG  108  H    2.50      HA  ALA  109  H    3.70      1483
NOEUPP  ALA  107  QB  ALA  109  H    5.10                                   1484
NOEUPP  ARG  108  H   ARG  108  QB   3.63      H   ARG  108  QG   4.88      1485
NOEUPP  ARG  108  H   ALA  109  H    2.80      HA  ARG  108  QG   3.60      1486
NOEUPP  ARG  108  HA  ALA  109  H    3.40                                   1487
NOEUPP  ALA  109  HA  ALA  110  H    2.60                                   1488
NOEUPP  ALA  110  H   ALA  110  HA   2.90      HA  LEU  111  H    2.50      1489
NOEUPP  LEU  111  H   LEU  111 1HB   3.00      H   LEU  111 2HB   3.00      1490
NOEUPP  LEU  111  H   LEU  111  QQD  7.07      HA  LEU  111  QD1  5.50      1491
NOEUPP  LEU  111  HA  LEU  111  QD2  5.50      HA  VAL  112  H    2.40      1492
NOEUPP  LEU  111  HG  VAL  112  H    4.50      QQD VAL  112  H    6.07      1493
NOEUPP  LEU  111  QQD ILE  113  QG1  7.55                                   1494
NOEUPP  VAL  112  H   VAL  112  HB   2.80      HA  ILE  113  H    2.40      1495
NOEUPP  VAL  112  QQG ILE  113  H    6.50                                   1496
NOEUPP  ILE  113  H   ILE  113  HB   2.80      H   ILE  113 1HG1  4.10      1497
NOEUPP  ILE  113  H   ILE  113 2HG1  4.10      H   ILE  113  QG1  3.76      1498
NOEUPP  ILE  113  H   ILE  113  QD1  5.50      HA  ILE  113 1HG1  3.80      1499
NOEUPP  ILE  113  HA  ILE  113 2HG1  3.80      HA  ILE  113  QG1  3.60      1500
NOEUPP  ILE  113  HA  THR  114  H    2.50      QG2 THR  114  H    5.10      1501
NOEUPP  ILE  113  QG2 VAL  115  HA   5.50                                   1502
NOEUPP  THR  114  H   THR  114  HB   3.00      HA  THR  114  HG1  3.70      1503
NOEUPP  THR  114  HA  VAL  115  H    2.50      HA  VAL  115  QQG  6.76      1504
NOEUPP  THR  114  QG2 VAL  115  H    5.00                                   1505
NOEUPP  VAL  115  H   VAL  115  HB   2.70      H   VAL  115  QG1  4.80      1506
NOEUPP  VAL  115  H   VAL  115  QG2  4.80      H   VAL  115  QQG  4.28      1507
NOEUPP  VAL  115  HA  VAL  116  H    2.40      HA  SER  117  H    4.20      1508
NOEUPP  VAL  115  QQG VAL  116  H    6.46      QQG SER  117  H    6.36      1509
NOEUPP  VAL  116  H   VAL  116  HB   3.00      H   SER  117  H    2.60      1510
NOEUPP  VAL  116  H   SER  117  HA   4.20      HA  VAL  116  HB   3.00      1511
NOEUPP  VAL  116  HB  SER  117  H    2.90      QQG SER  117  H    6.90      1512
NOEUPP  VAL  116  QQG SER  117  QB   7.78                                   1513
NOEUPP  SER  117  HA  ALA  118  H    2.80                                   1514
NOEUPP  ALA  118  HA  GLU  119  H    2.40                                   1515
NOEUPP  GLU  119  H   GLU  119  QB   3.63      H   GLU  119 1HG   4.50      1516
NOEUPP  GLU  119  H   GLU  119 2HG   4.50      H   GLU  119  QG   4.17      1517
NOEUPP  GLU  119  HA  GLU  119 1HB   2.90      HA  GLU  119 2HB   2.90      1518
NOEUPP  GLU  119  HA  GLU  119 1HG   4.00      HA  GLU  119 2HG   4.00      1519
NOEUPP  GLU  119  HA  GLU  119  QG   3.65      HA  GLN  120  H    2.50      1520
NOEUPP  GLU  119  QB  GLN  120  H    4.48      QG  GLN  120  H    5.38      1521
NOEUPP  GLN  120  H   GLN  120 1HB   3.80      H   GLN  120 2HB   3.80      1522
NOEUPP  GLN  120  H   GLN  120  QB   3.55      HA  THR  121  H    2.50      1523
NOEUPP  GLN  120 1HG  THR  121  H    4.50     2HG  THR  121  H    4.50      1524
NOEUPP  THR  121  H   THR  121  HB   4.00      H   LEU  122  HN   3.00      1525
NOEUPP  THR  121  HA  THR  121  HB   2.70      HB  THR  121  HG1  2.80      1526
NOEUPP  LEU  122  HN  LEU  122  QB   3.71      HA  LEU  122  HB2  2.80      1527
NOEUPP  LEU  122  HA  LEU  122  HB3  2.80      HA  LEU  122  QD1  5.50      1528
NOEUPP  LEU  122  HA  LEU  122  QD2  5.50      HA  LEU  122  QQD  4.42      1529
NOEUPP  FMN  123  H9  FMN  123 1H1*  3.50      H9  FMN  123 2H1*  3.50      1530
NOEUPP  FMN  123  H9  FMN  123  Q1'  2.71      H9  FMN  123  H2*  4.20      1531
NOEUPP  FMN  123  H9  FMN  123  H3*  4.20      H9  FMN  123  H4*  5.50      1532
NOEUPP  FMN  123 1H1* FMN  123  H2*  2.70     2H1* FMN  123  H2*  2.70      1533
NOEUPP  FMN  123  Q1* FMN  123 *HO2  3.26     *HO2 FMN  123  H4*  4.00      1534
ANGLE   MET    1 CHI1   -80.00  -50.00        PSI   -300.00  -50.00         1535
ANGLE   LEU    2 PHI   -170.00  -50.00        CHI1   -80.00  -50.00         1536
ANGLE   LEU    2 PSI    150.00  170.00                                      1537
ANGLE   PRO    3 PSI    150.00  170.00                                      1538
ANGLE   GLY    4 PHI    -90.00  -60.00        PSI    -50.00  -40.00         1539
ANGLE   THR    5 PHI    -60.00  -40.00        CHI1   -80.00  -40.00         1540
ANGLE   THR    5 PSI    -60.00  -40.00                                      1541
ANGLE   PHE    6 PHI    -50.00  -45.00        CHI1   165.00  190.00         1542
ANGLE   PHE    6 PSI    -60.00  -50.00                                      1543
ANGLE   PHE    7 PHI    -70.00  -50.00        CHI1   -80.00  -50.00         1544
ANGLE   PHE    7 PSI    -70.00  -50.00                                      1545
ANGLE   GLU    8 PHI    -60.00  -45.00        CHI1   -80.00  -40.00         1546
ANGLE   GLU    8 PSI    -40.00  -35.00                                      1547
ANGLE   VAL    9 PHI    -75.00  -70.00        CHI1   160.00  190.00         1548
ANGLE   VAL    9 PSI    -60.00  -40.00                                      1549
ANGLE   LEU   10 PHI    -60.00  -50.00        CHI1   -80.00  -50.00         1550
ANGLE   LEU   10 PSI    -50.00  -30.00                                      1551
ANGLE   LYS   11 PHI    -50.00  -45.00        CHI1   -80.00  -50.00         1552
ANGLE   LYS   11 PSI    -40.00  -20.00                                      1553
ANGLE   ASN   12 PHI   -120.00 -100.00        CHI1   -70.00  -40.00         1554
ANGLE   ASN   12 PSI    160.00  180.00                                      1555
ANGLE   GLU   13 PHI    -80.00  -75.00        CHI1   170.00  190.00         1556
ANGLE   GLU   13 PSI    130.00  160.00                                      1557
ANGLE   GLY   14 PHI   -190.00 -150.00        PSI    150.00  180.00         1558
ANGLE   VAL   15 PHI   -100.00  -75.00        CHI1   160.00  190.00         1559
ANGLE   VAL   15 PSI    100.00  150.00                                      1560
ANGLE   VAL   16 PHI   -140.00 -100.00        CHI1   160.00  190.00         1561
ANGLE   VAL   16 PSI    140.00  170.00                                      1562
ANGLE   ALA   17 PHI   -160.00 -130.00        PSI    150.00  160.00         1563
ANGLE   ILE   18 PHI   -150.00 -140.00        CHI1   -80.00  -40.00         1564
ANGLE   ILE   18 PSI    100.00  120.00                                      1565
ANGLE   ALA   19 PHI   -100.00  -90.00        PSI    110.00  140.00         1566
ANGLE   THR   20 PHI   -120.00  -90.00        CHI1   -70.00  -45.00         1567
ANGLE   THR   20 PSI    110.00  130.00                                      1568
ANGLE   GLN   21 PHI    -80.00  -75.00        CHI1   165.00  190.00         1569
ANGLE   GLN   21 PSI    100.00  140.00                                      1570
ANGLE   GLY   22 PHI   -130.00 -100.00        PSI    -80.00  -60.00         1571
ANGLE   GLU   23 PHI   -190.00 -160.00        CHI1  -190.00 -160.00         1572
ANGLE   GLU   23 PSI    -60.00  -50.00                                      1573
ANGLE   ASP   24 PHI   -100.00  -80.00        CHI1    45.00   80.00         1574
ANGLE   ASP   24 PSI     40.00   60.00                                      1575
ANGLE   GLY   25 PHI     80.00  100.00        PSI    130.00  150.00         1576
ANGLE   PRO   26 PSI    150.00  180.00                                      1577
ANGLE   HIS   27 PHI   -120.00 -100.00        CHI1   160.00  190.00         1578
ANGLE   HIS   27 PSI     90.00  100.00                                      1579
ANGLE   LEU   28 PHI    -90.00  -75.00        CHI1   160.00  190.00         1580
ANGLE   LEU   28 PSI     90.00  120.00                                      1581
ANGLE   VAL   29 PHI   -110.00  -75.00        CHI1   -80.00  -40.00         1582
ANGLE   VAL   29 PSI    170.00  190.00                                      1583
ANGLE   ASN   30 PHI   -140.00 -120.00        CHI1   -80.00  -50.00         1584
ANGLE   ASN   30 PSI    150.00  170.00                                      1585
ANGLE   THR   31 PHI   -180.00 -170.00        CHI1   170.00  190.00         1586
ANGLE   THR   31 PSI    160.00  180.00                                      1587
ANGLE   TRP   32 PHI   -120.00 -110.00        CHI1   -80.00  -40.00         1588
ANGLE   TRP   32 PSI    130.00  140.00                                      1589
ANGLE   ASN   33 PHI    -60.00  -50.00        CHI1   -80.00  -40.00         1590
ANGLE   ASN   33 PSI    -30.00  -10.00                                      1591
ANGLE   SER   34 PHI    -60.00  -50.00        CHI1  -190.00 -160.00         1592
ANGLE   SER   34 PSI    -20.00  -10.00                                      1593
ANGLE   TYR   35 PHI   -140.00 -120.00        CHI1   -70.00  -45.00         1594
ANGLE   TYR   35 PSI    -20.00   30.00                                      1595
ANGLE   LEU   36 PHI   -130.00  -80.00        CHI1   -70.00  -45.00         1596
ANGLE   LEU   36 PSI    150.00  170.00                                      1597
ANGLE   LYS   37 PHI   -135.00 -130.00        CHI1    50.00   80.00         1598
ANGLE   LYS   37 PSI    120.00  140.00                                      1599
ANGLE   VAL   38 PHI   -100.00  -90.00        CHI1   160.00  190.00         1600
ANGLE   VAL   38 PSI    120.00  150.00                                      1601
ANGLE   LEU   39 PHI   -120.00 -100.00        CHI1   -80.00  -40.00         1602
ANGLE   LEU   39 PSI   -180.00 -175.00                                      1603
ANGLE   ASP   40 PHI    -75.00  -60.00        CHI1  -190.00 -160.00         1604
ANGLE   ASP   40 PSI    160.00  180.00                                      1605
ANGLE   GLY   41 PHI     50.00   70.00        PSI     30.00   50.00         1606
ANGLE   ASN   42 PHI     55.00   60.00        CHI1    50.00   80.00         1607
ANGLE   ASN   42 PSI     15.00   30.00                                      1608
ANGLE   ARG   43 PHI   -100.00  -75.00        CHI1  -190.00 -160.00         1609
ANGLE   ARG   43 PSI    110.00  160.00                                      1610
ANGLE   ILE   44 PHI   -140.00  -90.00        CHI1   -70.00  -45.00         1611
ANGLE   ILE   44 PSI    150.00  175.00                                      1612
ANGLE   VAL   45 PHI   -150.00 -130.00        CHI1   170.00  190.00         1613
ANGLE   VAL   45 PSI    130.00  150.00                                      1614
ANGLE   VAL   46 PHI   -150.00 -120.00        CHI1   160.00  180.00         1615
ANGLE   VAL   46 PSI    120.00  140.00                                      1616
ANGLE   PRO   47 PSI    110.00  130.00                                      1617
ANGLE   VAL   48 PHI    -84.00  -80.00        CHI1    50.00   80.00         1618
ANGLE   VAL   48 PSI    100.00  110.00                                      1619
ANGLE   GLY   49 PHI   -120.00 -100.00        PSI    -20.00    0.00         1620
ANGLE   GLY   50 PHI   -180.00 -160.00        PSI     20.00   40.00         1621
ANGLE   MET   51 PHI   -130.00 -100.00        CHI1   -80.00  -40.00         1622
ANGLE   MET   51 PSI     50.00   70.00                                      1623
ANGLE   HIS   52 PHI    -70.00  -65.00        CHI1   -80.00  -50.00         1624
ANGLE   HIS   52 PSI    -70.00  -50.00                                      1625
ANGLE   LYS   53 PHI    -50.00  -45.00        CHI1  -190.00 -160.00         1626
ANGLE   LYS   53 PSI    -40.00  -30.00                                      1627
ANGLE   THR   54 PHI    -80.00  -60.00        CHI1   -80.00  -50.00         1628
ANGLE   THR   54 PSI    -50.00  -40.00                                      1629
ANGLE   GLU   55 PHI    -60.00  -50.00        CHI1   165.00  190.00         1630
ANGLE   GLU   55 PSI    -50.00  -40.00                                      1631
ANGLE   ALA   56 PHI    -78.00  -60.00        PSI    -60.00  -40.00         1632
ANGLE   ASN   57 PHI    -70.00  -50.00        CHI1   -80.00  -50.00         1633
ANGLE   ASN   57 PSI    -40.00  -20.00                                      1634
ANGLE   VAL   58 PHI    -75.00  -60.00        CHI1   160.00  180.00         1635
ANGLE   VAL   58 PSI    -70.00  -50.00                                      1636
ANGLE   ALA   59 PHI    -60.00  -40.00        PSI    -40.00  -20.00         1637
ANGLE   ARG   60 PHI    -86.00  -70.00        CHI1   -80.00  -50.00         1638
ANGLE   ARG   60 PSI    -45.00  -40.00                                      1639
ANGLE   ASP   61 PHI   -150.00 -134.00        CHI1  -190.00 -160.00         1640
ANGLE   ASP   61 PSI    130.00  140.00                                      1641
ANGLE   GLU   62 PHI    -75.00  -70.00        CHI1    45.00   70.00         1642
ANGLE   GLU   62 PSI    -40.00  -15.00                                      1643
ANGLE   ARG   63 PHI    -60.00  -50.00        CHI1   -80.00  -50.00         1644
ANGLE   ARG   63 PSI    115.00  130.00                                      1645
ANGLE   VAL   64 PHI   -160.00 -140.00        CHI1   -70.00  -50.00         1646
ANGLE   VAL   64 PSI    140.00  155.00                                      1647
ANGLE   LEU   65 PHI   -110.00  -90.00        CHI1  -190.00 -165.00         1648
ANGLE   LEU   65 PSI    150.00  160.00                                      1649
ANGLE   MET   66 PHI   -150.00 -140.00        CHI1  -190.00 -165.00         1650
ANGLE   MET   66 PSI    120.00  140.00                                      1651
ANGLE   THR   67 PHI   -130.00 -110.00        CHI1    50.00   80.00         1652
ANGLE   THR   67 PSI    130.00  140.00                                      1653
ANGLE   LEU   68 PHI   -115.00 -110.00        CHI1    50.00   80.00         1654
ANGLE   LEU   68 PSI    160.00  200.00                                      1655
ANGLE   GLY   69 PHI    150.00  190.00        PSI   -180.00 -160.00         1656
ANGLE   SER   70 PHI   -160.00 -148.00        CHI1  -190.00 -165.00         1657
ANGLE   SER   70 PSI    150.00  190.00                                      1658
ANGLE   ARG   71 PHI   -130.00 -100.00        CHI1   -80.00  -40.00         1659
ANGLE   ARG   71 PSI    -20.00  -10.00                                      1660
ANGLE   LYS   72 PHI    -90.00  -70.00        CHI1   -80.00  -50.00         1661
ANGLE   LYS   72 PSI    -10.00   20.00                                      1662
ANGLE   VAL   73 PHI   -130.00 -100.00        CHI1  -190.00 -160.00         1663
ANGLE   VAL   73 PSI    120.00  150.00                                      1664
ANGLE   ALA   74 PHI    -88.00  -80.00        PSI     90.00  130.00         1665
ANGLE   GLY   75 PHI   -120.00  -80.00        PSI   -140.00 -110.00         1666
ANGLE   ARG   76 PHI    -90.00  -80.00        CHI1   -80.00  -50.00         1667
ANGLE   ARG   76 PSI    -80.00  -60.00                                      1668
ANGLE   ASN   77 PHI   -100.00  -75.00        CHI1    45.00   70.00         1669
ANGLE   ASN   77 PSI    105.00  120.00                                      1670
ANGLE   GLY   78 PHI     40.00   60.00        PSI   -180.00 -170.00         1671
ANGLE   PRO   79 PSI     60.00   90.00                                      1672
ANGLE   GLY   80 PHI   -180.00 -150.00        PSI    100.00  120.00         1673
ANGLE   THR   81 PHI   -140.00 -100.00        CHI1  -190.00 -160.00         1674
ANGLE   THR   81 PSI    170.00  190.00                                      1675
ANGLE   GLY   82 PHI   -190.00 -150.00        PSI   -200.00 -150.00         1676
ANGLE   PHE   83 PHI   -150.00 -120.00        CHI1   -80.00  -40.00         1677
ANGLE   PHE   83 PSI    130.00  160.00                                      1678
ANGLE   LEU   84 PHI   -100.00  -90.00        CHI1   165.00  190.00         1679
ANGLE   LEU   84 PSI    110.00  130.00                                      1680
ANGLE   ILE   85 PHI   -140.00 -110.00        CHI1   -70.00  -45.00         1681
ANGLE   ILE   85 PSI    150.00  170.00                                      1682
ANGLE   ARG   86 PHI   -155.00 -120.00        CHI1   -80.00  -45.00         1683
ANGLE   ARG   86 PSI    120.00  150.00                                      1684
ANGLE   GLY   87 PHI   -180.00 -160.00        PSI   -180.00 -150.00         1685
ANGLE   SER   88 PHI   -120.00 -100.00        CHI1   -80.00  -40.00         1686
ANGLE   SER   88 PSI    130.00  150.00                                      1687
ANGLE   ALA   89 PHI   -110.00  -90.00        PSI    150.00  165.00         1688
ANGLE   ALA   90 PHI   -170.00 -160.00        PSI    100.00  120.00         1689
ANGLE   PHE   91 PHI    -80.00  -75.00        CHI1   -80.00  -50.00         1690
ANGLE   PHE   91 PSI    130.00  150.00                                      1691
ANGLE   ARG   92 PHI   -140.00 -120.00        CHI1   -80.00  -50.00         1692
ANGLE   ARG   92 PSI    125.00  140.00                                      1693
ANGLE   THR   93 PHI   -120.00 -110.00        CHI1    50.00   80.00         1694
ANGLE   THR   93 PSI     20.00   40.00                                      1695
ANGLE   ASP   94 PHI   -180.00 -160.00        CHI1  -190.00 -160.00         1696
ANGLE   ASP   94 PSI    130.00  170.00                                      1697
ANGLE   GLY   95 PHI     90.00  130.00        PSI   -180.00 -160.00         1698
ANGLE   PRO   96 PSI    -30.00  -10.00                                      1699
ANGLE   GLU   97 PHI    -70.00  -50.00        CHI1   -80.00  -40.00         1700
ANGLE   GLU   97 PSI    -70.00  -50.00                                      1701
ANGLE   PHE   98 PHI    -60.00  -45.00        CHI1  -190.00 -160.00         1702
ANGLE   PHE   98 PSI    -30.00  -25.00                                      1703
ANGLE   GLU   99 PHI    -80.00  -70.00        CHI1   -80.00  -50.00         1704
ANGLE   GLU   99 PSI    -70.00  -50.00                                      1705
ANGLE   ALA  100 PHI    -60.00  -45.00        PSI    -40.00  -20.00         1706
ANGLE   ILE  101 PHI    -92.00  -80.00        CHI1    50.00   80.00         1707
ANGLE   ILE  101 PSI    -25.00  -20.00                                      1708
ANGLE   ALA  102 PHI    -60.00  -50.00        PSI    -50.00  -30.00         1709
ANGLE   ARG  103 PHI    -50.00  -30.00        CHI1    50.00   80.00         1710
ANGLE   ARG  103 PSI    -40.00  -20.00                                      1711
ANGLE   PHE  104 PHI    -80.00  -50.00        CHI1   -80.00  -50.00         1712
ANGLE   PHE  104 PSI   -180.00 -160.00                                      1713
ANGLE   LYS  105 PHI   -140.00 -130.00        CHI1   170.00  190.00         1714
ANGLE   LYS  105 PSI      0.00   20.00                                      1715
ANGLE   TRP  106 PHI     35.00  285.00        CHI1    45.00   70.00         1716
ANGLE   TRP  106 PSI     10.00   30.00                                      1717
ANGLE   ALA  107 PHI    -90.00  -80.00        PSI    100.00  150.00         1718
ANGLE   ARG  108 PHI   -120.00 -100.00        CHI1  -190.00 -160.00         1719
ANGLE   ARG  108 PSI    -20.00    0.00                                      1720
ANGLE   ALA  109 PHI   -177.00 -170.00        PSI    140.00  160.00         1721
ANGLE   ALA  110 PHI   -110.00  -85.00        PSI    100.00  140.00         1722
ANGLE   LEU  111 PHI   -110.00  -80.00        CHI1  -190.00 -160.00         1723
ANGLE   LEU  111 PSI     90.00  130.00                                      1724
ANGLE   VAL  112 PHI   -110.00  -80.00        CHI1   160.00  190.00         1725
ANGLE   VAL  112 PSI    110.00  130.00                                      1726
ANGLE   ILE  113 PHI   -120.00 -100.00        CHI1   -80.00  -50.00         1727
ANGLE   ILE  113 PSI    130.00  150.00                                      1728
ANGLE   THR  114 PHI   -120.00 -100.00        CHI1   -80.00  -50.00         1729
ANGLE   THR  114 PSI     80.00  100.00                                      1730
ANGLE   VAL  115 PHI    -60.00  -50.00        CHI1   160.00  190.00         1731
ANGLE   VAL  115 PSI    150.00  160.00                                      1732
ANGLE   VAL  116 PHI   -140.00 -120.00        CHI1   160.00  190.00         1733
ANGLE   VAL  116 PSI    -60.00  -40.00                                      1734
ANGLE   SER  117 PHI   -150.00 -142.00        CHI1   -80.00  -40.00         1735
ANGLE   SER  117 PSI    110.00  140.00                                      1736
ANGLE   ALA  118 PHI   -120.00  -90.00        PSI    140.00  160.00         1737
ANGLE   GLU  119 PHI   -165.00 -140.00        CHI1    50.00   70.00         1738
ANGLE   GLU  119 PSI    120.00  170.00                                      1739
ANGLE   GLN  120 PHI   -100.00  -65.00        CHI1  -190.00 -165.00         1740
ANGLE   GLN  120 PSI    135.00  150.00                                      1741
ANGLE   THR  121 PHI   -155.00 -130.00        CHI1    55.00   70.00         1742
ANGLE   THR  121 PSI    -80.00  -60.00                                      1743
ANGLE   LEU  122 PHI   -110.00   40.00        CHI1    40.00   80.00         1744
MASTER       74   95  372  224  757  210                                    1745
END                                                                         1746

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          2H        MET   1  -8.294  -3.594 -10.960
    2   2H    MET   1          3H        MET   1  -9.910  -3.764 -10.643
    3   3H    MET   1          1H        MET   1  -8.824  -3.853  -9.419
    4    HA   MET   1           HA       MET   1  -9.365  -6.013  -9.731
    5   1HB   MET   1          1HB       MET   1  -9.023  -5.558 -12.720
    6   2HB   MET   1          2HB       MET   1  -9.352  -7.106 -11.927
    7   1HG   MET   1          1HG       MET   1 -11.418  -6.334 -12.793
    8   2HG   MET   1          2HG       MET   1 -11.495  -6.165 -11.039
    9   1HE   MET   1          2HE       MET   1 -13.574  -4.854 -13.093
   10   2HE   MET   1          3HE       MET   1 -13.688  -4.654 -11.327
   11   3HE   MET   1          1HE       MET   1 -13.763  -3.233 -12.390
   12    H    LEU   2           H        LEU   2  -7.729  -7.809  -9.822
   13    HA   LEU   2           HA       LEU   2  -4.969  -6.897 -10.348
   14   1HB   LEU   2          1HB       LEU   2  -6.164  -7.960  -7.739
   15   2HB   LEU   2          2HB       LEU   2  -4.473  -8.130  -8.106
   16    HG   LEU   2           HG       LEU   2  -4.787  -6.341  -6.584
   17   1HD1  LEU   2          3HD1      LEU   2  -2.979  -6.150  -8.309
   18   2HD1  LEU   2          1HD1      LEU   2  -4.080  -5.143  -9.279
   19   3HD1  LEU   2          2HD1      LEU   2  -3.531  -4.595  -7.678
   20   1HD2  LEU   2          1HD2      LEU   2  -7.134  -5.744  -7.687
   21   2HD2  LEU   2          2HD2      LEU   2  -6.192  -4.574  -6.743
   22   3HD2  LEU   2          3HD2      LEU   2  -6.162  -4.515  -8.513
   23    HA   PRO   3           HA       PRO   3  -4.762 -11.220 -11.640
   24   1HB   PRO   3          1HB       PRO   3  -2.061 -11.741 -11.343
   25   2HB   PRO   3          2HB       PRO   3  -2.704 -10.723 -12.646
   26   1HG   PRO   3          1HG       PRO   3  -1.480  -9.832 -10.046
   27   2HG   PRO   3          2HG       PRO   3  -1.187  -9.193 -11.691
   28   1HD   PRO   3          1HD       PRO   3  -2.898  -7.989  -9.928
   29   2HD   PRO   3          2HD       PRO   3  -3.200  -7.988 -11.689
   30    H    GLY   4           H        GLY   4  -4.427 -13.390 -10.626
   31   1HA   GLY   4          1HA       GLY   4  -4.770 -13.568  -7.816
   32   2HA   GLY   4          2HA       GLY   4  -4.206 -14.881  -8.864
   33    H    THR   5           H        THR   5  -1.802 -13.764  -9.857
   34    HA   THR   5           HA       THR   5   0.127 -14.324  -8.062
   35    HB   THR   5           HB       THR   5   0.415 -12.219 -10.237
   36    HG1  THR   5           HG1      THR   5   0.660 -14.173 -11.594
   37   1HG2  THR   5          2HG2      THR   5   2.475 -12.928  -8.931
   38   2HG2  THR   5          3HG2      THR   5   2.199 -14.588  -9.478
   39   3HG2  THR   5          1HG2      THR   5   2.570 -13.307 -10.656
   40    H    PHE   6           H        PHE   6  -1.485 -11.100  -8.453
   41    HA   PHE   6           HA       PHE   6   0.281  -9.565  -6.814
   42   1HB   PHE   6          1HB       PHE   6  -1.452  -8.472  -8.083
   43   2HB   PHE   6          2HB       PHE   6  -2.709  -9.401  -7.278
   44    HD1  PHE   6           HD1      PHE   6  -0.434  -6.548  -6.933
   45    HD2  PHE   6           HD2      PHE   6  -3.551  -8.868  -5.067
   46    HE1  PHE   6           HE1      PHE   6  -0.780  -4.745  -5.249
   47    HE2  PHE   6           HE2      PHE   6  -3.878  -7.097  -3.394
   48    HZ   PHE   6           HZ       PHE   6  -2.489  -5.020  -3.470
   49    H    PHE   7           H        PHE   7  -2.644 -11.419  -5.895
   50    HA   PHE   7           HA       PHE   7  -2.482 -10.944  -3.112
   51   1HB   PHE   7          1HB       PHE   7  -3.738 -13.301  -4.567
   52   2HB   PHE   7          2HB       PHE   7  -3.989 -12.874  -2.888
   53    HD1  PHE   7           HD2      PHE   7  -4.640 -11.840  -6.387
   54    HD2  PHE   7           HD1      PHE   7  -5.481 -11.045  -2.240
   55    HE1  PHE   7           HE2      PHE   7  -6.476 -10.329  -7.062
   56    HE2  PHE   7           HE1      PHE   7  -7.355  -9.550  -2.921
   57    HZ   PHE   7           HZ       PHE   7  -7.837  -9.171  -5.316
   58    H    GLU   8           H        GLU   8  -1.247 -13.689  -5.096
   59    HA   GLU   8           HA       GLU   8  -0.100 -15.076  -2.921
   60   1HB   GLU   8          1HB       GLU   8   0.899 -14.997  -5.803
   61   2HB   GLU   8          2HB       GLU   8   1.341 -16.194  -4.585
   62   1HG   GLU   8          1HG       GLU   8  -1.381 -15.786  -5.868
   63   2HG   GLU   8          2HG       GLU   8  -0.333 -17.196  -5.969
   64    H    VAL   9           H        VAL   9   1.311 -12.321  -4.731
   65    HA   VAL   9           HA       VAL   9   3.843 -12.540  -3.331
   66    HB   VAL   9           HB       VAL   9   2.607 -10.276  -4.941
   67   1HG1  VAL   9          2HG1      VAL   9   4.336  -9.422  -3.287
   68   2HG1  VAL   9          3HG1      VAL   9   5.489 -10.553  -4.016
   69   3HG1  VAL   9          1HG1      VAL   9   4.816  -9.254  -4.992
   70   1HG2  VAL   9          2HG2      VAL   9   4.817 -12.322  -5.518
   71   2HG2  VAL   9          3HG2      VAL   9   3.227 -12.295  -6.273
   72   3HG2  VAL   9          1HG2      VAL   9   4.378 -10.992  -6.597
   73    H    LEU  10           H        LEU  10   0.820 -10.630  -2.729
   74    HA   LEU  10           HA       LEU  10   1.770  -9.354  -0.352
   75   1HB   LEU  10          1HB       LEU  10  -1.010 -10.128  -1.235
   76   2HB   LEU  10          2HB       LEU  10  -0.747  -9.544   0.386
   77    HG   LEU  10           HG       LEU  10  -1.602  -7.847  -1.160
   78   1HD1  LEU  10          2HD1      LEU  10  -0.359  -7.246   0.895
   79   2HD1  LEU  10          3HD1      LEU  10   1.138  -7.157  -0.054
   80   3HD1  LEU  10          1HD1      LEU  10  -0.191  -6.034  -0.386
   81   1HD2  LEU  10          3HD2      LEU  10   1.110  -7.966  -2.522
   82   2HD2  LEU  10          1HD2      LEU  10  -0.485  -8.311  -3.239
   83   3HD2  LEU  10          2HD2      LEU  10  -0.104  -6.681  -2.711
   84    H    LYS  11           H        LYS  11   0.341 -12.612  -0.751
   85    HA   LYS  11           HA       LYS  11   0.240 -13.310   1.995
   86   1HB   LYS  11          1HB       LYS  11   0.814 -15.099  -0.406
   87   2HB   LYS  11          2HB       LYS  11   0.590 -15.670   1.238
   88   1HG   LYS  11          1HG       LYS  11  -1.677 -14.131   0.938
   89   2HG   LYS  11          2HG       LYS  11  -1.451 -14.719  -0.712
   90   1HD   LYS  11          1HD       LYS  11  -1.554 -16.444   1.802
   91   2HD   LYS  11          2HD       LYS  11  -2.919 -16.187   0.722
   92   1HE   LYS  11          1HE       LYS  11  -0.330 -17.242  -0.434
   93   2HE   LYS  11          2HE       LYS  11  -1.326 -18.342   0.526
   94   1HZ   LYS  11          1HZ       LYS  11  -2.342 -16.859  -1.842
   95   2HZ   LYS  11          2HZ       LYS  11  -1.717 -18.263  -1.959
   96   3HZ   LYS  11          3HZ       LYS  11  -3.100 -18.099  -1.051
   97    H    ASN  12           H        ASN  12   3.111 -12.670   0.161
   98    HA   ASN  12           HA       ASN  12   4.753 -14.241   2.080
   99   1HB   ASN  12          1HB       ASN  12   5.350 -13.259  -0.728
  100   2HB   ASN  12          2HB       ASN  12   6.591 -13.846   0.369
  101   1HD2  ASN  12          2HD2      ASN  12   4.139 -16.609  -1.352
  102   2HD2  ASN  12          1HD2      ASN  12   3.623 -14.943  -1.471
  103    H    GLU  13           H        GLU  13   6.878 -13.221   2.549
  104    HA   GLU  13           HA       GLU  13   6.580 -10.504   3.593
  105   1HB   GLU  13          1HB       GLU  13   7.830 -12.128   4.849
  106   2HB   GLU  13          2HB       GLU  13   8.785 -12.623   3.467
  107   1HG   GLU  13          1HG       GLU  13   8.983  -9.801   4.589
  108   2HG   GLU  13          2HG       GLU  13   9.869 -11.147   5.310
  109    H    GLY  14           H        GLY  14   7.365  -8.632   2.761
  110   1HA   GLY  14          1HA       GLY  14   9.409  -8.355   0.902
  111   2HA   GLY  14          2HA       GLY  14   7.820  -8.251   0.082
  112    H    VAL  15           H        VAL  15   9.142  -6.059  -0.061
  113    HA   VAL  15           HA       VAL  15   8.043  -4.220   1.974
  114    HB   VAL  15           HB       VAL  15  10.579  -4.128   0.327
  115   1HG1  VAL  15          1HG1      VAL  15   9.221  -1.638   1.459
  116   2HG1  VAL  15          2HG1      VAL  15  10.880  -1.729   0.841
  117   3HG1  VAL  15          3HG1      VAL  15   9.524  -1.972  -0.259
  118   1HG2  VAL  15          1HG2      VAL  15  10.498  -4.879   2.733
  119   2HG2  VAL  15          2HG2      VAL  15  11.509  -3.425   2.496
  120   3HG2  VAL  15          3HG2      VAL  15   9.879  -3.290   3.176
  121    H    VAL  16           H        VAL  16   7.000  -2.454   1.135
  122    HA   VAL  16           HA       VAL  16   6.039  -2.522  -1.640
  123    HB   VAL  16           HB       VAL  16   4.421  -2.205   0.916
  124   1HG1  VAL  16          1HG1      VAL  16   3.422  -0.784  -0.871
  125   2HG1  VAL  16          2HG1      VAL  16   3.260  -2.234  -1.888
  126   3HG1  VAL  16          3HG1      VAL  16   2.381  -2.099  -0.366
  127   1HG2  VAL  16          2HG2      VAL  16   4.669  -4.496  -1.017
  128   2HG2  VAL  16          3HG2      VAL  16   4.772  -4.487   0.744
  129   3HG2  VAL  16          1HG2      VAL  16   3.207  -4.290  -0.044
  130    H    ALA  17           H        ALA  17   5.183  -0.276  -2.127
  131    HA   ALA  17           HA       ALA  17   6.146   1.817  -0.382
  132   1HB   ALA  17          1HB       ALA  17   7.919   1.135  -2.275
  133   2HB   ALA  17          2HB       ALA  17   6.805   2.048  -3.320
  134   3HB   ALA  17          3HB       ALA  17   7.576   2.824  -1.929
  135    H    ILE  18           H        ILE  18   5.103   3.897  -0.956
  136    HA   ILE  18           HA       ILE  18   2.603   3.607  -2.554
  137    HB   ILE  18           HB       ILE  18   2.622   4.949   0.170
  138   1HG1  ILE  18          1HG1      ILE  18   3.222   2.666   0.764
  139   2HG1  ILE  18          2HG1      ILE  18   1.659   3.176   1.354
  140   1HG2  ILE  18          2HG2      ILE  18   0.397   3.862  -1.586
  141   2HG2  ILE  18          3HG2      ILE  18   0.183   4.632   0.009
  142   3HG2  ILE  18          1HG2      ILE  18   0.844   5.560  -1.338
  143   1HD1  ILE  18          1HD1      ILE  18   2.074   1.349  -1.028
  144   2HD1  ILE  18          2HD1      ILE  18   1.646   0.839   0.604
  145   3HD1  ILE  18          3HD1      ILE  18   0.513   1.819  -0.346
  146    H    ALA  19           H        ALA  19   2.862   5.289  -4.019
  147    HA   ALA  19           HA       ALA  19   4.388   7.741  -3.249
  148   1HB   ALA  19          2HB       ALA  19   4.877   6.556  -5.461
  149   2HB   ALA  19          3HB       ALA  19   3.244   7.026  -5.932
  150   3HB   ALA  19          1HB       ALA  19   4.429   8.280  -5.554
  151    H    THR  20           H        THR  20   3.133   8.929  -2.003
  152    HA   THR  20           HA       THR  20   0.278   9.070  -2.536
  153    HB   THR  20           HB       THR  20   1.857  10.757  -0.545
  154    HG1  THR  20           HG1      THR  20   2.285   9.103   0.581
  155   1HG2  THR  20          3HG2      THR  20  -0.702  10.999  -1.006
  156   2HG2  THR  20          1HG2      THR  20  -0.859   9.358  -0.376
  157   3HG2  THR  20          2HG2      THR  20  -0.240  10.658   0.659
  158    H    GLN  21           H        GLN  21  -0.366  10.614  -4.277
  159    HA   GLN  21           HA       GLN  21   1.476  12.847  -4.852
  160   1HB   GLN  21          1HB       GLN  21   0.262  11.717  -6.767
  161   2HB   GLN  21          2HB       GLN  21  -1.250  12.131  -5.994
  162   1HG   GLN  21          1HG       GLN  21  -0.681  13.659  -7.842
  163   2HG   GLN  21          2HG       GLN  21  -0.919  14.488  -6.311
  164   1HE2  GLN  21          2HE2      GLN  21   2.224  16.067  -6.581
  165   2HE2  GLN  21          1HE2      GLN  21   0.591  16.064  -5.948
  166    H    GLY  22           H        GLY  22   1.061  14.945  -4.157
  167   1HA   GLY  22          1HA       GLY  22  -1.451  15.414  -2.633
  168   2HA   GLY  22          2HA       GLY  22   0.101  15.848  -1.886
  169    H    GLU  23           H        GLU  23   1.456  17.424  -2.922
  170    HA   GLU  23           HA       GLU  23   0.396  19.080  -5.112
  171   1HB   GLU  23          1HB       GLU  23  -1.016  19.768  -3.258
  172   2HB   GLU  23          2HB       GLU  23   0.348  19.756  -2.168
  173   1HG   GLU  23          1HG       GLU  23   1.089  21.723  -4.016
  174   2HG   GLU  23          2HG       GLU  23  -0.666  21.915  -3.901
  175    H    ASP  24           H        ASP  24   2.488  19.419  -2.141
  176    HA   ASP  24           HA       ASP  24   4.681  20.398  -3.736
  177   1HB   ASP  24          1HB       ASP  24   5.719  21.025  -1.763
  178   2HB   ASP  24          2HB       ASP  24   4.020  21.424  -1.572
  179    H    GLY  25           H        GLY  25   4.256  18.255  -4.755
  180   1HA   GLY  25          1HA       GLY  25   5.567  16.638  -5.766
  181   2HA   GLY  25          2HA       GLY  25   6.683  16.660  -4.398
  182    HA   PRO  26           HA       PRO  26   3.524  13.177  -3.853
  183   1HB   PRO  26          1HB       PRO  26   4.441  11.072  -5.412
  184   2HB   PRO  26          2HB       PRO  26   3.136  12.156  -5.864
  185   1HG   PRO  26          1HG       PRO  26   6.051  12.296  -6.660
  186   2HG   PRO  26          2HG       PRO  26   4.614  12.554  -7.699
  187   1HD   PRO  26          1HD       PRO  26   6.067  14.617  -6.639
  188   2HD   PRO  26          2HD       PRO  26   4.296  14.732  -6.866
  189    H    HIS  27           H        HIS  27   4.100  11.404  -2.496
  190    HA   HIS  27           HA       HIS  27   7.019  11.445  -1.742
  191   1HB   HIS  27          1HB       HIS  27   5.431  12.647  -0.090
  192   2HB   HIS  27          2HB       HIS  27   4.790  11.084   0.275
  193    HD1  HIS  27           HD1      HIS  27   8.565  11.586  -0.391
  194    HD2  HIS  27           HD2      HIS  27   5.882  10.907   2.788
  195    HE1  HIS  27           HE1      HIS  27   9.971  10.923   1.619
  196    H    LEU  28           H        LEU  28   7.801   9.468  -2.480
  197    HA   LEU  28           HA       LEU  28   5.957   7.145  -2.452
  198   1HB   LEU  28          1HB       LEU  28   7.153   7.931  -4.482
  199   2HB   LEU  28          2HB       LEU  28   8.673   7.469  -3.725
  200    HG   LEU  28           HG       LEU  28   6.410   5.495  -4.165
  201   1HD1  LEU  28          3HD1      LEU  28   6.991   6.570  -6.338
  202   2HD1  LEU  28          1HD1      LEU  28   8.686   6.126  -6.095
  203   3HD1  LEU  28          2HD1      LEU  28   7.451   4.864  -6.301
  204   1HD2  LEU  28          3HD2      LEU  28   8.238   4.683  -2.729
  205   2HD2  LEU  28          1HD2      LEU  28   8.057   3.773  -4.249
  206   3HD2  LEU  28          2HD2      LEU  28   9.383   4.942  -4.068
  207    H    VAL  29           H        VAL  29   5.718   6.781  -0.335
  208    HA   VAL  29           HA       VAL  29   7.987   6.459   1.488
  209    HB   VAL  29           HB       VAL  29   6.270   6.118   3.183
  210   1HG1  VAL  29          3HG1      VAL  29   6.871   8.415   2.348
  211   2HG1  VAL  29          1HG1      VAL  29   5.372   8.425   1.413
  212   3HG1  VAL  29          2HG1      VAL  29   5.315   8.312   3.187
  213   1HG2  VAL  29          1HG2      VAL  29   4.524   4.895   1.829
  214   2HG2  VAL  29          2HG2      VAL  29   3.900   6.223   2.826
  215   3HG2  VAL  29          3HG2      VAL  29   4.094   6.464   1.099
  216    H    ASN  30           H        ASN  30   7.766   4.362   3.045
  217    HA   ASN  30           HA       ASN  30   7.347   1.986   1.286
  218   1HB   ASN  30          1HB       ASN  30   9.615   2.590   3.183
  219   2HB   ASN  30          2HB       ASN  30   9.177   0.928   2.829
  220   1HD2  ASN  30          2HD2      ASN  30  10.057   1.373  -0.731
  221   2HD2  ASN  30          1HD2      ASN  30   8.623   0.804   0.125
  222    H    THR  31           H        THR  31   7.072  -0.087   2.451
  223    HA   THR  31           HA       THR  31   6.281  -0.233   5.157
  224    HB   THR  31           HB       THR  31   4.308   0.964   4.374
  225    HG1  THR  31           HG1      THR  31   3.717  -0.248   5.950
  226   1HG2  THR  31          2HG2      THR  31   4.308   0.063   1.981
  227   2HG2  THR  31          3HG2      THR  31   3.567  -1.409   2.675
  228   3HG2  THR  31          1HG2      THR  31   2.752   0.158   2.805
  229    H    TRP  32           H        TRP  32   5.189  -2.533   5.414
  230    HA   TRP  32           HA       TRP  32   6.727  -4.539   3.793
  231   1HB   TRP  32          1HB       TRP  32   6.263  -4.376   6.798
  232   2HB   TRP  32          2HB       TRP  32   6.748  -5.849   5.980
  233    HD1  TRP  32           HD1      TRP  32   8.111  -2.436   6.938
  234    HE1  TRP  32           HE1      TRP  32  10.635  -2.373   6.620
  235    HE3  TRP  32           HE3      TRP  32   8.727  -7.085   4.954
  236    HZ2  TRP  32           HZ2      TRP  32  12.704  -4.147   5.537
  237    HZ3  TRP  32           HZ3      TRP  32  10.976  -7.936   4.439
  238    HH2  TRP  32           HH2      TRP  32  12.944  -6.523   4.569
  239    H    ASN  33           H        ASN  33   5.585  -6.461   3.213
  240    HA   ASN  33           HA       ASN  33   2.756  -6.311   3.069
  241   1HB   ASN  33          1HB       ASN  33   4.564  -8.762   2.998
  242   2HB   ASN  33          2HB       ASN  33   2.837  -8.797   2.656
  243   1HD2  ASN  33          2HD2      ASN  33   4.927  -8.433  -0.535
  244   2HD2  ASN  33          1HD2      ASN  33   4.771  -9.627   0.757
  245    H    SER  34           H        SER  34   4.837  -7.578   5.600
  246    HA   SER  34           HA       SER  34   2.989  -9.034   7.140
  247   1HB   SER  34          1HB       SER  34   5.547  -8.922   7.305
  248   2HB   SER  34          2HB       SER  34   5.326  -7.428   8.239
  249    HG   SER  34           HG       SER  34   3.923  -8.744   9.617
  250    H    TYR  35           H        TYR  35   2.899  -5.654   6.541
  251    HA   TYR  35           HA       TYR  35   1.467  -5.068   9.089
  252   1HB   TYR  35          1HB       TYR  35   2.844  -3.200   7.135
  253   2HB   TYR  35          2HB       TYR  35   2.078  -2.755   8.640
  254    HD1  TYR  35           HD1      TYR  35   3.502  -5.339  10.127
  255    HD2  TYR  35           HD2      TYR  35   4.745  -1.860   7.891
  256    HE1  TYR  35           HE1      TYR  35   5.674  -5.357  11.299
  257    HE2  TYR  35           HE2      TYR  35   6.894  -1.842   9.098
  258    HH   TYR  35           HH       TYR  35   8.195  -2.890  10.744
  259    H    LEU  36           H        LEU  36   0.990  -5.689   5.706
  260    HA   LEU  36           HA       LEU  36  -1.068  -3.568   5.451
  261   1HB   LEU  36          1HB       LEU  36  -0.059  -5.660   3.450
  262   2HB   LEU  36          2HB       LEU  36  -1.171  -4.340   3.083
  263    HG   LEU  36           HG       LEU  36   1.759  -4.081   3.851
  264   1HD1  LEU  36          3HD1      LEU  36   1.336  -4.794   1.535
  265   2HD1  LEU  36          1HD1      LEU  36   0.252  -3.400   1.295
  266   3HD1  LEU  36          2HD1      LEU  36   1.984  -3.152   1.615
  267   1HD2  LEU  36          3HD2      LEU  36  -0.373  -1.969   3.412
  268   2HD2  LEU  36          1HD2      LEU  36   0.640  -2.205   4.863
  269   3HD2  LEU  36          2HD2      LEU  36   1.371  -1.629   3.376
  270    H    LYS  37           H        LYS  37  -3.168  -4.143   4.447
  271    HA   LYS  37           HA       LYS  37  -3.947  -6.950   4.892
  272   1HB   LYS  37          1HB       LYS  37  -6.006  -6.463   5.967
  273   2HB   LYS  37          2HB       LYS  37  -4.683  -5.824   6.953
  274   1HG   LYS  37          1HG       LYS  37  -5.124  -3.619   6.376
  275   2HG   LYS  37          2HG       LYS  37  -6.189  -4.034   5.014
  276   1HD   LYS  37          1HD       LYS  37  -6.938  -4.685   7.830
  277   2HD   LYS  37          2HD       LYS  37  -7.214  -3.110   7.129
  278   1HE   LYS  37          1HE       LYS  37  -9.256  -4.264   6.893
  279   2HE   LYS  37          2HE       LYS  37  -8.560  -3.996   5.302
  280   1HZ   LYS  37          2HZ       LYS  37  -8.454  -6.575   6.754
  281   2HZ   LYS  37          3HZ       LYS  37  -9.588  -6.176   5.656
  282   3HZ   LYS  37          1HZ       LYS  37  -8.060  -6.331   5.149
  283    H    VAL  38           H        VAL  38  -5.462  -7.703   3.421
  284    HA   VAL  38           HA       VAL  38  -6.205  -5.827   1.234
  285    HB   VAL  38           HB       VAL  38  -5.837  -8.822   1.351
  286   1HG1  VAL  38          1HG1      VAL  38  -6.743  -7.130  -0.999
  287   2HG1  VAL  38          2HG1      VAL  38  -6.184  -8.811  -1.109
  288   3HG1  VAL  38          3HG1      VAL  38  -7.645  -8.428  -0.199
  289   1HG2  VAL  38          1HG2      VAL  38  -4.183  -6.767  -0.100
  290   2HG2  VAL  38          2HG2      VAL  38  -3.686  -7.734   1.295
  291   3HG2  VAL  38          3HG2      VAL  38  -4.012  -8.521  -0.245
  292    H    LEU  39           H        LEU  39  -8.459  -5.922   0.577
  293    HA   LEU  39           HA       LEU  39 -10.408  -7.188   2.351
  294   1HB   LEU  39          1HB       LEU  39 -10.360  -4.296   1.409
  295   2HB   LEU  39          2HB       LEU  39 -11.886  -5.102   1.694
  296    HG   LEU  39           HG       LEU  39  -9.744  -4.611   3.768
  297   1HD1  LEU  39          3HD1      LEU  39 -12.544  -3.469   3.331
  298   2HD1  LEU  39          1HD1      LEU  39 -11.542  -3.150   4.748
  299   3HD1  LEU  39          2HD1      LEU  39 -11.011  -2.604   3.139
  300   1HD2  LEU  39          1HD2      LEU  39 -12.484  -5.937   4.048
  301   2HD2  LEU  39          2HD2      LEU  39 -10.932  -6.730   4.336
  302   3HD2  LEU  39          3HD2      LEU  39 -11.485  -5.425   5.408
  303    H    ASP  40           H        ASP  40 -12.634  -6.907   1.006
  304    HA   ASP  40           HA       ASP  40 -12.205  -8.299  -1.473
  305   1HB   ASP  40          1HB       ASP  40 -14.059  -8.877   0.061
  306   2HB   ASP  40          2HB       ASP  40 -14.741  -7.256  -0.160
  307    H    GLY  41           H        GLY  41 -13.742  -7.337  -3.339
  308   1HA   GLY  41          1HA       GLY  41 -13.732  -5.851  -5.101
  309   2HA   GLY  41          2HA       GLY  41 -13.983  -4.589  -3.879
  310    H    ASN  42           H        ASN  42 -11.194  -6.598  -3.763
  311    HA   ASN  42           HA       ASN  42  -9.027  -6.261  -3.742
  312   1HB   ASN  42          1HB       ASN  42  -7.899  -5.649  -5.639
  313   2HB   ASN  42          2HB       ASN  42  -9.362  -6.454  -6.166
  314   1HD2  ASN  42          2HD2      ASN  42  -9.240  -2.324  -6.851
  315   2HD2  ASN  42          1HD2      ASN  42  -8.582  -3.007  -5.388
  316    H    ARG  43           H        ARG  43 -10.620  -4.255  -2.199
  317    HA   ARG  43           HA       ARG  43  -8.973  -1.815  -2.277
  318   1HB   ARG  43          1HB       ARG  43 -11.251  -1.643  -1.541
  319   2HB   ARG  43          2HB       ARG  43 -11.071  -2.960  -0.382
  320   1HG   ARG  43          1HG       ARG  43  -9.690  -1.644   1.068
  321   2HG   ARG  43          2HG       ARG  43  -9.516  -0.350  -0.124
  322   1HD   ARG  43          1HD       ARG  43 -12.275  -1.150   0.865
  323   2HD   ARG  43          2HD       ARG  43 -11.225  -0.143   1.856
  324    HE   ARG  43           HE       ARG  43 -11.421   0.819  -0.871
  325   1HH1  ARG  43          2HH2      ARG  43 -12.867   1.069   2.406
  326   2HH1  ARG  43          1HH2      ARG  43 -13.815   2.440   2.010
  327   1HH2  ARG  43          2HH1      ARG  43 -12.366   2.789  -1.262
  328   2HH2  ARG  43          1HH1      ARG  43 -13.479   3.515  -0.148
  329    H    ILE  44           H        ILE  44  -7.154  -1.370  -0.909
  330    HA   ILE  44           HA       ILE  44  -6.184  -3.686   0.725
  331    HB   ILE  44           HB       ILE  44  -4.342  -1.753  -0.762
  332   1HG1  ILE  44          1HG1      ILE  44  -5.646  -2.802  -2.590
  333   2HG1  ILE  44          2HG1      ILE  44  -3.981  -3.282  -2.582
  334   1HG2  ILE  44          2HG2      ILE  44  -4.157  -4.596   0.398
  335   2HG2  ILE  44          3HG2      ILE  44  -2.858  -3.891  -0.559
  336   3HG2  ILE  44          1HG2      ILE  44  -3.316  -3.171   0.990
  337   1HD1  ILE  44          2HD1      ILE  44  -6.216  -5.035  -1.507
  338   2HD1  ILE  44          3HD1      ILE  44  -5.596  -5.097  -3.165
  339   3HD1  ILE  44          1HD1      ILE  44  -4.527  -5.503  -1.821
  340    H    VAL  45           H        VAL  45  -4.606  -2.722   2.490
  341    HA   VAL  45           HA       VAL  45  -5.064   0.137   3.044
  342    HB   VAL  45           HB       VAL  45  -5.503  -1.978   5.111
  343   1HG1  VAL  45          2HG1      VAL  45  -4.947   0.230   6.020
  344   2HG1  VAL  45          3HG1      VAL  45  -6.357   0.913   5.187
  345   3HG1  VAL  45          1HG1      VAL  45  -6.550  -0.311   6.475
  346   1HG2  VAL  45          2HG2      VAL  45  -7.366  -2.354   3.567
  347   2HG2  VAL  45          3HG2      VAL  45  -7.928  -1.653   5.077
  348   3HG2  VAL  45          1HG2      VAL  45  -7.768  -0.625   3.637
  349    H    VAL  46           H        VAL  46  -3.479   1.017   4.297
  350    HA   VAL  46           HA       VAL  46  -1.093  -0.571   5.021
  351    HB   VAL  46           HB       VAL  46  -1.311   2.293   4.008
  352   1HG1  VAL  46          1HG1      VAL  46   1.159   0.636   4.618
  353   2HG1  VAL  46          2HG1      VAL  46   1.154   2.248   3.866
  354   3HG1  VAL  46          3HG1      VAL  46   0.579   2.054   5.519
  355   1HG2  VAL  46          1HG2      VAL  46  -1.738   0.729   2.132
  356   2HG2  VAL  46          2HG2      VAL  46  -0.301   1.717   1.956
  357   3HG2  VAL  46          3HG2      VAL  46  -0.131   0.014   2.406
  358    HA   PRO  47           HA       PRO  47  -2.304   1.519   8.921
  359   1HB   PRO  47          1HB       PRO  47  -0.363   0.605  10.570
  360   2HB   PRO  47          2HB       PRO  47  -1.687  -0.442   9.973
  361   1HG   PRO  47          1HG       PRO  47   1.122  -0.202   8.846
  362   2HG   PRO  47          2HG       PRO  47   0.232  -1.687   9.276
  363   1HD   PRO  47          1HD       PRO  47   0.366  -0.681   6.729
  364   2HD   PRO  47          2HD       PRO  47  -1.115  -1.499   7.325
  365    H    VAL  48           H        VAL  48  -1.972   3.688   8.769
  366    HA   VAL  48           HA       VAL  48   0.753   4.722   8.356
  367    HB   VAL  48           HB       VAL  48  -0.849   5.854   6.921
  368   1HG1  VAL  48          2HG1      VAL  48  -2.557   6.150   9.289
  369   2HG1  VAL  48          3HG1      VAL  48  -2.814   7.009   7.747
  370   3HG1  VAL  48          1HG1      VAL  48  -2.911   5.254   7.796
  371   1HG2  VAL  48          1HG2      VAL  48   0.811   7.238   8.442
  372   2HG2  VAL  48          2HG2      VAL  48  -0.453   8.096   7.552
  373   3HG2  VAL  48          3HG2      VAL  48  -0.658   7.757   9.276
  374    H    GLY  49           H        GLY  49   1.904   4.894  10.091
  375   1HA   GLY  49          1HA       GLY  49   0.724   5.709  12.696
  376   2HA   GLY  49          2HA       GLY  49   2.146   4.665  12.505
  377    H    GLY  50           H        GLY  50   3.203   6.439  10.171
  378   1HA   GLY  50          1HA       GLY  50   3.768   8.990  11.424
  379   2HA   GLY  50          2HA       GLY  50   5.079   7.794  11.413
  380    H    MET  51           H        MET  51   2.472   8.334   9.036
  381    HA   MET  51           HA       MET  51   4.464   9.016   6.937
  382   1HB   MET  51          1HB       MET  51   1.761   7.677   6.559
  383   2HB   MET  51          2HB       MET  51   2.846   8.183   5.291
  384   1HG   MET  51          1HG       MET  51   4.477   6.630   5.779
  385   2HG   MET  51          2HG       MET  51   3.801   6.247   7.360
  386   1HE   MET  51          1HE       MET  51   4.696   3.928   5.977
  387   2HE   MET  51          2HE       MET  51   3.700   3.156   4.717
  388   3HE   MET  51          3HE       MET  51   4.619   4.633   4.368
  389    H    HIS  52           H        HIS  52   4.397  11.112   7.821
  390    HA   HIS  52           HA       HIS  52   2.084  12.706   8.407
  391   1HB   HIS  52          1HB       HIS  52   5.007  13.521   8.031
  392   2HB   HIS  52          2HB       HIS  52   3.767  14.364   8.960
  393    HD1  HIS  52           HD1      HIS  52   6.113  11.424   9.040
  394    HD2  HIS  52           HD2      HIS  52   3.021  13.088  11.363
  395    HE1  HIS  52           HE1      HIS  52   6.333  10.395  11.398
  396    H    LYS  53           H        LYS  53   4.676  13.114   5.881
  397    HA   LYS  53           HA       LYS  53   3.331  15.291   4.510
  398   1HB   LYS  53          1HB       LYS  53   5.688  15.040   4.118
  399   2HB   LYS  53          2HB       LYS  53   5.509  13.340   3.663
  400   1HG   LYS  53          1HG       LYS  53   4.384  13.877   1.623
  401   2HG   LYS  53          2HG       LYS  53   4.227  15.581   2.048
  402   1HD   LYS  53          1HD       LYS  53   6.996  14.370   1.913
  403   2HD   LYS  53          2HD       LYS  53   6.152  14.669   0.393
  404   1HE   LYS  53          1HE       LYS  53   6.415  16.844   2.480
  405   2HE   LYS  53          2HE       LYS  53   7.679  16.539   1.278
  406   1HZ   LYS  53          3HZ       LYS  53   4.868  17.245   0.587
  407   2HZ   LYS  53          1HZ       LYS  53   6.086  18.251   0.586
  408   3HZ   LYS  53          2HZ       LYS  53   6.097  17.055  -0.489
  409    H    THR  54           H        THR  54   3.311  11.749   4.274
  410    HA   THR  54           HA       THR  54   1.516  11.632   2.035
  411    HB   THR  54           HB       THR  54   2.485   9.801   4.165
  412    HG1  THR  54           HG1      THR  54   3.742  10.339   2.439
  413   1HG2  THR  54          2HG2      THR  54   0.325   9.056   2.151
  414   2HG2  THR  54          3HG2      THR  54   1.388   7.882   2.948
  415   3HG2  THR  54          1HG2      THR  54   0.276   8.879   3.907
  416    H    GLU  55           H        GLU  55   0.774  11.892   5.608
  417    HA   GLU  55           HA       GLU  55  -2.028  11.680   5.276
  418   1HB   GLU  55          1HB       GLU  55  -0.820  11.579   7.429
  419   2HB   GLU  55          2HB       GLU  55  -0.474  13.304   7.350
  420   1HG   GLU  55          1HG       GLU  55  -2.769  13.917   7.527
  421   2HG   GLU  55          2HG       GLU  55  -3.327  12.286   7.173
  422    H    ALA  56           H        ALA  56   0.059  14.594   5.192
  423    HA   ALA  56           HA       ALA  56  -2.069  16.403   4.502
  424   1HB   ALA  56          1HB       ALA  56   0.145  17.171   5.293
  425   2HB   ALA  56          2HB       ALA  56   0.899  16.567   3.798
  426   3HB   ALA  56          3HB       ALA  56  -0.268  17.903   3.728
  427    H    ASN  57           H        ASN  57   0.058  14.365   2.502
  428    HA   ASN  57           HA       ASN  57  -0.763  15.493   0.010
  429   1HB   ASN  57          1HB       ASN  57   0.586  12.909   0.781
  430   2HB   ASN  57          2HB       ASN  57   0.099  13.174  -0.864
  431   1HD2  ASN  57          2HD2      ASN  57   3.435  14.395  -1.213
  432   2HD2  ASN  57          1HD2      ASN  57   2.462  12.937  -1.332
  433    H    VAL  58           H        VAL  58  -2.012  12.589   1.803
  434    HA   VAL  58           HA       VAL  58  -3.981  12.031  -0.195
  435    HB   VAL  58           HB       VAL  58  -4.006  11.220   2.736
  436   1HG1  VAL  58          2HG1      VAL  58  -5.645  10.282   0.339
  437   2HG1  VAL  58          3HG1      VAL  58  -5.622   9.472   1.921
  438   3HG1  VAL  58          1HG1      VAL  58  -6.272  11.116   1.774
  439   1HG2  VAL  58          1HG2      VAL  58  -3.106   9.824   0.176
  440   2HG2  VAL  58          2HG2      VAL  58  -2.149  10.141   1.645
  441   3HG2  VAL  58          3HG2      VAL  58  -3.434   8.946   1.681
  442    H    ALA  59           H        ALA  59  -4.059  14.001   2.811
  443    HA   ALA  59           HA       ALA  59  -6.777  14.754   2.650
  444   1HB   ALA  59          1HB       ALA  59  -5.329  15.180   4.614
  445   2HB   ALA  59          2HB       ALA  59  -4.410  16.379   3.673
  446   3HB   ALA  59          3HB       ALA  59  -6.120  16.667   4.048
  447    H    ARG  60           H        ARG  60  -3.983  16.004   0.774
  448    HA   ARG  60           HA       ARG  60  -5.720  18.060  -0.448
  449   1HB   ARG  60          1HB       ARG  60  -2.823  17.251  -0.860
  450   2HB   ARG  60          2HB       ARG  60  -3.636  18.459  -1.870
  451   1HG   ARG  60          1HG       ARG  60  -4.157  19.856   0.050
  452   2HG   ARG  60          2HG       ARG  60  -3.503  18.666   1.181
  453   1HD   ARG  60          1HD       ARG  60  -1.891  20.074  -0.976
  454   2HD   ARG  60          2HD       ARG  60  -1.974  20.583   0.715
  455    HE   ARG  60           HE       ARG  60  -1.259  17.816   0.514
  456   1HH1  ARG  60          2HH2      ARG  60   0.066  21.124   0.008
  457   2HH1  ARG  60          1HH2      ARG  60   1.676  20.717   0.346
  458   1HH2  ARG  60          2HH1      ARG  60   1.147  17.232   0.734
  459   2HH2  ARG  60          1HH1      ARG  60   2.264  18.536   0.631
  460    H    ASP  61           H        ASP  61  -4.196  14.976  -1.558
  461    HA   ASP  61           HA       ASP  61  -6.192  14.917  -3.759
  462   1HB   ASP  61          1HB       ASP  61  -4.123  15.978  -4.632
  463   2HB   ASP  61          2HB       ASP  61  -3.207  14.539  -4.183
  464    H    GLU  62           H        GLU  62  -6.874  12.909  -4.263
  465    HA   GLU  62           HA       GLU  62  -6.353  10.748  -2.332
  466   1HB   GLU  62          1HB       GLU  62  -8.141   9.541  -3.535
  467   2HB   GLU  62          2HB       GLU  62  -8.626  11.145  -3.025
  468   1HG   GLU  62          1HG       GLU  62  -9.540  11.188  -5.079
  469   2HG   GLU  62          2HG       GLU  62  -7.979  11.832  -5.530
  470    H    ARG  63           H        ARG  63  -5.073  11.724  -5.342
  471    HA   ARG  63           HA       ARG  63  -4.701   9.293  -6.657
  472   1HB   ARG  63          1HB       ARG  63  -3.198  11.933  -6.561
  473   2HB   ARG  63          2HB       ARG  63  -2.653  10.684  -7.679
  474   1HG   ARG  63          1HG       ARG  63  -5.470  11.851  -7.606
  475   2HG   ARG  63          2HG       ARG  63  -4.196  12.448  -8.642
  476   1HD   ARG  63          1HD       ARG  63  -4.584  10.918 -10.154
  477   2HD   ARG  63          2HD       ARG  63  -4.190   9.650  -8.983
  478    HE   ARG  63           HE       ARG  63  -6.420   9.674  -8.157
  479   1HH1  ARG  63          2HH2      ARG  63  -6.220  12.029 -10.663
  480   2HH1  ARG  63          1HH2      ARG  63  -7.931  12.213 -10.859
  481   1HH2  ARG  63          2HH1      ARG  63  -8.621   9.758  -8.375
  482   2HH2  ARG  63          1HH1      ARG  63  -9.377  10.820  -9.487
  483    H    VAL  64           H        VAL  64  -3.648   7.425  -6.013
  484    HA   VAL  64           HA       VAL  64  -0.853   7.894  -5.192
  485    HB   VAL  64           HB       VAL  64  -0.847   6.298  -3.468
  486   1HG1  VAL  64          3HG1      VAL  64  -1.662   8.654  -2.897
  487   2HG1  VAL  64          1HG1      VAL  64  -3.282   8.010  -2.862
  488   3HG1  VAL  64          2HG1      VAL  64  -2.054   7.394  -1.726
  489   1HG2  VAL  64          3HG2      VAL  64  -2.560   4.685  -4.276
  490   2HG2  VAL  64          1HG2      VAL  64  -2.822   5.140  -2.591
  491   3HG2  VAL  64          2HG2      VAL  64  -3.836   5.851  -3.867
  492    H    LEU  65           H        LEU  65   0.585   6.369  -5.571
  493    HA   LEU  65           HA       LEU  65  -0.107   4.204  -7.495
  494   1HB   LEU  65          1HB       LEU  65   1.079   5.807  -8.721
  495   2HB   LEU  65          2HB       LEU  65   2.234   6.135  -7.471
  496    HG   LEU  65           HG       LEU  65   2.148   3.421  -8.845
  497   1HD1  LEU  65          2HD1      LEU  65   3.651   5.939  -9.682
  498   2HD1  LEU  65          3HD1      LEU  65   3.914   4.321 -10.354
  499   3HD1  LEU  65          1HD1      LEU  65   2.357   5.128 -10.593
  500   1HD2  LEU  65          3HD2      LEU  65   4.405   4.979  -7.480
  501   2HD2  LEU  65          1HD2      LEU  65   3.607   3.556  -6.801
  502   3HD2  LEU  65          2HD2      LEU  65   4.567   3.400  -8.267
  503    H    MET  66           H        MET  66   1.003   2.192  -6.947
  504    HA   MET  66           HA       MET  66   2.227   2.124  -4.229
  505   1HB   MET  66          1HB       MET  66  -0.142   1.789  -3.871
  506   2HB   MET  66          2HB       MET  66  -0.250   0.644  -5.197
  507   1HG   MET  66          1HG       MET  66   1.145  -0.970  -3.923
  508   2HG   MET  66          2HG       MET  66   1.247   0.197  -2.603
  509   1HE   MET  66          1HE       MET  66   0.114  -0.820  -0.569
  510   2HE   MET  66          2HE       MET  66  -1.254  -1.943  -0.644
  511   3HE   MET  66          3HE       MET  66   0.291  -2.386  -1.403
  512    H    THR  67           H        THR  67   4.058   0.804  -4.322
  513    HA   THR  67           HA       THR  67   4.212  -1.057  -6.678
  514    HB   THR  67           HB       THR  67   6.558  -0.832  -6.678
  515    HG1  THR  67           HG1      THR  67   6.382  -0.492  -4.150
  516   1HG2  THR  67          2HG2      THR  67   5.530   1.288  -7.591
  517   2HG2  THR  67          3HG2      THR  67   5.726   2.031  -5.981
  518   3HG2  THR  67          1HG2      THR  67   7.146   1.529  -6.890
  519    H    LEU  68           H        LEU  68   4.175  -3.267  -5.947
  520    HA   LEU  68           HA       LEU  68   4.858  -3.703  -3.088
  521   1HB   LEU  68          1HB       LEU  68   3.227  -5.245  -2.651
  522   2HB   LEU  68          2HB       LEU  68   2.393  -3.920  -3.419
  523    HG   LEU  68           HG       LEU  68   1.414  -5.934  -4.155
  524   1HD1  LEU  68          1HD1      LEU  68   1.720  -4.195  -5.867
  525   2HD1  LEU  68          2HD1      LEU  68   3.184  -5.032  -6.422
  526   3HD1  LEU  68          3HD1      LEU  68   1.613  -5.846  -6.519
  527   1HD2  LEU  68          2HD2      LEU  68   3.297  -7.452  -3.618
  528   2HD2  LEU  68          3HD2      LEU  68   2.359  -7.823  -5.071
  529   3HD2  LEU  68          1HD2      LEU  68   3.961  -7.088  -5.233
  530    H    GLY  69           H        GLY  69   5.700  -5.960  -2.665
  531   1HA   GLY  69          1HA       GLY  69   6.454  -7.537  -4.914
  532   2HA   GLY  69          2HA       GLY  69   7.833  -6.603  -4.304
  533    H    SER  70           H        SER  70   8.410  -9.038  -4.073
  534    HA   SER  70           HA       SER  70   8.260  -9.630  -1.218
  535   1HB   SER  70          1HB       SER  70   6.408 -10.972  -2.071
  536   2HB   SER  70          2HB       SER  70   7.464 -11.671  -3.325
  537    HG   SER  70           HG       SER  70   7.772 -11.877  -0.505
  538    H    ARG  71           H        ARG  71   9.894 -11.131  -0.609
  539    HA   ARG  71           HA       ARG  71  12.314 -11.125  -2.360
  540   1HB   ARG  71          1HB       ARG  71  12.137 -11.817   0.597
  541   2HB   ARG  71          2HB       ARG  71  13.596 -11.560  -0.362
  542   1HG   ARG  71          1HG       ARG  71  12.910  -9.122  -0.637
  543   2HG   ARG  71          2HG       ARG  71  11.545  -9.448   0.438
  544   1HD   ARG  71          1HD       ARG  71  13.261 -10.252   2.145
  545   2HD   ARG  71          2HD       ARG  71  14.503  -9.524   1.109
  546    HE   ARG  71           HE       ARG  71  12.246  -8.302   2.541
  547   1HH1  ARG  71          2HH2      ARG  71  14.973  -7.714   0.354
  548   2HH1  ARG  71          1HH2      ARG  71  14.857  -5.990   0.344
  549   1HH2  ARG  71          2HH1      ARG  71  12.132  -5.964   2.645
  550   2HH2  ARG  71          1HH1      ARG  71  13.165  -4.958   1.698
  551    H    LYS  72           H        LYS  72   9.680 -13.115  -1.683
  552    HA   LYS  72           HA       LYS  72  11.276 -15.622  -1.646
  553   1HB   LYS  72          1HB       LYS  72   8.350 -15.022  -1.025
  554   2HB   LYS  72          2HB       LYS  72   8.926 -16.646  -1.364
  555   1HG   LYS  72          1HG       LYS  72   9.147 -16.699   0.884
  556   2HG   LYS  72          2HG       LYS  72  10.762 -16.174   0.435
  557   1HD   LYS  72          1HD       LYS  72   9.755 -13.723   0.855
  558   2HD   LYS  72          2HD       LYS  72   8.490 -14.629   1.693
  559   1HE   LYS  72          1HE       LYS  72   9.973 -14.296   3.448
  560   2HE   LYS  72          2HE       LYS  72  10.520 -15.872   2.851
  561   1HZ   LYS  72          2HZ       LYS  72  12.168 -14.503   1.498
  562   2HZ   LYS  72          3HZ       LYS  72  11.674 -13.203   2.411
  563   3HZ   LYS  72          1HZ       LYS  72  12.395 -14.457   3.142
  564    H    VAL  73           H        VAL  73  10.018 -13.612  -4.159
  565    HA   VAL  73           HA       VAL  73   9.932 -16.020  -5.861
  566    HB   VAL  73           HB       VAL  73   7.919 -13.753  -6.014
  567   1HG1  VAL  73          1HG1      VAL  73   8.494 -14.766  -8.217
  568   2HG1  VAL  73          2HG1      VAL  73   8.113 -16.376  -7.568
  569   3HG1  VAL  73          3HG1      VAL  73   6.839 -15.151  -7.740
  570   1HG2  VAL  73          3HG2      VAL  73   7.516 -16.612  -5.050
  571   2HG2  VAL  73          1HG2      VAL  73   7.299 -15.126  -4.100
  572   3HG2  VAL  73          2HG2      VAL  73   6.205 -15.475  -5.436
  573    H    ALA  74           H        ALA  74  11.064 -15.677  -7.722
  574    HA   ALA  74           HA       ALA  74  12.909 -13.445  -7.640
  575   1HB   ALA  74          2HB       ALA  74  13.719 -15.741  -8.085
  576   2HB   ALA  74          3HB       ALA  74  12.708 -15.812  -9.553
  577   3HB   ALA  74          1HB       ALA  74  14.057 -14.665  -9.457
  578    H    GLY  75           H        GLY  75  12.952 -11.670  -8.922
  579   1HA   GLY  75          1HA       GLY  75  11.163 -11.514 -11.279
  580   2HA   GLY  75          2HA       GLY  75  11.431 -10.175 -10.143
  581    H    ARG  76           H        ARG  76  12.461  -8.796 -11.392
  582    HA   ARG  76           HA       ARG  76  14.746  -9.488 -13.131
  583   1HB   ARG  76          1HB       ARG  76  13.091  -6.976 -12.570
  584   2HB   ARG  76          2HB       ARG  76  14.614  -6.887 -13.428
  585   1HG   ARG  76          1HG       ARG  76  12.605  -6.917 -14.900
  586   2HG   ARG  76          2HG       ARG  76  13.848  -8.101 -15.271
  587   1HD   ARG  76          1HD       ARG  76  11.672  -9.043 -15.619
  588   2HD   ARG  76          2HD       ARG  76  12.495  -9.905 -14.314
  589    HE   ARG  76           HE       ARG  76  11.000  -8.082 -12.928
  590   1HH1  ARG  76          2HH2      ARG  76  10.139 -10.414 -15.444
  591   2HH1  ARG  76          1HH2      ARG  76   8.542 -10.703 -14.828
  592   1HH2  ARG  76          2HH1      ARG  76   8.916  -8.456 -12.112
  593   2HH2  ARG  76          1HH1      ARG  76   7.891  -9.673 -12.790
  594    H    ASN  77           H        ASN  77  14.082  -7.256 -10.322
  595    HA   ASN  77           HA       ASN  77  17.002  -7.009  -9.986
  596   1HB   ASN  77          1HB       ASN  77  16.367  -5.625  -7.968
  597   2HB   ASN  77          2HB       ASN  77  15.996  -4.987  -9.556
  598   1HD2  ASN  77          2HD2      ASN  77  12.586  -6.225  -7.622
  599   2HD2  ASN  77          1HD2      ASN  77  13.923  -7.355  -7.673
  600    H    GLY  78           H        GLY  78  17.782  -8.980  -9.451
  601   1HA   GLY  78          1HA       GLY  78  18.447 -10.658  -8.016
  602   2HA   GLY  78          2HA       GLY  78  17.780  -9.701  -6.677
  603    HA   PRO  79           HA       PRO  79  14.926 -13.309  -7.232
  604   1HB   PRO  79          1HB       PRO  79  15.213 -14.557  -4.839
  605   2HB   PRO  79          2HB       PRO  79  16.389 -14.778  -6.171
  606   1HG   PRO  79          1HG       PRO  79  16.609 -12.880  -3.805
  607   2HG   PRO  79          2HG       PRO  79  17.836 -14.044  -4.400
  608   1HD   PRO  79          1HD       PRO  79  17.823 -11.385  -5.112
  609   2HD   PRO  79          2HD       PRO  79  18.392 -12.668  -6.223
  610    H    GLY  80           H        GLY  80  13.977 -10.923  -7.133
  611   1HA   GLY  80          1HA       GLY  80  11.906 -11.017  -5.067
  612   2HA   GLY  80          2HA       GLY  80  12.915  -9.554  -5.104
  613    H    THR  81           H        THR  81  10.046 -10.789  -6.192
  614    HA   THR  81           HA       THR  81  10.065  -8.987  -8.586
  615    HB   THR  81           HB       THR  81   9.792 -11.511  -8.955
  616    HG1  THR  81           HG1      THR  81   9.085  -9.603 -10.261
  617   1HG2  THR  81          3HG2      THR  81   8.146 -11.888  -7.108
  618   2HG2  THR  81          1HG2      THR  81   6.933 -11.021  -8.069
  619   3HG2  THR  81          2HG2      THR  81   7.649 -12.519  -8.696
  620    H    GLY  82           H        GLY  82   7.844  -8.081  -9.119
  621   1HA   GLY  82          1HA       GLY  82   5.864  -7.710  -7.074
  622   2HA   GLY  82          2HA       GLY  82   7.088  -6.421  -7.108
  623    H    PHE  83           H        PHE  83   5.057  -5.166  -7.612
  624    HA   PHE  83           HA       PHE  83   4.571  -4.965 -10.519
  625   1HB   PHE  83          1HB       PHE  83   2.301  -5.119  -8.534
  626   2HB   PHE  83          2HB       PHE  83   2.133  -5.018 -10.237
  627    HD1  PHE  83           HD1      PHE  83   3.257  -7.280  -7.469
  628    HD2  PHE  83           HD2      PHE  83   1.679  -6.995 -11.467
  629    HE1  PHE  83           HE1      PHE  83   2.787  -9.700  -7.453
  630    HE2  PHE  83           HE2      PHE  83   1.300  -9.444 -11.484
  631    HZ   PHE  83           HZ       PHE  83   1.863 -10.791  -9.463
  632    H    LEU  84           H        LEU  84   3.459  -3.022 -11.035
  633    HA   LEU  84           HA       LEU  84   3.722  -0.764  -9.105
  634   1HB   LEU  84          1HB       LEU  84   5.129  -0.631 -11.129
  635   2HB   LEU  84          2HB       LEU  84   3.707  -0.771 -12.160
  636    HG   LEU  84           HG       LEU  84   3.854   1.434 -10.072
  637   1HD1  LEU  84          2HD1      LEU  84   5.174   1.452 -12.816
  638   2HD1  LEU  84          3HD1      LEU  84   4.975   2.873 -11.771
  639   3HD1  LEU  84          1HD1      LEU  84   5.995   1.533 -11.240
  640   1HD2  LEU  84          2HD2      LEU  84   2.606   1.302 -12.858
  641   2HD2  LEU  84          3HD2      LEU  84   1.712   1.225 -11.336
  642   3HD2  LEU  84          1HD2      LEU  84   2.554   2.708 -11.774
  643    H    ILE  85           H        ILE  85   1.670   0.118  -8.511
  644    HA   ILE  85           HA       ILE  85  -0.702  -0.844 -10.054
  645    HB   ILE  85           HB       ILE  85  -0.674  -0.424  -7.025
  646   1HG1  ILE  85          1HG1      ILE  85   1.057  -2.233  -7.343
  647   2HG1  ILE  85          2HG1      ILE  85  -0.351  -2.660  -6.413
  648   1HG2  ILE  85          3HG2      ILE  85  -2.292  -2.073  -9.048
  649   2HG2  ILE  85          1HG2      ILE  85  -2.560  -2.162  -7.308
  650   3HG2  ILE  85          2HG2      ILE  85  -2.832  -0.651  -8.183
  651   1HD1  ILE  85          2HD1      ILE  85   0.123  -3.478  -9.282
  652   2HD1  ILE  85          3HD1      ILE  85   0.411  -4.475  -7.849
  653   3HD1  ILE  85          1HD1      ILE  85  -1.219  -4.016  -8.197
  654    H    ARG  86           H        ARG  86  -2.563   0.707  -9.663
  655    HA   ARG  86           HA       ARG  86  -1.868   3.346  -8.441
  656   1HB   ARG  86          1HB       ARG  86  -3.325   2.881 -11.073
  657   2HB   ARG  86          2HB       ARG  86  -3.199   4.441 -10.248
  658   1HG   ARG  86          1HG       ARG  86  -0.782   4.506 -10.562
  659   2HG   ARG  86          2HG       ARG  86  -0.777   2.853 -11.184
  660   1HD   ARG  86          1HD       ARG  86  -2.447   3.758 -13.000
  661   2HD   ARG  86          2HD       ARG  86  -1.875   5.353 -12.503
  662    HE   ARG  86           HE       ARG  86   0.060   4.971 -13.667
  663   1HH1  ARG  86          2HH2      ARG  86  -1.409   1.754 -13.014
  664   2HH1  ARG  86          1HH2      ARG  86  -0.256   0.909 -13.968
  665   1HH2  ARG  86          2HH1      ARG  86   1.581   3.729 -15.028
  666   2HH2  ARG  86          1HH1      ARG  86   1.371   1.999 -15.054
  667    H    GLY  87           H        GLY  87  -3.664   4.413  -7.423
  668   1HA   GLY  87          1HA       GLY  87  -6.352   3.483  -7.661
  669   2HA   GLY  87          2HA       GLY  87  -5.593   2.892  -6.165
  670    H    SER  88           H        SER  88  -7.639   4.412  -5.674
  671    HA   SER  88           HA       SER  88  -6.711   7.196  -5.140
  672   1HB   SER  88          1HB       SER  88  -9.422   5.859  -4.680
  673   2HB   SER  88          2HB       SER  88  -9.068   7.589  -4.621
  674    HG   SER  88           HG       SER  88  -9.163   7.700  -6.694
  675    H    ALA  89           H        ALA  89  -6.072   7.658  -2.986
  676    HA   ALA  89           HA       ALA  89  -6.344   5.554  -0.936
  677   1HB   ALA  89          1HB       ALA  89  -4.750   8.136  -0.974
  678   2HB   ALA  89          2HB       ALA  89  -4.801   6.999   0.389
  679   3HB   ALA  89          3HB       ALA  89  -4.129   6.470  -1.155
  680    H    ALA  90           H        ALA  90  -7.048   6.113   1.196
  681    HA   ALA  90           HA       ALA  90  -8.332   8.685   1.753
  682   1HB   ALA  90          3HB       ALA  90  -9.956   6.091   1.702
  683   2HB   ALA  90          1HB       ALA  90 -10.509   7.640   2.377
  684   3HB   ALA  90          2HB       ALA  90 -10.187   7.501   0.638
  685    H    PHE  91           H        PHE  91  -7.745   9.128   3.898
  686    HA   PHE  91           HA       PHE  91  -6.745   6.944   5.606
  687   1HB   PHE  91          1HB       PHE  91  -7.080   9.931   5.991
  688   2HB   PHE  91          2HB       PHE  91  -6.820   8.857   7.349
  689    HD1  PHE  91           HD2      PHE  91  -5.070   8.563   3.982
  690    HD2  PHE  91           HD1      PHE  91  -4.786   9.672   8.154
  691    HE1  PHE  91           HE2      PHE  91  -2.611   8.746   3.794
  692    HE2  PHE  91           HE1      PHE  91  -2.338   9.795   7.942
  693    HZ   PHE  91           HZ       PHE  91  -1.243   9.333   5.763
  694    H    ARG  92           H        ARG  92  -7.924   5.915   7.153
  695    HA   ARG  92           HA       ARG  92 -10.610   6.949   7.949
  696   1HB   ARG  92          1HB       ARG  92  -9.848   4.210   6.899
  697   2HB   ARG  92          2HB       ARG  92 -11.187   4.396   8.018
  698   1HG   ARG  92          1HG       ARG  92 -11.098   6.159   5.579
  699   2HG   ARG  92          2HG       ARG  92 -11.595   4.520   5.375
  700   1HD   ARG  92          1HD       ARG  92 -12.806   6.433   7.430
  701   2HD   ARG  92          2HD       ARG  92 -13.404   6.291   5.810
  702    HE   ARG  92           HE       ARG  92 -14.550   4.982   7.765
  703   1HH1  ARG  92          2HH2      ARG  92 -12.399   3.129   5.612
  704   2HH1  ARG  92          1HH2      ARG  92 -13.306   1.690   5.825
  705   1HH2  ARG  92          2HH1      ARG  92 -15.726   3.257   7.874
  706   2HH2  ARG  92          1HH1      ARG  92 -15.377   1.806   6.966
  707    H    THR  93           H        THR  93 -11.005   6.672  10.147
  708    HA   THR  93           HA       THR  93  -9.196   4.993  11.798
  709    HB   THR  93           HB       THR  93  -9.722   6.677  13.614
  710    HG1  THR  93           HG1      THR  93 -11.407   7.766  12.750
  711   1HG2  THR  93          2HG2      THR  93  -7.534   6.678  12.481
  712   2HG2  THR  93          3HG2      THR  93  -8.167   7.772  11.225
  713   3HG2  THR  93          1HG2      THR  93  -8.046   8.316  12.912
  714    H    ASP  94           H        ASP  94 -11.331   4.057  10.279
  715    HA   ASP  94           HA       ASP  94 -13.407   3.191  12.088
  716   1HB   ASP  94          1HB       ASP  94 -14.257   5.375  11.470
  717   2HB   ASP  94          2HB       ASP  94 -13.728   5.193   9.800
  718    H    GLY  95           H        GLY  95 -14.738   1.620  10.956
  719   1HA   GLY  95          1HA       GLY  95 -15.371   0.119   9.409
  720   2HA   GLY  95          2HA       GLY  95 -14.134   0.732   8.293
  721    HA   PRO  96           HA       PRO  96 -13.061  -3.619   9.656
  722   1HB   PRO  96          1HB       PRO  96 -13.002  -4.713   7.128
  723   2HB   PRO  96          2HB       PRO  96 -14.420  -4.701   8.217
  724   1HG   PRO  96          1HG       PRO  96 -13.776  -2.753   5.983
  725   2HG   PRO  96          2HG       PRO  96 -15.331  -3.586   6.318
  726   1HD   PRO  96          1HD       PRO  96 -14.914  -1.051   7.132
  727   2HD   PRO  96          2HD       PRO  96 -15.755  -2.206   8.212
  728    H    GLU  97           H        GLU  97 -11.929  -1.121   7.530
  729    HA   GLU  97           HA       GLU  97  -9.297  -2.150   7.011
  730   1HB   GLU  97          1HB       GLU  97 -10.354   0.733   7.129
  731   2HB   GLU  97          2HB       GLU  97  -8.790   0.218   6.516
  732   1HG   GLU  97          1HG       GLU  97  -9.829   0.232   4.526
  733   2HG   GLU  97          2HG       GLU  97 -10.262  -1.382   4.981
  734    H    PHE  98           H        PHE  98 -10.553   0.282   9.340
  735    HA   PHE  98           HA       PHE  98  -8.118   0.477  10.802
  736   1HB   PHE  98          1HB       PHE  98  -9.976   2.183  10.574
  737   2HB   PHE  98          2HB       PHE  98 -10.869   1.248  11.772
  738    HD1  PHE  98           HD1      PHE  98  -7.401   2.676  11.233
  739    HD2  PHE  98           HD2      PHE  98 -10.658   2.062  13.996
  740    HE1  PHE  98           HE1      PHE  98  -6.149   3.909  12.986
  741    HE2  PHE  98           HE2      PHE  98  -9.419   3.327  15.722
  742    HZ   PHE  98           HZ       PHE  98  -7.146   4.235  15.226
  743    H    GLU  99           H        GLU  99 -11.026  -1.575  11.180
  744    HA   GLU  99           HA       GLU  99 -10.372  -2.670  13.713
  745   1HB   GLU  99          1HB       GLU  99 -11.774  -3.886  11.310
  746   2HB   GLU  99          2HB       GLU  99 -11.747  -4.636  12.898
  747   1HG   GLU  99          1HG       GLU  99 -13.198  -3.059  13.842
  748   2HG   GLU  99          2HG       GLU  99 -12.880  -1.850  12.600
  749    H    ALA 100           H        ALA 100  -9.775  -4.073  10.412
  750    HA   ALA 100           HA       ALA 100  -8.208  -6.204  11.527
  751   1HB   ALA 100          1HB       ALA 100  -8.740  -5.303   8.748
  752   2HB   ALA 100          2HB       ALA 100  -7.583  -6.630   9.103
  753   3HB   ALA 100          3HB       ALA 100  -9.297  -6.741   9.587
  754    H    ILE 101           H        ILE 101  -7.285  -2.909  10.774
  755    HA   ILE 101           HA       ILE 101  -4.437  -3.740  11.139
  756    HB   ILE 101           HB       ILE 101  -3.662  -1.620  10.643
  757   1HG1  ILE 101          1HG1      ILE 101  -5.556   0.024   9.677
  758   2HG1  ILE 101          2HG1      ILE 101  -6.431  -0.716  11.034
  759   1HG2  ILE 101          3HG2      ILE 101  -4.225  -3.170   8.797
  760   2HG2  ILE 101          1HG2      ILE 101  -5.767  -2.299   8.601
  761   3HG2  ILE 101          2HG2      ILE 101  -4.232  -1.460   8.327
  762   1HD1  ILE 101          3HD1      ILE 101  -3.760   0.718  11.176
  763   2HD1  ILE 101          1HD1      ILE 101  -5.322   1.391  11.672
  764   3HD1  ILE 101          2HD1      ILE 101  -4.634   0.027  12.568
  765    H    ALA 102           H        ALA 102  -7.047  -2.658  13.156
  766    HA   ALA 102           HA       ALA 102  -5.793  -1.426  15.254
  767   1HB   ALA 102          3HB       ALA 102  -8.241  -1.890  15.136
  768   2HB   ALA 102          1HB       ALA 102  -7.908  -3.583  15.587
  769   3HB   ALA 102          2HB       ALA 102  -7.519  -2.271  16.704
  770    H    ARG 103           H        ARG 103  -5.390  -4.752  14.340
  771    HA   ARG 103           HA       ARG 103  -4.262  -5.905  16.662
  772   1HB   ARG 103          1HB       ARG 103  -3.040  -7.410  15.116
  773   2HB   ARG 103          2HB       ARG 103  -4.726  -7.206  14.632
  774   1HG   ARG 103          1HG       ARG 103  -4.047  -5.568  12.906
  775   2HG   ARG 103          2HG       ARG 103  -2.352  -5.735  13.366
  776   1HD   ARG 103          1HD       ARG 103  -2.206  -7.944  12.535
  777   2HD   ARG 103          2HD       ARG 103  -3.966  -8.144  12.507
  778    HE   ARG 103           HE       ARG 103  -4.104  -6.458  10.781
  779   1HH1  ARG 103          2HH2      ARG 103  -1.015  -8.222  10.987
  780   2HH1  ARG 103          1HH2      ARG 103  -0.546  -7.914   9.354
  781   1HH2  ARG 103          2HH1      ARG 103  -3.479  -6.029   8.648
  782   2HH2  ARG 103          1HH1      ARG 103  -2.095  -6.729   7.901
  783    H    PHE 104           H        PHE 104  -2.877  -3.298  14.752
  784    HA   PHE 104           HA       PHE 104  -0.153  -3.776  15.784
  785   1HB   PHE 104          1HB       PHE 104  -1.290  -1.371  14.303
  786   2HB   PHE 104          2HB       PHE 104   0.415  -1.752  14.535
  787    HD1  PHE 104           HD2      PHE 104   0.790  -4.504  13.798
  788    HD2  PHE 104           HD1      PHE 104  -1.853  -1.593  12.042
  789    HE1  PHE 104           HE2      PHE 104   0.758  -5.811  11.697
  790    HE2  PHE 104           HE1      PHE 104  -1.895  -2.931   9.932
  791    HZ   PHE 104           HZ       PHE 104  -0.633  -5.020   9.770
  792    H    LYS 105           H        LYS 105   0.857  -1.558  16.899
  793    HA   LYS 105           HA       LYS 105  -1.192  -0.370  18.651
  794   1HB   LYS 105          1HB       LYS 105  -0.187  -2.384  19.703
  795   2HB   LYS 105          2HB       LYS 105   1.411  -1.620  19.630
  796   1HG   LYS 105          1HG       LYS 105   0.880  -0.051  21.225
  797   2HG   LYS 105          2HG       LYS 105  -0.855  -0.073  20.860
  798   1HD   LYS 105          1HD       LYS 105  -1.037  -2.325  21.908
  799   2HD   LYS 105          2HD       LYS 105   0.669  -2.200  22.415
  800   1HE   LYS 105          1HE       LYS 105   0.166  -0.179  23.716
  801   2HE   LYS 105          2HE       LYS 105  -1.482  -0.133  23.078
  802   1HZ   LYS 105          1HZ       LYS 105  -1.943  -2.192  24.228
  803   2HZ   LYS 105          2HZ       LYS 105  -0.411  -2.252  24.837
  804   3HZ   LYS 105          3HZ       LYS 105  -1.435  -1.047  25.290
  805    H    TRP 106           H        TRP 106   0.450   0.464  16.238
  806    HA   TRP 106           HA       TRP 106   1.405   3.037  17.364
  807   1HB   TRP 106          1HB       TRP 106   3.291   2.854  15.668
  808   2HB   TRP 106          2HB       TRP 106   3.403   1.832  17.081
  809    HD1  TRP 106           HD1      TRP 106   3.789  -0.645  16.720
  810    HE1  TRP 106           HE1      TRP 106   4.020  -2.206  14.689
  811    HE3  TRP 106           HE3      TRP 106   2.104   2.507  13.057
  812    HZ2  TRP 106           HZ2      TRP 106   3.566  -2.083  11.823
  813    HZ3  TRP 106           HZ3      TRP 106   1.998   1.787  10.726
  814    HH2  TRP 106           HH2      TRP 106   2.846  -0.494  10.076
  815    H    ALA 107           H        ALA 107  -1.037   1.812  15.665
  816    HA   ALA 107           HA       ALA 107  -0.679   3.242  13.120
  817   1HB   ALA 107          1HB       ALA 107  -3.034   1.656  14.246
  818   2HB   ALA 107          2HB       ALA 107  -2.920   2.363  12.624
  819   3HB   ALA 107          3HB       ALA 107  -1.814   1.052  13.092
  820    H    ARG 108           H        ARG 108  -1.408   5.236  12.784
  821    HA   ARG 108           HA       ARG 108  -3.114   6.611  14.784
  822   1HB   ARG 108          1HB       ARG 108  -1.048   7.733  14.392
  823   2HB   ARG 108          2HB       ARG 108  -1.127   7.524  12.655
  824   1HG   ARG 108          1HG       ARG 108  -3.208   9.224  14.060
  825   2HG   ARG 108          2HG       ARG 108  -1.595   9.866  13.729
  826   1HD   ARG 108          1HD       ARG 108  -1.773   9.518  11.373
  827   2HD   ARG 108          2HD       ARG 108  -3.265   8.614  11.518
  828    HE   ARG 108           HE       ARG 108  -2.953  11.342  11.156
  829   1HH1  ARG 108          2HH2      ARG 108  -5.149   9.102  12.867
  830   2HH1  ARG 108          1HH2      ARG 108  -6.487  10.198  12.833
  831   1HH2  ARG 108          2HH1      ARG 108  -4.664  12.666  11.029
  832   2HH2  ARG 108          1HH1      ARG 108  -6.222  12.368  11.751
  833    H    ALA 109           H        ALA 109  -3.108   5.208  11.607
  834    HA   ALA 109           HA       ALA 109  -5.936   5.618  11.196
  835   1HB   ALA 109          2HB       ALA 109  -3.988   7.493   9.880
  836   2HB   ALA 109          3HB       ALA 109  -5.113   6.715   8.787
  837   3HB   ALA 109          1HB       ALA 109  -5.707   7.672  10.157
  838    H    ALA 110           H        ALA 110  -6.625   4.651   9.187
  839    HA   ALA 110           HA       ALA 110  -4.942   2.429   8.167
  840   1HB   ALA 110          3HB       ALA 110  -7.981   2.885   8.278
  841   2HB   ALA 110          1HB       ALA 110  -7.195   1.566   7.432
  842   3HB   ALA 110          2HB       ALA 110  -7.067   1.670   9.193
  843    H    LEU 111           H        LEU 111  -3.889   3.335   6.418
  844    HA   LEU 111           HA       LEU 111  -5.174   5.406   4.732
  845   1HB   LEU 111          1HB       LEU 111  -2.781   5.545   5.356
  846   2HB   LEU 111          2HB       LEU 111  -2.467   4.016   4.556
  847    HG   LEU 111           HG       LEU 111  -3.466   6.563   3.201
  848   1HD1  LEU 111          3HD1      LEU 111  -1.156   6.737   4.125
  849   2HD1  LEU 111          1HD1      LEU 111  -0.687   5.287   3.218
  850   3HD1  LEU 111          2HD1      LEU 111  -1.161   6.769   2.359
  851   1HD2  LEU 111          1HD2      LEU 111  -2.549   3.923   2.004
  852   2HD2  LEU 111          2HD2      LEU 111  -4.124   4.730   1.786
  853   3HD2  LEU 111          3HD2      LEU 111  -2.678   5.439   1.084
  854    H    VAL 112           H        VAL 112  -6.878   4.416   3.834
  855    HA   VAL 112           HA       VAL 112  -6.865   1.662   2.875
  856    HB   VAL 112           HB       VAL 112  -8.956   3.877   2.546
  857   1HG1  VAL 112          1HG1      VAL 112  -9.109   0.850   2.418
  858   2HG1  VAL 112          2HG1      VAL 112 -10.501   1.957   2.403
  859   3HG1  VAL 112          3HG1      VAL 112  -9.326   2.000   1.082
  860   1HG2  VAL 112          3HG2      VAL 112  -8.493   2.019   4.899
  861   2HG2  VAL 112          1HG2      VAL 112  -8.703   3.775   4.893
  862   3HG2  VAL 112          2HG2      VAL 112 -10.084   2.740   4.545
  863    H    ILE 113           H        ILE 113  -6.491   1.131   0.679
  864    HA   ILE 113           HA       ILE 113  -6.382   3.425  -1.221
  865    HB   ILE 113           HB       ILE 113  -4.647   0.919  -1.325
  866   1HG1  ILE 113          1HG1      ILE 113  -3.862   3.806  -0.703
  867   2HG1  ILE 113          2HG1      ILE 113  -3.930   2.489   0.471
  868   1HG2  ILE 113          1HG2      ILE 113  -5.300   1.816  -3.565
  869   2HG2  ILE 113          2HG2      ILE 113  -4.705   3.416  -3.094
  870   3HG2  ILE 113          3HG2      ILE 113  -3.584   2.047  -3.272
  871   1HD1  ILE 113          3HD1      ILE 113  -2.169   1.265  -0.784
  872   2HD1  ILE 113          1HD1      ILE 113  -1.981   2.689  -1.843
  873   3HD1  ILE 113          2HD1      ILE 113  -1.652   2.823  -0.112
  874    H    THR 114           H        THR 114  -7.811   3.207  -2.807
  875    HA   THR 114           HA       THR 114  -9.255   0.640  -3.213
  876    HB   THR 114           HB       THR 114 -10.014   3.445  -4.136
  877    HG1  THR 114           HG1      THR 114 -10.055   3.482  -1.985
  878   1HG2  THR 114          2HG2      THR 114 -11.635   0.863  -3.840
  879   2HG2  THR 114          3HG2      THR 114 -12.260   2.444  -4.367
  880   3HG2  THR 114          1HG2      THR 114 -11.091   1.579  -5.375
  881    H    VAL 115           H        VAL 115  -7.539  -0.311  -4.277
  882    HA   VAL 115           HA       VAL 115  -6.007   0.817  -6.417
  883    HB   VAL 115           HB       VAL 115  -6.603  -1.983  -5.398
  884   1HG1  VAL 115          2HG1      VAL 115  -4.858  -1.205  -7.744
  885   2HG1  VAL 115          3HG1      VAL 115  -4.721  -2.752  -6.867
  886   3HG1  VAL 115          1HG1      VAL 115  -6.208  -2.341  -7.730
  887   1HG2  VAL 115          2HG2      VAL 115  -4.104  -0.233  -5.346
  888   2HG2  VAL 115          3HG2      VAL 115  -5.166  -0.592  -3.967
  889   3HG2  VAL 115          1HG2      VAL 115  -4.221  -1.885  -4.709
  890    H    VAL 116           H        VAL 116  -6.147   0.392  -8.696
  891    HA   VAL 116           HA       VAL 116  -8.853  -0.327  -9.665
  892    HB   VAL 116           HB       VAL 116  -7.143   2.020 -10.577
  893   1HG1  VAL 116          1HG1      VAL 116  -9.895   1.051 -11.492
  894   2HG1  VAL 116          2HG1      VAL 116  -9.102   2.551 -12.011
  895   3HG1  VAL 116          3HG1      VAL 116  -8.397   0.996 -12.447
  896   1HG2  VAL 116          3HG2      VAL 116  -9.803   1.953  -9.069
  897   2HG2  VAL 116          1HG2      VAL 116  -8.260   2.547  -8.437
  898   3HG2  VAL 116          2HG2      VAL 116  -9.049   3.409  -9.751
  899    H    SER 117           H        SER 117  -5.342   0.271 -10.593
  900    HA   SER 117           HA       SER 117  -5.477  -2.294 -11.968
  901   1HB   SER 117          1HB       SER 117  -4.697   0.241 -13.479
  902   2HB   SER 117          2HB       SER 117  -4.779  -1.402 -14.137
  903    HG   SER 117           HG       SER 117  -7.105  -1.224 -13.340
  904    H    ALA 118           H        ALA 118  -3.706  -3.349 -12.170
  905    HA   ALA 118           HA       ALA 118  -1.067  -2.400 -11.297
  906   1HB   ALA 118          3HB       ALA 118  -2.299  -4.132  -9.983
  907   2HB   ALA 118          1HB       ALA 118  -2.446  -5.139 -11.426
  908   3HB   ALA 118          2HB       ALA 118  -0.847  -4.841 -10.740
  909    H    GLU 119           H        GLU 119   0.762  -3.161 -12.320
  910    HA   GLU 119           HA       GLU 119   0.635  -5.004 -14.607
  911   1HB   GLU 119          1HB       GLU 119   2.150  -3.688 -15.890
  912   2HB   GLU 119          2HB       GLU 119   0.576  -2.931 -15.714
  913   1HG   GLU 119          1HG       GLU 119   2.545  -2.113 -13.649
  914   2HG   GLU 119          2HG       GLU 119   3.026  -1.783 -15.308
  915    H    GLN 120           H        GLN 120   2.490  -6.436 -14.604
  916    HA   GLN 120           HA       GLN 120   3.966  -6.439 -12.051
  917   1HB   GLN 120          1HB       GLN 120   3.133  -8.577 -13.235
  918   2HB   GLN 120          2HB       GLN 120   4.428  -8.295 -14.412
  919   1HG   GLN 120          1HG       GLN 120   6.061  -8.240 -12.456
  920   2HG   GLN 120          2HG       GLN 120   4.715  -8.678 -11.395
  921   1HE2  GLN 120          2HE2      GLN 120   6.428 -11.846 -12.077
  922   2HE2  GLN 120          1HE2      GLN 120   6.749 -10.425 -11.117
  923    H    THR 121           H        THR 121   6.160  -5.814 -11.863
  924    HA   THR 121           HA       THR 121   7.435  -4.733 -14.317
  925    HB   THR 121           HB       THR 121   8.015  -2.695 -12.989
  926    HG1  THR 121           HG1      THR 121   6.549  -2.249 -11.242
  927   1HG2  THR 121          1HG2      THR 121   6.159  -2.710 -14.676
  928   2HG2  THR 121          2HG2      THR 121   5.011  -3.027 -13.363
  929   3HG2  THR 121          3HG2      THR 121   5.946  -1.519 -13.385
  930    H    LEU 122           H        LEU 122   8.315  -4.582 -10.871
  931    HA   LEU 122           HA       LEU 122  11.015  -5.378 -11.504
  932   1HB   LEU 122          1HB       LEU 122  11.442  -5.431  -9.144
  933   2HB   LEU 122          2HB       LEU 122  10.734  -3.913  -9.625
  934    HG   LEU 122           HG       LEU 122   8.736  -5.897  -8.716
  935   1HD1  LEU 122          1HD1      LEU 122  10.807  -4.905  -6.726
  936   2HD1  LEU 122          2HD1      LEU 122   9.289  -5.735  -6.314
  937   3HD1  LEU 122          3HD1      LEU 122  10.537  -6.597  -7.223
  938   1HD2  LEU 122          1HD2      LEU 122   8.186  -3.537  -9.087
  939   2HD2  LEU 122          2HD2      LEU 122   7.871  -4.024  -7.417
  940   3HD2  LEU 122          3HD2      LEU 122   9.318  -3.066  -7.802
  941    HN3  FMN 123           HN3      FMN 123   2.590   2.623   8.395
  942    H6   FMN 123           H6       FMN 123   8.255  -0.565   5.931
  943   1HM7  FMN 123          1HM7      FMN 123  10.138  -1.104   4.588
  944   2HM7  FMN 123          2HM7      FMN 123  11.242   0.169   4.075
  945   3HM7  FMN 123          3HM7      FMN 123  11.571  -0.711   5.578
  946   1HM8  FMN 123          1HM8      FMN 123  12.618   1.668   5.852
  947   2HM8  FMN 123          2HM8      FMN 123  11.896   2.483   4.441
  948   3HM8  FMN 123          3HM8      FMN 123  12.166   3.375   5.943
  949    H9   FMN 123           H9       FMN 123  10.129   3.927   6.882
  950   1H1*  FMN 123          1H1*      FMN 123   7.846   4.961   9.422
  951   2H1*  FMN 123          2H1*      FMN 123   9.264   4.822   8.461
  952    H2*  FMN 123           H2*      FMN 123   8.213   6.987   8.210
  953   *HO2  FMN 123          *HO2      FMN 123   6.147   7.076   8.228
  954    H3*  FMN 123           H3*      FMN 123   8.083   5.334   5.673
  955   *HO3  FMN 123          *HO3      FMN 123   9.902   6.905   5.387
  956    H4*  FMN 123           H4*      FMN 123   6.689   7.158   5.157
  957   *HO4  FMN 123          *HO4      FMN 123   8.142   8.548   3.925
  958   1H5*  FMN 123          1H5*      FMN 123   7.172   8.723   7.085
  959   2H5*  FMN 123          2H5*      FMN 123   8.610   9.278   6.203
   
  No H/Q in entry =         959
  Start of MODEL    2
    1   1H    MET   1          3H        MET   1  -8.676  -3.700 -10.961
    2   2H    MET   1          1H        MET   1 -10.285  -3.997 -10.614
    3   3H    MET   1          2H        MET   1  -9.166  -3.912  -9.415
    4    HA   MET   1           HA       MET   1  -9.571  -6.124  -9.609
    5   1HB   MET   1          1HB       MET   1  -9.061  -5.861 -12.602
    6   2HB   MET   1          2HB       MET   1  -9.422  -7.348 -11.706
    7   1HG   MET   1          1HG       MET   1 -11.269  -5.002 -12.237
    8   2HG   MET   1          2HG       MET   1 -11.457  -6.680 -12.747
    9   1HE   MET   1          2HE       MET   1 -13.843  -5.049 -11.458
   10   2HE   MET   1          3HE       MET   1 -13.966  -6.766 -11.917
   11   3HE   MET   1          1HE       MET   1 -14.488  -6.236 -10.302
   12    H    LEU   2           H        LEU   2  -7.796  -7.791  -9.553
   13    HA   LEU   2           HA       LEU   2  -5.127  -6.783 -10.238
   14   1HB   LEU   2          1HB       LEU   2  -6.075  -7.675  -7.474
   15   2HB   LEU   2          2HB       LEU   2  -4.380  -7.600  -7.918
   16    HG   LEU   2           HG       LEU   2  -6.274  -5.210  -7.858
   17   1HD1  LEU   2          2HD1      LEU   2  -5.472  -6.356  -5.639
   18   2HD1  LEU   2          3HD1      LEU   2  -3.897  -5.663  -6.036
   19   3HD1  LEU   2          1HD1      LEU   2  -5.310  -4.613  -5.801
   20   1HD2  LEU   2          2HD2      LEU   2  -3.285  -5.435  -8.412
   21   2HD2  LEU   2          3HD2      LEU   2  -4.519  -4.846  -9.550
   22   3HD2  LEU   2          1HD2      LEU   2  -4.118  -3.903  -8.133
   23    HA   PRO   3           HA       PRO   3  -4.702 -11.098 -11.285
   24   1HB   PRO   3          1HB       PRO   3  -1.996 -11.539 -10.926
   25   2HB   PRO   3          2HB       PRO   3  -2.645 -10.571 -12.264
   26   1HG   PRO   3          1HG       PRO   3  -1.516  -9.575  -9.650
   27   2HG   PRO   3          2HG       PRO   3  -1.173  -8.984 -11.303
   28   1HD   PRO   3          1HD       PRO   3  -2.966  -7.752  -9.666
   29   2HD   PRO   3          2HD       PRO   3  -3.238  -7.857 -11.429
   30    H    GLY   4           H        GLY   4  -4.422 -13.210 -10.255
   31   1HA   GLY   4          1HA       GLY   4  -4.740 -13.397  -7.443
   32   2HA   GLY   4          2HA       GLY   4  -4.202 -14.714  -8.502
   33    H    THR   5           H        THR   5  -1.810 -13.552  -9.529
   34    HA   THR   5           HA       THR   5   0.167 -14.124  -7.758
   35    HB   THR   5           HB       THR   5   0.344 -11.992  -9.899
   36    HG1  THR   5           HG1      THR   5   0.473 -14.746 -10.452
   37   1HG2  THR   5          3HG2      THR   5   2.265 -14.229  -9.069
   38   2HG2  THR   5          1HG2      THR   5   2.534 -13.070 -10.391
   39   3HG2  THR   5          2HG2      THR   5   2.464 -12.503  -8.715
   40    H    PHE   6           H        PHE   6  -1.523 -10.913  -8.042
   41    HA   PHE   6           HA       PHE   6   0.285  -9.437  -6.391
   42   1HB   PHE   6          1HB       PHE   6  -1.420  -8.217  -7.535
   43   2HB   PHE   6          2HB       PHE   6  -2.700  -9.233  -6.888
   44    HD1  PHE   6           HD2      PHE   6  -0.342  -6.529  -6.006
   45    HD2  PHE   6           HD1      PHE   6  -3.712  -8.901  -4.746
   46    HE1  PHE   6           HE2      PHE   6  -0.737  -4.970  -4.106
   47    HE2  PHE   6           HE1      PHE   6  -4.073  -7.384  -2.846
   48    HZ   PHE   6           HZ       PHE   6  -2.564  -5.418  -2.500
   49    H    PHE   7           H        PHE   7  -2.520 -11.463  -5.486
   50    HA   PHE   7           HA       PHE   7  -2.334 -11.087  -2.668
   51   1HB   PHE   7          1HB       PHE   7  -3.454 -13.482  -4.183
   52   2HB   PHE   7          2HB       PHE   7  -3.695 -13.112  -2.497
   53    HD1  PHE   7           HD2      PHE   7  -4.342 -11.737  -5.941
   54    HD2  PHE   7           HD1      PHE   7  -5.582 -11.828  -1.813
   55    HE1  PHE   7           HE2      PHE   7  -6.374 -10.474  -6.535
   56    HE2  PHE   7           HE1      PHE   7  -7.649 -10.602  -2.423
   57    HZ   PHE   7           HZ       PHE   7  -8.046  -9.905  -4.770
   58    H    GLU   8           H        GLU   8  -1.043 -13.615  -4.876
   59    HA   GLU   8           HA       GLU   8   0.364 -15.029  -2.887
   60   1HB   GLU   8          1HB       GLU   8   1.306 -14.764  -5.754
   61   2HB   GLU   8          2HB       GLU   8   1.689 -16.036  -4.601
   62   1HG   GLU   8          1HG       GLU   8  -0.901 -15.542  -6.068
   63   2HG   GLU   8          2HG       GLU   8   0.079 -16.995  -6.024
   64    H    VAL   9           H        VAL   9   1.411 -12.017  -4.511
   65    HA   VAL   9           HA       VAL   9   4.055 -12.147  -3.322
   66    HB   VAL   9           HB       VAL   9   2.510  -9.835  -4.563
   67   1HG1  VAL   9          1HG1      VAL   9   4.196  -8.947  -2.936
   68   2HG1  VAL   9          2HG1      VAL   9   5.443  -9.915  -3.736
   69   3HG1  VAL   9          3HG1      VAL   9   4.638  -8.602  -4.613
   70   1HG2  VAL   9          3HG2      VAL   9   3.246 -11.636  -6.143
   71   2HG2  VAL   9          1HG2      VAL   9   4.138 -10.135  -6.412
   72   3HG2  VAL   9          2HG2      VAL   9   4.894 -11.485  -5.538
   73    H    LEU  10           H        LEU  10   0.954 -10.538  -2.319
   74    HA   LEU  10           HA       LEU  10   1.964  -9.473   0.125
   75   1HB   LEU  10          1HB       LEU  10  -0.784 -10.421  -0.629
   76   2HB   LEU  10          2HB       LEU  10  -0.452 -10.023   1.033
   77    HG   LEU  10           HG       LEU  10  -1.547  -8.267  -0.456
   78   1HD1  LEU  10          2HD1      LEU  10  -0.690  -7.829   1.813
   79   2HD1  LEU  10          3HD1      LEU  10   0.916  -7.482   1.144
   80   3HD1  LEU  10          1HD1      LEU  10  -0.462  -6.432   0.749
   81   1HD2  LEU  10          3HD2      LEU  10  -0.029  -8.315  -2.384
   82   2HD2  LEU  10          1HD2      LEU  10  -0.129  -6.713  -1.644
   83   3HD2  LEU  10          2HD2      LEU  10   1.292  -7.728  -1.335
   84    H    LYS  11           H        LYS  11   0.798 -12.784  -0.504
   85    HA   LYS  11           HA       LYS  11   1.034 -13.792   2.142
   86   1HB   LYS  11          1HB       LYS  11   1.478 -15.155  -0.533
   87   2HB   LYS  11          2HB       LYS  11   1.516 -16.017   1.001
   88   1HG   LYS  11          1HG       LYS  11  -0.793 -15.483   1.485
   89   2HG   LYS  11          2HG       LYS  11  -0.900 -14.407   0.077
   90   1HD   LYS  11          1HD       LYS  11  -0.433 -16.298  -1.423
   91   2HD   LYS  11          2HD       LYS  11  -0.340 -17.406  -0.054
   92   1HE   LYS  11          1HE       LYS  11  -2.648 -17.261   0.387
   93   2HE   LYS  11          2HE       LYS  11  -2.826 -15.732  -0.503
   94   1HZ   LYS  11          3HZ       LYS  11  -1.946 -18.028  -2.063
   95   2HZ   LYS  11          1HZ       LYS  11  -3.576 -17.932  -1.665
   96   3HZ   LYS  11          2HZ       LYS  11  -2.749 -16.787  -2.517
   97    H    ASN  12           H        ASN  12   3.639 -12.559   0.239
   98    HA   ASN  12           HA       ASN  12   5.600 -14.178   1.783
   99   1HB   ASN  12          1HB       ASN  12   5.812 -13.010  -1.014
  100   2HB   ASN  12          2HB       ASN  12   7.186 -13.585  -0.076
  101   1HD2  ASN  12          2HD2      ASN  12   4.742 -16.375  -1.751
  102   2HD2  ASN  12          1HD2      ASN  12   4.142 -14.738  -1.701
  103    H    GLU  13           H        GLU  13   7.583 -13.090   2.257
  104    HA   GLU  13           HA       GLU  13   7.256 -10.408   3.341
  105   1HB   GLU  13          1HB       GLU  13   8.508 -12.069   4.531
  106   2HB   GLU  13          2HB       GLU  13   9.456 -12.537   3.139
  107   1HG   GLU  13          1HG       GLU  13   9.701  -9.752   4.321
  108   2HG   GLU  13          2HG       GLU  13  10.523 -11.128   5.056
  109    H    GLY  14           H        GLY  14   7.706  -8.525   2.426
  110   1HA   GLY  14          1HA       GLY  14   9.892  -8.058   0.689
  111   2HA   GLY  14          2HA       GLY  14   8.329  -8.046  -0.179
  112    H    VAL  15           H        VAL  15   9.792  -5.827  -0.131
  113    HA   VAL  15           HA       VAL  15   8.699  -3.946   1.831
  114    HB   VAL  15           HB       VAL  15  10.449  -3.574  -0.658
  115   1HG1  VAL  15          1HG1      VAL  15   9.740  -1.611   1.575
  116   2HG1  VAL  15          2HG1      VAL  15  11.011  -1.343   0.362
  117   3HG1  VAL  15          3HG1      VAL  15   9.335  -1.464  -0.151
  118   1HG2  VAL  15          1HG2      VAL  15  11.649  -4.855   1.097
  119   2HG2  VAL  15          2HG2      VAL  15  12.323  -3.234   0.906
  120   3HG2  VAL  15          3HG2      VAL  15  11.248  -3.582   2.275
  121    H    VAL  16           H        VAL  16   7.271  -2.327   1.168
  122    HA   VAL  16           HA       VAL  16   6.005  -2.424  -1.469
  123    HB   VAL  16           HB       VAL  16   4.517  -2.260   1.175
  124   1HG1  VAL  16          3HG1      VAL  16   3.452  -2.425  -1.673
  125   2HG1  VAL  16          1HG1      VAL  16   2.452  -2.574  -0.222
  126   3HG1  VAL  16          2HG1      VAL  16   3.278  -1.058  -0.552
  127   1HG2  VAL  16          3HG2      VAL  16   4.735  -4.626  -0.693
  128   2HG2  VAL  16          1HG2      VAL  16   5.213  -4.540   1.010
  129   3HG2  VAL  16          2HG2      VAL  16   3.511  -4.468   0.583
  130    H    ALA  17           H        ALA  17   4.955  -0.244  -1.834
  131    HA   ALA  17           HA       ALA  17   5.715   1.885  -0.037
  132   1HB   ALA  17          1HB       ALA  17   7.737   1.317  -1.603
  133   2HB   ALA  17          2HB       ALA  17   6.725   1.901  -2.906
  134   3HB   ALA  17          3HB       ALA  17   7.201   2.997  -1.609
  135    H    ILE  18           H        ILE  18   4.735   3.968  -0.825
  136    HA   ILE  18           HA       ILE  18   2.529   3.669  -2.762
  137    HB   ILE  18           HB       ILE  18   2.251   4.520   0.149
  138   1HG1  ILE  18          1HG1      ILE  18   0.518   2.612  -1.481
  139   2HG1  ILE  18          2HG1      ILE  18   1.914   2.060  -0.557
  140   1HG2  ILE  18          3HG2      ILE  18   0.222   4.977  -2.094
  141   2HG2  ILE  18          1HG2      ILE  18  -0.062   5.285  -0.369
  142   3HG2  ILE  18          2HG2      ILE  18   1.114   6.246  -1.225
  143   1HD1  ILE  18          2HD1      ILE  18  -0.484   3.433   0.694
  144   2HD1  ILE  18          3HD1      ILE  18  -0.166   1.702   0.652
  145   3HD1  ILE  18          1HD1      ILE  18   0.937   2.784   1.537
  146    H    ALA  19           H        ALA  19   2.791   5.381  -4.171
  147    HA   ALA  19           HA       ALA  19   4.367   7.742  -3.273
  148   1HB   ALA  19          3HB       ALA  19   4.739   6.551  -5.630
  149   2HB   ALA  19          1HB       ALA  19   3.330   7.526  -6.079
  150   3HB   ALA  19          2HB       ALA  19   4.783   8.303  -5.448
  151    H    THR  20           H        THR  20   3.060   9.014  -2.069
  152    HA   THR  20           HA       THR  20   0.229   9.179  -2.631
  153    HB   THR  20           HB       THR  20   1.801  10.936  -0.703
  154    HG1  THR  20           HG1      THR  20   2.273   9.292   0.442
  155   1HG2  THR  20          3HG2      THR  20  -0.750  11.152  -1.135
  156   2HG2  THR  20          1HG2      THR  20  -0.896   9.520  -0.470
  157   3HG2  THR  20          2HG2      THR  20  -0.270  10.840   0.535
  158    H    GLN  21           H        GLN  21  -0.601  10.739  -4.290
  159    HA   GLN  21           HA       GLN  21   1.322  12.766  -5.158
  160   1HB   GLN  21          1HB       GLN  21  -0.272  11.679  -6.726
  161   2HB   GLN  21          2HB       GLN  21  -1.622  12.395  -5.823
  162   1HG   GLN  21          1HG       GLN  21  -1.097  13.626  -7.887
  163   2HG   GLN  21          2HG       GLN  21  -0.956  14.627  -6.449
  164   1HE2  GLN  21          2HE2      GLN  21   2.355  15.534  -7.254
  165   2HE2  GLN  21          1HE2      GLN  21   0.870  15.862  -6.381
  166    H    GLY  22           H        GLY  22   1.253  14.917  -4.552
  167   1HA   GLY  22          1HA       GLY  22  -0.897  15.783  -2.652
  168   2HA   GLY  22          2HA       GLY  22   0.813  16.135  -2.305
  169    H    GLU  23           H        GLU  23   2.009  17.472  -3.846
  170    HA   GLU  23           HA       GLU  23   0.673  18.630  -6.155
  171   1HB   GLU  23          1HB       GLU  23  -0.276  19.962  -4.273
  172   2HB   GLU  23          2HB       GLU  23   1.348  20.440  -3.781
  173   1HG   GLU  23          1HG       GLU  23   1.650  21.793  -5.713
  174   2HG   GLU  23          2HG       GLU  23   0.405  20.924  -6.627
  175    H    ASP  24           H        ASP  24   3.257  18.910  -3.719
  176    HA   ASP  24           HA       ASP  24   5.333  19.873  -5.448
  177   1HB   ASP  24          1HB       ASP  24   6.606  19.808  -3.352
  178   2HB   ASP  24          2HB       ASP  24   5.047  20.581  -3.107
  179    H    GLY  25           H        GLY  25   4.308  17.522  -6.453
  180   1HA   GLY  25          1HA       GLY  25   5.255  15.661  -7.535
  181   2HA   GLY  25          2HA       GLY  25   6.637  15.706  -6.427
  182    HA   PRO  26           HA       PRO  26   3.391  12.731  -4.801
  183   1HB   PRO  26          1HB       PRO  26   3.881  10.312  -5.937
  184   2HB   PRO  26          2HB       PRO  26   2.720  11.484  -6.561
  185   1HG   PRO  26          1HG       PRO  26   5.591  11.045  -7.469
  186   2HG   PRO  26          2HG       PRO  26   4.131  11.221  -8.497
  187   1HD   PRO  26          1HD       PRO  26   5.833  13.313  -7.964
  188   2HD   PRO  26          2HD       PRO  26   4.070  13.552  -8.168
  189    H    HIS  27           H        HIS  27   3.903  11.429  -3.184
  190    HA   HIS  27           HA       HIS  27   6.712  11.489  -2.184
  191   1HB   HIS  27          1HB       HIS  27   4.906  12.889  -1.282
  192   2HB   HIS  27          2HB       HIS  27   3.927  11.479  -0.977
  193    HD1  HIS  27           HD1      HIS  27   7.233  10.674   0.576
  194    HD2  HIS  27           HD2      HIS  27   3.756  12.977   1.259
  195    HE1  HIS  27           HE1      HIS  27   7.093  11.105   3.098
  196    H    LEU  28           H        LEU  28   7.565   9.417  -2.705
  197    HA   LEU  28           HA       LEU  28   5.939   7.033  -2.356
  198   1HB   LEU  28          1HB       LEU  28   7.411   7.417  -4.292
  199   2HB   LEU  28          2HB       LEU  28   8.818   7.280  -3.241
  200    HG   LEU  28           HG       LEU  28   8.440   4.932  -2.878
  201   1HD1  LEU  28          3HD1      LEU  28   5.731   5.345  -4.189
  202   2HD1  LEU  28          1HD1      LEU  28   6.428   3.765  -3.930
  203   3HD1  LEU  28          2HD1      LEU  28   6.057   4.793  -2.532
  204   1HD2  LEU  28          3HD2      LEU  28   9.302   5.510  -5.170
  205   2HD2  LEU  28          1HD2      LEU  28   8.360   4.006  -5.163
  206   3HD2  LEU  28          2HD2      LEU  28   7.629   5.497  -5.778
  207    H    VAL  29           H        VAL  29   5.455   6.848  -0.195
  208    HA   VAL  29           HA       VAL  29   7.631   6.573   1.792
  209    HB   VAL  29           HB       VAL  29   5.781   6.289   3.391
  210   1HG1  VAL  29          2HG1      VAL  29   6.619   8.580   2.668
  211   2HG1  VAL  29          3HG1      VAL  29   5.228   8.676   1.586
  212   3HG1  VAL  29          1HG1      VAL  29   4.985   8.560   3.342
  213   1HG2  VAL  29          3HG2      VAL  29   4.083   5.194   1.890
  214   2HG2  VAL  29          1HG2      VAL  29   3.453   6.562   2.821
  215   3HG2  VAL  29          2HG2      VAL  29   3.821   6.770   1.109
  216    H    ASN  30           H        ASN  30   7.420   4.494   3.314
  217    HA   ASN  30           HA       ASN  30   7.119   2.121   1.527
  218   1HB   ASN  30          1HB       ASN  30   9.334   2.876   3.433
  219   2HB   ASN  30          2HB       ASN  30   9.039   1.189   3.061
  220   1HD2  ASN  30          2HD2      ASN  30   9.895   1.680  -0.472
  221   2HD2  ASN  30          1HD2      ASN  30   8.541   0.963   0.400
  222    H    THR  31           H        THR  31   6.998  -0.001   2.596
  223    HA   THR  31           HA       THR  31   6.366  -0.344   5.309
  224    HB   THR  31           HB       THR  31   4.270   0.743   4.751
  225    HG1  THR  31           HG1      THR  31   3.811  -0.636   6.234
  226   1HG2  THR  31          3HG2      THR  31   4.171   0.050   2.291
  227   2HG2  THR  31          1HG2      THR  31   3.586  -1.526   2.894
  228   3HG2  THR  31          2HG2      THR  31   2.666  -0.054   3.212
  229    H    TRP  32           H        TRP  32   5.320  -2.743   5.428
  230    HA   TRP  32           HA       TRP  32   6.910  -4.531   3.642
  231   1HB   TRP  32          1HB       TRP  32   6.534  -4.686   6.661
  232   2HB   TRP  32          2HB       TRP  32   7.116  -6.021   5.681
  233    HD1  TRP  32           HD1      TRP  32   8.274  -2.817   7.265
  234    HE1  TRP  32           HE1      TRP  32  10.758  -2.452   6.865
  235    HE3  TRP  32           HE3      TRP  32   9.114  -6.683   4.052
  236    HZ2  TRP  32           HZ2      TRP  32  12.870  -3.645   5.227
  237    HZ3  TRP  32           HZ3      TRP  32  11.335  -7.025   3.028
  238    HH2  TRP  32           HH2      TRP  32  13.213  -5.498   3.566
  239    H    ASN  33           H        ASN  33   5.822  -6.491   2.983
  240    HA   ASN  33           HA       ASN  33   2.996  -6.361   2.793
  241   1HB   ASN  33          1HB       ASN  33   4.876  -8.754   2.679
  242   2HB   ASN  33          2HB       ASN  33   3.157  -8.881   2.377
  243   1HD2  ASN  33          2HD2      ASN  33   5.340  -8.272  -0.774
  244   2HD2  ASN  33          1HD2      ASN  33   5.366  -9.438   0.552
  245    H    SER  34           H        SER  34   5.043  -7.728   5.272
  246    HA   SER  34           HA       SER  34   3.287  -9.434   6.616
  247   1HB   SER  34          1HB       SER  34   5.823  -9.215   6.814
  248   2HB   SER  34          2HB       SER  34   5.540  -7.811   7.864
  249    HG   SER  34           HG       SER  34   4.125  -9.379   9.052
  250    H    TYR  35           H        TYR  35   2.933  -6.013   6.436
  251    HA   TYR  35           HA       TYR  35   1.432  -5.968   9.035
  252   1HB   TYR  35          1HB       TYR  35   2.624  -3.633   7.512
  253   2HB   TYR  35          2HB       TYR  35   1.928  -3.600   9.118
  254    HD1  TYR  35           HD2      TYR  35   3.527  -6.186  10.121
  255    HD2  TYR  35           HD1      TYR  35   4.605  -2.490   8.164
  256    HE1  TYR  35           HE2      TYR  35   5.795  -6.368  11.046
  257    HE2  TYR  35           HE1      TYR  35   6.870  -2.630   9.153
  258    HH   TYR  35           HH       TYR  35   7.917  -5.392  11.172
  259    H    LEU  36           H        LEU  36   0.857  -6.282   5.738
  260    HA   LEU  36           HA       LEU  36  -1.244  -4.165   5.695
  261   1HB   LEU  36          1HB       LEU  36  -0.245  -5.823   3.349
  262   2HB   LEU  36          2HB       LEU  36  -1.171  -4.325   3.306
  263    HG   LEU  36           HG       LEU  36   1.771  -4.721   3.915
  264   1HD1  LEU  36          1HD1      LEU  36   1.092  -4.573   1.558
  265   2HD1  LEU  36          2HD1      LEU  36   0.286  -3.016   1.875
  266   3HD1  LEU  36          3HD1      LEU  36   2.048  -3.169   2.047
  267   1HD2  LEU  36          3HD2      LEU  36   0.027  -2.347   4.552
  268   2HD2  LEU  36          1HD2      LEU  36   1.268  -3.102   5.555
  269   3HD2  LEU  36          2HD2      LEU  36   1.749  -2.142   4.171
  270    H    LYS  37           H        LYS  37  -3.265  -4.683   4.539
  271    HA   LYS  37           HA       LYS  37  -3.865  -7.560   4.424
  272   1HB   LYS  37          1HB       LYS  37  -5.927  -7.476   5.513
  273   2HB   LYS  37          2HB       LYS  37  -4.699  -6.874   6.634
  274   1HG   LYS  37          1HG       LYS  37  -5.488  -4.649   6.485
  275   2HG   LYS  37          2HG       LYS  37  -6.420  -4.958   5.004
  276   1HD   LYS  37          1HD       LYS  37  -7.956  -6.434   6.177
  277   2HD   LYS  37          2HD       LYS  37  -7.100  -6.160   7.702
  278   1HE   LYS  37          1HE       LYS  37  -8.396  -3.983   5.984
  279   2HE   LYS  37          2HE       LYS  37  -9.169  -4.741   7.382
  280   1HZ   LYS  37          2HZ       LYS  37  -7.180  -3.986   8.674
  281   2HZ   LYS  37          3HZ       LYS  37  -6.751  -3.050   7.396
  282   3HZ   LYS  37          1HZ       LYS  37  -8.169  -2.795   8.213
  283    H    VAL  38           H        VAL  38  -5.349  -8.144   2.882
  284    HA   VAL  38           HA       VAL  38  -6.100  -6.066   0.892
  285    HB   VAL  38           HB       VAL  38  -5.768  -9.073   0.718
  286   1HG1  VAL  38          3HG1      VAL  38  -6.547  -7.076  -1.431
  287   2HG1  VAL  38          1HG1      VAL  38  -5.992  -8.722  -1.775
  288   3HG1  VAL  38          2HG1      VAL  38  -7.477  -8.457  -0.851
  289   1HG2  VAL  38          1HG2      VAL  38  -3.912  -6.944  -0.324
  290   2HG2  VAL  38          2HG2      VAL  38  -3.584  -8.189   0.884
  291   3HG2  VAL  38          3HG2      VAL  38  -3.863  -8.658  -0.788
  292    H    LEU  39           H        LEU  39  -8.374  -5.924   0.489
  293    HA   LEU  39           HA       LEU  39 -10.182  -7.698   2.004
  294   1HB   LEU  39          1HB       LEU  39 -10.383  -4.684   1.600
  295   2HB   LEU  39          2HB       LEU  39 -11.709  -5.679   2.173
  296    HG   LEU  39           HG       LEU  39  -9.064  -5.335   3.650
  297   1HD1  LEU  39          2HD1      LEU  39 -11.840  -4.171   4.130
  298   2HD1  LEU  39          3HD1      LEU  39 -10.459  -4.000   5.224
  299   3HD1  LEU  39          1HD1      LEU  39 -10.400  -3.287   3.597
  300   1HD2  LEU  39          1HD2      LEU  39 -11.651  -6.772   4.417
  301   2HD2  LEU  39          2HD2      LEU  39 -10.046  -7.504   4.211
  302   3HD2  LEU  39          3HD2      LEU  39 -10.342  -6.394   5.552
  303    H    ASP  40           H        ASP  40 -12.499  -7.084   0.968
  304    HA   ASP  40           HA       ASP  40 -12.513  -8.168  -1.659
  305   1HB   ASP  40          1HB       ASP  40 -14.323  -8.480  -0.005
  306   2HB   ASP  40          2HB       ASP  40 -14.698  -6.751  -0.088
  307    H    GLY  41           H        GLY  41 -13.758  -7.046  -3.424
  308   1HA   GLY  41          1HA       GLY  41 -13.526  -5.619  -5.215
  309   2HA   GLY  41          2HA       GLY  41 -13.750  -4.328  -4.020
  310    H    ASN  42           H        ASN  42 -11.065  -6.484  -3.737
  311    HA   ASN  42           HA       ASN  42  -8.885  -6.243  -3.643
  312   1HB   ASN  42          1HB       ASN  42  -7.624  -5.608  -5.513
  313   2HB   ASN  42          2HB       ASN  42  -9.065  -6.424  -6.082
  314   1HD2  ASN  42          2HD2      ASN  42  -8.912  -2.299  -6.718
  315   2HD2  ASN  42          1HD2      ASN  42  -8.229  -3.011  -5.283
  316    H    ARG  43           H        ARG  43 -10.519  -4.226  -2.158
  317    HA   ARG  43           HA       ARG  43  -8.886  -1.797  -2.220
  318   1HB   ARG  43          1HB       ARG  43 -11.381  -2.042  -1.525
  319   2HB   ARG  43          2HB       ARG  43 -10.777  -2.671   0.018
  320   1HG   ARG  43          1HG       ARG  43  -9.495  -0.559   0.355
  321   2HG   ARG  43          2HG       ARG  43 -10.005  -0.009  -1.246
  322   1HD   ARG  43          1HD       ARG  43 -12.452  -0.429  -0.200
  323   2HD   ARG  43          2HD       ARG  43 -11.574  -0.116   1.306
  324    HE   ARG  43           HE       ARG  43 -11.101   1.769  -0.915
  325   1HH1  ARG  43          2HH2      ARG  43 -12.824   1.357   2.220
  326   2HH1  ARG  43          1HH2      ARG  43 -13.683   2.832   2.043
  327   1HH2  ARG  43          2HH1      ARG  43 -11.918   3.772  -0.938
  328   2HH2  ARG  43          1HH1      ARG  43 -12.988   4.384   0.281
  329    H    ILE  44           H        ILE  44  -7.033  -1.404  -0.871
  330    HA   ILE  44           HA       ILE  44  -6.179  -3.807   0.725
  331    HB   ILE  44           HB       ILE  44  -4.252  -1.809  -0.536
  332   1HG1  ILE  44          1HG1      ILE  44  -5.439  -2.667  -2.491
  333   2HG1  ILE  44          2HG1      ILE  44  -3.832  -3.337  -2.410
  334   1HG2  ILE  44          2HG2      ILE  44  -4.129  -4.736   0.412
  335   2HG2  ILE  44          3HG2      ILE  44  -2.785  -3.935  -0.397
  336   3HG2  ILE  44          1HG2      ILE  44  -3.346  -3.361   1.178
  337   1HD1  ILE  44          1HD1      ILE  44  -6.387  -4.815  -1.650
  338   2HD1  ILE  44          2HD1      ILE  44  -5.488  -4.982  -3.167
  339   3HD1  ILE  44          3HD1      ILE  44  -4.754  -5.493  -1.649
  340    H    VAL  45           H        VAL  45  -4.800  -3.111   2.673
  341    HA   VAL  45           HA       VAL  45  -5.275  -0.313   3.505
  342    HB   VAL  45           HB       VAL  45  -5.911  -2.690   5.280
  343   1HG1  VAL  45          1HG1      VAL  45  -6.398   0.298   5.548
  344   2HG1  VAL  45          2HG1      VAL  45  -7.022  -0.913   6.687
  345   3HG1  VAL  45          3HG1      VAL  45  -5.279  -0.672   6.515
  346   1HG2  VAL  45          2HG2      VAL  45  -7.888  -0.963   3.759
  347   2HG2  VAL  45          3HG2      VAL  45  -7.658  -2.712   3.584
  348   3HG2  VAL  45          1HG2      VAL  45  -8.326  -2.058   5.079
  349    H    VAL  46           H        VAL  46  -3.666   0.524   4.655
  350    HA   VAL  46           HA       VAL  46  -1.418  -1.174   5.537
  351    HB   VAL  46           HB       VAL  46  -1.392   1.640   4.367
  352   1HG1  VAL  46          2HG1      VAL  46   0.943  -0.118   5.210
  353   2HG1  VAL  46          3HG1      VAL  46   1.056   1.448   4.375
  354   3HG1  VAL  46          1HG1      VAL  46   0.397   1.373   6.003
  355   1HG2  VAL  46          3HG2      VAL  46  -0.757  -1.018   3.069
  356   2HG2  VAL  46          1HG2      VAL  46  -1.781   0.305   2.497
  357   3HG2  VAL  46          2HG2      VAL  46  -0.023   0.490   2.518
  358    HA   PRO  47           HA       PRO  47  -2.597   1.063   9.338
  359   1HB   PRO  47          1HB       PRO  47  -0.241   0.131  10.719
  360   2HB   PRO  47          2HB       PRO  47  -1.906  -0.401  10.948
  361   1HG   PRO  47          1HG       PRO  47   0.115  -1.992   9.833
  362   2HG   PRO  47          2HG       PRO  47  -1.641  -2.237   9.601
  363   1HD   PRO  47          1HD       PRO  47   0.340  -0.941   7.751
  364   2HD   PRO  47          2HD       PRO  47  -1.072  -1.982   7.389
  365    H    VAL  48           H        VAL  48  -2.161   3.261   9.506
  366    HA   VAL  48           HA       VAL  48   0.502   4.157   8.689
  367    HB   VAL  48           HB       VAL  48  -1.345   5.467   7.788
  368   1HG1  VAL  48          2HG1      VAL  48  -1.870   6.406  10.632
  369   2HG1  VAL  48          3HG1      VAL  48  -2.361   7.273   9.186
  370   3HG1  VAL  48          1HG1      VAL  48  -2.973   5.648   9.452
  371   1HG2  VAL  48          2HG2      VAL  48   1.011   6.283   8.245
  372   2HG2  VAL  48          3HG2      VAL  48  -0.191   7.590   8.160
  373   3HG2  VAL  48          1HG2      VAL  48   0.415   7.051   9.730
  374    H    GLY  49           H        GLY  49   2.024   4.188  10.106
  375   1HA   GLY  49          1HA       GLY  49   1.448   4.708  12.965
  376   2HA   GLY  49          2HA       GLY  49   2.852   3.766  12.326
  377    H    GLY  50           H        GLY  50   3.220   5.912  10.096
  378   1HA   GLY  50          1HA       GLY  50   3.665   8.351  11.566
  379   2HA   GLY  50          2HA       GLY  50   5.147   7.412  11.337
  380    H    MET  51           H        MET  51   2.394   7.603   9.117
  381    HA   MET  51           HA       MET  51   4.155   8.908   7.095
  382   1HB   MET  51          1HB       MET  51   1.510   7.525   6.608
  383   2HB   MET  51          2HB       MET  51   2.461   8.341   5.416
  384   1HG   MET  51          1HG       MET  51   4.180   6.837   5.413
  385   2HG   MET  51          2HG       MET  51   3.826   6.245   7.031
  386   1HE   MET  51          2HE       MET  51   4.614   4.237   5.996
  387   2HE   MET  51          3HE       MET  51   3.629   3.076   5.079
  388   3HE   MET  51          1HE       MET  51   4.443   4.438   4.261
  389    H    HIS  52           H        HIS  52   4.069  10.901   8.212
  390    HA   HIS  52           HA       HIS  52   1.593  12.284   8.837
  391   1HB   HIS  52          1HB       HIS  52   4.468  13.322   8.834
  392   2HB   HIS  52          2HB       HIS  52   3.086  13.983   9.709
  393    HD1  HIS  52           HD1      HIS  52   5.754  11.332   9.888
  394    HD2  HIS  52           HD2      HIS  52   2.104  12.291  11.760
  395    HE1  HIS  52           HE1      HIS  52   5.719  10.053  12.113
  396    H    LYS  53           H        LYS  53   4.334  13.053   6.638
  397    HA   LYS  53           HA       LYS  53   3.018  15.319   5.417
  398   1HB   LYS  53          1HB       LYS  53   5.499  14.967   5.756
  399   2HB   LYS  53          2HB       LYS  53   5.487  13.811   4.457
  400   1HG   LYS  53          1HG       LYS  53   4.494  16.688   4.184
  401   2HG   LYS  53          2HG       LYS  53   6.189  16.250   3.994
  402   1HD   LYS  53          1HD       LYS  53   5.712  14.872   2.067
  403   2HD   LYS  53          2HD       LYS  53   3.964  15.149   2.261
  404   1HE   LYS  53          1HE       LYS  53   4.391  17.620   1.998
  405   2HE   LYS  53          2HE       LYS  53   6.084  17.248   1.619
  406   1HZ   LYS  53          2HZ       LYS  53   5.291  15.987  -0.285
  407   2HZ   LYS  53          3HZ       LYS  53   3.711  16.386   0.082
  408   3HZ   LYS  53          1HZ       LYS  53   4.815  17.506  -0.383
  409    H    THR  54           H        THR  54   3.295  11.842   4.671
  410    HA   THR  54           HA       THR  54   1.685  12.032   2.304
  411    HB   THR  54           HB       THR  54   2.670   9.886   4.061
  412    HG1  THR  54           HG1      THR  54   3.816  10.769   2.351
  413   1HG2  THR  54          1HG2      THR  54   0.399   9.372   2.123
  414   2HG2  THR  54          2HG2      THR  54   1.561   8.133   2.649
  415   3HG2  THR  54          3HG2      THR  54   0.521   8.937   3.831
  416    H    GLU  55           H        GLU  55   0.569  11.691   5.785
  417    HA   GLU  55           HA       GLU  55  -2.149  11.459   5.033
  418   1HB   GLU  55          1HB       GLU  55  -1.265  11.094   7.328
  419   2HB   GLU  55          2HB       GLU  55  -1.084  12.843   7.520
  420   1HG   GLU  55          1HG       GLU  55  -3.474  13.181   7.326
  421   2HG   GLU  55          2HG       GLU  55  -3.727  11.536   6.744
  422    H    ALA  56           H        ALA  56  -0.125  14.353   5.418
  423    HA   ALA  56           HA       ALA  56  -2.202  16.203   4.664
  424   1HB   ALA  56          3HB       ALA  56  -0.101  16.929   5.748
  425   2HB   ALA  56          1HB       ALA  56   0.805  16.514   4.274
  426   3HB   ALA  56          2HB       ALA  56  -0.409  17.802   4.232
  427    H    ASN  57           H        ASN  57   0.278  14.527   2.653
  428    HA   ASN  57           HA       ASN  57  -0.534  15.591   0.169
  429   1HB   ASN  57          1HB       ASN  57   0.707  12.960   0.863
  430   2HB   ASN  57          2HB       ASN  57   0.186  13.213  -0.735
  431   1HD2  ASN  57          2HD2      ASN  57   3.365  14.452  -1.476
  432   2HD2  ASN  57          1HD2      ASN  57   2.239  13.140  -1.653
  433    H    VAL  58           H        VAL  58  -2.015  12.723   1.830
  434    HA   VAL  58           HA       VAL  58  -3.858  12.303  -0.335
  435    HB   VAL  58           HB       VAL  58  -4.129  11.482   2.579
  436   1HG1  VAL  58          3HG1      VAL  58  -5.659  10.556   0.102
  437   2HG1  VAL  58          1HG1      VAL  58  -5.754   9.795   1.706
  438   3HG1  VAL  58          2HG1      VAL  58  -6.342  11.454   1.470
  439   1HG2  VAL  58          1HG2      VAL  58  -3.161  10.049   0.059
  440   2HG2  VAL  58          2HG2      VAL  58  -2.214  10.415   1.512
  441   3HG2  VAL  58          3HG2      VAL  58  -3.501   9.219   1.597
  442    H    ALA  59           H        ALA  59  -4.101  14.255   2.688
  443    HA   ALA  59           HA       ALA  59  -6.719  15.258   2.138
  444   1HB   ALA  59          3HB       ALA  59  -5.568  15.527   4.319
  445   2HB   ALA  59          1HB       ALA  59  -4.420  16.658   3.566
  446   3HB   ALA  59          2HB       ALA  59  -6.139  17.077   3.664
  447    H    ARG  60           H        ARG  60  -3.630  16.029   0.588
  448    HA   ARG  60           HA       ARG  60  -4.823  18.344  -0.745
  449   1HB   ARG  60          1HB       ARG  60  -2.073  17.086  -0.723
  450   2HB   ARG  60          2HB       ARG  60  -2.481  18.125  -2.057
  451   1HG   ARG  60          1HG       ARG  60  -2.532  18.883   0.915
  452   2HG   ARG  60          2HG       ARG  60  -1.341  19.382  -0.296
  453   1HD   ARG  60          1HD       ARG  60  -4.195  20.296   0.047
  454   2HD   ARG  60          2HD       ARG  60  -2.745  21.262  -0.196
  455    HE   ARG  60           HE       ARG  60  -4.176  19.621  -2.262
  456   1HH1  ARG  60          2HH2      ARG  60  -1.927  22.336  -1.633
  457   2HH1  ARG  60          1HH2      ARG  60  -1.588  22.579  -3.307
  458   1HH2  ARG  60          2HH1      ARG  60  -3.762  20.039  -4.474
  459   2HH2  ARG  60          1HH1      ARG  60  -2.725  21.377  -4.905
  460    H    ASP  61           H        ASP  61  -3.832  15.083  -1.796
  461    HA   ASP  61           HA       ASP  61  -5.850  15.249  -3.885
  462   1HB   ASP  61          1HB       ASP  61  -3.853  16.205  -5.030
  463   2HB   ASP  61          2HB       ASP  61  -2.959  14.717  -4.680
  464    H    GLU  62           H        GLU  62  -6.808  13.255  -4.077
  465    HA   GLU  62           HA       GLU  62  -5.829  11.196  -2.274
  466   1HB   GLU  62          1HB       GLU  62  -7.879   9.943  -2.868
  467   2HB   GLU  62          2HB       GLU  62  -8.131  11.550  -2.236
  468   1HG   GLU  62          1HG       GLU  62  -9.513  11.960  -3.928
  469   2HG   GLU  62          2HG       GLU  62  -8.134  11.986  -5.002
  470    H    ARG  63           H        ARG  63  -5.086  11.721  -5.569
  471    HA   ARG  63           HA       ARG  63  -5.105   8.968  -6.476
  472   1HB   ARG  63          1HB       ARG  63  -3.556  11.369  -7.542
  473   2HB   ARG  63          2HB       ARG  63  -3.505   9.749  -8.235
  474   1HG   ARG  63          1HG       ARG  63  -5.063  10.835  -9.568
  475   2HG   ARG  63          2HG       ARG  63  -6.045   9.855  -8.474
  476   1HD   ARG  63          1HD       ARG  63  -5.608  12.383  -7.209
  477   2HD   ARG  63          2HD       ARG  63  -5.988  12.744  -8.882
  478    HE   ARG  63           HE       ARG  63  -7.751  10.827  -7.498
  479   1HH1  ARG  63          2HH2      ARG  63  -7.093  14.228  -7.404
  480   2HH1  ARG  63          1HH2      ARG  63  -8.720  14.772  -7.436
  481   1HH2  ARG  63          2HH1      ARG  63  -9.781  11.359  -7.158
  482   2HH2  ARG  63          1HH1      ARG  63 -10.422  12.988  -7.175
  483    H    VAL  64           H        VAL  64  -3.616   7.325  -6.155
  484    HA   VAL  64           HA       VAL  64  -0.907   8.142  -5.372
  485    HB   VAL  64           HB       VAL  64  -0.732   6.652  -3.524
  486   1HG1  VAL  64          1HG1      VAL  64  -1.757   8.976  -3.105
  487   2HG1  VAL  64          2HG1      VAL  64  -3.289   8.146  -2.914
  488   3HG1  VAL  64          3HG1      VAL  64  -1.918   7.763  -1.840
  489   1HG2  VAL  64          2HG2      VAL  64  -3.650   5.896  -3.922
  490   2HG2  VAL  64          3HG2      VAL  64  -2.245   4.837  -4.167
  491   3HG2  VAL  64          1HG2      VAL  64  -2.615   5.425  -2.551
  492    H    LEU  65           H        LEU  65   0.636   6.543  -5.537
  493    HA   LEU  65           HA       LEU  65   0.044   4.401  -7.546
  494   1HB   LEU  65          1HB       LEU  65   1.921   6.250  -7.926
  495   2HB   LEU  65          2HB       LEU  65   2.758   5.415  -6.615
  496    HG   LEU  65           HG       LEU  65   2.535   3.265  -8.038
  497   1HD1  LEU  65          1HD1      LEU  65   0.845   4.175  -9.636
  498   2HD1  LEU  65          2HD1      LEU  65   2.026   5.375 -10.197
  499   3HD1  LEU  65          3HD1      LEU  65   2.312   3.641 -10.458
  500   1HD2  LEU  65          1HD2      LEU  65   4.270   5.566  -9.030
  501   2HD2  LEU  65          2HD2      LEU  65   4.658   4.463  -7.694
  502   3HD2  LEU  65          3HD2      LEU  65   4.543   3.836  -9.342
  503    H    MET  66           H        MET  66   0.844   2.230  -6.809
  504    HA   MET  66           HA       MET  66   1.928   2.096  -4.043
  505   1HB   MET  66          1HB       MET  66  -0.532   1.807  -3.886
  506   2HB   MET  66          2HB       MET  66  -0.458   0.478  -5.043
  507   1HG   MET  66          1HG       MET  66   0.890  -0.845  -3.455
  508   2HG   MET  66          2HG       MET  66   0.930   0.520  -2.335
  509   1HE   MET  66          2HE       MET  66  -0.078  -0.580  -0.208
  510   2HE   MET  66          3HE       MET  66  -1.479  -1.665  -0.212
  511   3HE   MET  66          1HE       MET  66   0.021  -2.160  -1.025
  512    H    THR  67           H        THR  67   3.840   0.937  -4.250
  513    HA   THR  67           HA       THR  67   3.985  -1.000  -6.543
  514    HB   THR  67           HB       THR  67   6.395  -0.607  -6.538
  515    HG1  THR  67           HG1      THR  67   6.313   0.121  -4.223
  516   1HG2  THR  67          1HG2      THR  67   5.038   0.976  -7.964
  517   2HG2  THR  67          2HG2      THR  67   5.017   2.127  -6.605
  518   3HG2  THR  67          3HG2      THR  67   6.549   1.692  -7.363
  519    H    LEU  68           H        LEU  68   4.264  -3.114  -5.847
  520    HA   LEU  68           HA       LEU  68   5.130  -3.537  -3.031
  521   1HB   LEU  68          1HB       LEU  68   3.741  -5.313  -2.633
  522   2HB   LEU  68          2HB       LEU  68   2.663  -4.102  -3.300
  523    HG   LEU  68           HG       LEU  68   3.863  -6.407  -4.961
  524   1HD1  LEU  68          3HD1      LEU  68   1.210  -6.254  -3.532
  525   2HD1  LEU  68          1HD1      LEU  68   1.709  -7.538  -4.659
  526   3HD1  LEU  68          2HD1      LEU  68   2.563  -7.320  -3.125
  527   1HD2  LEU  68          3HD2      LEU  68   1.600  -4.434  -5.376
  528   2HD2  LEU  68          1HD2      LEU  68   3.063  -4.622  -6.355
  529   3HD2  LEU  68          2HD2      LEU  68   1.840  -5.895  -6.365
  530    H    GLY  69           H        GLY  69   6.094  -5.737  -2.712
  531   1HA   GLY  69          1HA       GLY  69   6.842  -7.230  -5.007
  532   2HA   GLY  69          2HA       GLY  69   8.201  -6.277  -4.371
  533    H    SER  70           H        SER  70   8.809  -8.688  -4.243
  534    HA   SER  70           HA       SER  70   8.669  -9.427  -1.426
  535   1HB   SER  70          1HB       SER  70   6.878 -10.808  -2.336
  536   2HB   SER  70          2HB       SER  70   7.966 -11.397  -3.621
  537    HG   SER  70           HG       SER  70   8.319 -11.671  -0.804
  538    H    ARG  71           H        ARG  71  10.460 -10.481  -0.811
  539    HA   ARG  71           HA       ARG  71  12.774 -10.546  -2.697
  540   1HB   ARG  71          1HB       ARG  71  12.717 -10.517   0.354
  541   2HB   ARG  71          2HB       ARG  71  14.166 -10.607  -0.657
  542   1HG   ARG  71          1HG       ARG  71  13.476  -8.388  -1.707
  543   2HG   ARG  71          2HG       ARG  71  12.226  -8.259  -0.459
  544   1HD   ARG  71          1HD       ARG  71  15.221  -8.519   0.057
  545   2HD   ARG  71          2HD       ARG  71  14.292  -7.005   0.091
  546    HE   ARG  71           HE       ARG  71  12.996  -8.846   1.807
  547   1HH1  ARG  71          2HH2      ARG  71  16.034  -7.016   1.827
  548   2HH1  ARG  71          1HH2      ARG  71  16.123  -6.959   3.555
  549   1HH2  ARG  71          2HH1      ARG  71  13.031  -8.749   3.857
  550   2HH2  ARG  71          1HH1      ARG  71  14.266  -7.998   4.845
  551    H    LYS  72           H        LYS  72  10.345 -12.550  -1.591
  552    HA   LYS  72           HA       LYS  72  12.086 -14.929  -1.213
  553   1HB   LYS  72          1HB       LYS  72   9.077 -14.646  -0.935
  554   2HB   LYS  72          2HB       LYS  72  10.022 -16.030  -0.435
  555   1HG   LYS  72          1HG       LYS  72  10.319 -13.277   0.869
  556   2HG   LYS  72          2HG       LYS  72   9.127 -14.456   1.357
  557   1HD   LYS  72          1HD       LYS  72  10.990 -14.571   2.850
  558   2HD   LYS  72          2HD       LYS  72  10.820 -16.079   1.968
  559   1HE   LYS  72          1HE       LYS  72  13.160 -15.407   2.320
  560   2HE   LYS  72          2HE       LYS  72  12.771 -15.592   0.607
  561   1HZ   LYS  72          3HZ       LYS  72  12.626 -12.933   1.875
  562   2HZ   LYS  72          1HZ       LYS  72  14.079 -13.538   1.376
  563   3HZ   LYS  72          2HZ       LYS  72  12.881 -13.321   0.295
  564    H    VAL  73           H        VAL  73  10.507 -13.350  -3.876
  565    HA   VAL  73           HA       VAL  73  10.337 -15.985  -5.218
  566    HB   VAL  73           HB       VAL  73   8.205 -13.826  -5.338
  567   1HG1  VAL  73          2HG1      VAL  73   8.453 -15.057  -7.478
  568   2HG1  VAL  73          3HG1      VAL  73   8.307 -16.601  -6.606
  569   3HG1  VAL  73          1HG1      VAL  73   6.937 -15.474  -6.678
  570   1HG2  VAL  73          1HG2      VAL  73   8.117 -16.552  -3.991
  571   2HG2  VAL  73          2HG2      VAL  73   7.958 -14.965  -3.208
  572   3HG2  VAL  73          3HG2      VAL  73   6.699 -15.526  -4.299
  573    H    ALA  74           H        ALA  74  11.051 -15.888  -7.356
  574    HA   ALA  74           HA       ALA  74  12.804 -13.638  -7.862
  575   1HB   ALA  74          2HB       ALA  74  13.564 -15.962  -8.271
  576   2HB   ALA  74          3HB       ALA  74  12.278 -16.166  -9.489
  577   3HB   ALA  74          1HB       ALA  74  13.593 -15.007  -9.767
  578    H    GLY  75           H        GLY  75  12.514 -11.991  -9.205
  579   1HA   GLY  75          1HA       GLY  75  10.219 -12.038 -11.119
  580   2HA   GLY  75          2HA       GLY  75  10.641 -10.629 -10.168
  581    H    ARG  76           H        ARG  76  11.782  -9.187 -11.144
  582    HA   ARG  76           HA       ARG  76  13.369  -9.809 -13.596
  583   1HB   ARG  76          1HB       ARG  76  12.280  -7.126 -12.749
  584   2HB   ARG  76          2HB       ARG  76  13.203  -7.455 -14.200
  585   1HG   ARG  76          1HG       ARG  76  10.374  -8.430 -13.570
  586   2HG   ARG  76          2HG       ARG  76  10.833  -7.124 -14.651
  587   1HD   ARG  76          1HD       ARG  76  10.251  -9.010 -15.983
  588   2HD   ARG  76          2HD       ARG  76  11.993  -8.705 -16.143
  589    HE   ARG  76           HE       ARG  76  11.637 -10.541 -14.053
  590   1HH1  ARG  76          2HH2      ARG  76  11.158 -10.543 -17.534
  591   2HH1  ARG  76          1HH2      ARG  76  11.624 -12.193 -17.772
  592   1HH2  ARG  76          2HH1      ARG  76  12.292 -12.626 -14.263
  593   2HH2  ARG  76          1HH1      ARG  76  12.276 -13.479 -15.776
  594    H    ASN  77           H        ASN  77  13.726  -7.112 -11.192
  595    HA   ASN  77           HA       ASN  77  16.535  -7.525 -11.429
  596   1HB   ASN  77          1HB       ASN  77  16.884  -5.758  -9.925
  597   2HB   ASN  77          2HB       ASN  77  15.576  -5.297 -10.998
  598   1HD2  ASN  77          2HD2      ASN  77  13.209  -4.984  -8.341
  599   2HD2  ASN  77          1HD2      ASN  77  13.355  -5.179 -10.089
  600    H    GLY  78           H        GLY  78  17.299  -9.422 -10.789
  601   1HA   GLY  78          1HA       GLY  78  18.175 -10.986  -9.330
  602   2HA   GLY  78          2HA       GLY  78  17.749  -9.898  -7.992
  603    HA   PRO  79           HA       PRO  79  14.805 -13.461  -7.769
  604   1HB   PRO  79          1HB       PRO  79  15.451 -14.497  -5.339
  605   2HB   PRO  79          2HB       PRO  79  16.416 -14.854  -6.804
  606   1HG   PRO  79          1HG       PRO  79  16.978 -12.744  -4.687
  607   2HG   PRO  79          2HG       PRO  79  18.106 -13.975  -5.340
  608   1HD   PRO  79          1HD       PRO  79  17.981 -11.395  -6.293
  609   2HD   PRO  79          2HD       PRO  79  18.389 -12.783  -7.347
  610    H    GLY  80           H        GLY  80  13.922 -11.065  -7.764
  611   1HA   GLY  80          1HA       GLY  80  12.314 -10.711  -5.333
  612   2HA   GLY  80          2HA       GLY  80  13.290  -9.357  -5.962
  613    H    THR  81           H        THR  81  10.241 -10.615  -6.023
  614    HA   THR  81           HA       THR  81   9.699  -9.504  -8.759
  615    HB   THR  81           HB       THR  81   9.391 -11.969  -8.412
  616    HG1  THR  81           HG1      THR  81   8.014 -11.903  -9.926
  617   1HG2  THR  81          1HG2      THR  81   8.216 -11.780  -6.188
  618   2HG2  THR  81          2HG2      THR  81   6.815 -11.101  -7.042
  619   3HG2  THR  81          3HG2      THR  81   7.343 -12.757  -7.398
  620    H    GLY  82           H        GLY  82   7.245  -8.711  -8.938
  621   1HA   GLY  82          1HA       GLY  82   5.896  -7.595  -6.781
  622   2HA   GLY  82          2HA       GLY  82   7.184  -6.441  -7.211
  623    H    PHE  83           H        PHE  83   5.130  -5.124  -7.550
  624    HA   PHE  83           HA       PHE  83   4.567  -4.971 -10.405
  625   1HB   PHE  83          1HB       PHE  83   2.226  -5.206  -8.448
  626   2HB   PHE  83          2HB       PHE  83   2.111  -4.875 -10.136
  627    HD1  PHE  83           HD2      PHE  83   2.732  -7.541  -7.627
  628    HD2  PHE  83           HD1      PHE  83   2.201  -6.614 -11.803
  629    HE1  PHE  83           HE2      PHE  83   2.361  -9.942  -8.110
  630    HE2  PHE  83           HE1      PHE  83   1.863  -9.021 -12.292
  631    HZ   PHE  83           HZ       PHE  83   1.954 -10.678 -10.455
  632    H    LEU  84           H        LEU  84   3.489  -3.015 -10.928
  633    HA   LEU  84           HA       LEU  84   3.798  -0.760  -9.016
  634   1HB   LEU  84          1HB       LEU  84   5.277  -0.561 -10.914
  635   2HB   LEU  84          2HB       LEU  84   3.990  -0.923 -12.060
  636    HG   LEU  84           HG       LEU  84   3.561   1.418 -10.201
  637   1HD1  LEU  84          1HD1      LEU  84   5.471   1.516 -12.576
  638   2HD1  LEU  84          2HD1      LEU  84   4.869   2.920 -11.670
  639   3HD1  LEU  84          3HD1      LEU  84   5.905   1.735 -10.863
  640   1HD2  LEU  84          1HD2      LEU  84   3.079   0.994 -13.184
  641   2HD2  LEU  84          2HD2      LEU  84   1.847   0.808 -11.925
  642   3HD2  LEU  84          3HD2      LEU  84   2.547   2.397 -12.258
  643    H    ILE  85           H        ILE  85   1.751   0.126  -8.441
  644    HA   ILE  85           HA       ILE  85  -0.583  -0.726 -10.050
  645    HB   ILE  85           HB       ILE  85  -0.504  -0.763  -7.005
  646   1HG1  ILE  85          1HG1      ILE  85   0.138  -3.041  -8.910
  647   2HG1  ILE  85          2HG1      ILE  85   1.107  -2.456  -7.573
  648   1HG2  ILE  85          3HG2      ILE  85  -2.737  -0.627  -8.190
  649   2HG2  ILE  85          1HG2      ILE  85  -2.377  -2.198  -8.915
  650   3HG2  ILE  85          2HG2      ILE  85  -2.521  -2.016  -7.158
  651   1HD1  ILE  85          1HD1      ILE  85  -1.528  -3.966  -7.268
  652   2HD1  ILE  85          2HD1      ILE  85   0.082  -4.604  -7.091
  653   3HD1  ILE  85          3HD1      ILE  85  -0.496  -3.354  -5.953
  654    H    ARG  86           H        ARG  86  -2.413   0.630  -9.773
  655    HA   ARG  86           HA       ARG  86  -1.796   3.418  -8.878
  656   1HB   ARG  86          1HB       ARG  86  -3.387   2.465 -11.308
  657   2HB   ARG  86          2HB       ARG  86  -3.061   4.148 -10.883
  658   1HG   ARG  86          1HG       ARG  86  -0.699   3.902 -11.401
  659   2HG   ARG  86          2HG       ARG  86  -0.842   2.146 -11.552
  660   1HD   ARG  86          1HD       ARG  86  -2.439   2.489 -13.462
  661   2HD   ARG  86          2HD       ARG  86  -2.009   4.204 -13.445
  662    HE   ARG  86           HE       ARG  86  -0.333   1.848 -14.180
  663   1HH1  ARG  86          2HH2      ARG  86  -0.334   5.357 -13.738
  664   2HH1  ARG  86          1HH2      ARG  86   1.100   5.610 -14.678
  665   1HH2  ARG  86          2HH1      ARG  86   1.497   2.134 -15.400
  666   2HH2  ARG  86          1HH1      ARG  86   2.196   3.676 -15.675
  667    H    GLY  87           H        GLY  87  -3.518   4.477  -7.763
  668   1HA   GLY  87          1HA       GLY  87  -6.240   3.674  -7.882
  669   2HA   GLY  87          2HA       GLY  87  -5.461   2.975  -6.444
  670    H    SER  88           H        SER  88  -7.105   4.447  -5.362
  671    HA   SER  88           HA       SER  88  -5.825   7.096  -4.897
  672   1HB   SER  88          1HB       SER  88  -8.786   6.447  -4.706
  673   2HB   SER  88          2HB       SER  88  -7.995   7.989  -4.338
  674    HG   SER  88           HG       SER  88  -8.484   8.346  -6.343
  675    H    ALA  89           H        ALA  89  -5.661   7.745  -2.706
  676    HA   ALA  89           HA       ALA  89  -5.704   5.525  -0.709
  677   1HB   ALA  89          3HB       ALA  89  -4.498   8.320  -0.737
  678   2HB   ALA  89          1HB       ALA  89  -4.484   7.249   0.675
  679   3HB   ALA  89          2HB       ALA  89  -3.627   6.768  -0.793
  680    H    ALA  90           H        ALA  90  -6.711   5.999   1.398
  681    HA   ALA  90           HA       ALA  90  -8.187   8.475   1.817
  682   1HB   ALA  90          3HB       ALA  90  -9.614   5.767   1.621
  683   2HB   ALA  90          1HB       ALA  90 -10.333   7.258   2.277
  684   3HB   ALA  90          2HB       ALA  90  -9.873   7.178   0.565
  685    H    PHE  91           H        PHE  91  -7.541   8.940   3.900
  686    HA   PHE  91           HA       PHE  91  -6.665   6.806   5.710
  687   1HB   PHE  91          1HB       PHE  91  -6.879   9.827   5.930
  688   2HB   PHE  91          2HB       PHE  91  -6.577   8.812   7.334
  689    HD1  PHE  91           HD1      PHE  91  -4.540   7.474   7.573
  690    HD2  PHE  91           HD2      PHE  91  -5.116  10.081   4.189
  691    HE1  PHE  91           HE1      PHE  91  -2.126   7.302   6.987
  692    HE2  PHE  91           HE2      PHE  91  -2.687   9.872   3.654
  693    HZ   PHE  91           HZ       PHE  91  -1.211   8.506   5.069
  694    H    ARG  92           H        ARG  92  -7.881   5.885   7.276
  695    HA   ARG  92           HA       ARG  92 -10.641   6.930   7.803
  696   1HB   ARG  92          1HB       ARG  92  -9.739   4.157   6.980
  697   2HB   ARG  92          2HB       ARG  92 -11.235   4.405   7.862
  698   1HG   ARG  92          1HG       ARG  92 -10.686   5.998   5.349
  699   2HG   ARG  92          2HG       ARG  92 -11.228   4.365   5.236
  700   1HD   ARG  92          1HD       ARG  92 -12.666   6.513   6.879
  701   2HD   ARG  92          2HD       ARG  92 -13.005   6.253   5.199
  702    HE   ARG  92           HE       ARG  92 -14.347   5.006   7.243
  703   1HH1  ARG  92          2HH2      ARG  92 -12.515   3.564   4.595
  704   2HH1  ARG  92          1HH2      ARG  92 -13.312   2.035   4.716
  705   1HH2  ARG  92          2HH1      ARG  92 -15.547   3.224   7.219
  706   2HH2  ARG  92          1HH1      ARG  92 -15.129   1.849   6.197
  707    H    THR  93           H        THR  93 -11.150   6.895   9.944
  708    HA   THR  93           HA       THR  93  -9.687   5.169  11.863
  709    HB   THR  93           HB       THR  93 -10.316   6.994  13.503
  710    HG1  THR  93           HG1      THR  93 -11.811   8.137  12.422
  711   1HG2  THR  93          1HG2      THR  93  -8.012   6.799  12.632
  712   2HG2  THR  93          2HG2      THR  93  -8.440   7.821  11.239
  713   3HG2  THR  93          3HG2      THR  93  -8.472   8.493  12.880
  714    H    ASP  94           H        ASP  94 -11.673   4.259  10.155
  715    HA   ASP  94           HA       ASP  94 -13.991   3.583  11.745
  716   1HB   ASP  94          1HB       ASP  94 -14.700   5.730  10.870
  717   2HB   ASP  94          2HB       ASP  94 -13.977   5.409   9.291
  718    H    GLY  95           H        GLY  95 -15.279   2.047  10.552
  719   1HA   GLY  95          1HA       GLY  95 -15.801   0.433   9.058
  720   2HA   GLY  95          2HA       GLY  95 -14.407   0.899   8.073
  721    HA   PRO  96           HA       PRO  96 -13.531  -3.306   9.940
  722   1HB   PRO  96          1HB       PRO  96 -13.353  -4.699   7.577
  723   2HB   PRO  96          2HB       PRO  96 -14.887  -4.490   8.475
  724   1HG   PRO  96          1HG       PRO  96 -13.871  -2.841   6.135
  725   2HG   PRO  96          2HG       PRO  96 -15.488  -3.593   6.337
  726   1HD   PRO  96          1HD       PRO  96 -15.076  -0.987   6.941
  727   2HD   PRO  96          2HD       PRO  96 -16.119  -1.999   7.981
  728    H    GLU  97           H        GLU  97 -12.375  -1.055   7.466
  729    HA   GLU  97           HA       GLU  97  -9.746  -2.097   7.205
  730   1HB   GLU  97          1HB       GLU  97 -10.684   0.802   6.958
  731   2HB   GLU  97          2HB       GLU  97  -9.156   0.111   6.426
  732   1HG   GLU  97          1HG       GLU  97 -10.150  -0.131   4.433
  733   2HG   GLU  97          2HG       GLU  97 -10.858  -1.569   5.130
  734    H    PHE  98           H        PHE  98 -10.989   0.690   9.188
  735    HA   PHE  98           HA       PHE  98  -8.585   0.893  10.699
  736   1HB   PHE  98          1HB       PHE  98 -10.169   2.749  10.413
  737   2HB   PHE  98          2HB       PHE  98 -11.332   1.882  11.438
  738    HD1  PHE  98           HD1      PHE  98  -7.745   3.007  11.438
  739    HD2  PHE  98           HD2      PHE  98 -11.301   2.337  13.780
  740    HE1  PHE  98           HE1      PHE  98  -6.549   3.791  13.491
  741    HE2  PHE  98           HE2      PHE  98 -10.124   3.154  15.793
  742    HZ   PHE  98           HZ       PHE  98  -7.739   3.860  15.655
  743    H    GLU  99           H        GLU  99 -11.638  -1.008  11.379
  744    HA   GLU  99           HA       GLU  99 -10.663  -1.682  13.937
  745   1HB   GLU  99          1HB       GLU  99 -12.648  -3.005  12.116
  746   2HB   GLU  99          2HB       GLU  99 -12.115  -3.862  13.555
  747   1HG   GLU  99          1HG       GLU  99 -13.133  -0.989  13.728
  748   2HG   GLU  99          2HG       GLU  99 -14.232  -2.383  13.740
  749    H    ALA 100           H        ALA 100 -10.203  -3.522  10.836
  750    HA   ALA 100           HA       ALA 100  -8.812  -5.572  12.293
  751   1HB   ALA 100          2HB       ALA 100  -8.976  -4.897   9.395
  752   2HB   ALA 100          3HB       ALA 100  -7.914  -6.210   9.999
  753   3HB   ALA 100          1HB       ALA 100  -9.675  -6.253  10.264
  754    H    ILE 101           H        ILE 101  -7.665  -2.409  11.003
  755    HA   ILE 101           HA       ILE 101  -4.914  -3.330  11.812
  756    HB   ILE 101           HB       ILE 101  -3.974  -1.291  11.183
  757   1HG1  ILE 101          1HG1      ILE 101  -5.534   0.289   9.750
  758   2HG1  ILE 101          2HG1      ILE 101  -6.788  -0.297  10.848
  759   1HG2  ILE 101          1HG2      ILE 101  -4.480  -3.111   9.488
  760   2HG2  ILE 101          2HG2      ILE 101  -5.797  -2.030   8.919
  761   3HG2  ILE 101          3HG2      ILE 101  -4.118  -1.495   8.862
  762   1HD1  ILE 101          2HD1      ILE 101  -4.180   1.078  11.616
  763   2HD1  ILE 101          3HD1      ILE 101  -5.771   1.849  11.549
  764   3HD1  ILE 101          1HD1      ILE 101  -5.468   0.605  12.757
  765    H    ALA 102           H        ALA 102  -7.569  -1.668  13.415
  766    HA   ALA 102           HA       ALA 102  -6.073  -0.070  15.158
  767   1HB   ALA 102          3HB       ALA 102  -8.788  -1.367  15.595
  768   2HB   ALA 102          1HB       ALA 102  -8.058  -0.180  16.692
  769   3HB   ALA 102          2HB       ALA 102  -8.431   0.282  15.034
  770    H    ARG 103           H        ARG 103  -6.957  -3.461  15.597
  771    HA   ARG 103           HA       ARG 103  -5.867  -3.664  18.218
  772   1HB   ARG 103          1HB       ARG 103  -5.772  -6.139  17.959
  773   2HB   ARG 103          2HB       ARG 103  -7.308  -5.328  18.023
  774   1HG   ARG 103          1HG       ARG 103  -6.086  -6.224  15.399
  775   2HG   ARG 103          2HG       ARG 103  -7.035  -7.306  16.419
  776   1HD   ARG 103          1HD       ARG 103  -8.007  -4.701  15.277
  777   2HD   ARG 103          2HD       ARG 103  -8.359  -6.268  14.583
  778    HE   ARG 103           HE       ARG 103  -9.590  -6.786  16.713
  779   1HH1  ARG 103          2HH2      ARG 103  -9.406  -3.420  15.515
  780   2HH1  ARG 103          1HH2      ARG 103 -10.844  -2.921  16.328
  781   1HH2  ARG 103          2HH1      ARG 103 -11.797  -6.093  17.430
  782   2HH2  ARG 103          1HH1      ARG 103 -12.256  -4.482  16.967
  783    H    PHE 104           H        PHE 104  -4.052  -3.001  15.508
  784    HA   PHE 104           HA       PHE 104  -1.609  -4.396  16.270
  785   1HB   PHE 104          1HB       PHE 104  -2.120  -1.855  14.648
  786   2HB   PHE 104          2HB       PHE 104  -0.544  -2.513  14.941
  787    HD1  PHE 104           HD2      PHE 104  -3.628  -4.468  13.779
  788    HD2  PHE 104           HD1      PHE 104   0.319  -2.946  12.867
  789    HE1  PHE 104           HE2      PHE 104  -3.661  -5.644  11.633
  790    HE2  PHE 104           HE1      PHE 104   0.275  -4.175  10.731
  791    HZ   PHE 104           HZ       PHE 104  -1.715  -5.464  10.054
  792    H    LYS 105           H        LYS 105   0.325  -2.597  16.943
  793    HA   LYS 105           HA       LYS 105  -0.815  -1.017  19.201
  794   1HB   LYS 105          1HB       LYS 105   0.015  -3.268  19.830
  795   2HB   LYS 105          2HB       LYS 105   1.641  -2.815  19.286
  796   1HG   LYS 105          1HG       LYS 105   1.935  -1.296  21.021
  797   2HG   LYS 105          2HG       LYS 105   0.195  -1.020  21.221
  798   1HD   LYS 105          1HD       LYS 105  -0.039  -3.270  22.262
  799   2HD   LYS 105          2HD       LYS 105   1.703  -3.525  22.071
  800   1HE   LYS 105          1HE       LYS 105   1.206  -2.807  24.360
  801   2HE   LYS 105          2HE       LYS 105   2.186  -1.596  23.522
  802   1HZ   LYS 105          2HZ       LYS 105  -0.744  -1.430  23.919
  803   2HZ   LYS 105          3HZ       LYS 105   0.386  -0.581  24.763
  804   3HZ   LYS 105          1HZ       LYS 105   0.184  -0.307  23.157
  805    H    TRP 106           H        TRP 106   0.314  -0.355  16.393
  806    HA   TRP 106           HA       TRP 106   1.675   2.075  17.345
  807   1HB   TRP 106          1HB       TRP 106   3.305   1.860  15.444
  808   2HB   TRP 106          2HB       TRP 106   3.544   0.777  16.792
  809    HD1  TRP 106           HD1      TRP 106   3.570  -1.759  16.346
  810    HE1  TRP 106           HE1      TRP 106   3.593  -3.209  14.220
  811    HE3  TRP 106           HE3      TRP 106   2.121   1.761  12.941
  812    HZ2  TRP 106           HZ2      TRP 106   3.108  -2.861  11.391
  813    HZ3  TRP 106           HZ3      TRP 106   1.916   1.189  10.557
  814    HH2  TRP 106           HH2      TRP 106   2.435  -1.094   9.751
  815    H    ALA 107           H        ALA 107  -1.084   1.127  16.164
  816    HA   ALA 107           HA       ALA 107  -1.131   2.358  13.509
  817   1HB   ALA 107          2HB       ALA 107  -3.259   1.100  15.312
  818   2HB   ALA 107          3HB       ALA 107  -3.585   1.795  13.725
  819   3HB   ALA 107          1HB       ALA 107  -2.515   0.383  13.855
  820    H    ARG 108           H        ARG 108  -1.824   4.338  13.066
  821    HA   ARG 108           HA       ARG 108  -3.234   6.011  15.084
  822   1HB   ARG 108          1HB       ARG 108  -1.046   6.756  14.777
  823   2HB   ARG 108          2HB       ARG 108  -1.076   6.554  13.050
  824   1HG   ARG 108          1HG       ARG 108  -0.936   8.856  13.955
  825   2HG   ARG 108          2HG       ARG 108  -2.023   8.531  12.629
  826   1HD   ARG 108          1HD       ARG 108  -3.340   8.509  15.295
  827   2HD   ARG 108          2HD       ARG 108  -2.581  10.050  14.878
  828    HE   ARG 108           HE       ARG 108  -4.894   8.807  13.666
  829   1HH1  ARG 108          2HH2      ARG 108  -2.272  11.155  12.905
  830   2HH1  ARG 108          1HH2      ARG 108  -2.959  11.541  11.362
  831   1HH2  ARG 108          2HH1      ARG 108  -5.869   9.607  11.696
  832   2HH2  ARG 108          1HH1      ARG 108  -4.878  10.592  10.661
  833    H    ALA 109           H        ALA 109  -3.425   4.642  11.894
  834    HA   ALA 109           HA       ALA 109  -6.206   5.056  11.652
  835   1HB   ALA 109          2HB       ALA 109  -4.557   7.003   9.974
  836   2HB   ALA 109          3HB       ALA 109  -6.213   6.534   9.605
  837   3HB   ALA 109          1HB       ALA 109  -5.838   7.373  11.113
  838    H    ALA 110           H        ALA 110  -6.980   4.296   9.473
  839    HA   ALA 110           HA       ALA 110  -5.240   2.149   8.388
  840   1HB   ALA 110          2HB       ALA 110  -8.243   2.725   8.245
  841   2HB   ALA 110          3HB       ALA 110  -7.426   1.525   7.242
  842   3HB   ALA 110          1HB       ALA 110  -7.437   1.331   8.996
  843    H    LEU 111           H        LEU 111  -4.049   2.855   6.694
  844    HA   LEU 111           HA       LEU 111  -4.967   5.087   4.959
  845   1HB   LEU 111          1HB       LEU 111  -2.642   5.153   5.599
  846   2HB   LEU 111          2HB       LEU 111  -2.402   3.458   5.208
  847    HG   LEU 111           HG       LEU 111  -2.615   3.876   2.836
  848   1HD1  LEU 111          3HD1      LEU 111  -3.312   6.736   3.612
  849   2HD1  LEU 111          1HD1      LEU 111  -2.818   6.253   1.984
  850   3HD1  LEU 111          2HD1      LEU 111  -4.308   5.602   2.683
  851   1HD2  LEU 111          2HD2      LEU 111  -0.415   4.249   3.887
  852   2HD2  LEU 111          3HD2      LEU 111  -0.650   5.316   2.494
  853   3HD2  LEU 111          1HD2      LEU 111  -0.815   5.962   4.137
  854    H    VAL 112           H        VAL 112  -6.738   4.228   3.942
  855    HA   VAL 112           HA       VAL 112  -6.729   1.450   2.978
  856    HB   VAL 112           HB       VAL 112  -8.887   3.617   2.790
  857   1HG1  VAL 112          3HG1      VAL 112  -8.961   0.590   2.497
  858   2HG1  VAL 112          1HG1      VAL 112 -10.378   1.660   2.531
  859   3HG1  VAL 112          2HG1      VAL 112  -9.196   1.795   1.219
  860   1HG2  VAL 112          3HG2      VAL 112  -8.360   1.561   4.952
  861   2HG2  VAL 112          1HG2      VAL 112  -8.495   3.321   5.133
  862   3HG2  VAL 112          2HG2      VAL 112  -9.930   2.378   4.735
  863    H    ILE 113           H        ILE 113  -6.034   1.025   0.891
  864    HA   ILE 113           HA       ILE 113  -6.039   3.331  -1.010
  865    HB   ILE 113           HB       ILE 113  -4.435   0.779  -1.274
  866   1HG1  ILE 113          1HG1      ILE 113  -3.403   1.853   0.585
  867   2HG1  ILE 113          2HG1      ILE 113  -2.464   2.286  -0.835
  868   1HG2  ILE 113          2HG2      ILE 113  -4.968   1.908  -3.413
  869   2HG2  ILE 113          3HG2      ILE 113  -4.351   3.436  -2.789
  870   3HG2  ILE 113          1HG2      ILE 113  -3.249   2.066  -3.037
  871   1HD1  ILE 113          2HD1      ILE 113  -3.697   4.485  -0.905
  872   2HD1  ILE 113          3HD1      ILE 113  -4.315   4.091   0.709
  873   3HD1  ILE 113          1HD1      ILE 113  -2.579   4.250   0.438
  874    H    THR 114           H        THR 114  -7.414   3.268  -2.580
  875    HA   THR 114           HA       THR 114  -9.127   0.892  -3.077
  876    HB   THR 114           HB       THR 114  -9.524   3.808  -3.907
  877    HG1  THR 114           HG1      THR 114  -9.558   3.836  -1.770
  878   1HG2  THR 114          1HG2      THR 114 -11.473   1.461  -3.643
  879   2HG2  THR 114          2HG2      THR 114 -11.885   3.123  -4.133
  880   3HG2  THR 114          3HG2      THR 114 -10.850   2.129  -5.169
  881    H    VAL 115           H        VAL 115  -7.327  -0.084  -4.011
  882    HA   VAL 115           HA       VAL 115  -5.798   0.866  -6.249
  883    HB   VAL 115           HB       VAL 115  -6.432  -1.824  -4.975
  884   1HG1  VAL 115          2HG1      VAL 115  -4.734  -1.257  -7.402
  885   2HG1  VAL 115          3HG1      VAL 115  -4.481  -2.665  -6.346
  886   3HG1  VAL 115          1HG1      VAL 115  -6.014  -2.470  -7.210
  887   1HG2  VAL 115          1HG2      VAL 115  -3.941  -0.062  -5.040
  888   2HG2  VAL 115          2HG2      VAL 115  -4.989  -0.392  -3.639
  889   3HG2  VAL 115          3HG2      VAL 115  -4.014  -1.684  -4.328
  890    H    VAL 116           H        VAL 116  -5.983   0.227  -8.482
  891    HA   VAL 116           HA       VAL 116  -8.745  -0.456  -9.325
  892    HB   VAL 116           HB       VAL 116  -6.945   1.765 -10.373
  893   1HG1  VAL 116          2HG1      VAL 116  -9.689   0.815 -11.319
  894   2HG1  VAL 116          3HG1      VAL 116  -8.862   2.284 -11.871
  895   3HG1  VAL 116          1HG1      VAL 116  -8.165   0.706 -12.232
  896   1HG2  VAL 116          3HG2      VAL 116  -9.639   1.851  -8.929
  897   2HG2  VAL 116          1HG2      VAL 116  -8.091   2.416  -8.282
  898   3HG2  VAL 116          2HG2      VAL 116  -8.815   3.249  -9.652
  899    H    SER 117           H        SER 117  -5.256  -0.100 -10.374
  900    HA   SER 117           HA       SER 117  -5.454  -2.739 -11.529
  901   1HB   SER 117          1HB       SER 117  -5.018  -0.304 -13.320
  902   2HB   SER 117          2HB       SER 117  -4.732  -1.980 -13.828
  903    HG   SER 117           HG       SER 117  -7.164  -1.683 -12.648
  904    H    ALA 118           H        ALA 118  -3.551  -3.757 -11.889
  905    HA   ALA 118           HA       ALA 118  -1.024  -2.465 -11.049
  906   1HB   ALA 118          2HB       ALA 118  -1.933  -5.387 -10.937
  907   2HB   ALA 118          3HB       ALA 118  -0.326  -4.794 -10.483
  908   3HB   ALA 118          1HB       ALA 118  -1.739  -4.304  -9.541
  909    H    GLU 119           H        GLU 119   0.838  -3.054 -12.204
  910    HA   GLU 119           HA       GLU 119   0.711  -4.732 -14.597
  911   1HB   GLU 119          1HB       GLU 119   1.820  -3.032 -15.946
  912   2HB   GLU 119          2HB       GLU 119   0.263  -2.446 -15.367
  913   1HG   GLU 119          1HG       GLU 119   1.883  -1.478 -13.382
  914   2HG   GLU 119          2HG       GLU 119   3.031  -1.526 -14.704
  915    H    GLN 120           H        GLN 120   3.095  -5.413 -15.122
  916    HA   GLN 120           HA       GLN 120   4.617  -5.484 -12.550
  917   1HB   GLN 120          1HB       GLN 120   3.872  -7.684 -13.342
  918   2HB   GLN 120          2HB       GLN 120   4.711  -7.441 -14.881
  919   1HG   GLN 120          1HG       GLN 120   6.851  -7.533 -13.860
  920   2HG   GLN 120          2HG       GLN 120   6.206  -7.143 -12.269
  921   1HE2  GLN 120          2HE2      GLN 120   5.556 -10.478 -11.334
  922   2HE2  GLN 120          1HE2      GLN 120   5.311  -8.778 -10.935
  923    H    THR 121           H        THR 121   6.643  -4.498 -12.515
  924    HA   THR 121           HA       THR 121   7.855  -3.763 -15.124
  925    HB   THR 121           HB       THR 121   8.263  -1.503 -14.168
  926    HG1  THR 121           HG1      THR 121   7.126  -0.881 -12.336
  927   1HG2  THR 121          1HG2      THR 121   6.165  -1.949 -15.537
  928   2HG2  THR 121          2HG2      THR 121   5.279  -2.160 -14.015
  929   3HG2  THR 121          3HG2      THR 121   6.013  -0.598 -14.389
  930    H    LEU 122           H        LEU 122   8.783  -2.880 -11.895
  931    HA   LEU 122           HA       LEU 122  10.787  -2.899 -10.882
  932   1HB   LEU 122          1HB       LEU 122  11.120  -4.854  -9.569
  933   2HB   LEU 122          2HB       LEU 122   9.410  -4.501  -9.657
  934    HG   LEU 122           HG       LEU 122  10.403  -6.399 -11.777
  935   1HD1  LEU 122          3HD1      LEU 122  10.373  -7.206  -8.851
  936   2HD1  LEU 122          1HD1      LEU 122  10.505  -8.292 -10.263
  937   3HD1  LEU 122          2HD1      LEU 122  11.791  -7.134  -9.910
  938   1HD2  LEU 122          3HD2      LEU 122   8.108  -6.440  -9.816
  939   2HD2  LEU 122          1HD2      LEU 122   8.040  -5.912 -11.500
  940   3HD2  LEU 122          2HD2      LEU 122   8.362  -7.613 -11.135
  941    HN3  FMN 123           HN3      FMN 123   2.346   2.127   8.245
  942    H6   FMN 123           H6       FMN 123   8.299  -0.746   6.234
  943   1HM7  FMN 123          1HM7      FMN 123  11.108   0.271   4.206
  944   2HM7  FMN 123          2HM7      FMN 123  11.556  -0.627   5.670
  945   3HM7  FMN 123          3HM7      FMN 123  10.110  -1.083   4.723
  946   1HM8  FMN 123          1HM8      FMN 123  12.444   1.832   5.940
  947   2HM8  FMN 123          2HM8      FMN 123  11.617   2.616   4.570
  948   3HM8  FMN 123          3HM8      FMN 123  11.874   3.501   6.079
  949    H9   FMN 123           H9       FMN 123   9.794   3.913   7.058
  950   1H1*  FMN 123          1H1*      FMN 123   7.419   4.723   9.607
  951   2H1*  FMN 123          2H1*      FMN 123   8.939   4.579   8.790
  952    H2*  FMN 123           H2*      FMN 123   8.066   6.760   8.517
  953   *HO2  FMN 123          *HO2      FMN 123   6.078   7.103   8.311
  954    H3*  FMN 123           H3*      FMN 123   7.988   5.181   5.943
  955   *HO3  FMN 123          *HO3      FMN 123   9.717   6.852   5.683
  956    H4*  FMN 123           H4*      FMN 123   6.431   6.940   5.519
  957   *HO4  FMN 123          *HO4      FMN 123   7.747   8.247   4.104
  958   1H5*  FMN 123          1H5*      FMN 123   7.300   8.594   7.407
  959   2H5*  FMN 123          2H5*      FMN 123   8.349   9.203   6.119
   
  No H/Q in entry =         959
  Start of MODEL    3
    1   1H    MET   1          2H        MET   1  -8.305  -3.984 -11.365
    2   2H    MET   1          3H        MET   1  -9.902  -4.312 -11.006
    3   3H    MET   1          1H        MET   1  -8.780  -4.219  -9.822
    4    HA   MET   1           HA       MET   1  -9.123  -6.433 -10.014
    5   1HB   MET   1          1HB       MET   1  -8.819  -6.123 -13.027
    6   2HB   MET   1          2HB       MET   1  -9.045  -7.642 -12.140
    7   1HG   MET   1          1HG       MET   1 -11.028  -5.362 -12.421
    8   2HG   MET   1          2HG       MET   1 -11.180  -7.012 -13.022
    9   1HE   MET   1          2HE       MET   1 -13.645  -7.138 -11.988
   10   2HE   MET   1          3HE       MET   1 -14.014  -6.770 -10.289
   11   3HE   MET   1          1HE       MET   1 -13.472  -5.474 -11.376
   12    H    LEU   2           H        LEU   2  -7.369  -8.100 -10.101
   13    HA   LEU   2           HA       LEU   2  -4.679  -6.899 -10.450
   14   1HB   LEU   2          1HB       LEU   2  -5.936  -8.268  -8.029
   15   2HB   LEU   2          2HB       LEU   2  -4.217  -8.320  -8.287
   16    HG   LEU   2           HG       LEU   2  -4.842  -6.663  -6.654
   17   1HD1  LEU   2          2HD1      LEU   2  -2.802  -6.354  -8.093
   18   2HD1  LEU   2          3HD1      LEU   2  -3.765  -5.261  -9.121
   19   3HD1  LEU   2          1HD1      LEU   2  -3.450  -4.866  -7.416
   20   1HD2  LEU   2          1HD2      LEU   2  -7.027  -6.030  -7.914
   21   2HD2  LEU   2          2HD2      LEU   2  -6.153  -4.816  -6.960
   22   3HD2  LEU   2          3HD2      LEU   2  -6.009  -4.821  -8.725
   23    HA   PRO   3           HA       PRO   3  -3.978 -11.026 -12.112
   24   1HB   PRO   3          1HB       PRO   3  -1.266 -11.344 -11.669
   25   2HB   PRO   3          2HB       PRO   3  -1.918 -10.269 -12.925
   26   1HG   PRO   3          1HG       PRO   3  -0.930  -9.525 -10.183
   27   2HG   PRO   3          2HG       PRO   3  -0.624  -8.699 -11.740
   28   1HD   PRO   3          1HD       PRO   3  -2.529  -7.858  -9.959
   29   2HD   PRO   3          2HD       PRO   3  -2.725  -7.673 -11.727
   30    H    GLY   4           H        GLY   4  -3.555 -13.231 -11.280
   31   1HA   GLY   4          1HA       GLY   4  -4.069 -13.684  -8.521
   32   2HA   GLY   4          2HA       GLY   4  -3.361 -14.867  -9.641
   33    H    THR   5           H        THR   5  -0.964 -13.545 -10.376
   34    HA   THR   5           HA       THR   5   0.820 -14.212  -8.478
   35    HB   THR   5           HB       THR   5   1.284 -11.962 -10.459
   36    HG1  THR   5           HG1      THR   5   1.609 -13.734 -11.962
   37   1HG2  THR   5          2HG2      THR   5   2.953 -14.389  -9.606
   38   2HG2  THR   5          3HG2      THR   5   3.460 -13.141 -10.765
   39   3HG2  THR   5          1HG2      THR   5   3.220 -12.722  -9.061
   40    H    PHE   6           H        PHE   6  -0.783 -10.983  -8.757
   41    HA   PHE   6           HA       PHE   6   0.841  -9.556  -6.890
   42   1HB   PHE   6          1HB       PHE   6  -0.759  -8.313  -8.120
   43   2HB   PHE   6          2HB       PHE   6  -2.075  -9.388  -7.680
   44    HD1  PHE   6           HD2      PHE   6   0.224  -6.815  -6.278
   45    HD2  PHE   6           HD1      PHE   6  -3.450  -9.008  -5.782
   46    HE1  PHE   6           HE2      PHE   6  -0.456  -5.274  -4.445
   47    HE2  PHE   6           HE1      PHE   6  -4.135  -7.455  -3.985
   48    HZ   PHE   6           HZ       PHE   6  -2.644  -5.567  -3.326
   49    H    PHE   7           H        PHE   7  -2.034 -11.626  -6.357
   50    HA   PHE   7           HA       PHE   7  -1.999 -11.375  -3.514
   51   1HB   PHE   7          1HB       PHE   7  -3.309 -13.457  -5.295
   52   2HB   PHE   7          2HB       PHE   7  -3.513 -13.345  -3.553
   53    HD1  PHE   7           HD1      PHE   7  -4.295 -11.071  -2.557
   54    HD2  PHE   7           HD2      PHE   7  -4.732 -12.118  -6.720
   55    HE1  PHE   7           HE1      PHE   7  -5.993  -9.287  -2.830
   56    HE2  PHE   7           HE2      PHE   7  -6.469 -10.377  -6.969
   57    HZ   PHE   7           HZ       PHE   7  -7.100  -8.943  -5.025
   58    H    GLU   8           H        GLU   8  -0.635 -13.889  -5.727
   59    HA   GLU   8           HA       GLU   8   0.484 -15.492  -3.687
   60   1HB   GLU   8          1HB       GLU   8   1.806 -14.935  -6.368
   61   2HB   GLU   8          2HB       GLU   8   2.077 -16.307  -5.302
   62   1HG   GLU   8          1HG       GLU   8  -0.341 -15.714  -7.018
   63   2HG   GLU   8          2HG       GLU   8   0.707 -17.124  -7.046
   64    H    VAL   9           H        VAL   9   1.826 -12.437  -5.059
   65    HA   VAL   9           HA       VAL   9   4.226 -12.616  -3.453
   66    HB   VAL   9           HB       VAL   9   2.936 -10.279  -4.911
   67   1HG1  VAL   9          2HG1      VAL   9   5.651 -10.403  -3.515
   68   2HG1  VAL   9          3HG1      VAL   9   5.118  -9.111  -4.616
   69   3HG1  VAL   9          1HG1      VAL   9   4.294  -9.349  -3.074
   70   1HG2  VAL   9          3HG2      VAL   9   5.407 -11.993  -5.487
   71   2HG2  VAL   9          1HG2      VAL   9   3.869 -12.075  -6.363
   72   3HG2  VAL   9          2HG2      VAL   9   4.855 -10.612  -6.455
   73    H    LEU  10           H        LEU  10   1.012 -11.041  -2.910
   74    HA   LEU  10           HA       LEU  10   1.663  -9.872  -0.392
   75   1HB   LEU  10          1HB       LEU  10  -0.991 -10.999  -1.358
   76   2HB   LEU  10          2HB       LEU  10  -0.772 -10.169   0.168
   77    HG   LEU  10           HG       LEU  10  -0.416  -8.910  -2.577
   78   1HD1  LEU  10          1HD1      LEU  10  -2.508  -8.657  -0.370
   79   2HD1  LEU  10          2HD1      LEU  10  -2.434  -7.621  -1.799
   80   3HD1  LEU  10          3HD1      LEU  10  -2.742  -9.351  -1.994
   81   1HD2  LEU  10          1HD2      LEU  10  -0.154  -7.683   0.212
   82   2HD2  LEU  10          2HD2      LEU  10   1.120  -7.822  -1.014
   83   3HD2  LEU  10          3HD2      LEU  10  -0.254  -6.766  -1.311
   84    H    LYS  11           H        LYS  11   0.543 -13.176  -1.126
   85    HA   LYS  11           HA       LYS  11   0.291 -14.162   1.530
   86   1HB   LYS  11          1HB       LYS  11   1.228 -15.592  -0.985
   87   2HB   LYS  11          2HB       LYS  11   0.862 -16.406   0.534
   88   1HG   LYS  11          1HG       LYS  11  -1.483 -15.685   0.431
   89   2HG   LYS  11          2HG       LYS  11  -1.156 -14.763  -1.037
   90   1HD   LYS  11          1HD       LYS  11  -0.274 -17.042  -1.994
   91   2HD   LYS  11          2HD       LYS  11  -1.201 -17.769  -0.669
   92   1HE   LYS  11          1HE       LYS  11  -3.265 -16.643  -1.526
   93   2HE   LYS  11          2HE       LYS  11  -2.277 -15.818  -2.751
   94   1HZ   LYS  11          2HZ       LYS  11  -1.623 -18.091  -3.497
   95   2HZ   LYS  11          3HZ       LYS  11  -2.987 -18.671  -2.735
   96   3HZ   LYS  11          1HZ       LYS  11  -2.975 -17.528  -3.977
   97    H    ASN  12           H        ASN  12   3.191 -13.126  -0.061
   98    HA   ASN  12           HA       ASN  12   4.882 -14.693   1.828
   99   1HB   ASN  12          1HB       ASN  12   5.535 -13.405  -0.864
  100   2HB   ASN  12          2HB       ASN  12   6.748 -13.971   0.268
  101   1HD2  ASN  12          2HD2      ASN  12   4.550 -16.780  -1.831
  102   2HD2  ASN  12          1HD2      ASN  12   3.968 -15.148  -1.779
  103    H    GLU  13           H        GLU  13   6.707 -13.379   2.727
  104    HA   GLU  13           HA       GLU  13   5.807 -10.700   3.556
  105   1HB   GLU  13          1HB       GLU  13   6.894 -12.086   5.173
  106   2HB   GLU  13          2HB       GLU  13   8.222 -12.499   4.098
  107   1HG   GLU  13          1HG       GLU  13   7.807  -9.600   4.874
  108   2HG   GLU  13          2HG       GLU  13   8.491 -10.723   6.052
  109    H    GLY  14           H        GLY  14   6.661  -8.757   2.744
  110   1HA   GLY  14          1HA       GLY  14   8.735  -8.610   0.840
  111   2HA   GLY  14          2HA       GLY  14   7.133  -8.602   0.047
  112    H    VAL  15           H        VAL  15   8.593  -6.402  -0.210
  113    HA   VAL  15           HA       VAL  15   7.964  -4.386   1.864
  114    HB   VAL  15           HB       VAL  15   9.616  -4.215  -0.711
  115   1HG1  VAL  15          2HG1      VAL  15   9.238  -2.200   1.556
  116   2HG1  VAL  15          3HG1      VAL  15  10.472  -2.064   0.285
  117   3HG1  VAL  15          1HG1      VAL  15   8.767  -1.997  -0.147
  118   1HG2  VAL  15          2HG2      VAL  15  10.742  -5.631   1.006
  119   2HG2  VAL  15          3HG2      VAL  15  11.598  -4.110   0.733
  120   3HG2  VAL  15          1HG2      VAL  15  10.576  -4.298   2.171
  121    H    VAL  16           H        VAL  16   6.630  -2.632   1.280
  122    HA   VAL  16           HA       VAL  16   5.344  -2.623  -1.349
  123    HB   VAL  16           HB       VAL  16   3.806  -2.323   1.231
  124   1HG1  VAL  16          3HG1      VAL  16   2.910  -2.578  -1.663
  125   2HG1  VAL  16          1HG1      VAL  16   1.809  -2.666  -0.274
  126   3HG1  VAL  16          2HG1      VAL  16   2.691  -1.177  -0.591
  127   1HG2  VAL  16          1HG2      VAL  16   4.007  -4.814  -0.461
  128   2HG2  VAL  16          2HG2      VAL  16   4.414  -4.629   1.251
  129   3HG2  VAL  16          3HG2      VAL  16   2.740  -4.532   0.732
  130    H    ALA  17           H        ALA  17   4.450  -0.416  -1.751
  131    HA   ALA  17           HA       ALA  17   5.398   1.701  -0.016
  132   1HB   ALA  17          2HB       ALA  17   7.323   0.920  -1.584
  133   2HB   ALA  17          3HB       ALA  17   6.309   1.466  -2.912
  134   3HB   ALA  17          1HB       ALA  17   6.902   2.626  -1.717
  135    H    ILE  18           H        ILE  18   4.563   3.823  -0.808
  136    HA   ILE  18           HA       ILE  18   2.142   3.627  -2.527
  137    HB   ILE  18           HB       ILE  18   2.134   5.146   0.107
  138   1HG1  ILE  18          1HG1      ILE  18   2.515   2.839   0.835
  139   2HG1  ILE  18          2HG1      ILE  18   1.003   3.538   1.358
  140   1HG2  ILE  18          2HG2      ILE  18  -0.081   4.135  -1.695
  141   2HG2  ILE  18          3HG2      ILE  18  -0.301   5.027  -0.164
  142   3HG2  ILE  18          1HG2      ILE  18   0.494   5.803  -1.532
  143   1HD1  ILE  18          2HD1      ILE  18   1.178   1.675  -1.015
  144   2HD1  ILE  18          3HD1      ILE  18   0.901   1.132   0.648
  145   3HD1  ILE  18          1HD1      ILE  18  -0.280   2.200  -0.147
  146    H    ALA  19           H        ALA  19   2.581   5.305  -4.099
  147    HA   ALA  19           HA       ALA  19   4.245   7.629  -3.242
  148   1HB   ALA  19          2HB       ALA  19   4.549   6.429  -5.580
  149   2HB   ALA  19          3HB       ALA  19   3.136   7.419  -6.016
  150   3HB   ALA  19          1HB       ALA  19   4.611   8.184  -5.429
  151    H    THR  20           H        THR  20   3.041   8.990  -2.047
  152    HA   THR  20           HA       THR  20   0.182   9.196  -2.539
  153    HB   THR  20           HB       THR  20   1.778  10.874  -0.562
  154    HG1  THR  20           HG1      THR  20   2.442   9.048   0.153
  155   1HG2  THR  20          3HG2      THR  20  -0.771  11.128  -1.021
  156   2HG2  THR  20          1HG2      THR  20  -0.949   9.457  -0.483
  157   3HG2  THR  20          2HG2      THR  20  -0.358  10.695   0.638
  158    H    GLN  21           H        GLN  21  -0.645  10.818  -4.148
  159    HA   GLN  21           HA       GLN  21   1.309  12.755  -5.061
  160   1HB   GLN  21          1HB       GLN  21  -0.399  11.700  -6.536
  161   2HB   GLN  21          2HB       GLN  21  -1.674  12.516  -5.610
  162   1HG   GLN  21          1HG       GLN  21  -1.153  13.638  -7.748
  163   2HG   GLN  21          2HG       GLN  21  -0.938  14.683  -6.349
  164   1HE2  GLN  21          2HE2      GLN  21   2.380  15.443  -7.262
  165   2HE2  GLN  21          1HE2      GLN  21   0.910  15.861  -6.394
  166    H    GLY  22           H        GLY  22   1.449  14.875  -4.556
  167   1HA   GLY  22          1HA       GLY  22  -0.566  16.072  -2.728
  168   2HA   GLY  22          2HA       GLY  22   1.169  16.218  -2.347
  169    H    GLU  23           H        GLU  23   2.558  17.272  -3.913
  170    HA   GLU  23           HA       GLU  23   1.499  18.776  -6.204
  171   1HB   GLU  23          1HB       GLU  23   0.678  19.911  -4.097
  172   2HB   GLU  23          2HB       GLU  23   2.380  20.122  -3.630
  173   1HG   GLU  23          1HG       GLU  23   2.748  21.612  -5.504
  174   2HG   GLU  23          2HG       GLU  23   1.083  21.354  -6.049
  175    H    ASP  24           H        ASP  24   3.821  18.648  -3.581
  176    HA   ASP  24           HA       ASP  24   6.243  19.335  -4.905
  177   1HB   ASP  24          1HB       ASP  24   7.137  18.707  -2.602
  178   2HB   ASP  24          2HB       ASP  24   5.860  19.903  -2.610
  179    H    GLY  25           H        GLY  25   4.999  17.233  -6.229
  180   1HA   GLY  25          1HA       GLY  25   5.632  15.293  -7.364
  181   2HA   GLY  25          2HA       GLY  25   7.021  15.099  -6.265
  182    HA   PRO  26           HA       PRO  26   3.377  12.657  -4.589
  183   1HB   PRO  26          1HB       PRO  26   3.560  10.156  -5.687
  184   2HB   PRO  26          2HB       PRO  26   2.474  11.417  -6.225
  185   1HG   PRO  26          1HG       PRO  26   5.167  10.632  -7.384
  186   2HG   PRO  26          2HG       PRO  26   3.675  11.062  -8.280
  187   1HD   PRO  26          1HD       PRO  26   5.769  12.823  -7.850
  188   2HD   PRO  26          2HD       PRO  26   4.067  13.359  -7.996
  189    H    HIS  27           H        HIS  27   3.837  11.342  -2.905
  190    HA   HIS  27           HA       HIS  27   6.787  11.072  -2.407
  191   1HB   HIS  27          1HB       HIS  27   5.438  12.624  -0.916
  192   2HB   HIS  27          2HB       HIS  27   4.669  11.207  -0.250
  193    HD1  HIS  27           HD1      HIS  27   8.423  11.897  -1.072
  194    HD2  HIS  27           HD2      HIS  27   5.860  10.578   1.989
  195    HE1  HIS  27           HE1      HIS  27   9.931  11.120   0.843
  196    H    LEU  28           H        LEU  28   7.428   9.057  -2.898
  197    HA   LEU  28           HA       LEU  28   5.780   6.735  -2.428
  198   1HB   LEU  28          1HB       LEU  28   7.215   7.069  -4.393
  199   2HB   LEU  28          2HB       LEU  28   8.642   6.909  -3.371
  200    HG   LEU  28           HG       LEU  28   8.217   4.578  -2.971
  201   1HD1  LEU  28          3HD1      LEU  28   5.478   5.023  -4.226
  202   2HD1  LEU  28          1HD1      LEU  28   6.164   3.436  -3.923
  203   3HD1  LEU  28          2HD1      LEU  28   5.840   4.521  -2.559
  204   1HD2  LEU  28          1HD2      LEU  28   9.049   5.128  -5.268
  205   2HD2  LEU  28          2HD2      LEU  28   8.062   3.650  -5.254
  206   3HD2  LEU  28          3HD2      LEU  28   7.368   5.167  -5.852
  207    H    VAL  29           H        VAL  29   5.348   6.651  -0.255
  208    HA   VAL  29           HA       VAL  29   7.509   6.303   1.717
  209    HB   VAL  29           HB       VAL  29   5.700   6.044   3.318
  210   1HG1  VAL  29          3HG1      VAL  29   6.401   8.344   2.463
  211   2HG1  VAL  29          1HG1      VAL  29   4.934   8.349   1.487
  212   3HG1  VAL  29          2HG1      VAL  29   4.823   8.260   3.261
  213   1HG2  VAL  29          3HG2      VAL  29   3.994   4.854   1.897
  214   2HG2  VAL  29          1HG2      VAL  29   3.349   6.224   2.817
  215   3HG2  VAL  29          2HG2      VAL  29   3.669   6.413   1.099
  216    H    ASN  30           H        ASN  30   7.220   4.223   3.241
  217    HA   ASN  30           HA       ASN  30   6.794   1.846   1.492
  218   1HB   ASN  30          1HB       ASN  30   9.031   2.469   3.410
  219   2HB   ASN  30          2HB       ASN  30   8.602   0.801   3.069
  220   1HD2  ASN  30          2HD2      ASN  30   9.566   1.099  -0.438
  221   2HD2  ASN  30          1HD2      ASN  30   8.157   0.502   0.443
  222    H    THR  31           H        THR  31   6.513  -0.221   2.663
  223    HA   THR  31           HA       THR  31   5.800  -0.423   5.364
  224    HB   THR  31           HB       THR  31   3.773   0.773   4.633
  225    HG1  THR  31           HG1      THR  31   3.280  -0.406   6.261
  226   1HG2  THR  31          3HG2      THR  31   3.667  -0.191   2.270
  227   2HG2  THR  31          1HG2      THR  31   2.980  -1.654   3.040
  228   3HG2  THR  31          2HG2      THR  31   2.149  -0.099   3.166
  229    H    TRP  32           H        TRP  32   4.795  -2.749   5.615
  230    HA   TRP  32           HA       TRP  32   6.188  -4.672   3.796
  231   1HB   TRP  32          1HB       TRP  32   5.918  -4.732   6.824
  232   2HB   TRP  32          2HB       TRP  32   6.432  -6.105   5.855
  233    HD1  TRP  32           HD1      TRP  32   7.708  -2.844   7.249
  234    HE1  TRP  32           HE1      TRP  32  10.183  -2.574   6.788
  235    HE3  TRP  32           HE3      TRP  32   8.378  -6.888   4.193
  236    HZ2  TRP  32           HZ2      TRP  32  12.273  -4.004   5.301
  237    HZ3  TRP  32           HZ3      TRP  32  10.588  -7.384   3.240
  238    HH2  TRP  32           HH2      TRP  32  12.547  -5.991   3.763
  239    H    ASN  33           H        ASN  33   5.019  -6.609   3.214
  240    HA   ASN  33           HA       ASN  33   2.204  -6.491   3.154
  241   1HB   ASN  33          1HB       ASN  33   4.047  -8.930   3.095
  242   2HB   ASN  33          2HB       ASN  33   2.304  -9.030   2.868
  243   1HD2  ASN  33          2HD2      ASN  33   3.997  -8.786  -0.487
  244   2HD2  ASN  33          1HD2      ASN  33   4.169  -9.897   0.852
  245    H    SER  34           H        SER  34   4.298  -7.748   5.668
  246    HA   SER  34           HA       SER  34   2.517  -9.196   7.267
  247   1HB   SER  34          1HB       SER  34   5.061  -9.060   7.384
  248   2HB   SER  34          2HB       SER  34   4.864  -7.515   8.237
  249    HG   SER  34           HG       SER  34   3.458  -8.801   9.696
  250    H    TYR  35           H        TYR  35   2.315  -5.833   6.622
  251    HA   TYR  35           HA       TYR  35   1.047  -5.223   9.241
  252   1HB   TYR  35          1HB       TYR  35   2.246  -3.379   7.172
  253   2HB   TYR  35          2HB       TYR  35   1.594  -2.924   8.725
  254    HD1  TYR  35           HD1      TYR  35   3.214  -5.558  10.037
  255    HD2  TYR  35           HD2      TYR  35   4.127  -1.945   7.862
  256    HE1  TYR  35           HE1      TYR  35   5.481  -5.571  10.979
  257    HE2  TYR  35           HE2      TYR  35   6.374  -1.891   8.893
  258    HH   TYR  35           HH       TYR  35   7.589  -4.514  10.996
  259    H    LEU  36           H        LEU  36   0.186  -6.020   5.992
  260    HA   LEU  36           HA       LEU  36  -1.825  -3.829   5.786
  261   1HB   LEU  36          1HB       LEU  36  -1.014  -5.975   3.783
  262   2HB   LEU  36          2HB       LEU  36  -2.026  -4.567   3.465
  263    HG   LEU  36           HG       LEU  36   0.954  -4.575   4.088
  264   1HD1  LEU  36          1HD1      LEU  36  -0.666  -3.719   1.648
  265   2HD1  LEU  36          2HD1      LEU  36   1.087  -3.544   1.850
  266   3HD1  LEU  36          3HD1      LEU  36   0.370  -5.162   1.780
  267   1HD2  LEU  36          2HD2      LEU  36  -0.969  -2.248   3.785
  268   2HD2  LEU  36          3HD2      LEU  36   0.034  -2.623   5.209
  269   3HD2  LEU  36          1HD2      LEU  36   0.804  -2.094   3.721
  270    H    LYS  37           H        LYS  37  -3.922  -4.360   4.742
  271    HA   LYS  37           HA       LYS  37  -4.960  -7.055   5.283
  272   1HB   LYS  37          1HB       LYS  37  -7.007  -6.391   6.231
  273   2HB   LYS  37          2HB       LYS  37  -5.716  -5.720   7.243
  274   1HG   LYS  37          1HG       LYS  37  -6.077  -3.553   6.452
  275   2HG   LYS  37          2HG       LYS  37  -7.132  -4.086   5.113
  276   1HD   LYS  37          1HD       LYS  37  -7.834  -4.036   8.033
  277   2HD   LYS  37          2HD       LYS  37  -8.361  -2.900   6.800
  278   1HE   LYS  37          1HE       LYS  37  -9.438  -4.843   5.547
  279   2HE   LYS  37          2HE       LYS  37  -9.125  -5.843   6.969
  280   1HZ   LYS  37          2HZ       LYS  37 -10.549  -4.207   8.241
  281   2HZ   LYS  37          3HZ       LYS  37 -10.934  -3.473   6.825
  282   3HZ   LYS  37          1HZ       LYS  37 -11.348  -5.004   7.061
  283    H    VAL  38           H        VAL  38  -6.537  -7.674   3.676
  284    HA   VAL  38           HA       VAL  38  -6.719  -5.828   1.344
  285    HB   VAL  38           HB       VAL  38  -6.756  -8.836   1.584
  286   1HG1  VAL  38          3HG1      VAL  38  -7.344  -7.212  -0.915
  287   2HG1  VAL  38          1HG1      VAL  38  -7.071  -8.970  -0.852
  288   3HG1  VAL  38          2HG1      VAL  38  -8.474  -8.273  -0.059
  289   1HG2  VAL  38          3HG2      VAL  38  -4.512  -7.918   1.567
  290   2HG2  VAL  38          1HG2      VAL  38  -4.857  -8.821   0.090
  291   3HG2  VAL  38          2HG2      VAL  38  -4.872  -7.051   0.065
  292    H    LEU  39           H        LEU  39  -8.851  -5.592   0.450
  293    HA   LEU  39           HA       LEU  39 -11.140  -6.443   2.089
  294   1HB   LEU  39          1HB       LEU  39 -10.476  -3.711   0.919
  295   2HB   LEU  39          2HB       LEU  39 -12.131  -4.155   1.276
  296    HG   LEU  39           HG       LEU  39  -9.908  -4.083   3.352
  297   1HD1  LEU  39          2HD1      LEU  39 -10.485  -1.859   2.393
  298   2HD1  LEU  39          3HD1      LEU  39 -12.194  -2.133   2.824
  299   3HD1  LEU  39          1HD1      LEU  39 -10.953  -2.011   4.080
  300   1HD2  LEU  39          1HD2      LEU  39 -12.920  -4.573   3.518
  301   2HD2  LEU  39          2HD2      LEU  39 -11.616  -5.658   4.057
  302   3HD2  LEU  39          3HD2      LEU  39 -11.941  -4.142   4.909
  303    H    ASP  40           H        ASP  40 -13.158  -5.881   0.671
  304    HA   ASP  40           HA       ASP  40 -13.126  -7.470  -1.710
  305   1HB   ASP  40          1HB       ASP  40 -15.073  -7.396  -0.248
  306   2HB   ASP  40          2HB       ASP  40 -15.178  -5.635  -0.408
  307    H    GLY  41           H        GLY  41 -14.195  -6.434  -3.739
  308   1HA   GLY  41          1HA       GLY  41 -13.777  -5.190  -5.638
  309   2HA   GLY  41          2HA       GLY  41 -13.846  -3.793  -4.548
  310    H    ASN  42           H        ASN  42 -11.454  -6.258  -4.126
  311    HA   ASN  42           HA       ASN  42  -9.249  -6.288  -4.016
  312   1HB   ASN  42          1HB       ASN  42  -7.943  -5.905  -5.899
  313   2HB   ASN  42          2HB       ASN  42  -9.481  -6.541  -6.449
  314   1HD2  ASN  42          2HD2      ASN  42  -8.882  -2.482  -7.229
  315   2HD2  ASN  42          1HD2      ASN  42  -8.244  -3.203  -5.779
  316    H    ARG  43           H        ARG  43 -10.614  -3.977  -2.733
  317    HA   ARG  43           HA       ARG  43  -8.692  -1.751  -2.773
  318   1HB   ARG  43          1HB       ARG  43 -11.090  -1.482  -2.400
  319   2HB   ARG  43          2HB       ARG  43 -11.050  -2.600  -1.038
  320   1HG   ARG  43          1HG       ARG  43  -9.843  -1.059   0.332
  321   2HG   ARG  43          2HG       ARG  43  -9.603   0.071  -1.014
  322   1HD   ARG  43          1HD       ARG  43 -12.405  -0.818  -0.279
  323   2HD   ARG  43          2HD       ARG  43 -11.623   0.425   0.677
  324    HE   ARG  43           HE       ARG  43 -11.204   1.626  -1.543
  325   1HH1  ARG  43          2HH2      ARG  43 -14.082  -0.441  -1.198
  326   2HH1  ARG  43          1HH2      ARG  43 -15.065   0.540  -2.213
  327   1HH2  ARG  43          2HH1      ARG  43 -12.407   2.847  -2.874
  328   2HH2  ARG  43          1HH1      ARG  43 -14.079   2.529  -3.214
  329    H    ILE  44           H        ILE  44  -7.072  -1.381  -1.074
  330    HA   ILE  44           HA       ILE  44  -6.527  -3.754   0.665
  331    HB   ILE  44           HB       ILE  44  -4.344  -2.064  -0.636
  332   1HG1  ILE  44          1HG1      ILE  44  -5.575  -3.085  -2.566
  333   2HG1  ILE  44          2HG1      ILE  44  -3.939  -3.614  -2.392
  334   1HG2  ILE  44          3HG2      ILE  44  -4.550  -4.870   0.611
  335   2HG2  ILE  44          1HG2      ILE  44  -3.091  -4.306  -0.201
  336   3HG2  ILE  44          2HG2      ILE  44  -3.664  -3.499   1.264
  337   1HD1  ILE  44          2HD1      ILE  44  -6.267  -5.299  -1.421
  338   2HD1  ILE  44          3HD1      ILE  44  -5.622  -5.375  -3.071
  339   3HD1  ILE  44          1HD1      ILE  44  -4.582  -5.805  -1.712
  340    H    VAL  45           H        VAL  45  -5.058  -2.898   2.580
  341    HA   VAL  45           HA       VAL  45  -5.402  -0.009   3.076
  342    HB   VAL  45           HB       VAL  45  -6.264  -2.079   5.041
  343   1HG1  VAL  45          1HG1      VAL  45  -5.741   0.015   6.111
  344   2HG1  VAL  45          2HG1      VAL  45  -6.833   0.881   5.018
  345   3HG1  VAL  45          3HG1      VAL  45  -7.476  -0.281   6.193
  346   1HG2  VAL  45          2HG2      VAL  45  -7.875  -2.358   3.235
  347   2HG2  VAL  45          3HG2      VAL  45  -8.626  -1.658   4.641
  348   3HG2  VAL  45          1HG2      VAL  45  -8.214  -0.612   3.267
  349    H    VAL  46           H        VAL  46  -3.971   0.801   4.532
  350    HA   VAL  46           HA       VAL  46  -1.668  -0.844   5.375
  351    HB   VAL  46           HB       VAL  46  -1.807   2.003   4.291
  352   1HG1  VAL  46          1HG1      VAL  46   0.626   0.325   4.986
  353   2HG1  VAL  46          2HG1      VAL  46   0.666   1.901   4.164
  354   3HG1  VAL  46          3HG1      VAL  46   0.071   1.795   5.817
  355   1HG2  VAL  46          2HG2      VAL  46  -2.211   0.385   2.442
  356   2HG2  VAL  46          3HG2      VAL  46  -0.773   1.373   2.272
  357   3HG2  VAL  46          1HG2      VAL  46  -0.606  -0.316   2.763
  358    HA   PRO  47           HA       PRO  47  -2.670   1.426   9.244
  359   1HB   PRO  47          1HB       PRO  47  -0.652   0.556  10.824
  360   2HB   PRO  47          2HB       PRO  47  -1.997  -0.510  10.318
  361   1HG   PRO  47          1HG       PRO  47   0.739  -0.273   9.026
  362   2HG   PRO  47          2HG       PRO  47  -0.100  -1.760   9.563
  363   1HD   PRO  47          1HD       PRO  47  -0.129  -0.869   6.989
  364   2HD   PRO  47          2HD       PRO  47  -1.593  -1.616   7.709
  365    H    VAL  48           H        VAL  48  -2.349   3.608   9.051
  366    HA   VAL  48           HA       VAL  48   0.357   4.661   8.506
  367    HB   VAL  48           HB       VAL  48  -1.304   5.738   7.139
  368   1HG1  VAL  48          1HG1      VAL  48  -2.908   6.104   9.573
  369   2HG1  VAL  48          2HG1      VAL  48  -3.216   6.926   8.026
  370   3HG1  VAL  48          3HG1      VAL  48  -3.322   5.177   8.106
  371   1HG2  VAL  48          1HG2      VAL  48   0.463   7.116   8.501
  372   2HG2  VAL  48          2HG2      VAL  48  -0.849   7.988   7.704
  373   3HG2  VAL  48          3HG2      VAL  48  -0.931   7.678   9.442
  374    H    GLY  49           H        GLY  49   1.601   4.835  10.201
  375   1HA   GLY  49          1HA       GLY  49   0.492   5.708  12.831
  376   2HA   GLY  49          2HA       GLY  49   1.898   4.657  12.627
  377    H    GLY  50           H        GLY  50   2.942   6.359  10.241
  378   1HA   GLY  50          1HA       GLY  50   3.623   8.894  11.522
  379   2HA   GLY  50          2HA       GLY  50   4.887   7.662  11.411
  380    H    MET  51           H        MET  51   2.261   8.214   9.078
  381    HA   MET  51           HA       MET  51   4.218   9.069   7.002
  382   1HB   MET  51          1HB       MET  51   1.450   7.825   6.712
  383   2HB   MET  51          2HB       MET  51   2.431   8.399   5.388
  384   1HG   MET  51          1HG       MET  51   4.082   6.788   5.659
  385   2HG   MET  51          2HG       MET  51   3.501   6.319   7.255
  386   1HE   MET  51          3HE       MET  51   4.128   3.961   6.045
  387   2HE   MET  51          1HE       MET  51   3.171   3.268   4.716
  388   3HE   MET  51          2HE       MET  51   4.233   4.665   4.441
  389    H    HIS  52           H        HIS  52   4.244  11.195   7.929
  390    HA   HIS  52           HA       HIS  52   1.870  12.686   8.722
  391   1HB   HIS  52          1HB       HIS  52   4.776  13.597   8.467
  392   2HB   HIS  52          2HB       HIS  52   3.479  14.372   9.384
  393    HD1  HIS  52           HD1      HIS  52   5.980  11.525   9.540
  394    HD2  HIS  52           HD2      HIS  52   2.639  13.023  11.623
  395    HE1  HIS  52           HE1      HIS  52   5.998  10.385  11.836
  396    H    LYS  53           H        LYS  53   4.517  13.514   6.406
  397    HA   LYS  53           HA       LYS  53   2.965  15.594   5.105
  398   1HB   LYS  53          1HB       LYS  53   5.318  15.696   4.888
  399   2HB   LYS  53          2HB       LYS  53   5.417  14.034   4.364
  400   1HG   LYS  53          1HG       LYS  53   4.183  14.722   2.217
  401   2HG   LYS  53          2HG       LYS  53   4.260  16.385   2.811
  402   1HD   LYS  53          1HD       LYS  53   6.038  16.198   1.320
  403   2HD   LYS  53          2HD       LYS  53   6.829  16.054   2.892
  404   1HE   LYS  53          1HE       LYS  53   6.056  13.760   1.039
  405   2HE   LYS  53          2HE       LYS  53   7.653  14.500   1.113
  406   1HZ   LYS  53          3HZ       LYS  53   7.744  13.736   3.495
  407   2HZ   LYS  53          1HZ       LYS  53   6.347  12.920   3.269
  408   3HZ   LYS  53          2HZ       LYS  53   7.638  12.501   2.427
  409    H    THR  54           H        THR  54   3.393  12.124   4.427
  410    HA   THR  54           HA       THR  54   1.666  11.991   2.225
  411    HB   THR  54           HB       THR  54   2.644  10.141   4.351
  412    HG1  THR  54           HG1      THR  54   4.051  10.861   2.892
  413   1HG2  THR  54          1HG2      THR  54   0.684   9.402   2.161
  414   2HG2  THR  54          2HG2      THR  54   1.857   8.236   2.809
  415   3HG2  THR  54          3HG2      THR  54   0.632   8.977   3.863
  416    H    GLU  55           H        GLU  55   0.690  11.935   5.736
  417    HA   GLU  55           HA       GLU  55  -2.076  11.440   5.303
  418   1HB   GLU  55          1HB       GLU  55  -1.001  11.141   7.433
  419   2HB   GLU  55          2HB       GLU  55  -0.389  12.765   7.458
  420   1HG   GLU  55          1HG       GLU  55  -2.605  13.661   7.922
  421   2HG   GLU  55          2HG       GLU  55  -3.284  12.022   7.871
  422    H    ALA  56           H        ALA  56  -0.189  14.473   5.476
  423    HA   ALA  56           HA       ALA  56  -2.410  16.162   4.793
  424   1HB   ALA  56          2HB       ALA  56  -0.301  17.047   5.738
  425   2HB   ALA  56          3HB       ALA  56   0.553  16.631   4.232
  426   3HB   ALA  56          1HB       ALA  56  -0.735  17.847   4.215
  427    H    ASN  57           H        ASN  57  -0.005  14.465   2.732
  428    HA   ASN  57           HA       ASN  57  -0.817  15.566   0.251
  429   1HB   ASN  57          1HB       ASN  57   0.482  12.933   0.937
  430   2HB   ASN  57          2HB       ASN  57   0.067  13.313  -0.689
  431   1HD2  ASN  57          2HD2      ASN  57   3.399  14.582  -0.814
  432   2HD2  ASN  57          1HD2      ASN  57   2.427  13.159  -1.178
  433    H    VAL  58           H        VAL  58  -2.088  12.601   1.900
  434    HA   VAL  58           HA       VAL  58  -3.986  12.069  -0.178
  435    HB   VAL  58           HB       VAL  58  -4.150  11.305   2.780
  436   1HG1  VAL  58          1HG1      VAL  58  -5.684  10.300   0.340
  437   2HG1  VAL  58          2HG1      VAL  58  -5.724   9.535   1.948
  438   3HG1  VAL  58          3HG1      VAL  58  -6.369  11.171   1.723
  439   1HG2  VAL  58          2HG2      VAL  58  -3.139   9.837   0.308
  440   2HG2  VAL  58          3HG2      VAL  58  -2.227  10.234   1.782
  441   3HG2  VAL  58          1HG2      VAL  58  -3.499   9.023   1.842
  442    H    ALA  59           H        ALA  59  -4.207  14.031   2.848
  443    HA   ALA  59           HA       ALA  59  -6.915  14.817   2.409
  444   1HB   ALA  59          2HB       ALA  59  -5.700  15.141   4.548
  445   2HB   ALA  59          3HB       ALA  59  -4.699  16.395   3.778
  446   3HB   ALA  59          1HB       ALA  59  -6.445  16.643   3.956
  447    H    ARG  60           H        ARG  60  -3.969  15.965   0.782
  448    HA   ARG  60           HA       ARG  60  -5.358  18.330  -0.332
  449   1HB   ARG  60          1HB       ARG  60  -2.646  17.040  -0.864
  450   2HB   ARG  60          2HB       ARG  60  -3.185  18.532  -1.624
  451   1HG   ARG  60          1HG       ARG  60  -2.921  19.802   0.295
  452   2HG   ARG  60          2HG       ARG  60  -3.171  18.452   1.395
  453   1HD   ARG  60          1HD       ARG  60  -0.804  19.194   1.368
  454   2HD   ARG  60          2HD       ARG  60  -0.971  17.515   0.858
  455    HE   ARG  60           HE       ARG  60  -1.144  19.011  -1.460
  456   1HH1  ARG  60          2HH2      ARG  60   1.452  17.438   0.265
  457   2HH1  ARG  60          1HH2      ARG  60   2.679  18.345  -0.524
  458   1HH2  ARG  60          2HH1      ARG  60   0.698  20.855  -1.957
  459   2HH2  ARG  60          1HH1      ARG  60   2.254  20.288  -1.556
  460    H    ASP  61           H        ASP  61  -3.887  15.332  -1.677
  461    HA   ASP  61           HA       ASP  61  -6.067  15.239  -3.706
  462   1HB   ASP  61          1HB       ASP  61  -4.109  16.404  -4.703
  463   2HB   ASP  61          2HB       ASP  61  -3.108  14.982  -4.374
  464    H    GLU  62           H        GLU  62  -6.878  13.236  -3.998
  465    HA   GLU  62           HA       GLU  62  -5.884  11.124  -2.293
  466   1HB   GLU  62          1HB       GLU  62  -7.880   9.828  -3.076
  467   2HB   GLU  62          2HB       GLU  62  -8.171  11.369  -2.305
  468   1HG   GLU  62          1HG       GLU  62  -9.707  11.487  -3.928
  469   2HG   GLU  62          2HG       GLU  62  -8.409  12.328  -4.737
  470    H    ARG  63           H        ARG  63  -5.032  11.829  -5.501
  471    HA   ARG  63           HA       ARG  63  -5.045   9.164  -6.582
  472   1HB   ARG  63          1HB       ARG  63  -3.498  11.639  -7.469
  473   2HB   ARG  63          2HB       ARG  63  -3.436  10.077  -8.287
  474   1HG   ARG  63          1HG       ARG  63  -5.025  11.236  -9.523
  475   2HG   ARG  63          2HG       ARG  63  -5.982  10.179  -8.484
  476   1HD   ARG  63          1HD       ARG  63  -5.619  12.573  -7.018
  477   2HD   ARG  63          2HD       ARG  63  -5.892  13.115  -8.665
  478    HE   ARG  63           HE       ARG  63  -7.694  11.089  -7.487
  479   1HH1  ARG  63          2HH2      ARG  63  -7.072  14.490  -7.342
  480   2HH1  ARG  63          1HH2      ARG  63  -8.682  15.060  -7.454
  481   1HH2  ARG  63          2HH1      ARG  63  -9.908  11.706  -7.243
  482   2HH2  ARG  63          1HH1      ARG  63 -10.408  13.361  -7.333
  483    H    VAL  64           H        VAL  64  -3.610   7.473  -6.364
  484    HA   VAL  64           HA       VAL  64  -0.916   8.138  -5.364
  485    HB   VAL  64           HB       VAL  64  -1.006   6.367  -3.686
  486   1HG1  VAL  64          2HG1      VAL  64  -1.684   8.835  -3.177
  487   2HG1  VAL  64          3HG1      VAL  64  -3.295   8.198  -2.984
  488   3HG1  VAL  64          1HG1      VAL  64  -1.970   7.581  -1.966
  489   1HG2  VAL  64          3HG2      VAL  64  -3.986   6.242  -4.313
  490   2HG2  VAL  64          1HG2      VAL  64  -2.804   4.934  -4.552
  491   3HG2  VAL  64          2HG2      VAL  64  -3.213   5.496  -2.927
  492    H    LEU  65           H        LEU  65   0.575   6.484  -5.521
  493    HA   LEU  65           HA       LEU  65   0.040   4.406  -7.622
  494   1HB   LEU  65          1HB       LEU  65   1.951   6.236  -7.929
  495   2HB   LEU  65          2HB       LEU  65   2.744   5.329  -6.634
  496    HG   LEU  65           HG       LEU  65   2.498   3.237  -8.105
  497   1HD1  LEU  65          1HD1      LEU  65   1.996   5.407 -10.207
  498   2HD1  LEU  65          2HD1      LEU  65   2.326   3.694 -10.536
  499   3HD1  LEU  65          3HD1      LEU  65   0.836   4.159  -9.710
  500   1HD2  LEU  65          3HD2      LEU  65   4.636   4.407  -7.730
  501   2HD2  LEU  65          1HD2      LEU  65   4.522   3.802  -9.385
  502   3HD2  LEU  65          2HD2      LEU  65   4.268   5.531  -9.054
  503    H    MET  66           H        MET  66   0.825   2.224  -6.897
  504    HA   MET  66           HA       MET  66   1.752   2.037  -4.091
  505   1HB   MET  66          1HB       MET  66  -0.683   1.767  -3.972
  506   2HB   MET  66          2HB       MET  66  -0.653   0.546  -5.243
  507   1HG   MET  66          1HG       MET  66   0.598  -0.985  -3.785
  508   2HG   MET  66          2HG       MET  66   0.733   0.270  -2.555
  509   1HE   MET  66          1HE       MET  66  -0.343  -0.751  -0.471
  510   2HE   MET  66          2HE       MET  66  -1.761  -1.815  -0.499
  511   3HE   MET  66          3HE       MET  66  -0.266  -2.319  -1.315
  512    H    THR  67           H        THR  67   3.544   0.625  -4.111
  513    HA   THR  67           HA       THR  67   3.718  -1.198  -6.471
  514    HB   THR  67           HB       THR  67   6.060  -0.670  -6.756
  515    HG1  THR  67           HG1      THR  67   6.191   0.060  -4.429
  516   1HG2  THR  67          1HG2      THR  67   4.407   0.876  -7.943
  517   2HG2  THR  67          2HG2      THR  67   4.630   2.027  -6.617
  518   3HG2  THR  67          3HG2      THR  67   6.004   1.581  -7.639
  519    H    LEU  68           H        LEU  68   4.274  -3.289  -5.856
  520    HA   LEU  68           HA       LEU  68   5.352  -3.589  -3.090
  521   1HB   LEU  68          1HB       LEU  68   4.178  -5.443  -2.532
  522   2HB   LEU  68          2HB       LEU  68   2.931  -4.389  -3.196
  523    HG   LEU  68           HG       LEU  68   4.224  -6.791  -4.586
  524   1HD1  LEU  68          3HD1      LEU  68   2.782  -7.425  -2.706
  525   2HD1  LEU  68          1HD1      LEU  68   1.461  -6.442  -3.356
  526   3HD1  LEU  68          2HD1      LEU  68   2.031  -7.870  -4.247
  527   1HD2  LEU  68          3HD2      LEU  68   1.937  -4.999  -5.447
  528   2HD2  LEU  68          1HD2      LEU  68   3.521  -5.135  -6.232
  529   3HD2  LEU  68          2HD2      LEU  68   2.431  -6.520  -6.253
  530    H    GLY  69           H        GLY  69   6.625  -5.573  -2.789
  531   1HA   GLY  69          1HA       GLY  69   7.354  -7.143  -5.023
  532   2HA   GLY  69          2HA       GLY  69   8.633  -5.950  -4.668
  533    H    SER  70           H        SER  70   9.554  -8.387  -4.278
  534    HA   SER  70           HA       SER  70   9.700  -8.713  -1.376
  535   1HB   SER  70          1HB       SER  70   7.552  -9.856  -1.884
  536   2HB   SER  70          2HB       SER  70   8.344 -10.785  -3.168
  537    HG   SER  70           HG       SER  70   8.406 -11.139  -0.393
  538    H    ARG  71           H        ARG  71  10.965 -10.722  -0.947
  539    HA   ARG  71           HA       ARG  71  13.282 -11.051  -2.810
  540   1HB   ARG  71          1HB       ARG  71  13.139 -11.796   0.137
  541   2HB   ARG  71          2HB       ARG  71  14.573 -11.720  -0.889
  542   1HG   ARG  71          1HG       ARG  71  14.259  -9.202  -1.045
  543   2HG   ARG  71          2HG       ARG  71  12.923  -9.327   0.085
  544   1HD   ARG  71          1HD       ARG  71  15.847  -9.979   0.595
  545   2HD   ARG  71          2HD       ARG  71  14.915  -8.650   1.286
  546    HE   ARG  71           HE       ARG  71  15.189 -11.268   2.315
  547   1HH1  ARG  71          2HH2      ARG  71  12.649  -8.761   2.036
  548   2HH1  ARG  71          1HH2      ARG  71  11.574  -9.589   3.114
  549   1HH2  ARG  71          2HH1      ARG  71  13.782 -12.180   3.994
  550   2HH2  ARG  71          1HH1      ARG  71  12.258 -11.384   4.265
  551    H    LYS  72           H        LYS  72  10.367 -12.447  -1.882
  552    HA   LYS  72           HA       LYS  72  11.280 -15.227  -1.791
  553   1HB   LYS  72          1HB       LYS  72   8.746 -13.722  -1.178
  554   2HB   LYS  72          2HB       LYS  72   8.585 -15.381  -1.474
  555   1HG   LYS  72          1HG       LYS  72  10.826 -14.667   0.396
  556   2HG   LYS  72          2HG       LYS  72   9.231 -14.202   0.955
  557   1HD   LYS  72          1HD       LYS  72  10.109 -16.437   1.728
  558   2HD   LYS  72          2HD       LYS  72   8.472 -16.406   1.140
  559   1HE   LYS  72          1HE       LYS  72  10.839 -17.375  -0.545
  560   2HE   LYS  72          2HE       LYS  72   9.892 -18.408   0.530
  561   1HZ   LYS  72          3HZ       LYS  72   7.917 -17.486  -0.845
  562   2HZ   LYS  72          1HZ       LYS  72   9.059 -17.212  -1.996
  563   3HZ   LYS  72          2HZ       LYS  72   8.826 -18.738  -1.438
  564    H    VAL  73           H        VAL  73  10.368 -13.248  -4.459
  565    HA   VAL  73           HA       VAL  73   9.944 -15.685  -6.001
  566    HB   VAL  73           HB       VAL  73   8.164 -13.231  -6.269
  567   1HG1  VAL  73          1HG1      VAL  73   8.180 -15.845  -7.852
  568   2HG1  VAL  73          2HG1      VAL  73   6.998 -14.531  -8.025
  569   3HG1  VAL  73          3HG1      VAL  73   8.680 -14.254  -8.470
  570   1HG2  VAL  73          1HG2      VAL  73   7.469 -16.050  -5.359
  571   2HG2  VAL  73          2HG2      VAL  73   7.381 -14.563  -4.383
  572   3HG2  VAL  73          3HG2      VAL  73   6.288 -14.781  -5.747
  573    H    ALA  74           H        ALA  74  11.054 -15.459  -8.034
  574    HA   ALA  74           HA       ALA  74  13.102 -13.382  -8.015
  575   1HB   ALA  74          2HB       ALA  74  13.739 -15.721  -8.514
  576   2HB   ALA  74          3HB       ALA  74  12.629 -15.724  -9.912
  577   3HB   ALA  74          1HB       ALA  74  14.048 -14.662  -9.905
  578    H    GLY  75           H        GLY  75  13.149 -11.581  -9.307
  579   1HA   GLY  75          1HA       GLY  75  11.142 -11.297 -11.468
  580   2HA   GLY  75          2HA       GLY  75  11.609 -10.005 -10.355
  581    H    ARG  76           H        ARG  76  12.540  -8.597 -11.554
  582    HA   ARG  76           HA       ARG  76  14.404  -9.227 -13.754
  583   1HB   ARG  76          1HB       ARG  76  13.629  -6.507 -12.576
  584   2HB   ARG  76          2HB       ARG  76  14.372  -6.804 -14.135
  585   1HG   ARG  76          1HG       ARG  76  11.540  -7.661 -13.362
  586   2HG   ARG  76          2HG       ARG  76  11.966  -6.133 -14.093
  587   1HD   ARG  76          1HD       ARG  76  12.569  -8.795 -15.410
  588   2HD   ARG  76          2HD       ARG  76  11.043  -7.937 -15.626
  589    HE   ARG  76           HE       ARG  76  13.539  -7.383 -16.885
  590   1HH1  ARG  76          2HH2      ARG  76  10.728  -5.560 -15.563
  591   2HH1  ARG  76          1HH2      ARG  76  10.715  -4.405 -16.813
  592   1HH2  ARG  76          2HH1      ARG  76  13.589  -5.711 -18.482
  593   2HH2  ARG  76          1HH1      ARG  76  12.431  -4.434 -18.456
  594    H    ASN  77           H        ASN  77  14.349  -7.378 -10.649
  595    HA   ASN  77           HA       ASN  77  17.307  -7.248 -10.742
  596   1HB   ASN  77          1HB       ASN  77  16.993  -5.780  -8.694
  597   2HB   ASN  77          2HB       ASN  77  16.496  -5.156 -10.257
  598   1HD2  ASN  77          2HD2      ASN  77  13.143  -6.216  -8.214
  599   2HD2  ASN  77          1HD2      ASN  77  14.419  -7.400  -8.252
  600    H    GLY  78           H        GLY  78  18.058  -9.219 -10.253
  601   1HA   GLY  78          1HA       GLY  78  18.784 -10.918  -8.862
  602   2HA   GLY  78          2HA       GLY  78  18.238  -9.946  -7.476
  603    HA   PRO  79           HA       PRO  79  15.184 -13.405  -7.892
  604   1HB   PRO  79          1HB       PRO  79  15.576 -14.731  -5.554
  605   2HB   PRO  79          2HB       PRO  79  16.667 -14.961  -6.956
  606   1HG   PRO  79          1HG       PRO  79  17.088 -13.129  -4.563
  607   2HG   PRO  79          2HG       PRO  79  18.236 -14.323  -5.249
  608   1HD   PRO  79          1HD       PRO  79  18.272 -11.644  -5.903
  609   2HD   PRO  79          2HD       PRO  79  18.754 -12.921  -7.061
  610    H    GLY  80           H        GLY  80  14.450 -10.944  -7.659
  611   1HA   GLY  80          1HA       GLY  80  12.514 -10.893  -5.468
  612   2HA   GLY  80          2HA       GLY  80  13.655  -9.528  -5.582
  613    H    THR  81           H        THR  81  10.589 -10.414  -6.448
  614    HA   THR  81           HA       THR  81  10.671  -8.743  -8.917
  615    HB   THR  81           HB       THR  81  10.020 -11.236  -9.130
  616    HG1  THR  81           HG1      THR  81   9.392  -9.224 -10.478
  617   1HG2  THR  81          2HG2      THR  81   8.486 -11.260  -7.150
  618   2HG2  THR  81          3HG2      THR  81   7.333 -10.302  -8.100
  619   3HG2  THR  81          1HG2      THR  81   7.801 -11.918  -8.657
  620    H    GLY  82           H        GLY  82   8.530  -7.582  -9.333
  621   1HA   GLY  82          1HA       GLY  82   6.725  -7.139  -7.135
  622   2HA   GLY  82          2HA       GLY  82   7.863  -5.795  -7.346
  623    H    PHE  83           H        PHE  83   5.400  -5.067  -7.596
  624    HA   PHE  83           HA       PHE  83   4.738  -4.862 -10.481
  625   1HB   PHE  83          1HB       PHE  83   2.687  -5.385  -8.278
  626   2HB   PHE  83          2HB       PHE  83   2.335  -5.023  -9.929
  627    HD1  PHE  83           HD1      PHE  83   4.258  -7.624  -7.937
  628    HD2  PHE  83           HD2      PHE  83   1.701  -6.764 -11.307
  629    HE1  PHE  83           HE1      PHE  83   4.320 -10.008  -8.604
  630    HE2  PHE  83           HE2      PHE  83   1.732  -9.166 -11.927
  631    HZ   PHE  83           HZ       PHE  83   3.112 -10.756 -10.633
  632    H    LEU  84           H        LEU  84   3.699  -3.015 -11.003
  633    HA   LEU  84           HA       LEU  84   3.755  -0.730  -9.120
  634   1HB   LEU  84          1HB       LEU  84   5.212  -0.447 -11.039
  635   2HB   LEU  84          2HB       LEU  84   3.918  -0.878 -12.159
  636    HG   LEU  84           HG       LEU  84   3.381   1.426 -10.296
  637   1HD1  LEU  84          2HD1      LEU  84   5.262   1.641 -12.683
  638   2HD1  LEU  84          3HD1      LEU  84   4.580   3.009 -11.775
  639   3HD1  LEU  84          1HD1      LEU  84   5.690   1.887 -10.975
  640   1HD2  LEU  84          3HD2      LEU  84   1.694   0.706 -12.018
  641   2HD2  LEU  84          1HD2      LEU  84   2.273   2.347 -12.317
  642   3HD2  LEU  84          2HD2      LEU  84   2.895   1.000 -13.281
  643    H    ILE  85           H        ILE  85   1.734   0.123  -8.593
  644    HA   ILE  85           HA       ILE  85  -0.606  -0.846 -10.103
  645    HB   ILE  85           HB       ILE  85  -0.442  -0.782  -7.052
  646   1HG1  ILE  85          1HG1      ILE  85   0.207  -3.124  -8.889
  647   2HG1  ILE  85          2HG1      ILE  85   1.243  -2.416  -7.670
  648   1HG2  ILE  85          3HG2      ILE  85  -2.679  -0.733  -8.150
  649   2HG2  ILE  85          1HG2      ILE  85  -2.306  -2.265  -8.942
  650   3HG2  ILE  85          2HG2      ILE  85  -2.432  -2.169  -7.178
  651   1HD1  ILE  85          1HD1      ILE  85  -0.188  -3.238  -5.874
  652   2HD1  ILE  85          2HD1      ILE  85  -1.254  -4.024  -7.069
  653   3HD1  ILE  85          3HD1      ILE  85   0.416  -4.534  -6.938
  654    H    ARG  86           H        ARG  86  -2.442   0.555  -9.800
  655    HA   ARG  86           HA       ARG  86  -1.755   3.375  -9.031
  656   1HB   ARG  86          1HB       ARG  86  -3.378   2.320 -11.391
  657   2HB   ARG  86          2HB       ARG  86  -3.047   4.020 -11.060
  658   1HG   ARG  86          1HG       ARG  86  -0.756   3.829 -11.701
  659   2HG   ARG  86          2HG       ARG  86  -0.741   2.075 -11.536
  660   1HD   ARG  86          1HD       ARG  86  -2.388   1.915 -13.429
  661   2HD   ARG  86          2HD       ARG  86  -2.109   3.632 -13.741
  662    HE   ARG  86           HE       ARG  86  -0.298   1.322 -14.194
  663   1HH1  ARG  86          2HH2      ARG  86  -0.405   4.855 -14.047
  664   2HH1  ARG  86          1HH2      ARG  86   0.986   5.068 -15.059
  665   1HH2  ARG  86          2HH1      ARG  86   1.476   1.556 -15.500
  666   2HH2  ARG  86          1HH1      ARG  86   2.114   3.088 -15.924
  667    H    GLY  87           H        GLY  87  -3.493   4.530  -7.906
  668   1HA   GLY  87          1HA       GLY  87  -6.165   3.530  -7.809
  669   2HA   GLY  87          2HA       GLY  87  -5.222   2.999  -6.404
  670    H    SER  88           H        SER  88  -7.103   4.356  -5.500
  671    HA   SER  88           HA       SER  88  -6.149   7.152  -5.017
  672   1HB   SER  88          1HB       SER  88  -8.981   6.052  -4.994
  673   2HB   SER  88          2HB       SER  88  -8.514   7.696  -4.526
  674    HG   SER  88           HG       SER  88  -8.142   8.223  -6.498
  675    H    ALA  89           H        ALA  89  -5.836   7.722  -2.872
  676    HA   ALA  89           HA       ALA  89  -5.864   5.604  -0.769
  677   1HB   ALA  89          1HB       ALA  89  -4.825   8.469  -1.011
  678   2HB   ALA  89          2HB       ALA  89  -4.771   7.543   0.489
  679   3HB   ALA  89          3HB       ALA  89  -3.878   6.969  -0.927
  680    H    ALA  90           H        ALA  90  -6.964   6.064   1.279
  681    HA   ALA  90           HA       ALA  90  -8.373   8.554   1.786
  682   1HB   ALA  90          1HB       ALA  90  -9.937   5.933   1.449
  683   2HB   ALA  90          2HB       ALA  90 -10.593   7.430   2.151
  684   3HB   ALA  90          3HB       ALA  90 -10.106   7.396   0.447
  685    H    PHE  91           H        PHE  91  -8.030   8.908   3.978
  686    HA   PHE  91           HA       PHE  91  -7.106   6.706   5.705
  687   1HB   PHE  91          1HB       PHE  91  -7.448   9.710   6.018
  688   2HB   PHE  91          2HB       PHE  91  -7.212   8.680   7.407
  689    HD1  PHE  91           HD1      PHE  91  -5.392   8.464   4.072
  690    HD2  PHE  91           HD2      PHE  91  -5.211   9.434   8.280
  691    HE1  PHE  91           HE1      PHE  91  -2.918   8.653   3.952
  692    HE2  PHE  91           HE2      PHE  91  -2.772   9.629   8.127
  693    HZ   PHE  91           HZ       PHE  91  -1.611   9.209   5.953
  694    H    ARG  92           H        ARG  92  -8.166   5.952   7.529
  695    HA   ARG  92           HA       ARG  92 -10.707   7.131   8.322
  696   1HB   ARG  92          1HB       ARG  92 -10.507   4.187   7.763
  697   2HB   ARG  92          2HB       ARG  92 -11.550   4.840   9.017
  698   1HG   ARG  92          1HG       ARG  92 -13.068   4.922   7.353
  699   2HG   ARG  92          2HG       ARG  92 -12.389   6.519   7.187
  700   1HD   ARG  92          1HD       ARG  92 -11.818   6.110   5.134
  701   2HD   ARG  92          2HD       ARG  92 -10.670   4.898   5.672
  702    HE   ARG  92           HE       ARG  92 -12.815   4.371   4.073
  703   1HH1  ARG  92          2HH2      ARG  92 -12.381   3.083   7.462
  704   2HH1  ARG  92          1HH2      ARG  92 -12.971   1.526   6.950
  705   1HH2  ARG  92          2HH1      ARG  92 -13.773   2.227   3.712
  706   2HH2  ARG  92          1HH1      ARG  92 -13.633   1.070   5.025
  707    H    THR  93           H        THR  93 -10.965   7.151  10.612
  708    HA   THR  93           HA       THR  93  -8.924   5.781  12.283
  709    HB   THR  93           HB       THR  93  -9.588   7.637  13.889
  710    HG1  THR  93           HG1      THR  93 -11.468   8.379  13.133
  711   1HG2  THR  93          2HG2      THR  93  -7.538   7.823  12.491
  712   2HG2  THR  93          3HG2      THR  93  -8.481   8.639  11.221
  713   3HG2  THR  93          1HG2      THR  93  -8.286   9.393  12.814
  714    H    ASP  94           H        ASP  94 -11.453   4.644  11.004
  715    HA   ASP  94           HA       ASP  94 -12.870   3.638  13.332
  716   1HB   ASP  94          1HB       ASP  94 -13.998   5.769  13.042
  717   2HB   ASP  94          2HB       ASP  94 -14.015   5.593  11.285
  718    H    GLY  95           H        GLY  95 -14.629   2.186  12.503
  719   1HA   GLY  95          1HA       GLY  95 -15.596   0.673  11.164
  720   2HA   GLY  95          2HA       GLY  95 -14.583   1.204   9.812
  721    HA   PRO  96           HA       PRO  96 -13.418  -3.138  11.277
  722   1HB   PRO  96          1HB       PRO  96 -13.690  -4.386   8.830
  723   2HB   PRO  96          2HB       PRO  96 -14.975  -4.238  10.068
  724   1HG   PRO  96          1HG       PRO  96 -14.502  -2.466   7.653
  725   2HG   PRO  96          2HG       PRO  96 -16.043  -3.196   8.209
  726   1HD   PRO  96          1HD       PRO  96 -15.427  -0.638   8.801
  727   2HD   PRO  96          2HD       PRO  96 -16.199  -1.679  10.037
  728    H    GLU  97           H        GLU  97 -12.358  -0.765   9.178
  729    HA   GLU  97           HA       GLU  97  -9.861  -1.916   8.207
  730   1HB   GLU  97          1HB       GLU  97 -11.095   0.862   8.313
  731   2HB   GLU  97          2HB       GLU  97  -9.411   0.614   7.869
  732   1HG   GLU  97          1HG       GLU  97 -10.828   0.769   5.888
  733   2HG   GLU  97          2HG       GLU  97  -9.958  -0.751   6.011
  734    H    PHE  98           H        PHE  98 -10.791   0.597  10.618
  735    HA   PHE  98           HA       PHE  98  -8.192   0.707  11.765
  736   1HB   PHE  98          1HB       PHE  98  -9.983   2.516  11.706
  737   2HB   PHE  98          2HB       PHE  98 -10.763   1.659  13.035
  738    HD1  PHE  98           HD1      PHE  98  -7.261   2.723  12.060
  739    HD2  PHE  98           HD2      PHE  98 -10.287   2.680  15.138
  740    HE1  PHE  98           HE1      PHE  98  -5.700   3.853  13.618
  741    HE2  PHE  98           HE2      PHE  98  -8.740   3.865  16.661
  742    HZ   PHE  98           HZ       PHE  98  -6.426   4.435  15.908
  743    H    GLU  99           H        GLU  99 -11.138  -1.196  12.504
  744    HA   GLU  99           HA       GLU  99 -10.201  -2.361  14.924
  745   1HB   GLU  99          1HB       GLU  99 -11.965  -3.523  12.744
  746   2HB   GLU  99          2HB       GLU  99 -11.744  -4.243  14.331
  747   1HG   GLU  99          1HG       GLU  99 -12.891  -2.455  15.432
  748   2HG   GLU  99          2HG       GLU  99 -12.890  -1.450  13.978
  749    H    ALA 100           H        ALA 100 -10.068  -3.701  11.542
  750    HA   ALA 100           HA       ALA 100  -8.560  -5.988  12.337
  751   1HB   ALA 100          3HB       ALA 100  -8.938  -4.688   9.653
  752   2HB   ALA 100          1HB       ALA 100  -8.123  -6.259   9.883
  753   3HB   ALA 100          2HB       ALA 100  -9.837  -6.060  10.319
  754    H    ILE 101           H        ILE 101  -7.492  -2.701  11.691
  755    HA   ILE 101           HA       ILE 101  -4.684  -3.655  11.793
  756    HB   ILE 101           HB       ILE 101  -3.857  -1.625  11.159
  757   1HG1  ILE 101          1HG1      ILE 101  -5.698   0.173  10.426
  758   2HG1  ILE 101          2HG1      ILE 101  -6.493  -0.513  11.863
  759   1HG2  ILE 101          1HG2      ILE 101  -4.713  -3.121   9.407
  760   2HG2  ILE 101          2HG2      ILE 101  -6.240  -2.210   9.386
  761   3HG2  ILE 101          3HG2      ILE 101  -4.724  -1.417   8.926
  762   1HD1  ILE 101          1HD1      ILE 101  -3.698   0.658  11.746
  763   2HD1  ILE 101          2HD1      ILE 101  -5.131   1.493  12.367
  764   3HD1  ILE 101          3HD1      ILE 101  -4.514   0.064  13.215
  765    H    ALA 102           H        ALA 102  -7.063  -2.469  14.036
  766    HA   ALA 102           HA       ALA 102  -5.609  -1.348  16.038
  767   1HB   ALA 102          1HB       ALA 102  -8.076  -1.706  16.100
  768   2HB   ALA 102          2HB       ALA 102  -7.787  -3.417  16.509
  769   3HB   ALA 102          3HB       ALA 102  -7.262  -2.138  17.607
  770    H    ARG 103           H        ARG 103  -5.386  -4.676  15.018
  771    HA   ARG 103           HA       ARG 103  -4.111  -5.755  17.320
  772   1HB   ARG 103          1HB       ARG 103  -3.047  -7.436  15.813
  773   2HB   ARG 103          2HB       ARG 103  -4.791  -7.359  15.857
  774   1HG   ARG 103          1HG       ARG 103  -4.116  -7.871  13.662
  775   2HG   ARG 103          2HG       ARG 103  -4.862  -6.289  13.674
  776   1HD   ARG 103          1HD       ARG 103  -2.991  -5.253  12.869
  777   2HD   ARG 103          2HD       ARG 103  -1.915  -6.207  13.882
  778    HE   ARG 103           HE       ARG 103  -1.558  -7.696  12.246
  779   1HH1  ARG 103          2HH2      ARG 103  -4.486  -5.978  11.131
  780   2HH1  ARG 103          1HH2      ARG 103  -4.112  -6.195   9.461
  781   1HH2  ARG 103          2HH1      ARG 103  -1.171  -8.068   9.965
  782   2HH2  ARG 103          1HH1      ARG 103  -2.289  -7.475   8.802
  783    H    PHE 104           H        PHE 104  -2.766  -3.434  15.001
  784    HA   PHE 104           HA       PHE 104  -0.021  -3.829  16.085
  785   1HB   PHE 104          1HB       PHE 104  -1.127  -1.446  14.525
  786   2HB   PHE 104          2HB       PHE 104   0.557  -1.925  14.697
  787    HD1  PHE 104           HD2      PHE 104   0.969  -4.521  13.857
  788    HD2  PHE 104           HD1      PHE 104  -2.015  -1.765  12.417
  789    HE1  PHE 104           HE2      PHE 104   0.772  -5.834  11.759
  790    HE2  PHE 104           HE1      PHE 104  -2.241  -3.121  10.328
  791    HZ   PHE 104           HZ       PHE 104  -0.899  -5.148  10.041
  792    H    LYS 105           H        LYS 105   0.896  -1.505  17.319
  793    HA   LYS 105           HA       LYS 105  -1.491  -0.066  18.328
  794   1HB   LYS 105          1HB       LYS 105  -0.726  -2.072  19.751
  795   2HB   LYS 105          2HB       LYS 105   0.765  -1.193  20.011
  796   1HG   LYS 105          1HG       LYS 105  -0.102   0.126  21.495
  797   2HG   LYS 105          2HG       LYS 105  -1.471   0.605  20.498
  798   1HD   LYS 105          1HD       LYS 105  -1.381  -1.615  22.504
  799   2HD   LYS 105          2HD       LYS 105  -2.543  -0.320  22.325
  800   1HE   LYS 105          1HE       LYS 105  -2.357  -2.946  20.821
  801   2HE   LYS 105          2HE       LYS 105  -3.690  -2.319  21.778
  802   1HZ   LYS 105          2HZ       LYS 105  -4.083  -0.701  19.951
  803   2HZ   LYS 105          3HZ       LYS 105  -2.890  -1.441  19.061
  804   3HZ   LYS 105          1HZ       LYS 105  -4.189  -2.261  19.425
  805    H    TRP 106           H        TRP 106   1.068   0.327  16.451
  806    HA   TRP 106           HA       TRP 106   1.806   2.992  17.546
  807   1HB   TRP 106          1HB       TRP 106   3.575   2.755  15.715
  808   2HB   TRP 106          2HB       TRP 106   3.724   1.701  17.100
  809    HD1  TRP 106           HD1      TRP 106   4.095  -0.745  16.643
  810    HE1  TRP 106           HE1      TRP 106   4.070  -2.290  14.596
  811    HE3  TRP 106           HE3      TRP 106   2.062   2.460  13.191
  812    HZ2  TRP 106           HZ2      TRP 106   3.277  -2.161  11.801
  813    HZ3  TRP 106           HZ3      TRP 106   1.699   1.750  10.880
  814    HH2  TRP 106           HH2      TRP 106   2.461  -0.551  10.153
  815    H    ALA 107           H        ALA 107  -0.751   1.894  15.930
  816    HA   ALA 107           HA       ALA 107  -0.479   3.439  13.430
  817   1HB   ALA 107          3HB       ALA 107  -1.388   1.133  13.301
  818   2HB   ALA 107          1HB       ALA 107  -2.699   1.600  14.420
  819   3HB   ALA 107          2HB       ALA 107  -2.577   2.363  12.821
  820    H    ARG 108           H        ARG 108  -1.903   5.040  12.908
  821    HA   ARG 108           HA       ARG 108  -3.421   6.393  15.086
  822   1HB   ARG 108          1HB       ARG 108  -1.251   7.405  14.258
  823   2HB   ARG 108          2HB       ARG 108  -1.945   7.445  12.635
  824   1HG   ARG 108          1HG       ARG 108  -3.781   9.001  13.678
  825   2HG   ARG 108          2HG       ARG 108  -2.651   9.155  15.033
  826   1HD   ARG 108          1HD       ARG 108  -2.198   9.813  12.093
  827   2HD   ARG 108          2HD       ARG 108  -2.255  10.964  13.433
  828    HE   ARG 108           HE       ARG 108  -0.202   9.173  14.048
  829   1HH1  ARG 108          2HH2      ARG 108  -0.883  11.461  11.367
  830   2HH1  ARG 108          1HH2      ARG 108   0.688  11.943  11.150
  831   1HH2  ARG 108          2HH1      ARG 108   1.990   9.398  13.435
  832   2HH2  ARG 108          1HH1      ARG 108   2.479  10.769  12.509
  833    H    ALA 109           H        ALA 109  -3.471   5.077  11.870
  834    HA   ALA 109           HA       ALA 109  -6.315   5.475  11.493
  835   1HB   ALA 109          2HB       ALA 109  -4.350   7.407  10.319
  836   2HB   ALA 109          3HB       ALA 109  -5.402   6.642   9.122
  837   3HB   ALA 109          1HB       ALA 109  -6.092   7.533  10.484
  838    H    ALA 110           H        ALA 110  -6.952   4.567   9.460
  839    HA   ALA 110           HA       ALA 110  -5.258   2.373   8.401
  840   1HB   ALA 110          3HB       ALA 110  -7.366   1.663   9.545
  841   2HB   ALA 110          1HB       ALA 110  -8.292   2.743   8.481
  842   3HB   ALA 110          2HB       ALA 110  -7.398   1.370   7.794
  843    H    LEU 111           H        LEU 111  -4.298   3.176   6.654
  844    HA   LEU 111           HA       LEU 111  -5.480   5.190   4.868
  845   1HB   LEU 111          1HB       LEU 111  -3.181   5.473   5.377
  846   2HB   LEU 111          2HB       LEU 111  -2.799   3.780   5.125
  847    HG   LEU 111           HG       LEU 111  -2.977   3.982   2.739
  848   1HD1  LEU 111          3HD1      LEU 111  -4.080   6.764   3.222
  849   2HD1  LEU 111          1HD1      LEU 111  -3.433   6.224   1.672
  850   3HD1  LEU 111          2HD1      LEU 111  -4.856   5.427   2.355
  851   1HD2  LEU 111          1HD2      LEU 111  -0.878   4.736   3.798
  852   2HD2  LEU 111          2HD2      LEU 111  -1.201   5.611   2.294
  853   3HD2  LEU 111          3HD2      LEU 111  -1.498   6.399   3.855
  854    H    VAL 112           H        VAL 112  -7.180   4.237   3.845
  855    HA   VAL 112           HA       VAL 112  -7.107   1.502   2.781
  856    HB   VAL 112           HB       VAL 112  -9.177   3.751   2.569
  857   1HG1  VAL 112          3HG1      VAL 112  -9.431   0.796   1.917
  858   2HG1  VAL 112          1HG1      VAL 112 -10.743   2.003   1.917
  859   3HG1  VAL 112          2HG1      VAL 112  -9.426   2.137   0.747
  860   1HG2  VAL 112          2HG2      VAL 112  -9.073   1.339   4.427
  861   2HG2  VAL 112          3HG2      VAL 112  -8.949   3.045   4.910
  862   3HG2  VAL 112          1HG2      VAL 112 -10.455   2.431   4.235
  863    H    ILE 113           H        ILE 113  -6.560   1.082   0.642
  864    HA   ILE 113           HA       ILE 113  -6.227   3.431  -1.164
  865    HB   ILE 113           HB       ILE 113  -4.504   0.950  -0.876
  866   1HG1  ILE 113          1HG1      ILE 113  -4.201   2.964   0.791
  867   2HG1  ILE 113          2HG1      ILE 113  -2.841   2.234   0.034
  868   1HG2  ILE 113          2HG2      ILE 113  -4.357   3.153  -2.976
  869   2HG2  ILE 113          3HG2      ILE 113  -3.088   1.942  -2.684
  870   3HG2  ILE 113          1HG2      ILE 113  -4.684   1.432  -3.240
  871   1HD1  ILE 113          1HD1      ILE 113  -4.021   4.735  -1.032
  872   2HD1  ILE 113          2HD1      ILE 113  -2.697   4.673   0.152
  873   3HD1  ILE 113          3HD1      ILE 113  -2.467   3.987  -1.459
  874    H    THR 114           H        THR 114  -7.440   3.242  -2.901
  875    HA   THR 114           HA       THR 114  -8.974   0.761  -3.444
  876    HB   THR 114           HB       THR 114  -9.395   3.616  -4.446
  877    HG1  THR 114           HG1      THR 114  -9.790   3.731  -2.374
  878   1HG2  THR 114          2HG2      THR 114 -11.224   1.162  -4.455
  879   2HG2  THR 114          3HG2      THR 114 -11.646   2.801  -5.031
  880   3HG2  THR 114          1HG2      THR 114 -10.415   1.861  -5.870
  881    H    VAL 115           H        VAL 115  -7.219  -0.332  -4.384
  882    HA   VAL 115           HA       VAL 115  -5.629   0.656  -6.573
  883    HB   VAL 115           HB       VAL 115  -6.406  -2.072  -5.466
  884   1HG1  VAL 115          2HG1      VAL 115  -4.725  -1.504  -7.917
  885   2HG1  VAL 115          3HG1      VAL 115  -4.614  -3.012  -6.974
  886   3HG1  VAL 115          1HG1      VAL 115  -6.124  -2.564  -7.775
  887   1HG2  VAL 115          2HG2      VAL 115  -3.771  -0.540  -5.523
  888   2HG2  VAL 115          3HG2      VAL 115  -4.826  -0.771  -4.113
  889   3HG2  VAL 115          1HG2      VAL 115  -4.014  -2.160  -4.833
  890    H    VAL 116           H        VAL 116  -5.909   0.241  -8.819
  891    HA   VAL 116           HA       VAL 116  -8.669  -0.422  -9.684
  892    HB   VAL 116           HB       VAL 116  -6.762   1.651 -10.846
  893   1HG1  VAL 116          2HG1      VAL 116  -9.570   0.815 -11.713
  894   2HG1  VAL 116          3HG1      VAL 116  -8.630   2.161 -12.391
  895   3HG1  VAL 116          1HG1      VAL 116  -8.066   0.499 -12.609
  896   1HG2  VAL 116          1HG2      VAL 116  -9.450   1.975  -9.426
  897   2HG2  VAL 116          2HG2      VAL 116  -7.875   2.480  -8.794
  898   3HG2  VAL 116          3HG2      VAL 116  -8.538   3.277 -10.219
  899    H    SER 117           H        SER 117  -5.180  -0.139 -10.739
  900    HA   SER 117           HA       SER 117  -5.372  -2.877 -11.711
  901   1HB   SER 117          1HB       SER 117  -4.594  -0.535 -13.515
  902   2HB   SER 117          2HB       SER 117  -4.543  -2.246 -13.970
  903    HG   SER 117           HG       SER 117  -6.440  -1.165 -14.693
  904    H    ALA 118           H        ALA 118  -3.473  -3.952 -11.847
  905    HA   ALA 118           HA       ALA 118  -0.938  -2.645 -11.048
  906   1HB   ALA 118          3HB       ALA 118  -1.899  -5.531 -10.717
  907   2HB   ALA 118          1HB       ALA 118  -0.286  -4.938 -10.291
  908   3HB   ALA 118          2HB       ALA 118  -1.695  -4.349  -9.403
  909    H    GLU 119           H        GLU 119   0.926  -3.303 -12.155
  910    HA   GLU 119           HA       GLU 119   0.757  -5.179 -14.415
  911   1HB   GLU 119          1HB       GLU 119   1.979  -3.629 -15.838
  912   2HB   GLU 119          2HB       GLU 119   0.426  -2.966 -15.345
  913   1HG   GLU 119          1HG       GLU 119   2.073  -1.927 -13.390
  914   2HG   GLU 119          2HG       GLU 119   3.186  -2.036 -14.738
  915    H    GLN 120           H        GLN 120   2.792  -6.387 -14.610
  916    HA   GLN 120           HA       GLN 120   4.347  -6.339 -12.105
  917   1HB   GLN 120          1HB       GLN 120   3.594  -8.485 -13.293
  918   2HB   GLN 120          2HB       GLN 120   4.822  -8.148 -14.510
  919   1HG   GLN 120          1HG       GLN 120   6.605  -8.260 -12.858
  920   2HG   GLN 120          2HG       GLN 120   5.448  -8.261 -11.524
  921   1HE2  GLN 120          2HE2      GLN 120   6.634 -11.760 -11.932
  922   2HE2  GLN 120          1HE2      GLN 120   7.371 -10.251 -11.448
  923    H    THR 121           H        THR 121   6.502  -5.580 -11.988
  924    HA   THR 121           HA       THR 121   7.538  -4.322 -14.480
  925    HB   THR 121           HB       THR 121   8.133  -2.351 -13.073
  926    HG1  THR 121           HG1      THR 121   7.925  -3.043 -11.015
  927   1HG2  THR 121          2HG2      THR 121   6.135  -2.420 -14.606
  928   2HG2  THR 121          3HG2      THR 121   5.136  -2.841 -13.201
  929   3HG2  THR 121          1HG2      THR 121   5.999  -1.291 -13.253
  930    H    LEU 122           H        LEU 122   8.512  -5.267 -11.137
  931    HA   LEU 122           HA       LEU 122  11.323  -5.265 -12.094
  932   1HB   LEU 122          1HB       LEU 122  12.078  -4.582  -9.956
  933   2HB   LEU 122          2HB       LEU 122  10.924  -3.418 -10.561
  934    HG   LEU 122           HG       LEU 122   9.261  -5.039  -9.082
  935   1HD1  LEU 122          2HD1      LEU 122  11.193  -6.384  -8.212
  936   2HD1  LEU 122          3HD1      LEU 122  11.873  -4.895  -7.512
  937   3HD1  LEU 122          1HD1      LEU 122  10.324  -5.533  -6.928
  938   1HD2  LEU 122          3HD2      LEU 122   9.322  -2.602  -8.971
  939   2HD2  LEU 122          1HD2      LEU 122   9.323  -3.306  -7.349
  940   3HD2  LEU 122          2HD2      LEU 122  10.833  -2.665  -8.037
  941    HN3  FMN 123           HN3      FMN 123   2.171   2.555   8.495
  942    H6   FMN 123           H6       FMN 123   7.815  -0.717   6.183
  943   1HM7  FMN 123          1HM7      FMN 123   9.622  -1.254   4.714
  944   2HM7  FMN 123          2HM7      FMN 123  10.735  -0.013   4.157
  945   3HM7  FMN 123          3HM7      FMN 123  11.073  -0.858   5.678
  946   1HM8  FMN 123          1HM8      FMN 123  11.370   2.317   4.364
  947   2HM8  FMN 123          2HM8      FMN 123  11.684   3.261   5.827
  948   3HM8  FMN 123          3HM8      FMN 123  12.127   1.550   5.783
  949    H9   FMN 123           H9       FMN 123   9.633   3.881   6.724
  950   1H1*  FMN 123          1H1*      FMN 123   7.445   4.930   9.345
  951   2H1*  FMN 123          2H1*      FMN 123   8.839   4.775   8.353
  952    H2*  FMN 123           H2*      FMN 123   7.858   6.981   8.153
  953   *HO2  FMN 123          *HO2      FMN 123   5.798   7.126   8.220
  954    H3*  FMN 123           H3*      FMN 123   7.639   5.334   5.629
  955   *HO3  FMN 123          *HO3      FMN 123   9.528   6.820   5.324
  956    H4*  FMN 123           H4*      FMN 123   6.302   7.166   5.063
  957   *HO4  FMN 123          *HO4      FMN 123   7.819   8.434   3.771
  958   1H5*  FMN 123          1H5*      FMN 123   6.698   8.831   6.878
  959   2H5*  FMN 123          2H5*      FMN 123   8.250   9.251   6.119
   
  No H/Q in entry =         959
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1 -10.005  -9.275 -11.233
    2   2H    MET   1          2H        MET   1 -11.116  -8.934 -12.432
    3   3H    MET   1          3H        MET   1  -9.647  -9.610 -12.790
    4    HA   MET   1           HA       MET   1  -9.554  -7.384 -13.418
    5   1HB   MET   1          1HB       MET   1 -10.239  -6.693 -10.525
    6   2HB   MET   1          2HB       MET   1  -9.786  -5.565 -11.815
    7   1HG   MET   1          1HG       MET   1 -12.293  -7.231 -11.540
    8   2HG   MET   1          2HG       MET   1 -12.163  -5.483 -11.685
    9   1HE   MET   1          1HE       MET   1 -12.068  -4.175 -13.921
   10   2HE   MET   1          2HE       MET   1 -10.422  -4.807 -14.162
   11   3HE   MET   1          3HE       MET   1 -11.610  -4.891 -15.478
   12    H    LEU   2           H        LEU   2  -8.363  -7.559  -9.969
   13    HA   LEU   2           HA       LEU   2  -5.679  -7.003 -10.889
   14   1HB   LEU   2          1HB       LEU   2  -6.925  -7.922  -8.254
   15   2HB   LEU   2          2HB       LEU   2  -5.193  -7.784  -8.474
   16    HG   LEU   2           HG       LEU   2  -5.368  -5.372  -8.920
   17   1HD1  LEU   2          3HD1      LEU   2  -8.354  -5.742  -8.401
   18   2HD1  LEU   2          1HD1      LEU   2  -7.526  -4.182  -8.335
   19   3HD1  LEU   2          2HD1      LEU   2  -7.578  -5.052  -9.858
   20   1HD2  LEU   2          2HD2      LEU   2  -6.740  -6.317  -6.358
   21   2HD2  LEU   2          3HD2      LEU   2  -4.994  -6.174  -6.633
   22   3HD2  LEU   2          1HD2      LEU   2  -5.997  -4.727  -6.585
   23    HA   PRO   3           HA       PRO   3  -4.752 -11.256 -11.933
   24   1HB   PRO   3          1HB       PRO   3  -2.062 -11.483 -11.348
   25   2HB   PRO   3          2HB       PRO   3  -2.684 -10.537 -12.720
   26   1HG   PRO   3          1HG       PRO   3  -1.835  -9.539 -10.009
   27   2HG   PRO   3          2HG       PRO   3  -1.464  -8.843 -11.615
   28   1HD   PRO   3          1HD       PRO   3  -3.462  -7.873 -10.020
   29   2HD   PRO   3          2HD       PRO   3  -3.585  -7.872 -11.804
   30    H    GLY   4           H        GLY   4  -4.402 -13.391 -10.940
   31   1HA   GLY   4          1HA       GLY   4  -4.998 -13.656  -8.164
   32   2HA   GLY   4          2HA       GLY   4  -4.310 -14.918  -9.200
   33    H    THR   5           H        THR   5  -1.887 -13.744  -9.980
   34    HA   THR   5           HA       THR   5  -0.068 -14.296  -8.066
   35    HB   THR   5           HB       THR   5   0.250 -12.158 -10.182
   36    HG1  THR   5           HG1      THR   5   0.473 -14.893 -10.754
   37   1HG2  THR   5          2HG2      THR   5   2.160 -14.360  -9.245
   38   2HG2  THR   5          3HG2      THR   5   2.489 -13.174 -10.528
   39   3HG2  THR   5          1HG2      THR   5   2.292 -12.638  -8.854
   40    H    PHE   6           H        PHE   6  -1.715 -11.098  -8.490
   41    HA   PHE   6           HA       PHE   6  -0.048  -9.575  -6.759
   42   1HB   PHE   6          1HB       PHE   6  -1.743  -8.412  -8.005
   43   2HB   PHE   6          2HB       PHE   6  -3.022  -9.466  -7.417
   44    HD1  PHE   6           HD2      PHE   6  -0.810  -6.699  -6.501
   45    HD2  PHE   6           HD1      PHE   6  -4.179  -9.089  -5.318
   46    HE1  PHE   6           HE2      PHE   6  -1.255  -5.142  -4.585
   47    HE2  PHE   6           HE1      PHE   6  -4.614  -7.558  -3.431
   48    HZ   PHE   6           HZ       PHE   6  -3.104  -5.595  -3.049
   49    H    PHE   7           H        PHE   7  -2.971 -11.533  -6.027
   50    HA   PHE   7           HA       PHE   7  -2.940 -11.092  -3.220
   51   1HB   PHE   7          1HB       PHE   7  -4.136 -13.416  -4.790
   52   2HB   PHE   7          2HB       PHE   7  -4.460 -13.028  -3.112
   53    HD1  PHE   7           HD2      PHE   7  -5.030 -11.982  -6.611
   54    HD2  PHE   7           HD1      PHE   7  -5.885 -11.125  -2.478
   55    HE1  PHE   7           HE2      PHE   7  -6.788 -10.388  -7.313
   56    HE2  PHE   7           HE1      PHE   7  -7.659  -9.535  -3.178
   57    HZ   PHE   7           HZ       PHE   7  -8.110  -9.152  -5.581
   58    H    GLU   8           H        GLU   8  -1.650 -13.788  -5.242
   59    HA   GLU   8           HA       GLU   8  -0.634 -15.319  -3.112
   60   1HB   GLU   8          1HB       GLU   8   0.678 -15.033  -5.843
   61   2HB   GLU   8          2HB       GLU   8   0.885 -16.351  -4.693
   62   1HG   GLU   8          1HG       GLU   8  -1.524 -15.710  -6.402
   63   2HG   GLU   8          2HG       GLU   8  -0.586 -17.190  -6.341
   64    H    VAL   9           H        VAL   9   0.965 -12.511  -4.712
   65    HA   VAL   9           HA       VAL   9   3.375 -12.850  -3.143
   66    HB   VAL   9           HB       VAL   9   2.340 -10.466  -4.728
   67   1HG1  VAL   9          3HG1      VAL   9   5.029 -10.953  -3.367
   68   2HG1  VAL   9          1HG1      VAL   9   4.765  -9.726  -4.619
   69   3HG1  VAL   9          2HG1      VAL   9   3.903  -9.610  -3.074
   70   1HG2  VAL   9          1HG2      VAL   9   2.944 -12.510  -6.081
   71   2HG2  VAL   9          2HG2      VAL   9   4.035 -11.154  -6.375
   72   3HG2  VAL   9          3HG2      VAL   9   4.544 -12.502  -5.334
   73    H    LEU  10           H        LEU  10   0.414 -10.793  -2.723
   74    HA   LEU  10           HA       LEU  10   1.293  -9.585  -0.291
   75   1HB   LEU  10          1HB       LEU  10  -1.406 -10.005  -1.507
   76   2HB   LEU  10          2HB       LEU  10  -1.295  -9.470   0.153
   77    HG   LEU  10           HG       LEU  10  -1.586  -7.705  -1.698
   78   1HD1  LEU  10          1HD1      LEU  10  -1.129  -7.171   0.652
   79   2HD1  LEU  10          2HD1      LEU  10   0.606  -7.375   0.383
   80   3HD1  LEU  10          3HD1      LEU  10  -0.271  -6.056  -0.416
   81   1HD2  LEU  10          2HD2      LEU  10   0.227  -8.330  -3.241
   82   2HD2  LEU  10          3HD2      LEU  10   0.429  -6.693  -2.607
   83   3HD2  LEU  10          1HD2      LEU  10   1.433  -7.999  -1.968
   84    H    LYS  11           H        LYS  11  -0.261 -12.757  -0.760
   85    HA   LYS  11           HA       LYS  11  -0.741 -13.371   1.976
   86   1HB   LYS  11          1HB       LYS  11   0.211 -15.186  -0.275
   87   2HB   LYS  11          2HB       LYS  11  -0.264 -15.771   1.317
   88   1HG   LYS  11          1HG       LYS  11  -2.549 -14.958   1.026
   89   2HG   LYS  11          2HG       LYS  11  -2.122 -14.217  -0.515
   90   1HD   LYS  11          1HD       LYS  11  -1.377 -16.598  -1.248
   91   2HD   LYS  11          2HD       LYS  11  -2.301 -17.170   0.155
   92   1HE   LYS  11          1HE       LYS  11  -4.342 -16.049  -0.755
   93   2HE   LYS  11          2HE       LYS  11  -3.357 -15.371  -2.069
   94   1HZ   LYS  11          3HZ       LYS  11  -2.811 -17.728  -2.632
   95   2HZ   LYS  11          1HZ       LYS  11  -4.169 -18.183  -1.784
   96   3HZ   LYS  11          2HZ       LYS  11  -4.158 -17.150  -3.122
   97    H    ASN  12           H        ASN  12   2.319 -12.920   0.366
   98    HA   ASN  12           HA       ASN  12   3.794 -14.360   2.513
   99   1HB   ASN  12          1HB       ASN  12   4.590 -13.493  -0.310
  100   2HB   ASN  12          2HB       ASN  12   5.735 -14.074   0.883
  101   1HD2  ASN  12          2HD2      ASN  12   3.339 -16.826  -0.939
  102   2HD2  ASN  12          1HD2      ASN  12   2.884 -15.152  -1.141
  103    H    GLU  13           H        GLU  13   5.814 -13.262   3.175
  104    HA   GLU  13           HA       GLU  13   5.439 -10.423   3.732
  105   1HB   GLU  13          1HB       GLU  13   6.508 -11.772   5.376
  106   2HB   GLU  13          2HB       GLU  13   7.628 -12.489   4.231
  107   1HG   GLU  13          1HG       GLU  13   7.744  -9.489   4.701
  108   2HG   GLU  13          2HG       GLU  13   8.382 -10.582   5.938
  109    H    GLY  14           H        GLY  14   6.447  -8.698   2.663
  110   1HA   GLY  14          1HA       GLY  14   8.405  -8.992   0.648
  111   2HA   GLY  14          2HA       GLY  14   6.763  -8.806  -0.034
  112    H    VAL  15           H        VAL  15   8.396  -6.826  -0.621
  113    HA   VAL  15           HA       VAL  15   8.391  -4.629   1.375
  114    HB   VAL  15           HB       VAL  15   9.695  -4.876  -1.391
  115   1HG1  VAL  15          2HG1      VAL  15  10.026  -2.746   0.775
  116   2HG1  VAL  15          3HG1      VAL  15  11.025  -2.873  -0.690
  117   3HG1  VAL  15          1HG1      VAL  15   9.307  -2.516  -0.833
  118   1HG2  VAL  15          3HG2      VAL  15  10.788  -6.405   0.256
  119   2HG2  VAL  15          1HG2      VAL  15  11.847  -5.079  -0.247
  120   3HG2  VAL  15          2HG2      VAL  15  11.030  -5.007   1.325
  121    H    VAL  16           H        VAL  16   7.143  -2.757   0.911
  122    HA   VAL  16           HA       VAL  16   5.771  -2.604  -1.671
  123    HB   VAL  16           HB       VAL  16   4.445  -2.333   1.042
  124   1HG1  VAL  16          3HG1      VAL  16   3.224  -1.975  -1.735
  125   2HG1  VAL  16          1HG1      VAL  16   2.300  -2.060  -0.227
  126   3HG1  VAL  16          2HG1      VAL  16   3.394  -0.715  -0.489
  127   1HG2  VAL  16          3HG2      VAL  16   4.103  -4.424  -1.124
  128   2HG2  VAL  16          1HG2      VAL  16   4.664  -4.667   0.540
  129   3HG2  VAL  16          2HG2      VAL  16   2.992  -4.227   0.235
  130    H    ALA  17           H        ALA  17   5.094  -0.383  -2.105
  131    HA   ALA  17           HA       ALA  17   6.106   1.704  -0.402
  132   1HB   ALA  17          1HB       ALA  17   7.898   0.924  -2.279
  133   2HB   ALA  17          2HB       ALA  17   6.865   1.953  -3.300
  134   3HB   ALA  17          3HB       ALA  17   7.661   2.617  -1.865
  135    H    ILE  18           H        ILE  18   5.121   3.803  -1.043
  136    HA   ILE  18           HA       ILE  18   2.709   3.570  -2.762
  137    HB   ILE  18           HB       ILE  18   2.716   4.482   0.143
  138   1HG1  ILE  18          1HG1      ILE  18   1.024   2.205  -0.945
  139   2HG1  ILE  18          2HG1      ILE  18   2.652   1.898  -0.353
  140   1HG2  ILE  18          2HG2      ILE  18   0.445   4.418  -1.906
  141   2HG2  ILE  18          3HG2      ILE  18   0.252   4.799  -0.180
  142   3HG2  ILE  18          1HG2      ILE  18   1.194   5.867  -1.203
  143   1HD1  ILE  18          1HD1      ILE  18   2.122   2.880   1.825
  144   2HD1  ILE  18          2HD1      ILE  18   0.432   3.087   1.307
  145   3HD1  ILE  18          3HD1      ILE  18   1.149   1.460   1.406
  146    H    ALA  19           H        ALA  19   2.902   5.284  -4.124
  147    HA   ALA  19           HA       ALA  19   4.416   7.722  -3.301
  148   1HB   ALA  19          1HB       ALA  19   4.673   6.369  -5.640
  149   2HB   ALA  19          2HB       ALA  19   3.390   7.543  -6.047
  150   3HB   ALA  19          3HB       ALA  19   4.934   8.117  -5.436
  151    H    THR  20           H        THR  20   3.203   8.966  -2.166
  152    HA   THR  20           HA       THR  20   0.298   9.016  -2.581
  153    HB   THR  20           HB       THR  20   1.896  10.678  -0.584
  154    HG1  THR  20           HG1      THR  20   2.674   8.772  -0.088
  155   1HG2  THR  20          1HG2      THR  20  -0.664  10.895  -0.912
  156   2HG2  THR  20          2HG2      THR  20  -0.796   9.194  -0.460
  157   3HG2  THR  20          3HG2      THR  20  -0.183  10.373   0.705
  158    H    GLN  21           H        GLN  21  -0.492  10.694  -4.143
  159    HA   GLN  21           HA       GLN  21   1.410  12.805  -4.875
  160   1HB   GLN  21          1HB       GLN  21  -0.245  11.791  -6.546
  161   2HB   GLN  21          2HB       GLN  21  -1.531  12.468  -5.549
  162   1HG   GLN  21          1HG       GLN  21  -1.001  13.827  -7.554
  163   2HG   GLN  21          2HG       GLN  21  -0.881  14.719  -6.043
  164   1HE2  GLN  21          2HE2      GLN  21   2.404  15.742  -6.788
  165   2HE2  GLN  21          1HE2      GLN  21   0.892  16.014  -5.945
  166    H    GLY  22           H        GLY  22   1.278  14.928  -4.144
  167   1HA   GLY  22          1HA       GLY  22  -0.854  15.613  -2.184
  168   2HA   GLY  22          2HA       GLY  22   0.849  15.938  -1.790
  169    H    GLU  23           H        GLU  23   2.064  17.418  -3.209
  170    HA   GLU  23           HA       GLU  23   0.588  18.993  -5.209
  171   1HB   GLU  23          1HB       GLU  23  -0.106  19.882  -2.984
  172   2HB   GLU  23          2HB       GLU  23   1.579  20.193  -2.572
  173   1HG   GLU  23          1HG       GLU  23   1.752  21.804  -4.445
  174   2HG   GLU  23          2HG       GLU  23   0.102  21.411  -4.950
  175    H    ASP  24           H        ASP  24   3.402  19.085  -2.998
  176    HA   ASP  24           HA       ASP  24   5.299  20.149  -4.862
  177   1HB   ASP  24          1HB       ASP  24   6.745  20.023  -2.866
  178   2HB   ASP  24          2HB       ASP  24   5.191  20.747  -2.469
  179    H    GLY  25           H        GLY  25   4.245  17.736  -5.812
  180   1HA   GLY  25          1HA       GLY  25   5.166  15.914  -6.993
  181   2HA   GLY  25          2HA       GLY  25   6.649  16.025  -6.031
  182    HA   PRO  26           HA       PRO  26   3.560  12.976  -4.185
  183   1HB   PRO  26          1HB       PRO  26   4.026  10.547  -5.365
  184   2HB   PRO  26          2HB       PRO  26   2.856  11.718  -5.968
  185   1HG   PRO  26          1HG       PRO  26   5.710  11.292  -6.909
  186   2HG   PRO  26          2HG       PRO  26   4.234  11.475  -7.916
  187   1HD   PRO  26          1HD       PRO  26   5.945  13.560  -7.401
  188   2HD   PRO  26          2HD       PRO  26   4.181  13.803  -7.571
  189    H    HIS  27           H        HIS  27   4.074  11.488  -2.609
  190    HA   HIS  27           HA       HIS  27   6.999  11.427  -1.903
  191   1HB   HIS  27          1HB       HIS  27   5.340  12.732  -0.427
  192   2HB   HIS  27          2HB       HIS  27   4.671  11.183   0.024
  193    HD1  HIS  27           HD1      HIS  27   8.427  12.176  -0.264
  194    HD2  HIS  27           HD2      HIS  27   5.553  10.780   2.504
  195    HE1  HIS  27           HE1      HIS  27   9.673  11.640   1.892
  196    H    LEU  28           H        LEU  28   7.754   9.425  -2.552
  197    HA   LEU  28           HA       LEU  28   5.945   7.088  -2.443
  198   1HB   LEU  28          1HB       LEU  28   7.115   7.822  -4.503
  199   2HB   LEU  28          2HB       LEU  28   8.642   7.398  -3.745
  200    HG   LEU  28           HG       LEU  28   6.390   5.392  -4.110
  201   1HD1  LEU  28          3HD1      LEU  28   6.963   6.383  -6.309
  202   2HD1  LEU  28          1HD1      LEU  28   8.666   5.967  -6.050
  203   3HD1  LEU  28          2HD1      LEU  28   7.443   4.686  -6.209
  204   1HD2  LEU  28          1HD2      LEU  28   9.378   4.929  -3.882
  205   2HD2  LEU  28          2HD2      LEU  28   8.157   4.594  -2.631
  206   3HD2  LEU  28          3HD2      LEU  28   8.130   3.695  -4.163
  207    H    VAL  29           H        VAL  29   5.723   6.709  -0.335
  208    HA   VAL  29           HA       VAL  29   8.043   6.324   1.430
  209    HB   VAL  29           HB       VAL  29   6.369   6.061   3.180
  210   1HG1  VAL  29          2HG1      VAL  29   7.083   8.348   2.288
  211   2HG1  VAL  29          3HG1      VAL  29   5.511   8.423   1.471
  212   3HG1  VAL  29          1HG1      VAL  29   5.596   8.299   3.242
  213   1HG2  VAL  29          2HG2      VAL  29   4.532   4.915   1.946
  214   2HG2  VAL  29          3HG2      VAL  29   3.982   6.331   2.858
  215   3HG2  VAL  29          1HG2      VAL  29   4.172   6.443   1.109
  216    H    ASN  30           H        ASN  30   7.710   4.241   3.004
  217    HA   ASN  30           HA       ASN  30   7.287   1.884   1.219
  218   1HB   ASN  30          1HB       ASN  30   9.504   2.465   3.178
  219   2HB   ASN  30          2HB       ASN  30   9.063   0.809   2.796
  220   1HD2  ASN  30          2HD2      ASN  30  10.068   1.169  -0.700
  221   2HD2  ASN  30          1HD2      ASN  30   8.666   0.534   0.166
  222    H    THR  31           H        THR  31   6.941  -0.193   2.335
  223    HA   THR  31           HA       THR  31   6.218  -0.412   5.028
  224    HB   THR  31           HB       THR  31   4.219   0.823   4.403
  225    HG1  THR  31           HG1      THR  31   3.681  -0.469   5.931
  226   1HG2  THR  31          3HG2      THR  31   4.072   0.056   1.969
  227   2HG2  THR  31          1HG2      THR  31   3.350  -1.445   2.618
  228   3HG2  THR  31          2HG2      THR  31   2.565   0.110   2.892
  229    H    TRP  32           H        TRP  32   5.145  -2.724   5.262
  230    HA   TRP  32           HA       TRP  32   6.383  -4.604   3.313
  231   1HB   TRP  32          1HB       TRP  32   6.401  -4.837   6.344
  232   2HB   TRP  32          2HB       TRP  32   6.751  -6.167   5.250
  233    HD1  TRP  32           HD1      TRP  32   8.189  -2.852   6.410
  234    HE1  TRP  32           HE1      TRP  32  10.639  -2.669   5.789
  235    HE3  TRP  32           HE3      TRP  32   8.668  -7.252   3.842
  236    HZ2  TRP  32           HZ2      TRP  32  12.618  -4.271   4.322
  237    HZ3  TRP  32           HZ3      TRP  32  10.826  -7.915   2.872
  238    HH2  TRP  32           HH2      TRP  32  12.806  -6.434   3.035
  239    H    ASN  33           H        ASN  33   5.123  -6.382   2.750
  240    HA   ASN  33           HA       ASN  33   2.321  -6.356   2.921
  241   1HB   ASN  33          1HB       ASN  33   4.169  -8.769   2.751
  242   2HB   ASN  33          2HB       ASN  33   2.425  -8.847   2.557
  243   1HD2  ASN  33          2HD2      ASN  33   3.864  -8.819  -0.831
  244   2HD2  ASN  33          1HD2      ASN  33   3.846  -9.892   0.563
  245    H    SER  34           H        SER  34   4.668  -7.590   5.239
  246    HA   SER  34           HA       SER  34   3.048  -9.203   6.864
  247   1HB   SER  34          1HB       SER  34   5.606  -8.961   6.792
  248   2HB   SER  34          2HB       SER  34   5.398  -7.535   7.830
  249    HG   SER  34           HG       SER  34   4.158  -9.022   9.219
  250    H    TYR  35           H        TYR  35   2.737  -5.815   6.453
  251    HA   TYR  35           HA       TYR  35   1.365  -5.513   9.094
  252   1HB   TYR  35          1HB       TYR  35   2.496  -3.392   7.230
  253   2HB   TYR  35          2HB       TYR  35   1.849  -3.134   8.833
  254    HD1  TYR  35           HD2      TYR  35   3.406  -5.549  10.189
  255    HD2  TYR  35           HD1      TYR  35   4.542  -2.264   7.622
  256    HE1  TYR  35           HE2      TYR  35   5.683  -5.585  11.142
  257    HE2  TYR  35           HE1      TYR  35   6.806  -2.274   8.598
  258    HH   TYR  35           HH       TYR  35   8.246  -3.307  10.138
  259    H    LEU  36           H        LEU  36   0.828  -5.870   5.699
  260    HA   LEU  36           HA       LEU  36  -1.358  -3.880   5.678
  261   1HB   LEU  36          1HB       LEU  36  -0.391  -5.740   3.434
  262   2HB   LEU  36          2HB       LEU  36  -1.447  -4.343   3.254
  263    HG   LEU  36           HG       LEU  36   1.524  -4.340   3.879
  264   1HD1  LEU  36          1HD1      LEU  36   0.913  -4.692   1.521
  265   2HD1  LEU  36          2HD1      LEU  36  -0.103  -3.230   1.552
  266   3HD1  LEU  36          3HD1      LEU  36   1.657  -3.104   1.766
  267   1HD2  LEU  36          2HD2      LEU  36  -0.470  -2.072   3.845
  268   2HD2  LEU  36          3HD2      LEU  36   0.571  -2.552   5.211
  269   3HD2  LEU  36          1HD2      LEU  36   1.296  -1.833   3.779
  270    H    LYS  37           H        LYS  37  -3.439  -4.549   4.525
  271    HA   LYS  37           HA       LYS  37  -3.999  -7.418   4.770
  272   1HB   LYS  37          1HB       LYS  37  -6.241  -6.936   5.647
  273   2HB   LYS  37          2HB       LYS  37  -4.918  -6.817   6.802
  274   1HG   LYS  37          1HG       LYS  37  -6.189  -4.431   5.447
  275   2HG   LYS  37          2HG       LYS  37  -6.844  -5.127   6.896
  276   1HD   LYS  37          1HD       LYS  37  -4.163  -3.699   6.658
  277   2HD   LYS  37          2HD       LYS  37  -5.591  -3.233   7.553
  278   1HE   LYS  37          1HE       LYS  37  -4.387  -4.042   9.304
  279   2HE   LYS  37          2HE       LYS  37  -5.226  -5.513   8.842
  280   1HZ   LYS  37          1HZ       LYS  37  -3.166  -6.099   7.544
  281   2HZ   LYS  37          2HZ       LYS  37  -2.425  -4.776   8.166
  282   3HZ   LYS  37          3HZ       LYS  37  -2.923  -5.973   9.159
  283    H    VAL  38           H        VAL  38  -5.300  -8.155   3.138
  284    HA   VAL  38           HA       VAL  38  -6.041  -6.227   1.007
  285    HB   VAL  38           HB       VAL  38  -5.394  -9.194   0.939
  286   1HG1  VAL  38          3HG1      VAL  38  -6.306  -7.364  -1.303
  287   2HG1  VAL  38          1HG1      VAL  38  -5.574  -8.961  -1.557
  288   3HG1  VAL  38          2HG1      VAL  38  -7.111  -8.810  -0.696
  289   1HG2  VAL  38          1HG2      VAL  38  -3.778  -6.903  -0.171
  290   2HG2  VAL  38          2HG2      VAL  38  -3.336  -8.013   1.135
  291   3HG2  VAL  38          3HG2      VAL  38  -3.510  -8.619  -0.513
  292    H    LEU  39           H        LEU  39  -8.259  -6.141   0.612
  293    HA   LEU  39           HA       LEU  39 -10.025  -8.144   1.865
  294   1HB   LEU  39          1HB       LEU  39 -10.499  -5.133   1.650
  295   2HB   LEU  39          2HB       LEU  39 -11.688  -6.331   2.120
  296    HG   LEU  39           HG       LEU  39  -9.854  -6.942   3.985
  297   1HD1  LEU  39          2HD1      LEU  39  -8.200  -5.196   3.248
  298   2HD1  LEU  39          3HD1      LEU  39  -9.434  -3.953   3.537
  299   3HD1  LEU  39          1HD1      LEU  39  -8.802  -4.902   4.890
  300   1HD2  LEU  39          3HD2      LEU  39 -12.188  -6.294   4.426
  301   2HD2  LEU  39          1HD2      LEU  39 -11.088  -5.464   5.539
  302   3HD2  LEU  39          2HD2      LEU  39 -11.772  -4.582   4.171
  303    H    ASP  40           H        ASP  40 -12.303  -7.691   0.602
  304    HA   ASP  40           HA       ASP  40 -11.720  -8.164  -2.178
  305   1HB   ASP  40          1HB       ASP  40 -13.411  -9.513  -0.974
  306   2HB   ASP  40          2HB       ASP  40 -14.401  -8.058  -0.770
  307    H    GLY  41           H        GLY  41 -13.603  -6.962  -3.644
  308   1HA   GLY  41          1HA       GLY  41 -14.047  -4.994  -4.771
  309   2HA   GLY  41          2HA       GLY  41 -14.117  -4.192  -3.187
  310    H    ASN  42           H        ASN  42 -11.337  -5.943  -4.154
  311    HA   ASN  42           HA       ASN  42  -9.163  -5.590  -4.424
  312   1HB   ASN  42          1HB       ASN  42  -8.369  -4.060  -6.030
  313   2HB   ASN  42          2HB       ASN  42  -9.924  -4.638  -6.619
  314   1HD2  ASN  42          2HD2      ASN  42 -10.950  -1.271  -6.959
  315   2HD2  ASN  42          1HD2      ASN  42 -11.261  -2.945  -7.436
  316    H    ARG  43           H        ARG  43 -10.702  -4.094  -2.144
  317    HA   ARG  43           HA       ARG  43  -9.099  -1.759  -1.680
  318   1HB   ARG  43          1HB       ARG  43 -11.442  -2.211  -0.926
  319   2HB   ARG  43          2HB       ARG  43 -10.857  -3.372   0.248
  320   1HG   ARG  43          1HG       ARG  43  -9.994  -1.781   1.660
  321   2HG   ARG  43          2HG       ARG  43  -9.581  -0.652   0.369
  322   1HD   ARG  43          1HD       ARG  43 -12.439  -1.219   1.254
  323   2HD   ARG  43          2HD       ARG  43 -11.481   0.129   1.829
  324    HE   ARG  43           HE       ARG  43 -11.308   1.019  -0.392
  325   1HH1  ARG  43          2HH2      ARG  43 -13.748  -1.503  -0.086
  326   2HH1  ARG  43          1HH2      ARG  43 -14.478  -1.225  -1.627
  327   1HH2  ARG  43          2HH1      ARG  43 -12.151   1.377  -2.426
  328   2HH2  ARG  43          1HH1      ARG  43 -13.547   0.531  -3.008
  329    H    ILE  44           H        ILE  44  -7.146  -1.551  -0.635
  330    HA   ILE  44           HA       ILE  44  -6.144  -3.910   0.913
  331    HB   ILE  44           HB       ILE  44  -4.352  -1.879  -0.508
  332   1HG1  ILE  44          1HG1      ILE  44  -5.592  -2.806  -2.374
  333   2HG1  ILE  44          2HG1      ILE  44  -3.970  -3.413  -2.367
  334   1HG2  ILE  44          3HG2      ILE  44  -4.063  -4.761   0.509
  335   2HG2  ILE  44          1HG2      ILE  44  -2.789  -3.929  -0.385
  336   3HG2  ILE  44          2HG2      ILE  44  -3.310  -3.329   1.200
  337   1HD1  ILE  44          3HD1      ILE  44  -6.431  -4.993  -1.497
  338   2HD1  ILE  44          1HD1      ILE  44  -5.607  -5.112  -3.048
  339   3HD1  ILE  44          2HD1      ILE  44  -4.777  -5.609  -1.567
  340    H    VAL  45           H        VAL  45  -4.764  -3.041   2.819
  341    HA   VAL  45           HA       VAL  45  -5.206  -0.186   3.420
  342    HB   VAL  45           HB       VAL  45  -5.989  -2.368   5.333
  343   1HG1  VAL  45          2HG1      VAL  45  -5.272  -0.317   6.488
  344   2HG1  VAL  45          3HG1      VAL  45  -6.403   0.639   5.503
  345   3HG1  VAL  45          1HG1      VAL  45  -7.008  -0.551   6.677
  346   1HG2  VAL  45          1HG2      VAL  45  -7.712  -2.348   3.593
  347   2HG2  VAL  45          2HG2      VAL  45  -8.352  -1.693   5.087
  348   3HG2  VAL  45          3HG2      VAL  45  -7.897  -0.596   3.772
  349    H    VAL  46           H        VAL  46  -3.702   0.651   4.668
  350    HA   VAL  46           HA       VAL  46  -1.300  -0.907   5.390
  351    HB   VAL  46           HB       VAL  46  -1.626   1.901   4.284
  352   1HG1  VAL  46          2HG1      VAL  46   0.921   0.330   4.812
  353   2HG1  VAL  46          3HG1      VAL  46   0.825   1.914   4.008
  354   3HG1  VAL  46          1HG1      VAL  46   0.352   1.761   5.697
  355   1HG2  VAL  46          1HG2      VAL  46  -2.067   0.042   2.548
  356   2HG2  VAL  46          2HG2      VAL  46  -0.959   1.333   2.183
  357   3HG2  VAL  46          3HG2      VAL  46  -0.314  -0.247   2.641
  358    HA   PRO  47           HA       PRO  47  -2.395   1.215   9.296
  359   1HB   PRO  47          1HB       PRO  47   0.012   0.224  10.559
  360   2HB   PRO  47          2HB       PRO  47  -1.649  -0.276  10.857
  361   1HG   PRO  47          1HG       PRO  47   0.295  -1.856   9.639
  362   2HG   PRO  47          2HG       PRO  47  -1.469  -2.099   9.487
  363   1HD   PRO  47          1HD       PRO  47   0.431  -0.821   7.541
  364   2HD   PRO  47          2HD       PRO  47  -1.027  -1.820   7.243
  365    H    VAL  48           H        VAL  48  -2.037   3.377   9.069
  366    HA   VAL  48           HA       VAL  48   0.715   4.340   8.573
  367    HB   VAL  48           HB       VAL  48  -0.849   5.494   7.138
  368   1HG1  VAL  48          2HG1      VAL  48  -2.530   5.934   9.516
  369   2HG1  VAL  48          3HG1      VAL  48  -2.752   6.745   7.949
  370   3HG1  VAL  48          1HG1      VAL  48  -2.930   5.002   8.053
  371   1HG2  VAL  48          3HG2      VAL  48   0.903   6.781   8.609
  372   2HG2  VAL  48          1HG2      VAL  48  -0.329   7.716   7.758
  373   3HG2  VAL  48          2HG2      VAL  48  -0.514   7.390   9.485
  374    H    GLY  49           H        GLY  49   1.881   4.448  10.365
  375   1HA   GLY  49          1HA       GLY  49   0.621   5.350  12.928
  376   2HA   GLY  49          2HA       GLY  49   2.038   4.292  12.794
  377    H    GLY  50           H        GLY  50   3.191   5.980  10.467
  378   1HA   GLY  50          1HA       GLY  50   3.806   8.517  11.760
  379   2HA   GLY  50          2HA       GLY  50   5.073   7.285  11.648
  380    H    MET  51           H        MET  51   2.415   7.958   9.313
  381    HA   MET  51           HA       MET  51   4.417   8.767   7.287
  382   1HB   MET  51          1HB       MET  51   1.725   7.511   6.713
  383   2HB   MET  51          2HB       MET  51   2.980   7.967   5.583
  384   1HG   MET  51          1HG       MET  51   4.434   6.321   6.174
  385   2HG   MET  51          2HG       MET  51   3.628   5.963   7.699
  386   1HE   MET  51          1HE       MET  51   4.628   3.722   6.096
  387   2HE   MET  51          2HE       MET  51   3.602   3.011   4.825
  388   3HE   MET  51          3HE       MET  51   4.488   4.523   4.531
  389    H    HIS  52           H        HIS  52   4.367  10.837   8.170
  390    HA   HIS  52           HA       HIS  52   2.031  12.424   8.843
  391   1HB   HIS  52          1HB       HIS  52   4.970  13.233   8.544
  392   2HB   HIS  52          2HB       HIS  52   3.717  14.051   9.482
  393    HD1  HIS  52           HD1      HIS  52   5.996  11.028   9.474
  394    HD2  HIS  52           HD2      HIS  52   2.974  12.783  11.842
  395    HE1  HIS  52           HE1      HIS  52   6.086   9.853  11.765
  396    H    LYS  53           H        LYS  53   4.709  12.895   6.392
  397    HA   LYS  53           HA       LYS  53   3.343  15.054   5.078
  398   1HB   LYS  53          1HB       LYS  53   5.826  14.415   4.772
  399   2HB   LYS  53          2HB       LYS  53   5.249  13.128   3.694
  400   1HG   LYS  53          1HG       LYS  53   3.980  14.952   2.404
  401   2HG   LYS  53          2HG       LYS  53   4.785  16.137   3.430
  402   1HD   LYS  53          1HD       LYS  53   6.987  15.295   2.595
  403   2HD   LYS  53          2HD       LYS  53   6.143  14.196   1.496
  404   1HE   LYS  53          1HE       LYS  53   5.755  17.232   1.556
  405   2HE   LYS  53          2HE       LYS  53   6.893  16.444   0.488
  406   1HZ   LYS  53          1HZ       LYS  53   3.954  15.962   0.361
  407   2HZ   LYS  53          2HZ       LYS  53   4.818  17.036  -0.503
  408   3HZ   LYS  53          3HZ       LYS  53   5.127  15.488  -0.733
  409    H    THR  54           H        THR  54   3.295  11.532   4.698
  410    HA   THR  54           HA       THR  54   1.573  11.354   2.457
  411    HB   THR  54           HB       THR  54   1.889   9.549   4.861
  412    HG1  THR  54           HG1      THR  54   3.886   9.876   4.092
  413   1HG2  THR  54          3HG2      THR  54   0.920   8.960   2.069
  414   2HG2  THR  54          1HG2      THR  54   1.491   7.699   3.171
  415   3HG2  THR  54          2HG2      THR  54   0.072   8.689   3.577
  416    H    GLU  55           H        GLU  55   0.725  11.628   5.983
  417    HA   GLU  55           HA       GLU  55  -2.078  11.410   5.698
  418   1HB   GLU  55          1HB       GLU  55  -0.615  11.291   7.745
  419   2HB   GLU  55          2HB       GLU  55  -0.437  13.029   7.699
  420   1HG   GLU  55          1HG       GLU  55  -2.659  13.405   8.385
  421   2HG   GLU  55          2HG       GLU  55  -3.159  11.752   7.987
  422    H    ALA  56           H        ALA  56   0.053  14.294   5.613
  423    HA   ALA  56           HA       ALA  56  -2.058  16.123   4.890
  424   1HB   ALA  56          3HB       ALA  56   0.115  16.876   5.792
  425   2HB   ALA  56          1HB       ALA  56   0.931  16.317   4.312
  426   3HB   ALA  56          2HB       ALA  56  -0.244  17.643   4.231
  427    H    ASN  57           H        ASN  57   0.148  14.154   2.921
  428    HA   ASN  57           HA       ASN  57  -0.450  15.289   0.380
  429   1HB   ASN  57          1HB       ASN  57   0.438  12.500   1.167
  430   2HB   ASN  57          2HB       ASN  57   0.329  12.983  -0.482
  431   1HD2  ASN  57          2HD2      ASN  57   3.848  13.311   0.890
  432   2HD2  ASN  57          1HD2      ASN  57   2.656  12.047   1.045
  433    H    VAL  58           H        VAL  58  -1.937  12.466   2.103
  434    HA   VAL  58           HA       VAL  58  -3.849  11.978   0.020
  435    HB   VAL  58           HB       VAL  58  -3.937  11.103   2.929
  436   1HG1  VAL  58          2HG1      VAL  58  -5.539  10.249   0.479
  437   2HG1  VAL  58          3HG1      VAL  58  -5.557   9.407   2.043
  438   3HG1  VAL  58          1HG1      VAL  58  -6.185  11.068   1.917
  439   1HG2  VAL  58          1HG2      VAL  58  -3.029   9.762   0.335
  440   2HG2  VAL  58          2HG2      VAL  58  -2.064  10.052   1.798
  441   3HG2  VAL  58          3HG2      VAL  58  -3.353   8.859   1.826
  442    H    ALA  59           H        ALA  59  -3.981  13.960   3.058
  443    HA   ALA  59           HA       ALA  59  -6.638  14.888   2.644
  444   1HB   ALA  59          2HB       ALA  59  -5.342  15.281   4.722
  445   2HB   ALA  59          3HB       ALA  59  -4.296  16.420   3.843
  446   3HB   ALA  59          1HB       ALA  59  -6.017  16.782   4.050
  447    H    ARG  60           H        ARG  60  -3.661  15.733   0.918
  448    HA   ARG  60           HA       ARG  60  -4.935  17.944  -0.451
  449   1HB   ARG  60          1HB       ARG  60  -2.194  16.744  -0.470
  450   2HB   ARG  60          2HB       ARG  60  -2.638  17.628  -1.894
  451   1HG   ARG  60          1HG       ARG  60  -3.128  18.867   0.853
  452   2HG   ARG  60          2HG       ARG  60  -1.473  18.805   0.228
  453   1HD   ARG  60          1HD       ARG  60  -3.055  20.906  -0.324
  454   2HD   ARG  60          2HD       ARG  60  -1.856  20.294  -1.460
  455    HE   ARG  60           HE       ARG  60  -4.556  19.157  -1.668
  456   1HH1  ARG  60          2HH2      ARG  60  -2.247  21.411  -3.190
  457   2HH1  ARG  60          1HH2      ARG  60  -2.677  20.950  -4.785
  458   1HH2  ARG  60          2HH1      ARG  60  -5.031  18.478  -3.706
  459   2HH2  ARG  60          1HH1      ARG  60  -4.346  19.237  -5.097
  460    H    ASP  61           H        ASP  61  -4.043  14.623  -1.375
  461    HA   ASP  61           HA       ASP  61  -5.920  14.831  -3.653
  462   1HB   ASP  61          1HB       ASP  61  -3.664  15.682  -4.411
  463   2HB   ASP  61          2HB       ASP  61  -3.003  14.083  -4.075
  464    H    GLU  62           H        GLU  62  -6.651  12.851  -4.338
  465    HA   GLU  62           HA       GLU  62  -6.375  10.617  -2.417
  466   1HB   GLU  62          1HB       GLU  62  -8.225   9.580  -3.700
  467   2HB   GLU  62          2HB       GLU  62  -8.611  11.164  -3.075
  468   1HG   GLU  62          1HG       GLU  62  -9.581  11.272  -5.141
  469   2HG   GLU  62          2HG       GLU  62  -8.060  12.081  -5.459
  470    H    ARG  63           H        ARG  63  -5.054  11.674  -5.405
  471    HA   ARG  63           HA       ARG  63  -4.676   9.277  -6.771
  472   1HB   ARG  63          1HB       ARG  63  -3.158  11.889  -6.598
  473   2HB   ARG  63          2HB       ARG  63  -2.577  10.666  -7.694
  474   1HG   ARG  63          1HG       ARG  63  -5.349  11.946  -7.853
  475   2HG   ARG  63          2HG       ARG  63  -3.901  12.551  -8.664
  476   1HD   ARG  63          1HD       ARG  63  -4.734  11.270 -10.316
  477   2HD   ARG  63          2HD       ARG  63  -3.643  10.110  -9.536
  478    HE   ARG  63           HE       ARG  63  -6.549  10.336  -8.812
  479   1HH1  ARG  63          2HH2      ARG  63  -3.842   8.162  -9.415
  480   2HH1  ARG  63          1HH2      ARG  63  -4.619   6.878  -8.517
  481   1HH2  ARG  63          2HH1      ARG  63  -7.514   8.719  -7.923
  482   2HH2  ARG  63          1HH1      ARG  63  -6.928   7.106  -7.851
  483    H    VAL  64           H        VAL  64  -3.557   7.372  -6.206
  484    HA   VAL  64           HA       VAL  64  -0.802   7.909  -5.301
  485    HB   VAL  64           HB       VAL  64  -0.736   6.289  -3.625
  486   1HG1  VAL  64          2HG1      VAL  64  -1.663   8.583  -3.000
  487   2HG1  VAL  64          3HG1      VAL  64  -3.261   7.861  -2.985
  488   3HG1  VAL  64          1HG1      VAL  64  -1.993   7.280  -1.868
  489   1HG2  VAL  64          1HG2      VAL  64  -2.330   4.593  -4.465
  490   2HG2  VAL  64          2HG2      VAL  64  -2.708   5.021  -2.801
  491   3HG2  VAL  64          3HG2      VAL  64  -3.689   5.687  -4.126
  492    H    LEU  65           H        LEU  65   0.664   6.304  -5.564
  493    HA   LEU  65           HA       LEU  65   0.110   4.227  -7.636
  494   1HB   LEU  65          1HB       LEU  65   1.427   6.056  -8.515
  495   2HB   LEU  65          2HB       LEU  65   2.527   6.003  -7.159
  496    HG   LEU  65           HG       LEU  65   2.295   3.617  -8.999
  497   1HD1  LEU  65          3HD1      LEU  65   3.944   6.156  -9.404
  498   2HD1  LEU  65          1HD1      LEU  65   4.174   4.660 -10.322
  499   3HD1  LEU  65          2HD1      LEU  65   2.651   5.548 -10.459
  500   1HD2  LEU  65          1HD2      LEU  65   4.591   4.781  -7.333
  501   2HD2  LEU  65          2HD2      LEU  65   3.677   3.314  -6.940
  502   3HD2  LEU  65          3HD2      LEU  65   4.703   3.360  -8.373
  503    H    MET  66           H        MET  66   1.101   2.134  -6.994
  504    HA   MET  66           HA       MET  66   2.259   2.025  -4.264
  505   1HB   MET  66          1HB       MET  66  -0.190   1.760  -4.044
  506   2HB   MET  66          2HB       MET  66  -0.161   0.438  -5.202
  507   1HG   MET  66          1HG       MET  66   1.227  -0.883  -3.565
  508   2HG   MET  66          2HG       MET  66   1.054   0.458  -2.421
  509   1HE   MET  66          3HE       MET  66  -0.340  -0.599  -0.400
  510   2HE   MET  66          1HE       MET  66  -1.701  -1.703  -0.622
  511   3HE   MET  66          2HE       MET  66  -0.071  -2.231  -1.074
  512    H    THR  67           H        THR  67   4.088   0.727  -4.385
  513    HA   THR  67           HA       THR  67   4.313  -1.092  -6.768
  514    HB   THR  67           HB       THR  67   6.638  -0.767  -6.776
  515    HG1  THR  67           HG1      THR  67   6.441  -0.487  -4.211
  516   1HG2  THR  67          1HG2      THR  67   5.553   1.350  -7.588
  517   2HG2  THR  67          2HG2      THR  67   5.730   2.035  -5.949
  518   3HG2  THR  67          3HG2      THR  67   7.162   1.613  -6.882
  519    H    LEU  68           H        LEU  68   4.443  -3.297  -6.136
  520    HA   LEU  68           HA       LEU  68   5.084  -3.842  -3.268
  521   1HB   LEU  68          1HB       LEU  68   3.565  -5.610  -3.098
  522   2HB   LEU  68          2HB       LEU  68   2.663  -4.240  -3.711
  523    HG   LEU  68           HG       LEU  68   3.546  -5.549  -6.069
  524   1HD1  LEU  68          2HD1      LEU  68   2.726  -7.639  -4.017
  525   2HD1  LEU  68          3HD1      LEU  68   2.793  -7.906  -5.765
  526   3HD1  LEU  68          1HD1      LEU  68   4.276  -7.537  -4.875
  527   1HD2  LEU  68          3HD2      LEU  68   1.398  -4.520  -5.643
  528   2HD2  LEU  68          1HD2      LEU  68   1.243  -6.152  -6.336
  529   3HD2  LEU  68          2HD2      LEU  68   0.933  -5.887  -4.604
  530    H    GLY  69           H        GLY  69   6.110  -5.997  -2.961
  531   1HA   GLY  69          1HA       GLY  69   6.739  -7.703  -5.105
  532   2HA   GLY  69          2HA       GLY  69   8.112  -6.605  -4.821
  533    H    SER  70           H        SER  70   8.795  -9.084  -4.378
  534    HA   SER  70           HA       SER  70   9.236  -9.133  -1.501
  535   1HB   SER  70          1HB       SER  70   7.166 -10.544  -1.730
  536   2HB   SER  70          2HB       SER  70   8.029 -11.573  -2.894
  537    HG   SER  70           HG       SER  70   8.095 -11.541  -0.182
  538    H    ARG  71           H        ARG  71  11.083 -10.465  -1.061
  539    HA   ARG  71           HA       ARG  71  12.854 -10.718  -3.442
  540   1HB   ARG  71          1HB       ARG  71  13.617 -10.401  -0.527
  541   2HB   ARG  71          2HB       ARG  71  14.719 -10.567  -1.905
  542   1HG   ARG  71          1HG       ARG  71  13.199  -8.568  -2.889
  543   2HG   ARG  71          2HG       ARG  71  12.912  -8.250  -1.181
  544   1HD   ARG  71          1HD       ARG  71  15.214  -7.795  -0.783
  545   2HD   ARG  71          2HD       ARG  71  15.724  -8.532  -2.310
  546    HE   ARG  71           HE       ARG  71  14.724  -5.849  -1.868
  547   1HH1  ARG  71          2HH2      ARG  71  15.197  -8.318  -4.446
  548   2HH1  ARG  71          1HH2      ARG  71  15.060  -7.147  -5.726
  549   1HH2  ARG  71          2HH1      ARG  71  14.452  -4.365  -3.633
  550   2HH2  ARG  71          1HH1      ARG  71  14.474  -4.945  -5.247
  551    H    LYS  72           H        LYS  72  10.941 -12.694  -1.624
  552    HA   LYS  72           HA       LYS  72  12.680 -15.053  -1.646
  553   1HB   LYS  72          1HB       LYS  72   9.738 -14.555  -1.048
  554   2HB   LYS  72          2HB       LYS  72  10.399 -16.189  -1.133
  555   1HG   LYS  72          1HG       LYS  72  11.885 -15.872   0.670
  556   2HG   LYS  72          2HG       LYS  72  11.715 -14.124   0.664
  557   1HD   LYS  72          1HD       LYS  72   9.465 -16.061   1.374
  558   2HD   LYS  72          2HD       LYS  72  10.526 -15.296   2.559
  559   1HE   LYS  72          1HE       LYS  72   8.658 -13.827   0.643
  560   2HE   LYS  72          2HE       LYS  72   8.368 -14.101   2.362
  561   1HZ   LYS  72          3HZ       LYS  72  10.679 -12.542   1.366
  562   2HZ   LYS  72          1HZ       LYS  72   9.271 -11.877   1.880
  563   3HZ   LYS  72          2HZ       LYS  72  10.167 -12.658   2.922
  564    H    VAL  73           H        VAL  73  11.174 -13.345  -4.259
  565    HA   VAL  73           HA       VAL  73  11.414 -15.804  -5.834
  566    HB   VAL  73           HB       VAL  73   9.151 -13.792  -6.103
  567   1HG1  VAL  73          2HG1      VAL  73   9.885 -14.708  -8.281
  568   2HG1  VAL  73          3HG1      VAL  73   9.716 -16.362  -7.649
  569   3HG1  VAL  73          1HG1      VAL  73   8.290 -15.322  -7.848
  570   1HG2  VAL  73          3HG2      VAL  73   9.040 -16.679  -5.144
  571   2HG2  VAL  73          1HG2      VAL  73   8.633 -15.229  -4.201
  572   3HG2  VAL  73          2HG2      VAL  73   7.624 -15.693  -5.569
  573    H    ALA  74           H        ALA  74  12.559 -15.294  -7.728
  574    HA   ALA  74           HA       ALA  74  13.976 -12.725  -7.654
  575   1HB   ALA  74          2HB       ALA  74  15.237 -14.806  -8.107
  576   2HB   ALA  74          3HB       ALA  74  14.219 -15.115  -9.538
  577   3HB   ALA  74          1HB       ALA  74  15.294 -13.706  -9.501
  578    H    GLY  75           H        GLY  75  13.482 -11.003  -8.954
  579   1HA   GLY  75          1HA       GLY  75  11.657 -11.343 -11.259
  580   2HA   GLY  75          2HA       GLY  75  11.591  -9.961 -10.148
  581    H    ARG  76           H        ARG  76  12.289  -8.270 -11.262
  582    HA   ARG  76           HA       ARG  76  14.663  -8.579 -13.012
  583   1HB   ARG  76          1HB       ARG  76  12.530  -6.402 -12.863
  584   2HB   ARG  76          2HB       ARG  76  13.995  -6.316 -13.853
  585   1HG   ARG  76          1HG       ARG  76  13.347  -8.376 -15.058
  586   2HG   ARG  76          2HG       ARG  76  11.915  -8.553 -14.039
  587   1HD   ARG  76          1HD       ARG  76  11.303  -7.658 -16.205
  588   2HD   ARG  76          2HD       ARG  76  10.948  -6.525 -14.917
  589    HE   ARG  76           HE       ARG  76  13.256  -6.389 -16.805
  590   1HH1  ARG  76          2HH2      ARG  76  10.882  -4.643 -14.786
  591   2HH1  ARG  76          1HH2      ARG  76  11.475  -3.080 -15.165
  592   1HH2  ARG  76          2HH1      ARG  76  14.022  -4.287 -17.370
  593   2HH2  ARG  76          1HH1      ARG  76  13.286  -2.875 -16.710
  594    H    ASN  77           H        ASN  77  13.404  -6.385 -10.381
  595    HA   ASN  77           HA       ASN  77  16.091  -5.194 -10.295
  596   1HB   ASN  77          1HB       ASN  77  15.287  -3.785  -8.589
  597   2HB   ASN  77          2HB       ASN  77  14.016  -3.880  -9.789
  598   1HD2  ASN  77          2HD2      ASN  77  11.915  -5.859  -7.420
  599   2HD2  ASN  77          1HD2      ASN  77  12.281  -5.980  -9.089
  600    H    GLY  78           H        GLY  78  17.531  -6.819  -9.800
  601   1HA   GLY  78          1HA       GLY  78  18.781  -8.238  -8.476
  602   2HA   GLY  78          2HA       GLY  78  18.073  -7.460  -7.042
  603    HA   PRO  79           HA       PRO  79  16.054 -11.655  -7.391
  604   1HB   PRO  79          1HB       PRO  79  16.671 -12.620  -4.892
  605   2HB   PRO  79          2HB       PRO  79  17.784 -12.799  -6.284
  606   1HG   PRO  79          1HG       PRO  79  17.878 -10.727  -4.074
  607   2HG   PRO  79          2HG       PRO  79  19.228 -11.678  -4.763
  608   1HD   PRO  79          1HD       PRO  79  18.653  -9.092  -5.528
  609   2HD   PRO  79          2HD       PRO  79  19.363 -10.291  -6.652
  610    H    GLY  80           H        GLY  80  14.312 -10.126  -7.507
  611   1HA   GLY  80          1HA       GLY  80  12.509 -10.496  -5.384
  612   2HA   GLY  80          2HA       GLY  80  13.072  -8.814  -5.360
  613    H    THR  81           H        THR  81  10.602 -10.684  -6.438
  614    HA   THR  81           HA       THR  81  10.284  -8.961  -8.888
  615    HB   THR  81           HB       THR  81  10.224 -11.519  -9.125
  616    HG1  THR  81           HG1      THR  81   9.346  -9.795 -10.526
  617   1HG2  THR  81          2HG2      THR  81   8.701 -11.920  -7.158
  618   2HG2  THR  81          3HG2      THR  81   7.381 -11.224  -8.119
  619   3HG2  THR  81          1HG2      THR  81   8.204 -12.689  -8.685
  620    H    GLY  82           H        GLY  82   8.024  -8.227  -9.325
  621   1HA   GLY  82          1HA       GLY  82   6.119  -7.980  -7.161
  622   2HA   GLY  82          2HA       GLY  82   7.227  -6.603  -7.285
  623    H    PHE  83           H        PHE  83   5.238  -5.375  -7.668
  624    HA   PHE  83           HA       PHE  83   4.365  -5.370 -10.486
  625   1HB   PHE  83          1HB       PHE  83   2.481  -5.661  -8.112
  626   2HB   PHE  83          2HB       PHE  83   1.967  -5.133  -9.688
  627    HD1  PHE  83           HD2      PHE  83   3.547  -8.068  -7.938
  628    HD2  PHE  83           HD1      PHE  83   1.237  -6.660 -11.290
  629    HE1  PHE  83           HE2      PHE  83   3.163 -10.402  -8.649
  630    HE2  PHE  83           HE1      PHE  83   0.887  -8.996 -12.033
  631    HZ   PHE  83           HZ       PHE  83   1.849 -10.865 -10.713
  632    H    LEU  84           H        LEU  84   3.299  -3.478 -11.030
  633    HA   LEU  84           HA       LEU  84   3.858  -1.007  -9.435
  634   1HB   LEU  84          1HB       LEU  84   5.038  -0.995 -11.475
  635   2HB   LEU  84          2HB       LEU  84   3.570  -1.415 -12.382
  636    HG   LEU  84           HG       LEU  84   2.506   0.701 -11.765
  637   1HD1  LEU  84          3HD1      LEU  84   5.014   1.249 -10.093
  638   2HD1  LEU  84          1HD1      LEU  84   3.800   2.460 -10.554
  639   3HD1  LEU  84          2HD1      LEU  84   3.343   1.151  -9.484
  640   1HD2  LEU  84          3HD2      LEU  84   4.072   0.580 -13.637
  641   2HD2  LEU  84          1HD2      LEU  84   4.087   2.192 -12.872
  642   3HD2  LEU  84          2HD2      LEU  84   5.417   1.038 -12.549
  643    H    ILE  85           H        ILE  85   1.856  -0.091  -8.662
  644    HA   ILE  85           HA       ILE  85  -0.578  -0.823 -10.151
  645    HB   ILE  85           HB       ILE  85  -0.462  -0.693  -7.114
  646   1HG1  ILE  85          1HG1      ILE  85  -0.151  -3.132  -8.902
  647   2HG1  ILE  85          2HG1      ILE  85   0.928  -2.588  -7.626
  648   1HG2  ILE  85          3HG2      ILE  85  -2.693  -0.348  -8.299
  649   2HG2  ILE  85          1HG2      ILE  85  -2.517  -1.969  -8.961
  650   3HG2  ILE  85          2HG2      ILE  85  -2.660  -1.719  -7.220
  651   1HD1  ILE  85          3HD1      ILE  85  -1.867  -3.734  -7.167
  652   2HD1  ILE  85          1HD1      ILE  85  -0.349  -4.564  -7.012
  653   3HD1  ILE  85          2HD1      ILE  85  -0.712  -3.199  -5.918
  654    H    ARG  86           H        ARG  86  -2.173   0.725 -10.087
  655    HA   ARG  86           HA       ARG  86  -1.517   3.434  -9.009
  656   1HB   ARG  86          1HB       ARG  86  -2.781   2.614 -11.665
  657   2HB   ARG  86          2HB       ARG  86  -2.782   4.273 -11.055
  658   1HG   ARG  86          1HG       ARG  86  -0.431   4.503 -11.253
  659   2HG   ARG  86          2HG       ARG  86  -0.143   2.771 -11.387
  660   1HD   ARG  86          1HD       ARG  86  -1.577   4.412 -13.496
  661   2HD   ARG  86          2HD       ARG  86   0.136   3.995 -13.526
  662    HE   ARG  86           HE       ARG  86  -0.436   1.606 -13.639
  663   1HH1  ARG  86          2HH2      ARG  86  -3.028   3.843 -14.603
  664   2HH1  ARG  86          1HH2      ARG  86  -3.875   2.637 -15.516
  665   1HH2  ARG  86          2HH1      ARG  86  -1.554   0.076 -14.729
  666   2HH2  ARG  86          1HH1      ARG  86  -2.924   0.434 -15.714
  667    H    GLY  87           H        GLY  87  -3.238   4.353  -7.839
  668   1HA   GLY  87          1HA       GLY  87  -5.922   3.268  -7.904
  669   2HA   GLY  87          2HA       GLY  87  -4.962   2.761  -6.502
  670    H    SER  88           H        SER  88  -6.745   3.975  -5.435
  671    HA   SER  88           HA       SER  88  -6.153   6.877  -5.120
  672   1HB   SER  88          1HB       SER  88  -8.742   5.299  -4.745
  673   2HB   SER  88          2HB       SER  88  -8.537   7.039  -4.467
  674    HG   SER  88           HG       SER  88  -8.626   7.416  -6.449
  675    H    ALA  89           H        ALA  89  -5.905   7.527  -2.869
  676    HA   ALA  89           HA       ALA  89  -6.068   5.330  -0.855
  677   1HB   ALA  89          2HB       ALA  89  -4.268   7.770  -0.820
  678   2HB   ALA  89          3HB       ALA  89  -4.426   6.587   0.489
  679   3HB   ALA  89          1HB       ALA  89  -3.766   6.069  -1.062
  680    H    ALA  90           H        ALA  90  -6.789   5.940   1.253
  681    HA   ALA  90           HA       ALA  90  -7.867   8.637   1.717
  682   1HB   ALA  90          3HB       ALA  90  -9.750   7.544   0.543
  683   2HB   ALA  90          1HB       ALA  90  -9.694   6.185   1.692
  684   3HB   ALA  90          2HB       ALA  90 -10.135   7.816   2.249
  685    H    PHE  91           H        PHE  91  -7.215   9.082   3.837
  686    HA   PHE  91           HA       PHE  91  -6.531   6.899   5.673
  687   1HB   PHE  91          1HB       PHE  91  -6.637   9.923   5.916
  688   2HB   PHE  91          2HB       PHE  91  -6.492   8.891   7.323
  689    HD1  PHE  91           HD2      PHE  91  -4.713   8.474   3.972
  690    HD2  PHE  91           HD1      PHE  91  -4.402   9.408   8.188
  691    HE1  PHE  91           HE2      PHE  91  -2.255   8.471   3.813
  692    HE2  PHE  91           HE1      PHE  91  -1.968   9.364   8.007
  693    HZ   PHE  91           HZ       PHE  91  -0.865   8.894   5.820
  694    H    ARG  92           H        ARG  92  -7.928   5.933   7.017
  695    HA   ARG  92           HA       ARG  92 -10.516   7.185   7.733
  696   1HB   ARG  92          1HB       ARG  92  -9.947   4.310   7.022
  697   2HB   ARG  92          2HB       ARG  92 -11.223   4.696   8.152
  698   1HG   ARG  92          1HG       ARG  92 -11.936   4.295   5.749
  699   2HG   ARG  92          2HG       ARG  92 -12.565   5.720   6.579
  700   1HD   ARG  92          1HD       ARG  92 -10.773   7.034   5.525
  701   2HD   ARG  92          2HD       ARG  92 -10.369   5.694   4.483
  702    HE   ARG  92           HE       ARG  92 -12.856   5.964   3.791
  703   1HH1  ARG  92          2HH2      ARG  92 -10.870   8.729   4.958
  704   2HH1  ARG  92          1HH2      ARG  92 -11.802   9.925   4.159
  705   1HH2  ARG  92          2HH1      ARG  92 -14.123   7.614   2.740
  706   2HH2  ARG  92          1HH1      ARG  92 -13.679   9.274   2.859
  707    H    THR  93           H        THR  93 -11.030   7.186   9.874
  708    HA   THR  93           HA       THR  93  -9.313   5.788  11.831
  709    HB   THR  93           HB       THR  93  -9.935   7.752  13.309
  710    HG1  THR  93           HG1      THR  93 -11.561   8.707  12.270
  711   1HG2  THR  93          2HG2      THR  93  -7.694   7.575  12.247
  712   2HG2  THR  93          3HG2      THR  93  -8.302   8.452  10.822
  713   3HG2  THR  93          1HG2      THR  93  -8.234   9.254  12.401
  714    H    ASP  94           H        ASP  94 -11.613   4.717  10.336
  715    HA   ASP  94           HA       ASP  94 -13.520   4.027  12.381
  716   1HB   ASP  94          1HB       ASP  94 -14.470   6.169  11.728
  717   2HB   ASP  94          2HB       ASP  94 -14.157   5.854  10.019
  718    H    GLY  95           H        GLY  95 -15.122   2.543  11.291
  719   1HA   GLY  95          1HA       GLY  95 -15.808   0.959   9.822
  720   2HA   GLY  95          2HA       GLY  95 -14.508   1.422   8.715
  721    HA   PRO  96           HA       PRO  96 -13.574  -2.817  10.550
  722   1HB   PRO  96          1HB       PRO  96 -13.505  -4.216   8.187
  723   2HB   PRO  96          2HB       PRO  96 -14.997  -3.983   9.152
  724   1HG   PRO  96          1HG       PRO  96 -14.059  -2.381   6.752
  725   2HG   PRO  96          2HG       PRO  96 -15.684  -3.078   7.050
  726   1HD   PRO  96          1HD       PRO  96 -15.121  -0.472   7.586
  727   2HD   PRO  96          2HD       PRO  96 -16.198  -1.417   8.659
  728    H    GLU  97           H        GLU  97 -12.453  -0.722   7.980
  729    HA   GLU  97           HA       GLU  97  -9.866  -1.688   7.525
  730   1HB   GLU  97          1HB       GLU  97 -10.628   1.230   7.528
  731   2HB   GLU  97          2HB       GLU  97  -9.400   0.395   6.580
  732   1HG   GLU  97          1HG       GLU  97 -12.432   0.159   6.302
  733   2HG   GLU  97          2HG       GLU  97 -11.301   0.985   5.255
  734    H    PHE  98           H        PHE  98 -11.087   0.879   9.763
  735    HA   PHE  98           HA       PHE  98  -8.583   1.217  11.089
  736   1HB   PHE  98          1HB       PHE  98 -10.397   2.915  11.041
  737   2HB   PHE  98          2HB       PHE  98 -11.282   1.943  12.233
  738    HD1  PHE  98           HD1      PHE  98  -8.062   3.731  11.539
  739    HD2  PHE  98           HD2      PHE  98 -10.596   2.023  14.582
  740    HE1  PHE  98           HE1      PHE  98  -6.551   4.623  13.313
  741    HE2  PHE  98           HE2      PHE  98  -9.068   2.885  16.331
  742    HZ   PHE  98           HZ       PHE  98  -7.007   4.147  15.683
  743    H    GLU  99           H        GLU  99 -11.344  -1.061  11.707
  744    HA   GLU  99           HA       GLU  99 -10.112  -1.972  14.115
  745   1HB   GLU  99          1HB       GLU  99 -12.118  -3.209  12.255
  746   2HB   GLU  99          2HB       GLU  99 -11.388  -4.208  13.502
  747   1HG   GLU  99          1HG       GLU  99 -12.618  -1.514  14.226
  748   2HG   GLU  99          2HG       GLU  99 -13.618  -2.964  14.029
  749    H    ALA 100           H        ALA 100  -9.726  -3.090  10.734
  750    HA   ALA 100           HA       ALA 100  -8.102  -5.312  11.296
  751   1HB   ALA 100          1HB       ALA 100  -9.115  -4.761   9.084
  752   2HB   ALA 100          2HB       ALA 100  -7.912  -3.464   8.885
  753   3HB   ALA 100          3HB       ALA 100  -7.390  -5.167   9.014
  754    H    ILE 101           H        ILE 101  -7.263  -1.853  11.028
  755    HA   ILE 101           HA       ILE 101  -4.472  -2.607  11.819
  756    HB   ILE 101           HB       ILE 101  -3.720  -0.425  11.428
  757   1HG1  ILE 101          1HG1      ILE 101  -5.126   1.224  10.248
  758   2HG1  ILE 101          2HG1      ILE 101  -6.549   0.283  10.729
  759   1HG2  ILE 101          2HG2      ILE 101  -3.848  -2.051   9.571
  760   2HG2  ILE 101          3HG2      ILE 101  -5.458  -1.417   9.128
  761   3HG2  ILE 101          1HG2      ILE 101  -4.029  -0.392   8.987
  762   1HD1  ILE 101          2HD1      ILE 101  -4.712   1.227  12.892
  763   2HD1  ILE 101          3HD1      ILE 101  -5.683   2.447  12.055
  764   3HD1  ILE 101          1HD1      ILE 101  -6.472   1.108  12.892
  765    H    ALA 102           H        ALA 102  -7.264  -1.371  13.544
  766    HA   ALA 102           HA       ALA 102  -5.981   0.110  15.527
  767   1HB   ALA 102          3HB       ALA 102  -8.499  -1.595  15.777
  768   2HB   ALA 102          1HB       ALA 102  -7.941  -0.432  16.993
  769   3HB   ALA 102          2HB       ALA 102  -8.396   0.143  15.395
  770    H    ARG 103           H        ARG 103  -6.647  -3.297  15.479
  771    HA   ARG 103           HA       ARG 103  -5.526  -3.977  17.982
  772   1HB   ARG 103          1HB       ARG 103  -5.489  -6.357  17.151
  773   2HB   ARG 103          2HB       ARG 103  -6.995  -5.480  17.318
  774   1HG   ARG 103          1HG       ARG 103  -6.791  -5.007  14.755
  775   2HG   ARG 103          2HG       ARG 103  -5.564  -6.244  14.754
  776   1HD   ARG 103          1HD       ARG 103  -7.897  -6.964  14.088
  777   2HD   ARG 103          2HD       ARG 103  -7.114  -7.933  15.328
  778    HE   ARG 103           HE       ARG 103  -9.046  -7.722  16.407
  779   1HH1  ARG 103          2HH2      ARG 103  -8.667  -4.370  15.084
  780   2HH1  ARG 103          1HH2      ARG 103  -9.979  -3.811  16.061
  781   1HH2  ARG 103          2HH1      ARG 103 -11.057  -6.876  17.257
  782   2HH2  ARG 103          1HH1      ARG 103 -11.448  -5.248  16.836
  783    H    PHE 104           H        PHE 104  -3.755  -2.723  15.469
  784    HA   PHE 104           HA       PHE 104  -1.243  -4.144  15.996
  785   1HB   PHE 104          1HB       PHE 104  -1.871  -1.468  14.635
  786   2HB   PHE 104          2HB       PHE 104  -0.275  -2.077  14.874
  787    HD1  PHE 104           HD2      PHE 104  -3.351  -3.904  13.494
  788    HD2  PHE 104           HD1      PHE 104   0.728  -2.587  12.917
  789    HE1  PHE 104           HE2      PHE 104  -3.226  -5.195  11.436
  790    HE2  PHE 104           HE1      PHE 104   0.856  -3.916  10.860
  791    HZ   PHE 104           HZ       PHE 104  -1.103  -5.201  10.063
  792    H    LYS 105           H        LYS 105   0.603  -2.215  16.813
  793    HA   LYS 105           HA       LYS 105  -0.656  -0.891  19.153
  794   1HB   LYS 105          1HB       LYS 105   0.319  -3.098  19.704
  795   2HB   LYS 105          2HB       LYS 105   1.917  -2.517  19.201
  796   1HG   LYS 105          1HG       LYS 105   2.093  -1.061  20.985
  797   2HG   LYS 105          2HG       LYS 105   0.339  -0.877  21.162
  798   1HD   LYS 105          1HD       LYS 105   0.233  -3.236  22.064
  799   2HD   LYS 105          2HD       LYS 105   2.002  -3.272  22.031
  800   1HE   LYS 105          1HE       LYS 105   1.243  -2.699  24.278
  801   2HE   LYS 105          2HE       LYS 105   2.078  -1.314  23.557
  802   1HZ   LYS 105          1HZ       LYS 105  -0.864  -1.635  23.701
  803   2HZ   LYS 105          2HZ       LYS 105   0.037  -0.656  24.671
  804   3HZ   LYS 105          3HZ       LYS 105  -0.073  -0.346  23.061
  805    H    TRP 106           H        TRP 106   0.620  -0.062  16.345
  806    HA   TRP 106           HA       TRP 106   1.800   2.398  17.507
  807   1HB   TRP 106          1HB       TRP 106   3.580   2.247  15.717
  808   2HB   TRP 106          2HB       TRP 106   3.720   1.132  17.053
  809    HD1  TRP 106           HD1      TRP 106   3.935  -1.347  16.524
  810    HE1  TRP 106           HE1      TRP 106   4.029  -2.770  14.383
  811    HE3  TRP 106           HE3      TRP 106   2.319   2.137  13.158
  812    HZ2  TRP 106           HZ2      TRP 106   3.452  -2.432  11.562
  813    HZ3  TRP 106           HZ3      TRP 106   2.018   1.565  10.803
  814    HH2  TRP 106           HH2      TRP 106   2.635  -0.709   9.956
  815    H    ALA 107           H        ALA 107  -0.814   1.438  15.897
  816    HA   ALA 107           HA       ALA 107  -0.489   2.931  13.397
  817   1HB   ALA 107          2HB       ALA 107  -1.817   0.819  13.460
  818   2HB   ALA 107          3HB       ALA 107  -2.948   1.591  14.603
  819   3HB   ALA 107          1HB       ALA 107  -2.767   2.229  12.954
  820    H    ARG 108           H        ARG 108  -1.650   4.756  12.858
  821    HA   ARG 108           HA       ARG 108  -3.016   6.321  14.981
  822   1HB   ARG 108          1HB       ARG 108  -0.799   7.237  14.358
  823   2HB   ARG 108          2HB       ARG 108  -1.255   7.242  12.651
  824   1HG   ARG 108          1HG       ARG 108  -2.927   8.986  13.037
  825   2HG   ARG 108          2HG       ARG 108  -2.672   8.869  14.785
  826   1HD   ARG 108          1HD       ARG 108  -1.493  10.788  14.088
  827   2HD   ARG 108          2HD       ARG 108  -0.267   9.566  14.412
  828    HE   ARG 108           HE       ARG 108  -1.279  10.378  11.684
  829   1HH1  ARG 108          2HH2      ARG 108   1.577   9.161  13.509
  830   2HH1  ARG 108          1HH2      ARG 108   2.679  10.143  12.601
  831   1HH2  ARG 108          2HH1      ARG 108   0.194  11.429  10.486
  832   2HH2  ARG 108          1HH1      ARG 108   1.901  11.052  10.513
  833    H    ALA 109           H        ALA 109  -3.148   4.975  11.778
  834    HA   ALA 109           HA       ALA 109  -5.957   5.617  11.401
  835   1HB   ALA 109          2HB       ALA 109  -3.860   7.378  10.235
  836   2HB   ALA 109          3HB       ALA 109  -4.923   6.669   9.016
  837   3HB   ALA 109          1HB       ALA 109  -5.595   7.615  10.351
  838    H    ALA 110           H        ALA 110  -6.725   4.726   9.364
  839    HA   ALA 110           HA       ALA 110  -5.225   2.363   8.376
  840   1HB   ALA 110          3HB       ALA 110  -8.201   3.097   8.291
  841   2HB   ALA 110          1HB       ALA 110  -7.478   1.662   7.554
  842   3HB   ALA 110          2HB       ALA 110  -7.467   1.853   9.314
  843    H    LEU 111           H        LEU 111  -4.006   3.109   6.662
  844    HA   LEU 111           HA       LEU 111  -5.078   5.226   4.870
  845   1HB   LEU 111          1HB       LEU 111  -2.738   5.297   5.609
  846   2HB   LEU 111          2HB       LEU 111  -2.430   3.729   4.900
  847    HG   LEU 111           HG       LEU 111  -3.222   6.269   3.404
  848   1HD1  LEU 111          1HD1      LEU 111  -0.944   6.320   4.424
  849   2HD1  LEU 111          2HD1      LEU 111  -0.538   4.813   3.582
  850   3HD1  LEU 111          3HD1      LEU 111  -0.872   6.295   2.658
  851   1HD2  LEU 111          1HD2      LEU 111  -2.440   3.542   2.324
  852   2HD2  LEU 111          2HD2      LEU 111  -3.945   4.446   2.020
  853   3HD2  LEU 111          3HD2      LEU 111  -2.428   5.035   1.356
  854    H    VAL 112           H        VAL 112  -6.808   4.306   3.954
  855    HA   VAL 112           HA       VAL 112  -6.922   1.532   3.047
  856    HB   VAL 112           HB       VAL 112  -8.871   3.868   2.678
  857   1HG1  VAL 112          1HG1      VAL 112  -9.274   1.976   1.147
  858   2HG1  VAL 112          2HG1      VAL 112  -9.316   0.868   2.536
  859   3HG1  VAL 112          3HG1      VAL 112 -10.556   2.125   2.360
  860   1HG2  VAL 112          2HG2      VAL 112  -8.763   1.791   4.896
  861   2HG2  VAL 112          3HG2      VAL 112  -8.590   3.551   5.077
  862   3HG2  VAL 112          1HG2      VAL 112 -10.138   2.876   4.588
  863    H    ILE 113           H        ILE 113  -6.514   0.946   0.892
  864    HA   ILE 113           HA       ILE 113  -6.217   3.145  -1.067
  865    HB   ILE 113           HB       ILE 113  -4.539   0.605  -0.870
  866   1HG1  ILE 113          1HG1      ILE 113  -3.821   3.565  -0.614
  867   2HG1  ILE 113          2HG1      ILE 113  -3.861   2.376   0.691
  868   1HG2  ILE 113          2HG2      ILE 113  -5.064   1.123  -3.248
  869   2HG2  ILE 113          3HG2      ILE 113  -4.472   2.785  -3.014
  870   3HG2  ILE 113          1HG2      ILE 113  -3.372   1.391  -2.906
  871   1HD1  ILE 113          1HD1      ILE 113  -2.016   1.120  -0.384
  872   2HD1  ILE 113          2HD1      ILE 113  -1.875   2.414  -1.605
  873   3HD1  ILE 113          3HD1      ILE 113  -1.580   2.769   0.095
  874    H    THR 114           H        THR 114  -7.288   2.789  -2.957
  875    HA   THR 114           HA       THR 114  -8.830   0.269  -3.355
  876    HB   THR 114           HB       THR 114  -9.631   3.102  -4.144
  877    HG1  THR 114           HG1      THR 114  -9.802   2.715  -1.959
  878   1HG2  THR 114          1HG2      THR 114 -11.096   0.429  -4.386
  879   2HG2  THR 114          2HG2      THR 114 -11.796   2.037  -4.740
  880   3HG2  THR 114          3HG2      THR 114 -10.466   1.407  -5.722
  881    H    VAL 115           H        VAL 115  -7.634  -0.778  -4.784
  882    HA   VAL 115           HA       VAL 115  -5.687   0.457  -6.568
  883    HB   VAL 115           HB       VAL 115  -6.828  -2.352  -6.230
  884   1HG1  VAL 115          1HG1      VAL 115  -4.807  -1.341  -8.235
  885   2HG1  VAL 115          2HG1      VAL 115  -4.831  -3.038  -7.703
  886   3HG1  VAL 115          3HG1      VAL 115  -6.233  -2.329  -8.519
  887   1HG2  VAL 115          1HG2      VAL 115  -4.130  -1.116  -5.516
  888   2HG2  VAL 115          2HG2      VAL 115  -5.393  -1.639  -4.390
  889   3HG2  VAL 115          3HG2      VAL 115  -4.543  -2.842  -5.356
  890    H    VAL 116           H        VAL 116  -5.871   0.501  -8.902
  891    HA   VAL 116           HA       VAL 116  -8.604   0.165 -10.002
  892    HB   VAL 116           HB       VAL 116  -6.713   2.501 -10.477
  893   1HG1  VAL 116          2HG1      VAL 116  -9.390   1.835 -11.783
  894   2HG1  VAL 116          3HG1      VAL 116  -8.506   3.364 -11.969
  895   3HG1  VAL 116          1HG1      VAL 116  -7.807   1.866 -12.591
  896   1HG2  VAL 116          3HG2      VAL 116  -9.523   2.387  -9.276
  897   2HG2  VAL 116          1HG2      VAL 116  -8.041   2.724  -8.374
  898   3HG2  VAL 116          2HG2      VAL 116  -8.594   3.866  -9.596
  899    H    SER 117           H        SER 117  -4.990   0.276 -10.597
  900    HA   SER 117           HA       SER 117  -5.435  -2.064 -12.295
  901   1HB   SER 117          1HB       SER 117  -4.030   0.440 -13.292
  902   2HB   SER 117          2HB       SER 117  -4.118  -1.106 -14.164
  903    HG   SER 117           HG       SER 117  -6.591  -0.402 -13.510
  904    H    ALA 118           H        ALA 118  -3.905  -3.514 -11.877
  905    HA   ALA 118           HA       ALA 118  -1.262  -2.768 -10.792
  906   1HB   ALA 118          2HB       ALA 118  -2.755  -4.171  -9.264
  907   2HB   ALA 118          3HB       ALA 118  -2.857  -5.380 -10.551
  908   3HB   ALA 118          1HB       ALA 118  -1.293  -5.037  -9.792
  909    H    GLU 119           H        GLU 119   0.487  -3.458 -11.973
  910    HA   GLU 119           HA       GLU 119   0.162  -5.362 -14.198
  911   1HB   GLU 119          1HB       GLU 119   1.537  -3.906 -15.575
  912   2HB   GLU 119          2HB       GLU 119  -0.147  -3.476 -15.374
  913   1HG   GLU 119          1HG       GLU 119   1.902  -2.295 -13.519
  914   2HG   GLU 119          2HG       GLU 119   1.826  -1.772 -15.200
  915    H    GLN 120           H        GLN 120   2.006  -6.566 -14.704
  916    HA   GLN 120           HA       GLN 120   3.902  -6.988 -12.523
  917   1HB   GLN 120          1HB       GLN 120   3.012  -8.899 -13.721
  918   2HB   GLN 120          2HB       GLN 120   3.399  -8.198 -15.289
  919   1HG   GLN 120          1HG       GLN 120   4.880 -10.104 -14.568
  920   2HG   GLN 120          2HG       GLN 120   5.707  -8.631 -15.066
  921   1HE2  GLN 120          2HE2      GLN 120   5.716  -9.233 -11.015
  922   2HE2  GLN 120          1HE2      GLN 120   4.265  -9.755 -11.850
  923    H    THR 121           H        THR 121   6.084  -6.253 -12.506
  924    HA   THR 121           HA       THR 121   7.107  -4.847 -14.841
  925    HB   THR 121           HB       THR 121   7.406  -2.716 -13.538
  926    HG1  THR 121           HG1      THR 121   5.209  -3.487 -12.016
  927   1HG2  THR 121          3HG2      THR 121   5.662  -2.909 -15.329
  928   2HG2  THR 121          1HG2      THR 121   4.465  -3.247 -14.060
  929   3HG2  THR 121          2HG2      THR 121   5.337  -1.704 -14.076
  930    H    LEU 122           H        LEU 122   7.727  -5.116 -11.288
  931    HA   LEU 122           HA       LEU 122  10.612  -4.822 -11.851
  932   1HB   LEU 122          1HB       LEU 122  10.821  -4.069  -9.572
  933   2HB   LEU 122          2HB       LEU 122   9.622  -3.148 -10.442
  934    HG   LEU 122           HG       LEU 122   8.051  -5.133  -9.251
  935   1HD1  LEU 122          2HD1      LEU 122  10.231  -4.318  -7.286
  936   2HD1  LEU 122          3HD1      LEU 122   8.701  -5.073  -6.834
  937   3HD1  LEU 122          1HD1      LEU 122   9.838  -5.972  -7.852
  938   1HD2  LEU 122          1HD2      LEU 122   7.501  -2.758  -9.412
  939   2HD2  LEU 122          2HD2      LEU 122   7.276  -3.353  -7.765
  940   3HD2  LEU 122          3HD2      LEU 122   8.708  -2.375  -8.159
  941    HN3  FMN 123           HN3      FMN 123   2.547   2.244   8.509
  942    H6   FMN 123           H6       FMN 123   8.220  -0.771   5.782
  943   1HM7  FMN 123          1HM7      FMN 123  10.046  -1.119   4.278
  944   2HM7  FMN 123          2HM7      FMN 123  11.195   0.165   3.935
  945   3HM7  FMN 123          3HM7      FMN 123  11.470  -0.877   5.340
  946   1HM8  FMN 123          1HM8      FMN 123  12.079   3.216   5.976
  947   2HM8  FMN 123          2HM8      FMN 123  12.536   1.526   5.728
  948   3HM8  FMN 123          3HM8      FMN 123  11.778   2.455   4.409
  949    H9   FMN 123           H9       FMN 123  10.049   3.688   6.955
  950   1H1*  FMN 123          1H1*      FMN 123   7.799   4.562   9.583
  951   2H1*  FMN 123          2H1*      FMN 123   9.211   4.468   8.607
  952    H2*  FMN 123           H2*      FMN 123   8.165   6.645   8.445
  953   *HO2  FMN 123          *HO2      FMN 123   6.097   6.735   8.506
  954    H3*  FMN 123           H3*      FMN 123   8.005   5.071   5.861
  955   *HO3  FMN 123          *HO3      FMN 123   9.808   6.606   5.563
  956    H4*  FMN 123           H4*      FMN 123   6.585   6.901   5.403
  957   *HO4  FMN 123          *HO4      FMN 123   8.009   8.307   4.188
  958   1H5*  FMN 123          1H5*      FMN 123   7.024   8.426   7.327
  959   2H5*  FMN 123          2H5*      FMN 123   8.542   8.941   6.564
   
  No H/Q in entry =         959
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1 -10.065 -10.223  -9.594
    2   2H    MET   1          2H        MET   1 -11.489 -10.221 -10.454
    3   3H    MET   1          3H        MET   1 -10.106 -10.898 -11.073
    4    HA   MET   1           HA       MET   1 -10.414  -8.863 -12.167
    5   1HB   MET   1          1HB       MET   1 -10.599  -7.724  -9.352
    6   2HB   MET   1          2HB       MET   1 -10.184  -6.747 -10.776
    7   1HG   MET   1          1HG       MET   1 -12.264  -7.539 -11.897
    8   2HG   MET   1          2HG       MET   1 -12.750  -8.344 -10.401
    9   1HE   MET   1          2HE       MET   1 -12.318  -6.527  -7.997
   10   2HE   MET   1          3HE       MET   1 -13.730  -5.456  -8.036
   11   3HE   MET   1          1HE       MET   1 -13.923  -7.173  -8.410
   12    H    LEU   2           H        LEU   2  -8.372  -8.348  -9.179
   13    HA   LEU   2           HA       LEU   2  -6.085  -7.764 -10.824
   14   1HB   LEU   2          1HB       LEU   2  -6.591  -8.319  -7.878
   15   2HB   LEU   2          2HB       LEU   2  -4.958  -8.269  -8.479
   16    HG   LEU   2           HG       LEU   2  -5.786  -6.153  -7.424
   17   1HD1  LEU   2          3HD1      LEU   2  -3.823  -6.172  -8.862
   18   2HD1  LEU   2          1HD1      LEU   2  -4.835  -5.945 -10.313
   19   3HD1  LEU   2          2HD1      LEU   2  -4.730  -4.675  -9.086
   20   1HD2  LEU   2          1HD2      LEU   2  -8.079  -6.102  -8.422
   21   2HD2  LEU   2          2HD2      LEU   2  -7.168  -4.596  -8.638
   22   3HD2  LEU   2          3HD2      LEU   2  -7.350  -5.703 -10.000
   23    HA   PRO   3           HA       PRO   3  -4.791 -11.868 -11.750
   24   1HB   PRO   3          1HB       PRO   3  -2.016 -11.802 -11.431
   25   2HB   PRO   3          2HB       PRO   3  -2.889 -11.109 -12.811
   26   1HG   PRO   3          1HG       PRO   3  -1.839  -9.710 -10.377
   27   2HG   PRO   3          2HG       PRO   3  -1.796  -9.163 -12.078
   28   1HD   PRO   3          1HD       PRO   3  -3.639  -8.238 -10.296
   29   2HD   PRO   3          2HD       PRO   3  -4.042  -8.476 -12.020
   30    H    GLY   4           H        GLY   4  -3.936 -13.889 -10.861
   31   1HA   GLY   4          1HA       GLY   4  -4.293 -14.272  -8.061
   32   2HA   GLY   4          2HA       GLY   4  -3.480 -15.398  -9.170
   33    H    THR   5           H        THR   5  -1.260 -14.004 -10.069
   34    HA   THR   5           HA       THR   5   0.616 -14.314  -8.195
   35    HB   THR   5           HB       THR   5   0.787 -12.215 -10.373
   36    HG1  THR   5           HG1      THR   5   1.287 -14.099 -11.707
   37   1HG2  THR   5          2HG2      THR   5   2.839 -12.621  -8.999
   38   2HG2  THR   5          3HG2      THR   5   2.765 -14.345  -9.416
   39   3HG2  THR   5          1HG2      THR   5   3.067 -13.128 -10.679
   40    H    PHE   6           H        PHE   6  -1.159 -11.230  -8.789
   41    HA   PHE   6           HA       PHE   6   0.319  -9.542  -7.046
   42   1HB   PHE   6          1HB       PHE   6  -1.246  -8.546  -8.485
   43   2HB   PHE   6          2HB       PHE   6  -2.535  -9.644  -8.037
   44    HD1  PHE   6           HD1      PHE   6  -0.535  -6.736  -6.766
   45    HD2  PHE   6           HD2      PHE   6  -4.081  -9.163  -6.348
   46    HE1  PHE   6           HE1      PHE   6  -1.485  -5.111  -5.131
   47    HE2  PHE   6           HE2      PHE   6  -5.029  -7.520  -4.766
   48    HZ   PHE   6           HZ       PHE   6  -3.712  -5.523  -4.128
   49    H    PHE   7           H        PHE   7  -2.558 -11.565  -6.288
   50    HA   PHE   7           HA       PHE   7  -2.523 -11.007  -3.488
   51   1HB   PHE   7          1HB       PHE   7  -3.734 -13.315  -5.049
   52   2HB   PHE   7          2HB       PHE   7  -3.945 -13.060  -3.326
   53    HD1  PHE   7           HD2      PHE   7  -4.963 -10.837  -2.501
   54    HD2  PHE   7           HD1      PHE   7  -5.185 -12.175  -6.595
   55    HE1  PHE   7           HE2      PHE   7  -6.894  -9.323  -2.894
   56    HE2  PHE   7           HE1      PHE   7  -7.100 -10.656  -6.984
   57    HZ   PHE   7           HZ       PHE   7  -7.968  -9.231  -5.117
   58    H    GLU   8           H        GLU   8  -1.141 -13.744  -5.400
   59    HA   GLU   8           HA       GLU   8  -0.149 -15.172  -3.201
   60   1HB   GLU   8          1HB       GLU   8   1.031 -14.952  -5.997
   61   2HB   GLU   8          2HB       GLU   8   1.524 -16.133  -4.786
   62   1HG   GLU   8          1HG       GLU   8  -1.201 -15.945  -6.124
   63   2HG   GLU   8          2HG       GLU   8   0.010 -17.202  -6.331
   64    H    VAL   9           H        VAL   9   1.444 -12.411  -4.898
   65    HA   VAL   9           HA       VAL   9   3.834 -12.633  -3.277
   66    HB   VAL   9           HB       VAL   9   2.698 -10.343  -4.941
   67   1HG1  VAL   9          2HG1      VAL   9   4.257  -9.447  -3.199
   68   2HG1  VAL   9          3HG1      VAL   9   5.492 -10.595  -3.736
   69   3HG1  VAL   9          1HG1      VAL   9   4.927  -9.308  -4.827
   70   1HG2  VAL   9          3HG2      VAL   9   3.438 -12.386  -6.226
   71   2HG2  VAL   9          1HG2      VAL   9   4.449 -10.978  -6.554
   72   3HG2  VAL   9          2HG2      VAL   9   5.028 -12.261  -5.470
   73    H    LEU  10           H        LEU  10   0.785 -10.710  -2.988
   74    HA   LEU  10           HA       LEU  10   1.493  -9.243  -0.671
   75   1HB   LEU  10          1HB       LEU  10  -1.168 -10.278  -1.676
   76   2HB   LEU  10          2HB       LEU  10  -1.043  -9.346  -0.199
   77    HG   LEU  10           HG       LEU  10   0.080  -8.258  -2.796
   78   1HD1  LEU  10          2HD1      LEU  10  -2.784  -8.420  -1.876
   79   2HD1  LEU  10          3HD1      LEU  10  -2.215  -7.007  -2.769
   80   3HD1  LEU  10          1HD1      LEU  10  -2.089  -8.625  -3.487
   81   1HD2  LEU  10          3HD2      LEU  10  -1.029  -6.883  -0.302
   82   2HD2  LEU  10          1HD2      LEU  10   0.694  -7.060  -0.700
   83   3HD2  LEU  10          2HD2      LEU  10  -0.362  -6.082  -1.731
   84    H    LYS  11           H        LYS  11   0.053 -12.530  -0.875
   85    HA   LYS  11           HA       LYS  11  -0.309 -12.993   1.897
   86   1HB   LYS  11          1HB       LYS  11   0.556 -14.991  -0.231
   87   2HB   LYS  11          2HB       LYS  11   0.027 -15.411   1.400
   88   1HG   LYS  11          1HG       LYS  11  -2.183 -14.225   0.881
   89   2HG   LYS  11          2HG       LYS  11  -1.659 -14.192  -0.801
   90   1HD   LYS  11          1HD       LYS  11  -2.242 -16.634   0.900
   91   2HD   LYS  11          2HD       LYS  11  -3.078 -16.065  -0.557
   92   1HE   LYS  11          1HE       LYS  11  -0.715 -16.343  -1.689
   93   2HE   LYS  11          2HE       LYS  11  -0.350 -17.386  -0.312
   94   1HZ   LYS  11          1HZ       LYS  11  -2.299 -18.760  -1.064
   95   2HZ   LYS  11          2HZ       LYS  11  -2.443 -17.687  -2.364
   96   3HZ   LYS  11          3HZ       LYS  11  -1.149 -18.525  -2.271
   97    H    ASN  12           H        ASN  12   2.728 -12.643   0.233
   98    HA   ASN  12           HA       ASN  12   4.163 -14.135   2.369
   99   1HB   ASN  12          1HB       ASN  12   4.984 -13.307  -0.441
  100   2HB   ASN  12          2HB       ASN  12   6.129 -13.897   0.744
  101   1HD2  ASN  12          2HD2      ASN  12   3.706 -16.617  -1.075
  102   2HD2  ASN  12          1HD2      ASN  12   3.311 -14.936  -1.317
  103    H    GLU  13           H        GLU  13   6.338 -13.172   2.814
  104    HA   GLU  13           HA       GLU  13   6.124 -10.401   3.745
  105   1HB   GLU  13          1HB       GLU  13   7.259 -11.994   5.117
  106   2HB   GLU  13          2HB       GLU  13   8.207 -12.641   3.806
  107   1HG   GLU  13          1HG       GLU  13   8.602  -9.727   4.547
  108   2HG   GLU  13          2HG       GLU  13   9.192 -10.961   5.664
  109    H    GLY  14           H        GLY  14   6.840  -8.627   2.715
  110   1HA   GLY  14          1HA       GLY  14   8.683  -8.554   0.585
  111   2HA   GLY  14          2HA       GLY  14   6.979  -8.523   0.030
  112    H    VAL  15           H        VAL  15   8.298  -6.301  -0.468
  113    HA   VAL  15           HA       VAL  15   7.875  -4.328   1.726
  114    HB   VAL  15           HB       VAL  15   9.680  -4.205  -0.743
  115   1HG1  VAL  15          1HG1      VAL  15   9.283  -2.177   1.509
  116   2HG1  VAL  15          2HG1      VAL  15  10.589  -2.109   0.306
  117   3HG1  VAL  15          3HG1      VAL  15   8.918  -1.943  -0.215
  118   1HG2  VAL  15          2HG2      VAL  15  10.618  -5.686   1.020
  119   2HG2  VAL  15          3HG2      VAL  15  11.562  -4.202   0.848
  120   3HG2  VAL  15          1HG2      VAL  15  10.420  -4.366   2.198
  121    H    VAL  16           H        VAL  16   6.703  -2.463   1.128
  122    HA   VAL  16           HA       VAL  16   5.502  -2.374  -1.544
  123    HB   VAL  16           HB       VAL  16   3.938  -1.800   0.978
  124   1HG1  VAL  16          1HG1      VAL  16   3.060  -2.064  -1.922
  125   2HG1  VAL  16          2HG1      VAL  16   1.956  -1.925  -0.539
  126   3HG1  VAL  16          3HG1      VAL  16   3.033  -0.593  -0.927
  127   1HG2  VAL  16          3HG2      VAL  16   4.012  -4.351  -0.627
  128   2HG2  VAL  16          1HG2      VAL  16   4.218  -4.126   1.117
  129   3HG2  VAL  16          2HG2      VAL  16   2.628  -3.926   0.378
  130    H    ALA  17           H        ALA  17   4.945  -0.169  -2.088
  131    HA   ALA  17           HA       ALA  17   5.855   1.922  -0.316
  132   1HB   ALA  17          3HB       ALA  17   7.794   1.198  -1.901
  133   2HB   ALA  17          1HB       ALA  17   6.793   1.806  -3.210
  134   3HB   ALA  17          2HB       ALA  17   7.355   2.910  -1.946
  135    H    ILE  18           H        ILE  18   4.832   3.998  -0.967
  136    HA   ILE  18           HA       ILE  18   2.520   3.728  -2.809
  137    HB   ILE  18           HB       ILE  18   2.404   4.626   0.087
  138   1HG1  ILE  18          1HG1      ILE  18   0.566   2.466  -0.881
  139   2HG1  ILE  18          2HG1      ILE  18   2.236   1.994  -0.688
  140   1HG2  ILE  18          3HG2      ILE  18   0.191   4.613  -2.008
  141   2HG2  ILE  18          1HG2      ILE  18  -0.037   4.936  -0.272
  142   3HG2  ILE  18          2HG2      ILE  18   0.928   6.038  -1.245
  143   1HD1  ILE  18          2HD1      ILE  18   2.291   2.813   1.616
  144   2HD1  ILE  18          3HD1      ILE  18   0.570   3.254   1.486
  145   3HD1  ILE  18          1HD1      ILE  18   1.084   1.547   1.343
  146    H    ALA  19           H        ALA  19   2.739   5.486  -4.177
  147    HA   ALA  19           HA       ALA  19   4.276   7.856  -3.266
  148   1HB   ALA  19          1HB       ALA  19   4.546   6.678  -5.646
  149   2HB   ALA  19          2HB       ALA  19   3.163   7.720  -6.034
  150   3HB   ALA  19          3HB       ALA  19   4.664   8.423  -5.419
  151    H    THR  20           H        THR  20   3.028   9.184  -2.048
  152    HA   THR  20           HA       THR  20   0.165   9.423  -2.557
  153    HB   THR  20           HB       THR  20   1.801  11.162  -0.662
  154    HG1  THR  20           HG1      THR  20   2.353   9.470   0.356
  155   1HG2  THR  20          3HG2      THR  20  -0.729  11.451  -1.052
  156   2HG2  THR  20          1HG2      THR  20  -0.940   9.774  -0.537
  157   3HG2  THR  20          2HG2      THR  20  -0.325  10.975   0.604
  158    H    GLN  21           H        GLN  21  -0.574  10.996  -4.258
  159    HA   GLN  21           HA       GLN  21   1.389  13.029  -5.105
  160   1HB   GLN  21          1HB       GLN  21  -0.392  11.923  -6.693
  161   2HB   GLN  21          2HB       GLN  21  -1.557  12.866  -5.800
  162   1HG   GLN  21          1HG       GLN  21   0.366  13.709  -7.871
  163   2HG   GLN  21          2HG       GLN  21  -1.259  14.271  -7.548
  164   1HE2  GLN  21          2HE2      GLN  21   1.915  16.289  -5.944
  165   2HE2  GLN  21          1HE2      GLN  21   2.220  14.658  -6.547
  166    H    GLY  22           H        GLY  22   1.595  14.869  -3.807
  167   1HA   GLY  22          1HA       GLY  22  -0.811  15.789  -2.339
  168   2HA   GLY  22          2HA       GLY  22   0.719  15.638  -1.484
  169    H    GLU  23           H        GLU  23   2.599  16.831  -2.357
  170    HA   GLU  23           HA       GLU  23   1.965  19.240  -3.917
  171   1HB   GLU  23          1HB       GLU  23   1.107  19.529  -1.535
  172   2HB   GLU  23          2HB       GLU  23   2.771  19.440  -0.970
  173   1HG   GLU  23          1HG       GLU  23   3.321  21.520  -1.883
  174   2HG   GLU  23          2HG       GLU  23   2.145  21.370  -3.186
  175    H    ASP  24           H        ASP  24   4.326  17.641  -1.689
  176    HA   ASP  24           HA       ASP  24   6.648  18.884  -2.878
  177   1HB   ASP  24          1HB       ASP  24   7.847  17.545  -1.271
  178   2HB   ASP  24          2HB       ASP  24   6.403  18.130  -0.469
  179    H    GLY  25           H        GLY  25   5.058  17.525  -4.900
  180   1HA   GLY  25          1HA       GLY  25   5.587  16.086  -6.739
  181   2HA   GLY  25          2HA       GLY  25   7.075  15.584  -5.895
  182    HA   PRO  26           HA       PRO  26   3.369  12.728  -4.786
  183   1HB   PRO  26          1HB       PRO  26   4.228  10.430  -6.183
  184   2HB   PRO  26          2HB       PRO  26   2.782  11.416  -6.478
  185   1HG   PRO  26          1HG       PRO  26   5.468  11.429  -7.857
  186   2HG   PRO  26          2HG       PRO  26   3.878  11.824  -8.566
  187   1HD   PRO  26          1HD       PRO  26   5.812  13.701  -7.845
  188   2HD   PRO  26          2HD       PRO  26   4.056  14.059  -7.906
  189    H    HIS  27           H        HIS  27   3.893  11.414  -3.070
  190    HA   HIS  27           HA       HIS  27   6.848  11.332  -2.479
  191   1HB   HIS  27          1HB       HIS  27   5.306  12.906  -1.183
  192   2HB   HIS  27          2HB       HIS  27   4.582  11.486  -0.469
  193    HD1  HIS  27           HD1      HIS  27   7.981  13.203  -0.724
  194    HD2  HIS  27           HD2      HIS  27   5.809  10.644   1.705
  195    HE1  HIS  27           HE1      HIS  27   9.680  12.280   0.978
  196    H    LEU  28           H        LEU  28   7.569   9.318  -2.870
  197    HA   LEU  28           HA       LEU  28   5.882   6.983  -2.499
  198   1HB   LEU  28          1HB       LEU  28   7.340   7.369  -4.457
  199   2HB   LEU  28          2HB       LEU  28   8.758   7.187  -3.430
  200    HG   LEU  28           HG       LEU  28   8.350   4.840  -3.117
  201   1HD1  LEU  28          3HD1      LEU  28   5.626   5.327  -4.382
  202   2HD1  LEU  28          1HD1      LEU  28   6.300   3.727  -4.128
  203   3HD1  LEU  28          2HD1      LEU  28   5.986   4.774  -2.731
  204   1HD2  LEU  28          2HD2      LEU  28   9.196   5.443  -5.401
  205   2HD2  LEU  28          3HD2      LEU  28   8.220   3.960  -5.415
  206   3HD2  LEU  28          1HD2      LEU  28   7.516   5.481  -5.993
  207    H    VAL  29           H        VAL  29   5.455   6.877  -0.307
  208    HA   VAL  29           HA       VAL  29   7.603   6.546   1.656
  209    HB   VAL  29           HB       VAL  29   5.829   6.156   3.247
  210   1HG1  VAL  29          2HG1      VAL  29   6.335   8.512   2.419
  211   2HG1  VAL  29          3HG1      VAL  29   4.872   8.402   1.432
  212   3HG1  VAL  29          1HG1      VAL  29   4.762   8.285   3.200
  213   1HG2  VAL  29          2HG2      VAL  29   4.224   4.815   1.874
  214   2HG2  VAL  29          3HG2      VAL  29   3.475   6.131   2.792
  215   3HG2  VAL  29          1HG2      VAL  29   3.739   6.324   1.062
  216    H    ASN  30           H        ASN  30   7.409   4.425   3.142
  217    HA   ASN  30           HA       ASN  30   7.037   2.042   1.391
  218   1HB   ASN  30          1HB       ASN  30   9.320   2.683   3.255
  219   2HB   ASN  30          2HB       ASN  30   8.894   1.013   2.929
  220   1HD2  ASN  30          2HD2      ASN  30   9.767   1.324  -0.609
  221   2HD2  ASN  30          1HD2      ASN  30   8.370   0.738   0.292
  222    H    THR  31           H        THR  31   6.772  -0.021   2.538
  223    HA   THR  31           HA       THR  31   6.173  -0.226   5.273
  224    HB   THR  31           HB       THR  31   4.137   0.967   4.701
  225    HG1  THR  31           HG1      THR  31   3.577  -0.263   6.249
  226   1HG2  THR  31          3HG2      THR  31   3.927   0.180   2.298
  227   2HG2  THR  31          1HG2      THR  31   3.297  -1.354   2.969
  228   3HG2  THR  31          2HG2      THR  31   2.446   0.176   3.254
  229    H    TRP  32           H        TRP  32   5.070  -2.537   5.521
  230    HA   TRP  32           HA       TRP  32   6.466  -4.497   3.727
  231   1HB   TRP  32          1HB       TRP  32   6.176  -4.501   6.760
  232   2HB   TRP  32          2HB       TRP  32   6.667  -5.899   5.815
  233    HD1  TRP  32           HD1      TRP  32   7.980  -2.585   7.082
  234    HE1  TRP  32           HE1      TRP  32  10.461  -2.359   6.608
  235    HE3  TRP  32           HE3      TRP  32   8.610  -6.816   4.300
  236    HZ2  TRP  32           HZ2      TRP  32  12.501  -3.826   5.105
  237    HZ3  TRP  32           HZ3      TRP  32  10.788  -7.369   3.312
  238    HH2  TRP  32           HH2      TRP  32  12.745  -5.858   3.657
  239    H    ASN  33           H        ASN  33   5.245  -6.357   3.147
  240    HA   ASN  33           HA       ASN  33   2.447  -6.144   3.084
  241   1HB   ASN  33          1HB       ASN  33   4.101  -8.707   3.074
  242   2HB   ASN  33          2HB       ASN  33   2.414  -8.581   2.607
  243   1HD2  ASN  33          2HD2      ASN  33   4.176  -8.644  -0.584
  244   2HD2  ASN  33          1HD2      ASN  33   3.738  -9.740   0.721
  245    H    SER  34           H        SER  34   4.535  -7.496   5.532
  246    HA   SER  34           HA       SER  34   2.769  -8.991   7.114
  247   1HB   SER  34          1HB       SER  34   5.320  -8.899   7.163
  248   2HB   SER  34          2HB       SER  34   5.166  -7.403   8.108
  249    HG   SER  34           HG       SER  34   3.760  -8.760   9.511
  250    H    TYR  35           H        TYR  35   2.622  -5.590   6.637
  251    HA   TYR  35           HA       TYR  35   1.370  -5.111   9.306
  252   1HB   TYR  35          1HB       TYR  35   2.574  -3.155   7.333
  253   2HB   TYR  35          2HB       TYR  35   1.948  -2.787   8.926
  254    HD1  TYR  35           HD1      TYR  35   3.514  -5.451  10.124
  255    HD2  TYR  35           HD2      TYR  35   4.537  -1.850   7.974
  256    HE1  TYR  35           HE1      TYR  35   5.791  -5.564  11.032
  257    HE2  TYR  35           HE2      TYR  35   6.804  -1.905   8.964
  258    HH   TYR  35           HH       TYR  35   7.904  -4.551  11.107
  259    H    LEU  36           H        LEU  36   0.596  -5.672   6.000
  260    HA   LEU  36           HA       LEU  36  -1.472  -3.543   5.925
  261   1HB   LEU  36          1HB       LEU  36  -0.595  -5.519   3.767
  262   2HB   LEU  36          2HB       LEU  36  -1.647  -4.123   3.551
  263    HG   LEU  36           HG       LEU  36   1.339  -4.110   4.112
  264   1HD1  LEU  36          1HD1      LEU  36  -0.365  -3.028   1.821
  265   2HD1  LEU  36          2HD1      LEU  36   1.396  -2.882   1.974
  266   3HD1  LEU  36          3HD1      LEU  36   0.659  -4.484   1.773
  267   1HD2  LEU  36          1HD2      LEU  36  -0.629  -1.806   4.069
  268   2HD2  LEU  36          2HD2      LEU  36   0.406  -2.289   5.438
  269   3HD2  LEU  36          3HD2      LEU  36   1.139  -1.613   3.995
  270    H    LYS  37           H        LYS  37  -3.545  -4.145   4.829
  271    HA   LYS  37           HA       LYS  37  -4.366  -6.956   5.321
  272   1HB   LYS  37          1HB       LYS  37  -6.526  -6.372   6.141
  273   2HB   LYS  37          2HB       LYS  37  -5.285  -5.772   7.250
  274   1HG   LYS  37          1HG       LYS  37  -5.583  -3.543   6.569
  275   2HG   LYS  37          2HG       LYS  37  -6.601  -3.981   5.179
  276   1HD   LYS  37          1HD       LYS  37  -7.385  -4.088   8.064
  277   2HD   LYS  37          2HD       LYS  37  -7.952  -2.972   6.825
  278   1HE   LYS  37          1HE       LYS  37  -8.698  -5.119   5.516
  279   2HE   LYS  37          2HE       LYS  37  -8.591  -5.932   7.082
  280   1HZ   LYS  37          3HZ       LYS  37 -10.232  -4.200   7.889
  281   2HZ   LYS  37          1HZ       LYS  37 -10.326  -3.643   6.357
  282   3HZ   LYS  37          2HZ       LYS  37 -10.825  -5.145   6.680
  283    H    VAL  38           H        VAL  38  -5.247  -7.773   3.471
  284    HA   VAL  38           HA       VAL  38  -5.945  -5.886   1.285
  285    HB   VAL  38           HB       VAL  38  -5.060  -8.791   1.174
  286   1HG1  VAL  38          3HG1      VAL  38  -5.684  -6.830  -1.075
  287   2HG1  VAL  38          1HG1      VAL  38  -4.983  -8.452  -1.284
  288   3HG1  VAL  38          2HG1      VAL  38  -6.613  -8.276  -0.645
  289   1HG2  VAL  38          3HG2      VAL  38  -3.181  -7.132   1.704
  290   2HG2  VAL  38          1HG2      VAL  38  -2.998  -8.118   0.273
  291   3HG2  VAL  38          2HG2      VAL  38  -3.501  -6.423   0.104
  292    H    LEU  39           H        LEU  39  -8.033  -6.142   0.451
  293    HA   LEU  39           HA       LEU  39  -9.810  -8.180   1.644
  294   1HB   LEU  39          1HB       LEU  39 -10.643  -5.361   0.860
  295   2HB   LEU  39          2HB       LEU  39 -11.637  -6.619   1.548
  296    HG   LEU  39           HG       LEU  39 -10.230  -6.402   3.696
  297   1HD1  LEU  39          1HD1      LEU  39  -9.286  -3.946   2.174
  298   2HD1  LEU  39          2HD1      LEU  39  -9.402  -3.912   3.926
  299   3HD1  LEU  39          3HD1      LEU  39  -8.320  -5.071   3.133
  300   1HD2  LEU  39          1HD2      LEU  39 -12.562  -5.597   3.400
  301   2HD2  LEU  39          2HD2      LEU  39 -11.634  -4.511   4.438
  302   3HD2  LEU  39          3HD2      LEU  39 -11.939  -4.057   2.763
  303    H    ASP  40           H        ASP  40 -11.865  -8.082  -0.030
  304    HA   ASP  40           HA       ASP  40 -10.737  -8.526  -2.643
  305   1HB   ASP  40          1HB       ASP  40 -12.454 -10.087  -1.728
  306   2HB   ASP  40          2HB       ASP  40 -13.648  -8.785  -1.871
  307    H    GLY  41           H        GLY  41 -12.495  -7.559  -4.443
  308   1HA   GLY  41          1HA       GLY  41 -13.048  -5.624  -5.614
  309   2HA   GLY  41          2HA       GLY  41 -13.439  -4.882  -4.047
  310    H    ASN  42           H        ASN  42 -10.379  -6.260  -4.626
  311    HA   ASN  42           HA       ASN  42  -8.243  -5.669  -4.614
  312   1HB   ASN  42          1HB       ASN  42  -7.458  -4.036  -6.114
  313   2HB   ASN  42          2HB       ASN  42  -8.917  -4.699  -6.848
  314   1HD2  ASN  42          2HD2      ASN  42 -10.076  -1.402  -7.249
  315   2HD2  ASN  42          1HD2      ASN  42 -10.188  -3.071  -7.829
  316    H    ARG  43           H        ARG  43 -10.232  -4.304  -2.496
  317    HA   ARG  43           HA       ARG  43  -8.746  -1.886  -1.931
  318   1HB   ARG  43          1HB       ARG  43 -11.091  -2.210  -1.326
  319   2HB   ARG  43          2HB       ARG  43 -10.666  -3.420  -0.126
  320   1HG   ARG  43          1HG       ARG  43  -9.769  -1.856   1.370
  321   2HG   ARG  43          2HG       ARG  43  -9.351  -0.705   0.102
  322   1HD   ARG  43          1HD       ARG  43 -12.198  -1.348   0.922
  323   2HD   ARG  43          2HD       ARG  43 -11.272   0.003   1.557
  324    HE   ARG  43           HE       ARG  43 -10.964   0.761  -0.827
  325   1HH1  ARG  43          2HH2      ARG  43 -13.849  -1.044   0.078
  326   2HH1  ARG  43          1HH2      ARG  43 -14.813  -0.503  -1.255
  327   1HH2  ARG  43          2HH1      ARG  43 -12.133   1.518  -2.525
  328   2HH2  ARG  43          1HH1      ARG  43 -13.784   1.064  -2.825
  329    H    ILE  44           H        ILE  44  -7.095  -1.424  -0.464
  330    HA   ILE  44           HA       ILE  44  -6.050  -3.649   1.164
  331    HB   ILE  44           HB       ILE  44  -4.246  -1.685  -0.290
  332   1HG1  ILE  44          1HG1      ILE  44  -4.797  -4.537  -1.261
  333   2HG1  ILE  44          2HG1      ILE  44  -5.391  -3.063  -2.030
  334   1HG2  ILE  44          1HG2      ILE  44  -3.772  -4.377   1.104
  335   2HG2  ILE  44          2HG2      ILE  44  -2.500  -3.481   0.266
  336   3HG2  ILE  44          3HG2      ILE  44  -3.245  -2.792   1.692
  337   1HD1  ILE  44          1HD1      ILE  44  -3.006  -2.282  -2.259
  338   2HD1  ILE  44          2HD1      ILE  44  -2.524  -3.965  -1.912
  339   3HD1  ILE  44          3HD1      ILE  44  -3.547  -3.574  -3.309
  340    H    VAL  45           H        VAL  45  -4.792  -2.654   3.044
  341    HA   VAL  45           HA       VAL  45  -5.241   0.212   3.460
  342    HB   VAL  45           HB       VAL  45  -6.040  -1.826   5.500
  343   1HG1  VAL  45          3HG1      VAL  45  -5.361   0.322   6.491
  344   2HG1  VAL  45          1HG1      VAL  45  -6.601   1.142   5.517
  345   3HG1  VAL  45          2HG1      VAL  45  -7.052  -0.047   6.768
  346   1HG2  VAL  45          1HG2      VAL  45  -7.980  -0.252   3.798
  347   2HG2  VAL  45          2HG2      VAL  45  -7.759  -2.009   3.785
  348   3HG2  VAL  45          3HG2      VAL  45  -8.405  -1.225   5.213
  349    H    VAL  46           H        VAL  46  -3.757   1.064   4.763
  350    HA   VAL  46           HA       VAL  46  -1.419  -0.536   5.580
  351    HB   VAL  46           HB       VAL  46  -1.655   2.296   4.503
  352   1HG1  VAL  46          2HG1      VAL  46   0.842   0.668   5.088
  353   2HG1  VAL  46          3HG1      VAL  46   0.802   2.258   4.292
  354   3HG1  VAL  46          1HG1      VAL  46   0.280   2.106   5.969
  355   1HG2  VAL  46          3HG2      VAL  46  -2.096   0.497   2.729
  356   2HG2  VAL  46          1HG2      VAL  46  -0.884   1.706   2.425
  357   3HG2  VAL  46          2HG2      VAL  46  -0.375   0.080   2.908
  358    HA   PRO  47           HA       PRO  47  -2.503   1.499   9.539
  359   1HB   PRO  47          1HB       PRO  47  -0.475   0.563  11.074
  360   2HB   PRO  47          2HB       PRO  47  -1.823  -0.476  10.524
  361   1HG   PRO  47          1HG       PRO  47   0.915  -0.208   9.248
  362   2HG   PRO  47          2HG       PRO  47   0.065  -1.706   9.723
  363   1HD   PRO  47          1HD       PRO  47   0.032  -0.699   7.188
  364   2HD   PRO  47          2HD       PRO  47  -1.428  -1.486   7.874
  365    H    VAL  48           H        VAL  48  -2.191   3.686   9.387
  366    HA   VAL  48           HA       VAL  48   0.532   4.678   8.902
  367    HB   VAL  48           HB       VAL  48  -1.047   5.851   7.545
  368   1HG1  VAL  48          1HG1      VAL  48  -2.724   6.094   9.968
  369   2HG1  VAL  48          2HG1      VAL  48  -2.974   7.068   8.509
  370   3HG1  VAL  48          3HG1      VAL  48  -3.117   5.320   8.409
  371   1HG2  VAL  48          3HG2      VAL  48   0.671   7.163   9.076
  372   2HG2  VAL  48          1HG2      VAL  48  -0.529   8.055   8.146
  373   3HG2  VAL  48          2HG2      VAL  48  -0.788   7.765   9.878
  374    H    GLY  49           H        GLY  49   1.780   4.812  10.562
  375   1HA   GLY  49          1HA       GLY  49   0.789   5.689  13.231
  376   2HA   GLY  49          2HA       GLY  49   2.189   4.636  12.956
  377    H    GLY  50           H        GLY  50   3.067   6.355  10.510
  378   1HA   GLY  50          1HA       GLY  50   3.683   8.952  11.662
  379   2HA   GLY  50          2HA       GLY  50   5.021   7.799  11.531
  380    H    MET  51           H        MET  51   2.199   8.201   9.368
  381    HA   MET  51           HA       MET  51   3.987   8.993   7.126
  382   1HB   MET  51          1HB       MET  51   1.376   7.432   6.995
  383   2HB   MET  51          2HB       MET  51   2.218   8.081   5.611
  384   1HG   MET  51          1HG       MET  51   4.053   6.667   5.857
  385   2HG   MET  51          2HG       MET  51   3.597   6.202   7.497
  386   1HE   MET  51          3HE       MET  51   4.498   4.018   6.225
  387   2HE   MET  51          1HE       MET  51   3.492   3.041   5.127
  388   3HE   MET  51          2HE       MET  51   4.268   4.537   4.557
  389    H    HIS  52           H        HIS  52   3.528  10.998   8.611
  390    HA   HIS  52           HA       HIS  52   0.778  12.026   8.533
  391   1HB   HIS  52          1HB       HIS  52   3.221  13.095   9.955
  392   2HB   HIS  52          2HB       HIS  52   1.609  13.828   9.996
  393    HD1  HIS  52           HD1      HIS  52   3.459  11.725  12.212
  394    HD2  HIS  52           HD2      HIS  52  -0.338  11.472  10.412
  395    HE1  HIS  52           HE1      HIS  52   2.114  10.025  13.578
  396    H    LYS  53           H        LYS  53   3.927  12.985   6.983
  397    HA   LYS  53           HA       LYS  53   2.638  15.333   5.748
  398   1HB   LYS  53          1HB       LYS  53   5.021  15.385   5.653
  399   2HB   LYS  53          2HB       LYS  53   5.093  13.770   4.968
  400   1HG   LYS  53          1HG       LYS  53   3.875  14.657   2.896
  401   2HG   LYS  53          2HG       LYS  53   3.909  16.253   3.645
  402   1HD   LYS  53          1HD       LYS  53   5.622  16.296   2.102
  403   2HD   LYS  53          2HD       LYS  53   6.512  15.926   3.605
  404   1HE   LYS  53          1HE       LYS  53   5.660  14.003   1.414
  405   2HE   LYS  53          2HE       LYS  53   7.267  14.666   1.640
  406   1HZ   LYS  53          3HZ       LYS  53   7.221  13.558   3.910
  407   2HZ   LYS  53          1HZ       LYS  53   5.876  12.766   3.424
  408   3HZ   LYS  53          2HZ       LYS  53   7.248  12.555   2.619
  409    H    THR  54           H        THR  54   3.047  11.902   4.855
  410    HA   THR  54           HA       THR  54   1.532  11.988   2.543
  411    HB   THR  54           HB       THR  54   2.276   9.896   4.523
  412    HG1  THR  54           HG1      THR  54   3.770  10.675   3.119
  413   1HG2  THR  54          1HG2      THR  54   0.414   9.443   2.164
  414   2HG2  THR  54          2HG2      THR  54   1.445   8.172   2.855
  415   3HG2  THR  54          3HG2      THR  54   0.186   8.943   3.839
  416    H    GLU  55           H        GLU  55   0.232  11.810   5.924
  417    HA   GLU  55           HA       GLU  55  -2.505  11.552   5.219
  418   1HB   GLU  55          1HB       GLU  55  -1.482  11.433   7.527
  419   2HB   GLU  55          2HB       GLU  55  -1.347  13.181   7.530
  420   1HG   GLU  55          1HG       GLU  55  -3.688  13.531   7.488
  421   2HG   GLU  55          2HG       GLU  55  -4.026  11.844   7.108
  422    H    ALA  56           H        ALA  56  -0.477  14.490   5.551
  423    HA   ALA  56           HA       ALA  56  -2.566  16.303   4.717
  424   1HB   ALA  56          2HB       ALA  56  -0.507  17.070   5.874
  425   2HB   ALA  56          3HB       ALA  56   0.450  16.657   4.430
  426   3HB   ALA  56          1HB       ALA  56  -0.782  17.922   4.340
  427    H    ASN  57           H        ASN  57  -0.012  14.596   2.886
  428    HA   ASN  57           HA       ASN  57  -0.603  15.651   0.357
  429   1HB   ASN  57          1HB       ASN  57   0.588  12.983   1.128
  430   2HB   ASN  57          2HB       ASN  57   0.382  13.433  -0.524
  431   1HD2  ASN  57          2HD2      ASN  57   3.711  14.728  -0.312
  432   2HD2  ASN  57          1HD2      ASN  57   2.764  13.360  -0.872
  433    H    VAL  58           H        VAL  58  -2.123  12.789   1.957
  434    HA   VAL  58           HA       VAL  58  -3.868  12.268  -0.256
  435    HB   VAL  58           HB       VAL  58  -4.198  11.456   2.656
  436   1HG1  VAL  58          1HG1      VAL  58  -5.665  10.571   0.127
  437   2HG1  VAL  58          2HG1      VAL  58  -5.792   9.758   1.703
  438   3HG1  VAL  58          3HG1      VAL  58  -6.383  11.421   1.506
  439   1HG2  VAL  58          3HG2      VAL  58  -3.175  10.035   0.150
  440   2HG2  VAL  58          1HG2      VAL  58  -2.260  10.373   1.631
  441   3HG2  VAL  58          2HG2      VAL  58  -3.565   9.190   1.658
  442    H    ALA  59           H        ALA  59  -4.266  14.322   2.686
  443    HA   ALA  59           HA       ALA  59  -6.906  15.216   2.012
  444   1HB   ALA  59          3HB       ALA  59  -5.845  15.590   4.229
  445   2HB   ALA  59          1HB       ALA  59  -4.721  16.748   3.481
  446   3HB   ALA  59          2HB       ALA  59  -6.458  17.092   3.502
  447    H    ARG  60           H        ARG  60  -3.789  15.986   0.609
  448    HA   ARG  60           HA       ARG  60  -4.770  18.269  -0.845
  449   1HB   ARG  60          1HB       ARG  60  -2.140  16.917  -0.554
  450   2HB   ARG  60          2HB       ARG  60  -2.344  17.758  -2.024
  451   1HG   ARG  60          1HG       ARG  60  -2.699  18.907   0.821
  452   2HG   ARG  60          2HG       ARG  60  -1.252  19.072  -0.186
  453   1HD   ARG  60          1HD       ARG  60  -3.768  20.605  -0.282
  454   2HD   ARG  60          2HD       ARG  60  -2.168  21.054  -0.863
  455    HE   ARG  60           HE       ARG  60  -4.252  19.472  -2.309
  456   1HH1  ARG  60          2HH2      ARG  60  -1.075  21.116  -2.651
  457   2HH1  ARG  60          1HH2      ARG  60  -0.718  20.150  -4.021
  458   1HH2  ARG  60          2HH1      ARG  60  -3.841  18.522  -4.203
  459   2HH2  ARG  60          1HH1      ARG  60  -2.336  18.763  -5.012
  460    H    ASP  61           H        ASP  61  -4.007  14.934  -1.733
  461    HA   ASP  61           HA       ASP  61  -5.943  15.188  -3.925
  462   1HB   ASP  61          1HB       ASP  61  -3.758  15.931  -4.929
  463   2HB   ASP  61          2HB       ASP  61  -3.112  14.328  -4.600
  464    H    GLU  62           H        GLU  62  -6.766  13.184  -4.556
  465    HA   GLU  62           HA       GLU  62  -6.522  11.019  -2.556
  466   1HB   GLU  62          1HB       GLU  62  -8.356   9.938  -3.789
  467   2HB   GLU  62          2HB       GLU  62  -8.739  11.554  -3.261
  468   1HG   GLU  62          1HG       GLU  62  -9.689  11.539  -5.343
  469   2HG   GLU  62          2HG       GLU  62  -8.162  12.325  -5.692
  470    H    ARG  63           H        ARG  63  -5.183  11.929  -5.571
  471    HA   ARG  63           HA       ARG  63  -4.780   9.476  -6.823
  472   1HB   ARG  63          1HB       ARG  63  -3.245  12.098  -6.750
  473   2HB   ARG  63          2HB       ARG  63  -2.669  10.823  -7.786
  474   1HG   ARG  63          1HG       ARG  63  -5.428  12.104  -8.053
  475   2HG   ARG  63          2HG       ARG  63  -3.965  12.642  -8.885
  476   1HD   ARG  63          1HD       ARG  63  -4.803  11.281 -10.465
  477   2HD   ARG  63          2HD       ARG  63  -3.720  10.164  -9.616
  478    HE   ARG  63           HE       ARG  63  -6.629  10.431  -8.918
  479   1HH1  ARG  63          2HH2      ARG  63  -3.923   8.229  -9.424
  480   2HH1  ARG  63          1HH2      ARG  63  -4.708   6.983  -8.482
  481   1HH2  ARG  63          2HH1      ARG  63  -7.603   8.853  -7.985
  482   2HH2  ARG  63          1HH1      ARG  63  -7.033   7.236  -7.852
  483    H    VAL  64           H        VAL  64  -3.635   7.634  -6.241
  484    HA   VAL  64           HA       VAL  64  -0.912   8.202  -5.271
  485    HB   VAL  64           HB       VAL  64  -0.921   6.534  -3.596
  486   1HG1  VAL  64          2HG1      VAL  64  -1.767   8.872  -3.013
  487   2HG1  VAL  64          3HG1      VAL  64  -3.391   8.204  -3.006
  488   3HG1  VAL  64          1HG1      VAL  64  -2.154   7.591  -1.874
  489   1HG2  VAL  64          2HG2      VAL  64  -2.569   4.920  -4.496
  490   2HG2  VAL  64          3HG2      VAL  64  -2.947   5.351  -2.825
  491   3HG2  VAL  64          1HG2      VAL  64  -3.880   6.073  -4.153
  492    H    LEU  65           H        LEU  65   0.553   6.530  -5.455
  493    HA   LEU  65           HA       LEU  65   0.059   4.533  -7.632
  494   1HB   LEU  65          1HB       LEU  65   1.816   6.473  -8.017
  495   2HB   LEU  65          2HB       LEU  65   2.721   5.658  -6.740
  496    HG   LEU  65           HG       LEU  65   2.607   3.532  -8.192
  497   1HD1  LEU  65          1HD1      LEU  65   0.835   4.383  -9.761
  498   2HD1  LEU  65          2HD1      LEU  65   1.969   5.617 -10.341
  499   3HD1  LEU  65          3HD1      LEU  65   2.307   3.889 -10.602
  500   1HD2  LEU  65          3HD2      LEU  65   4.176   5.969  -9.139
  501   2HD2  LEU  65          1HD2      LEU  65   4.650   4.843  -7.849
  502   3HD2  LEU  65          2HD2      LEU  65   4.560   4.276  -9.517
  503    H    MET  66           H        MET  66   1.008   2.369  -6.990
  504    HA   MET  66           HA       MET  66   2.096   2.217  -4.259
  505   1HB   MET  66          1HB       MET  66  -0.385   1.963  -4.078
  506   2HB   MET  66          2HB       MET  66  -0.305   0.567  -5.150
  507   1HG   MET  66          1HG       MET  66   0.982  -0.668  -3.443
  508   2HG   MET  66          2HG       MET  66   1.024   0.781  -2.422
  509   1HE   MET  66          2HE       MET  66  -0.201  -0.272  -0.230
  510   2HE   MET  66          3HE       MET  66  -1.756  -1.110  -0.295
  511   3HE   MET  66          1HE       MET  66  -0.321  -1.908  -0.947
  512    H    THR  67           H        THR  67   3.825   0.730  -4.299
  513    HA   THR  67           HA       THR  67   3.898  -1.114  -6.646
  514    HB   THR  67           HB       THR  67   6.270  -0.688  -6.903
  515    HG1  THR  67           HG1      THR  67   6.368   0.011  -4.525
  516   1HG2  THR  67          1HG2      THR  67   4.742   0.981  -8.058
  517   2HG2  THR  67          2HG2      THR  67   5.000   2.087  -6.691
  518   3HG2  THR  67          3HG2      THR  67   6.369   1.603  -7.694
  519    H    LEU  68           H        LEU  68   4.301  -3.243  -5.947
  520    HA   LEU  68           HA       LEU  68   5.427  -3.542  -3.222
  521   1HB   LEU  68          1HB       LEU  68   4.163  -5.311  -2.608
  522   2HB   LEU  68          2HB       LEU  68   2.994  -4.107  -3.132
  523    HG   LEU  68           HG       LEU  68   3.865  -6.339  -5.029
  524   1HD1  LEU  68          3HD1      LEU  68   3.274  -7.423  -2.884
  525   2HD1  LEU  68          1HD1      LEU  68   1.741  -6.549  -2.877
  526   3HD1  LEU  68          2HD1      LEU  68   2.069  -7.755  -4.145
  527   1HD2  LEU  68          2HD2      LEU  68   2.423  -4.473  -5.861
  528   2HD2  LEU  68          3HD2      LEU  68   1.592  -6.044  -5.885
  529   3HD2  LEU  68          1HD2      LEU  68   1.226  -4.859  -4.613
  530    H    GLY  69           H        GLY  69   6.510  -5.661  -2.875
  531   1HA   GLY  69          1HA       GLY  69   7.084  -7.333  -5.115
  532   2HA   GLY  69          2HA       GLY  69   8.466  -6.277  -4.728
  533    H    SER  70           H        SER  70   9.124  -8.797  -4.379
  534    HA   SER  70           HA       SER  70   9.208  -9.162  -1.470
  535   1HB   SER  70          1HB       SER  70   7.145 -10.372  -2.108
  536   2HB   SER  70          2HB       SER  70   8.044 -11.267  -3.346
  537    HG   SER  70           HG       SER  70   8.120 -11.495  -0.522
  538    H    ARG  71           H        ARG  71  10.566 -11.091  -1.023
  539    HA   ARG  71           HA       ARG  71  13.033 -11.140  -2.724
  540   1HB   ARG  71          1HB       ARG  71  12.498 -12.104   0.133
  541   2HB   ARG  71          2HB       ARG  71  14.070 -12.049  -0.658
  542   1HG   ARG  71          1HG       ARG  71  14.111  -9.623  -0.581
  543   2HG   ARG  71          2HG       ARG  71  12.443  -9.550   0.033
  544   1HD   ARG  71          1HD       ARG  71  13.023 -10.637   2.085
  545   2HD   ARG  71          2HD       ARG  71  14.619 -11.085   1.487
  546    HE   ARG  71           HE       ARG  71  15.255  -8.748   1.463
  547   1HH1  ARG  71          2HH2      ARG  71  12.339  -9.406   3.452
  548   2HH1  ARG  71          1HH2      ARG  71  12.751  -8.296   4.673
  549   1HH2  ARG  71          2HH1      ARG  71  15.773  -7.209   3.100
  550   2HH2  ARG  71          1HH1      ARG  71  14.746  -7.014   4.473
  551    H    LYS  72           H        LYS  72  10.189 -12.945  -2.140
  552    HA   LYS  72           HA       LYS  72  11.555 -15.564  -2.154
  553   1HB   LYS  72          1HB       LYS  72   8.589 -14.963  -1.855
  554   2HB   LYS  72          2HB       LYS  72   9.417 -16.503  -1.556
  555   1HG   LYS  72          1HG       LYS  72  10.843 -15.272   0.180
  556   2HG   LYS  72          2HG       LYS  72   9.745 -13.896  -0.020
  557   1HD   LYS  72          1HD       LYS  72   7.853 -15.571   0.548
  558   2HD   LYS  72          2HD       LYS  72   9.135 -16.627   1.152
  559   1HE   LYS  72          1HE       LYS  72   8.559 -13.744   1.985
  560   2HE   LYS  72          2HE       LYS  72   8.196 -15.179   2.961
  561   1HZ   LYS  72          3HZ       LYS  72  10.934 -14.460   2.124
  562   2HZ   LYS  72          1HZ       LYS  72  10.295 -13.828   3.442
  563   3HZ   LYS  72          2HZ       LYS  72  10.498 -15.476   3.359
  564    H    VAL  73           H        VAL  73  10.431 -13.541  -4.691
  565    HA   VAL  73           HA       VAL  73  10.225 -15.922  -6.406
  566    HB   VAL  73           HB       VAL  73   8.289 -13.578  -6.502
  567   1HG1  VAL  73          3HG1      VAL  73   8.810 -14.475  -8.753
  568   2HG1  VAL  73          1HG1      VAL  73   8.415 -16.116  -8.195
  569   3HG1  VAL  73          2HG1      VAL  73   7.156 -14.867  -8.285
  570   1HG2  VAL  73          3HG2      VAL  73   7.789 -16.467  -5.686
  571   2HG2  VAL  73          1HG2      VAL  73   7.629 -15.027  -4.657
  572   3HG2  VAL  73          2HG2      VAL  73   6.520 -15.264  -6.006
  573    H    ALA  74           H        ALA  74  11.319 -15.565  -8.328
  574    HA   ALA  74           HA       ALA  74  13.190 -13.337  -8.309
  575   1HB   ALA  74          2HB       ALA  74  13.981 -15.622  -8.857
  576   2HB   ALA  74          3HB       ALA  74  12.856 -15.678 -10.240
  577   3HB   ALA  74          1HB       ALA  74  14.200 -14.522 -10.235
  578    H    GLY  75           H        GLY  75  13.106 -11.539  -9.604
  579   1HA   GLY  75          1HA       GLY  75  10.977 -11.371 -11.673
  580   2HA   GLY  75          2HA       GLY  75  11.461 -10.035 -10.606
  581    H    ARG  76           H        ARG  76  12.303  -8.638 -11.960
  582    HA   ARG  76           HA       ARG  76  14.365  -9.465 -13.933
  583   1HB   ARG  76          1HB       ARG  76  12.810  -6.881 -13.467
  584   2HB   ARG  76          2HB       ARG  76  14.268  -6.946 -14.470
  585   1HG   ARG  76          1HG       ARG  76  13.273  -8.555 -15.981
  586   2HG   ARG  76          2HG       ARG  76  11.868  -8.771 -14.934
  587   1HD   ARG  76          1HD       ARG  76  11.400  -7.378 -16.933
  588   2HD   ARG  76          2HD       ARG  76  11.031  -6.594 -15.411
  589    HE   ARG  76           HE       ARG  76  13.328  -6.038 -17.216
  590   1HH1  ARG  76          2HH2      ARG  76  11.231  -4.912 -14.558
  591   2HH1  ARG  76          1HH2      ARG  76  12.032  -3.408 -14.349
  592   1HH2  ARG  76          1HH1      ARG  76  13.808  -2.834 -15.839
  593   2HH2  ARG  76          2HH1      ARG  76  14.350  -3.971 -17.015
  594    H    ASN  77           H        ASN  77  13.913  -7.171 -11.125
  595    HA   ASN  77           HA       ASN  77  16.836  -6.820 -11.141
  596   1HB   ASN  77          1HB       ASN  77  16.566  -5.274  -9.417
  597   2HB   ASN  77          2HB       ASN  77  15.331  -4.912 -10.599
  598   1HD2  ASN  77          2HD2      ASN  77  12.878  -6.281  -8.034
  599   2HD2  ASN  77          1HD2      ASN  77  13.075  -6.670  -9.696
  600    H    GLY  78           H        GLY  78  17.743  -8.791 -10.668
  601   1HA   GLY  78          1HA       GLY  78  18.611 -10.426  -9.279
  602   2HA   GLY  78          2HA       GLY  78  18.028  -9.484  -7.891
  603    HA   PRO  79           HA       PRO  79  15.263 -13.191  -8.171
  604   1HB   PRO  79          1HB       PRO  79  15.864 -14.472  -5.868
  605   2HB   PRO  79          2HB       PRO  79  16.915 -14.591  -7.314
  606   1HG   PRO  79          1HG       PRO  79  17.258 -12.732  -4.929
  607   2HG   PRO  79          2HG       PRO  79  18.482 -13.821  -5.658
  608   1HD   PRO  79          1HD       PRO  79  18.257 -11.153  -6.314
  609   2HD   PRO  79          2HD       PRO  79  18.800 -12.388  -7.492
  610    H    GLY  80           H        GLY  80  14.334 -10.764  -7.861
  611   1HA   GLY  80          1HA       GLY  80  12.423 -10.968  -5.637
  612   2HA   GLY  80          2HA       GLY  80  13.431  -9.504  -5.722
  613    H    THR  81           H        THR  81  10.450 -10.681  -6.652
  614    HA   THR  81           HA       THR  81  10.430  -8.843  -9.000
  615    HB   THR  81           HB       THR  81   9.929 -11.332  -9.408
  616    HG1  THR  81           HG1      THR  81   9.260  -9.271 -10.626
  617   1HG2  THR  81          3HG2      THR  81   8.372 -11.604  -7.468
  618   2HG2  THR  81          1HG2      THR  81   7.179 -10.636  -8.357
  619   3HG2  THR  81          2HG2      THR  81   7.750 -12.174  -9.033
  620    H    GLY  82           H        GLY  82   8.258  -7.787  -9.391
  621   1HA   GLY  82          1HA       GLY  82   6.451  -7.452  -7.163
  622   2HA   GLY  82          2HA       GLY  82   7.595  -6.107  -7.339
  623    H    PHE  83           H        PHE  83   5.246  -5.238  -7.542
  624    HA   PHE  83           HA       PHE  83   4.378  -5.153 -10.381
  625   1HB   PHE  83          1HB       PHE  83   2.692  -5.499  -7.870
  626   2HB   PHE  83          2HB       PHE  83   2.023  -4.931  -9.379
  627    HD1  PHE  83           HD1      PHE  83   3.980  -7.877  -8.008
  628    HD2  PHE  83           HD2      PHE  83   1.011  -6.455 -10.798
  629    HE1  PHE  83           HE1      PHE  83   3.672 -10.179  -8.859
  630    HE2  PHE  83           HE2      PHE  83   0.696  -8.764 -11.631
  631    HZ   PHE  83           HZ       PHE  83   2.092 -10.609 -10.722
  632    H    LEU  84           H        LEU  84   3.561  -3.259 -11.041
  633    HA   LEU  84           HA       LEU  84   3.953  -0.783  -9.428
  634   1HB   LEU  84          1HB       LEU  84   5.260  -0.930 -11.522
  635   2HB   LEU  84          2HB       LEU  84   3.822  -1.367 -12.429
  636    HG   LEU  84           HG       LEU  84   4.663   0.918 -12.790
  637   1HD1  LEU  84          1HD1      LEU  84   2.257   0.333 -13.219
  638   2HD1  LEU  84          2HD1      LEU  84   1.847   1.119 -11.681
  639   3HD1  LEU  84          3HD1      LEU  84   2.608   2.049 -12.976
  640   1HD2  LEU  84          1HD2      LEU  84   5.345   1.408 -10.448
  641   2HD2  LEU  84          2HD2      LEU  84   4.395   2.686 -11.215
  642   3HD2  LEU  84          3HD2      LEU  84   3.625   1.617 -10.025
  643    H    ILE  85           H        ILE  85   1.960   0.165  -8.795
  644    HA   ILE  85           HA       ILE  85  -0.449  -0.667 -10.272
  645    HB   ILE  85           HB       ILE  85  -0.271  -0.591  -7.220
  646   1HG1  ILE  85          1HG1      ILE  85   0.167  -2.969  -9.066
  647   2HG1  ILE  85          2HG1      ILE  85   1.262  -2.345  -7.848
  648   1HG2  ILE  85          2HG2      ILE  85  -2.305  -1.672  -9.203
  649   2HG2  ILE  85          3HG2      ILE  85  -2.394  -1.934  -7.458
  650   3HG2  ILE  85          1HG2      ILE  85  -2.510  -0.317  -8.094
  651   1HD1  ILE  85          2HD1      ILE  85  -0.268  -3.054  -6.055
  652   2HD1  ILE  85          3HD1      ILE  85  -1.336  -3.797  -7.279
  653   3HD1  ILE  85          1HD1      ILE  85   0.301  -4.387  -7.091
  654    H    ARG  86           H        ARG  86  -2.210   0.811  -9.986
  655    HA   ARG  86           HA       ARG  86  -1.536   3.559  -8.976
  656   1HB   ARG  86          1HB       ARG  86  -3.357   2.744 -11.278
  657   2HB   ARG  86          2HB       ARG  86  -3.093   4.400 -10.731
  658   1HG   ARG  86          1HG       ARG  86  -0.877   4.475 -11.602
  659   2HG   ARG  86          2HG       ARG  86  -0.758   2.719 -11.711
  660   1HD   ARG  86          1HD       ARG  86  -2.768   2.891 -13.390
  661   2HD   ARG  86          2HD       ARG  86  -2.327   4.598 -13.491
  662    HE   ARG  86           HE       ARG  86  -0.520   4.012 -14.770
  663   1HH1  ARG  86          2HH2      ARG  86  -1.501   0.997 -12.990
  664   2HH1  ARG  86          1HH2      ARG  86  -0.535   0.009 -14.016
  665   1HH2  ARG  86          2HH1      ARG  86   0.827   2.543 -16.026
  666   2HH2  ARG  86          1HH1      ARG  86   0.811   0.866 -15.603
  667    H    GLY  87           H        GLY  87  -3.267   4.558  -7.739
  668   1HA   GLY  87          1HA       GLY  87  -5.855   3.285  -7.545
  669   2HA   GLY  87          2HA       GLY  87  -4.815   3.020  -6.135
  670    H    SER  88           H        SER  88  -6.772   4.206  -5.290
  671    HA   SER  88           HA       SER  88  -6.253   7.132  -5.076
  672   1HB   SER  88          1HB       SER  88  -8.819   5.502  -4.720
  673   2HB   SER  88          2HB       SER  88  -8.664   7.251  -4.462
  674    HG   SER  88           HG       SER  88  -8.695   7.606  -6.450
  675    H    ALA  89           H        ALA  89  -6.141   7.837  -2.801
  676    HA   ALA  89           HA       ALA  89  -6.179   5.615  -0.793
  677   1HB   ALA  89          2HB       ALA  89  -4.541   8.167  -0.790
  678   2HB   ALA  89          3HB       ALA  89  -4.636   7.016   0.558
  679   3HB   ALA  89          1HB       ALA  89  -3.945   6.494  -0.983
  680    H    ALA  90           H        ALA  90  -6.946   6.147   1.338
  681    HA   ALA  90           HA       ALA  90  -8.295   8.717   1.795
  682   1HB   ALA  90          3HB       ALA  90  -9.850   6.086   1.679
  683   2HB   ALA  90          1HB       ALA  90 -10.476   7.625   2.306
  684   3HB   ALA  90          2HB       ALA  90 -10.048   7.481   0.592
  685    H    PHE  91           H        PHE  91  -7.544   9.199   3.848
  686    HA   PHE  91           HA       PHE  91  -6.825   7.108   5.761
  687   1HB   PHE  91          1HB       PHE  91  -6.962  10.134   5.840
  688   2HB   PHE  91          2HB       PHE  91  -6.796   9.194   7.307
  689    HD1  PHE  91           HD1      PHE  91  -5.085   9.065   3.869
  690    HD2  PHE  91           HD2      PHE  91  -4.692   9.275   8.173
  691    HE1  PHE  91           HE1      PHE  91  -2.609   8.993   3.682
  692    HE2  PHE  91           HE2      PHE  91  -2.278   9.261   7.944
  693    HZ   PHE  91           HZ       PHE  91  -1.199   9.059   5.712
  694    H    ARG  92           H        ARG  92  -8.150   6.175   7.182
  695    HA   ARG  92           HA       ARG  92 -10.706   7.388   8.064
  696   1HB   ARG  92          1HB       ARG  92 -10.165   4.547   7.110
  697   2HB   ARG  92          2HB       ARG  92 -11.405   4.850   8.298
  698   1HG   ARG  92          1HG       ARG  92 -11.979   4.624   5.715
  699   2HG   ARG  92          2HG       ARG  92 -12.900   5.657   6.816
  700   1HD   ARG  92          1HD       ARG  92 -11.600   7.579   6.169
  701   2HD   ARG  92          2HD       ARG  92 -10.685   6.607   4.971
  702    HE   ARG  92           HE       ARG  92 -13.361   6.383   4.302
  703   1HH1  ARG  92          2HH2      ARG  92 -11.076   9.049   4.910
  704   2HH1  ARG  92          1HH2      ARG  92 -11.798  10.167   3.816
  705   1HH2  ARG  92          2HH1      ARG  92 -14.388   7.905   2.809
  706   2HH2  ARG  92          1HH1      ARG  92 -13.729   9.482   2.579
  707    H    THR  93           H        THR  93 -11.063   7.222  10.258
  708    HA   THR  93           HA       THR  93  -9.125   5.703  11.925
  709    HB   THR  93           HB       THR  93  -9.724   7.508  13.618
  710    HG1  THR  93           HG1      THR  93 -11.517   8.401  12.797
  711   1HG2  THR  93          1HG2      THR  93  -7.600   7.608  12.377
  712   2HG2  THR  93          2HG2      THR  93  -8.386   8.524  11.068
  713   3HG2  THR  93          3HG2      THR  93  -8.247   9.224  12.693
  714    H    ASP  94           H        ASP  94 -11.539   4.647  10.555
  715    HA   ASP  94           HA       ASP  94 -13.182   3.743  12.760
  716   1HB   ASP  94          1HB       ASP  94 -14.237   5.895  12.342
  717   2HB   ASP  94          2HB       ASP  94 -14.107   5.688  10.593
  718    H    GLY  95           H        GLY  95 -14.821   2.254  11.825
  719   1HA   GLY  95          1HA       GLY  95 -15.661   0.713  10.429
  720   2HA   GLY  95          2HA       GLY  95 -14.594   1.293   9.139
  721    HA   PRO  96           HA       PRO  96 -13.391  -3.021  10.627
  722   1HB   PRO  96          1HB       PRO  96 -13.602  -4.306   8.190
  723   2HB   PRO  96          2HB       PRO  96 -14.906  -4.167   9.409
  724   1HG   PRO  96          1HG       PRO  96 -14.432  -2.412   6.981
  725   2HG   PRO  96          2HG       PRO  96 -15.968  -3.168   7.523
  726   1HD   PRO  96          1HD       PRO  96 -15.420  -0.591   8.102
  727   2HD   PRO  96          2HD       PRO  96 -16.173  -1.643   9.341
  728    H    GLU  97           H        GLU  97 -12.331  -0.675   8.433
  729    HA   GLU  97           HA       GLU  97  -9.822  -1.838   7.548
  730   1HB   GLU  97          1HB       GLU  97 -10.623   1.070   7.674
  731   2HB   GLU  97          2HB       GLU  97  -9.327   0.347   6.732
  732   1HG   GLU  97          1HG       GLU  97 -12.321  -0.026   6.344
  733   2HG   GLU  97          2HG       GLU  97 -11.226   0.910   5.360
  734    H    PHE  98           H        PHE  98 -10.784   0.729   9.878
  735    HA   PHE  98           HA       PHE  98  -8.253   0.796  11.159
  736   1HB   PHE  98          1HB       PHE  98  -9.976   2.654  11.013
  737   2HB   PHE  98          2HB       PHE  98 -10.863   1.815  12.284
  738    HD1  PHE  98           HD1      PHE  98  -7.179   2.568  11.702
  739    HD2  PHE  98           HD2      PHE  98 -10.601   3.066  14.289
  740    HE1  PHE  98           HE1      PHE  98  -5.750   3.667  13.389
  741    HE2  PHE  98           HE2      PHE  98  -9.175   4.238  15.928
  742    HZ   PHE  98           HZ       PHE  98  -6.726   4.525  15.490
  743    H    GLU  99           H        GLU  99 -11.232  -1.080  11.827
  744    HA   GLU  99           HA       GLU  99 -10.393  -2.105  14.338
  745   1HB   GLU  99          1HB       GLU  99 -12.042  -3.423  12.153
  746   2HB   GLU  99          2HB       GLU  99 -11.857  -4.068  13.774
  747   1HG   GLU  99          1HG       GLU  99 -13.077  -2.274  14.770
  748   2HG   GLU  99          2HG       GLU  99 -13.057  -1.322  13.283
  749    H    ALA 100           H        ALA 100 -10.041  -3.583  11.033
  750    HA   ALA 100           HA       ALA 100  -8.552  -5.808  12.060
  751   1HB   ALA 100          1HB       ALA 100  -8.945  -4.696   9.319
  752   2HB   ALA 100          2HB       ALA 100  -7.933  -6.144   9.611
  753   3HB   ALA 100          3HB       ALA 100  -9.664  -6.141  10.030
  754    H    ILE 101           H        ILE 101  -7.484  -2.530  11.146
  755    HA   ILE 101           HA       ILE 101  -4.691  -3.456  11.541
  756    HB   ILE 101           HB       ILE 101  -3.789  -1.515  10.872
  757   1HG1  ILE 101          1HG1      ILE 101  -5.280   0.426  10.059
  758   2HG1  ILE 101          2HG1      ILE 101  -6.432  -0.205  11.261
  759   1HG2  ILE 101          3HG2      ILE 101  -4.700  -2.991   9.123
  760   2HG2  ILE 101          1HG2      ILE 101  -6.141  -1.952   9.027
  761   3HG2  ILE 101          2HG2      ILE 101  -4.548  -1.304   8.614
  762   1HD1  ILE 101          3HD1      ILE 101  -3.569   0.611  11.871
  763   2HD1  ILE 101          1HD1      ILE 101  -4.956   1.698  12.017
  764   3HD1  ILE 101          2HD1      ILE 101  -4.860   0.271  13.051
  765    H    ALA 102           H        ALA 102  -7.202  -2.214  13.581
  766    HA   ALA 102           HA       ALA 102  -5.866  -1.085  15.673
  767   1HB   ALA 102          2HB       ALA 102  -8.356  -1.404  15.555
  768   2HB   ALA 102          3HB       ALA 102  -8.106  -3.089  16.086
  769   3HB   ALA 102          1HB       ALA 102  -7.632  -1.751  17.128
  770    H    ARG 103           H        ARG 103  -5.659  -4.375  14.649
  771    HA   ARG 103           HA       ARG 103  -4.615  -5.675  16.923
  772   1HB   ARG 103          1HB       ARG 103  -3.676  -7.285  15.442
  773   2HB   ARG 103          2HB       ARG 103  -5.199  -6.754  14.738
  774   1HG   ARG 103          1HG       ARG 103  -3.829  -5.240  13.173
  775   2HG   ARG 103          2HG       ARG 103  -2.376  -6.021  13.827
  776   1HD   ARG 103          1HD       ARG 103  -3.451  -8.257  13.209
  777   2HD   ARG 103          2HD       ARG 103  -4.668  -7.358  12.317
  778    HE   ARG 103           HE       ARG 103  -1.816  -7.760  11.691
  779   1HH1  ARG 103          2HH2      ARG 103  -4.728  -5.984  10.704
  780   2HH1  ARG 103          1HH2      ARG 103  -4.239  -5.873   9.039
  781   1HH2  ARG 103          2HH1      ARG 103  -1.248  -7.722   9.440
  782   2HH2  ARG 103          1HH1      ARG 103  -2.233  -6.916   8.294
  783    H    PHE 104           H        PHE 104  -3.013  -3.272  14.835
  784    HA   PHE 104           HA       PHE 104  -0.377  -3.700  16.131
  785   1HB   PHE 104          1HB       PHE 104  -1.341  -1.344  14.443
  786   2HB   PHE 104          2HB       PHE 104   0.326  -1.804  14.767
  787    HD1  PHE 104           HD2      PHE 104   0.867  -4.381  14.037
  788    HD2  PHE 104           HD1      PHE 104  -2.115  -1.815  12.303
  789    HE1  PHE 104           HE2      PHE 104   0.871  -5.775  11.985
  790    HE2  PHE 104           HE1      PHE 104  -2.144  -3.237  10.254
  791    HZ   PHE 104           HZ       PHE 104  -0.669  -5.199  10.105
  792    H    LYS 105           H        LYS 105   0.511  -1.492  17.421
  793    HA   LYS 105           HA       LYS 105  -1.831   0.014  18.474
  794   1HB   LYS 105          1HB       LYS 105  -0.961  -2.037  19.788
  795   2HB   LYS 105          2HB       LYS 105   0.545  -1.147  19.946
  796   1HG   LYS 105          1HG       LYS 105  -0.362  -0.689  21.858
  797   2HG   LYS 105          2HG       LYS 105  -1.000   0.726  21.042
  798   1HD   LYS 105          1HD       LYS 105  -2.507  -1.858  21.703
  799   2HD   LYS 105          2HD       LYS 105  -2.695  -0.289  22.459
  800   1HE   LYS 105          1HE       LYS 105  -4.494  -0.122  21.142
  801   2HE   LYS 105          2HE       LYS 105  -3.331   0.487  19.969
  802   1HZ   LYS 105          3HZ       LYS 105  -4.280  -2.341  20.101
  803   2HZ   LYS 105          1HZ       LYS 105  -4.837  -1.230  19.052
  804   3HZ   LYS 105          2HZ       LYS 105  -3.325  -1.710  18.925
  805    H    TRP 106           H        TRP 106   0.975   0.334  16.697
  806    HA   TRP 106           HA       TRP 106   1.627   3.002  17.814
  807   1HB   TRP 106          1HB       TRP 106   3.484   2.756  16.068
  808   2HB   TRP 106          2HB       TRP 106   3.550   1.703  17.460
  809    HD1  TRP 106           HD1      TRP 106   3.895  -0.754  17.029
  810    HE1  TRP 106           HE1      TRP 106   3.963  -2.298  14.983
  811    HE3  TRP 106           HE3      TRP 106   2.108   2.481  13.473
  812    HZ2  TRP 106           HZ2      TRP 106   3.362  -2.145  12.146
  813    HZ3  TRP 106           HZ3      TRP 106   1.883   1.778  11.136
  814    HH2  TRP 106           HH2      TRP 106   2.634  -0.522  10.447
  815    H    ALA 107           H        ALA 107  -0.859   1.964  16.036
  816    HA   ALA 107           HA       ALA 107  -0.469   3.670  13.655
  817   1HB   ALA 107          2HB       ALA 107  -1.375   1.381  13.303
  818   2HB   ALA 107          3HB       ALA 107  -2.732   1.762  14.398
  819   3HB   ALA 107          1HB       ALA 107  -2.548   2.643  12.868
  820    H    ARG 108           H        ARG 108  -1.825   5.378  13.262
  821    HA   ARG 108           HA       ARG 108  -3.659   6.314  15.417
  822   1HB   ARG 108          1HB       ARG 108  -1.627   7.668  15.241
  823   2HB   ARG 108          2HB       ARG 108  -1.869   7.870  13.500
  824   1HG   ARG 108          1HG       ARG 108  -3.864   9.192  13.869
  825   2HG   ARG 108          2HG       ARG 108  -3.808   8.911  15.615
  826   1HD   ARG 108          1HD       ARG 108  -2.053  10.400  15.939
  827   2HD   ARG 108          2HD       ARG 108  -1.364  10.124  14.338
  828    HE   ARG 108           HE       ARG 108  -3.452  12.049  15.059
  829   1HH1  ARG 108          2HH2      ARG 108  -1.613  10.529  12.379
  830   2HH1  ARG 108          1HH2      ARG 108  -2.670  11.181  11.166
  831   1HH2  ARG 108          2HH1      ARG 108  -4.516  13.287  13.269
  832   2HH2  ARG 108          1HH1      ARG 108  -3.998  12.909  11.653
  833    H    ALA 109           H        ALA 109  -3.475   5.151  12.164
  834    HA   ALA 109           HA       ALA 109  -6.274   5.659  11.649
  835   1HB   ALA 109          2HB       ALA 109  -4.174   7.510  10.573
  836   2HB   ALA 109          3HB       ALA 109  -5.261   6.835   9.351
  837   3HB   ALA 109          1HB       ALA 109  -5.901   7.741  10.727
  838    H    ALA 110           H        ALA 110  -6.872   4.825   9.561
  839    HA   ALA 110           HA       ALA 110  -5.274   2.555   8.529
  840   1HB   ALA 110          3HB       ALA 110  -8.278   3.078   8.798
  841   2HB   ALA 110          1HB       ALA 110  -7.644   1.925   7.642
  842   3HB   ALA 110          2HB       ALA 110  -7.341   1.677   9.368
  843    H    LEU 111           H        LEU 111  -4.180   3.405   6.799
  844    HA   LEU 111           HA       LEU 111  -5.376   5.483   5.036
  845   1HB   LEU 111          1HB       LEU 111  -3.020   5.616   5.793
  846   2HB   LEU 111          2HB       LEU 111  -2.675   4.072   5.045
  847    HG   LEU 111           HG       LEU 111  -3.525   6.617   3.599
  848   1HD1  LEU 111          3HD1      LEU 111  -1.236   6.679   4.630
  849   2HD1  LEU 111          1HD1      LEU 111  -0.808   5.213   3.730
  850   3HD1  LEU 111          2HD1      LEU 111  -1.176   6.722   2.866
  851   1HD2  LEU 111          1HD2      LEU 111  -2.681   3.931   2.480
  852   2HD2  LEU 111          2HD2      LEU 111  -4.203   4.812   2.179
  853   3HD2  LEU 111          3HD2      LEU 111  -2.692   5.438   1.535
  854    H    VAL 112           H        VAL 112  -7.047   4.506   4.031
  855    HA   VAL 112           HA       VAL 112  -7.013   1.738   3.104
  856    HB   VAL 112           HB       VAL 112  -9.056   3.981   2.710
  857   1HG1  VAL 112          2HG1      VAL 112  -9.349   2.120   1.131
  858   2HG1  VAL 112          3HG1      VAL 112  -9.360   0.965   2.481
  859   3HG1  VAL 112          1HG1      VAL 112 -10.657   2.163   2.322
  860   1HG2  VAL 112          3HG2      VAL 112  -8.948   1.859   4.891
  861   2HG2  VAL 112          1HG2      VAL 112  -8.798   3.616   5.121
  862   3HG2  VAL 112          2HG2      VAL 112 -10.325   2.937   4.571
  863    H    ILE 113           H        ILE 113  -6.543   1.167   0.951
  864    HA   ILE 113           HA       ILE 113  -6.279   3.384  -0.992
  865    HB   ILE 113           HB       ILE 113  -4.474   0.935  -0.783
  866   1HG1  ILE 113          1HG1      ILE 113  -3.900   3.916  -0.415
  867   2HG1  ILE 113          2HG1      ILE 113  -3.967   2.701   0.868
  868   1HG2  ILE 113          1HG2      ILE 113  -4.479   3.198  -2.843
  869   2HG2  ILE 113          2HG2      ILE 113  -3.277   1.896  -2.745
  870   3HG2  ILE 113          3HG2      ILE 113  -4.928   1.505  -3.157
  871   1HD1  ILE 113          2HD1      ILE 113  -2.032   1.526  -0.115
  872   2HD1  ILE 113          3HD1      ILE 113  -1.869   2.839  -1.315
  873   3HD1  ILE 113          1HD1      ILE 113  -1.676   3.180   0.405
  874    H    THR 114           H        THR 114  -7.238   2.977  -2.928
  875    HA   THR 114           HA       THR 114  -8.573   0.350  -3.397
  876    HB   THR 114           HB       THR 114  -9.651   3.081  -4.198
  877    HG1  THR 114           HG1      THR 114  -9.752   2.784  -2.002
  878   1HG2  THR 114          1HG2      THR 114 -10.891   0.283  -4.271
  879   2HG2  THR 114          2HG2      THR 114 -11.700   1.809  -4.735
  880   3HG2  THR 114          3HG2      THR 114 -10.333   1.207  -5.676
  881    H    VAL 115           H        VAL 115  -7.321  -0.559  -4.857
  882    HA   VAL 115           HA       VAL 115  -5.512   0.788  -6.700
  883    HB   VAL 115           HB       VAL 115  -6.374  -2.038  -6.004
  884   1HG1  VAL 115          1HG1      VAL 115  -4.655  -1.316  -8.378
  885   2HG1  VAL 115          2HG1      VAL 115  -4.673  -2.914  -7.593
  886   3HG1  VAL 115          3HG1      VAL 115  -6.139  -2.283  -8.351
  887   1HG2  VAL 115          1HG2      VAL 115  -3.712  -0.585  -5.873
  888   2HG2  VAL 115          2HG2      VAL 115  -4.774  -0.994  -4.511
  889   3HG2  VAL 115          3HG2      VAL 115  -3.992  -2.285  -5.421
  890    H    VAL 116           H        VAL 116  -5.712   0.451  -9.025
  891    HA   VAL 116           HA       VAL 116  -8.458   0.094 -10.057
  892    HB   VAL 116           HB       VAL 116  -6.530   2.303 -10.892
  893   1HG1  VAL 116          2HG1      VAL 116  -7.834   1.402 -12.802
  894   2HG1  VAL 116          3HG1      VAL 116  -9.338   1.626 -11.888
  895   3HG1  VAL 116          1HG1      VAL 116  -8.371   3.033 -12.381
  896   1HG2  VAL 116          1HG2      VAL 116  -9.230   2.474  -9.475
  897   2HG2  VAL 116          2HG2      VAL 116  -7.664   2.894  -8.772
  898   3HG2  VAL 116          3HG2      VAL 116  -8.308   3.858 -10.100
  899    H    SER 117           H        SER 117  -4.938   0.473 -10.917
  900    HA   SER 117           HA       SER 117  -5.206  -2.018 -12.484
  901   1HB   SER 117          1HB       SER 117  -3.882   0.481 -13.612
  902   2HB   SER 117          2HB       SER 117  -4.196  -1.050 -14.445
  903    HG   SER 117           HG       SER 117  -5.827   0.257 -15.066
  904    H    ALA 118           H        ALA 118  -3.638  -3.374 -12.033
  905    HA   ALA 118           HA       ALA 118  -0.959  -2.511 -11.129
  906   1HB   ALA 118          1HB       ALA 118  -2.346  -3.841  -9.423
  907   2HB   ALA 118          2HB       ALA 118  -2.469  -5.126 -10.635
  908   3HB   ALA 118          3HB       ALA 118  -0.893  -4.705  -9.977
  909    H    GLU 119           H        GLU 119   0.772  -3.438 -12.162
  910    HA   GLU 119           HA       GLU 119   0.414  -5.780 -13.929
  911   1HB   GLU 119          1HB       GLU 119   1.763  -4.832 -15.653
  912   2HB   GLU 119          2HB       GLU 119   0.224  -4.005 -15.476
  913   1HG   GLU 119          1HG       GLU 119   2.449  -2.829 -13.881
  914   2HG   GLU 119          2HG       GLU 119   2.699  -2.863 -15.623
  915    H    GLN 120           H        GLN 120   2.503  -6.959 -14.254
  916    HA   GLN 120           HA       GLN 120   4.171  -6.759 -11.829
  917   1HB   GLN 120          1HB       GLN 120   3.280  -8.963 -12.776
  918   2HB   GLN 120          2HB       GLN 120   4.425  -8.768 -14.104
  919   1HG   GLN 120          1HG       GLN 120   6.314  -8.795 -12.555
  920   2HG   GLN 120          2HG       GLN 120   5.231  -8.720 -11.160
  921   1HE2  GLN 120          2HE2      GLN 120   6.397 -12.263 -11.632
  922   2HE2  GLN 120          1HE2      GLN 120   7.221 -10.737 -11.363
  923    H    THR 121           H        THR 121   6.296  -5.941 -11.935
  924    HA   THR 121           HA       THR 121   7.259  -5.051 -14.607
  925    HB   THR 121           HB       THR 121   7.765  -2.823 -13.588
  926    HG1  THR 121           HG1      THR 121   7.579  -3.190 -11.425
  927   1HG2  THR 121          2HG2      THR 121   5.764  -3.240 -15.063
  928   2HG2  THR 121          3HG2      THR 121   4.790  -3.439 -13.592
  929   3HG2  THR 121          1HG2      THR 121   5.590  -1.891 -13.933
  930    H    LEU 122           H        LEU 122   8.249  -5.329 -11.154
  931    HA   LEU 122           HA       LEU 122  11.066  -5.024 -12.045
  932   1HB   LEU 122          1HB       LEU 122  11.630  -4.439  -9.792
  933   2HB   LEU 122          2HB       LEU 122  10.367  -3.399 -10.398
  934    HG   LEU 122           HG       LEU 122   8.841  -5.297  -9.154
  935   1HD1  LEU 122          2HD1      LEU 122  10.802  -6.505  -8.234
  936   2HD1  LEU 122          3HD1      LEU 122  11.346  -5.007  -7.434
  937   3HD1  LEU 122          1HD1      LEU 122   9.835  -5.786  -6.939
  938   1HD2  LEU 122          2HD2      LEU 122   8.601  -2.887  -8.874
  939   2HD2  LEU 122          3HD2      LEU 122   8.581  -3.704  -7.309
  940   3HD2  LEU 122          1HD2      LEU 122  10.045  -2.845  -7.835
  941    HN3  FMN 123           HN3      FMN 123   2.349   2.570   8.739
  942    H6   FMN 123           H6       FMN 123   8.067  -0.499   6.158
  943   1HM7  FMN 123          1HM7      FMN 123  11.319  -0.529   5.653
  944   2HM7  FMN 123          2HM7      FMN 123   9.877  -0.932   4.676
  945   3HM7  FMN 123          3HM7      FMN 123  10.953   0.362   4.165
  946   1HM8  FMN 123          1HM8      FMN 123  11.506   2.698   4.455
  947   2HM8  FMN 123          2HM8      FMN 123  11.800   3.608   5.941
  948   3HM8  FMN 123          3HM8      FMN 123  12.307   1.916   5.841
  949    H9   FMN 123           H9       FMN 123   9.769   4.101   6.931
  950   1H1*  FMN 123          1H1*      FMN 123   7.562   5.053   9.570
  951   2H1*  FMN 123          2H1*      FMN 123   8.963   4.937   8.578
  952    H2*  FMN 123           H2*      FMN 123   7.882   7.094   8.353
  953   *HO2  FMN 123          *HO2      FMN 123   5.841   7.182   8.399
  954    H3*  FMN 123           H3*      FMN 123   7.798   5.398   5.859
  955   *HO3  FMN 123          *HO3      FMN 123   9.457   7.065   5.454
  956    H4*  FMN 123           H4*      FMN 123   6.196   7.019   5.289
  957   *HO4  FMN 123          *HO4      FMN 123   7.500   8.423   3.917
  958   1H5*  FMN 123          1H5*      FMN 123   6.473   8.804   7.047
  959   2H5*  FMN 123          2H5*      FMN 123   7.920   9.366   6.188
   
  No H/Q in entry =         959
  Start of MODEL    6
    1   1H    MET   1          3H        MET   1  -9.350  -8.220 -14.234
    2   2H    MET   1          1H        MET   1  -9.561  -9.698 -13.575
    3   3H    MET   1          2H        MET   1 -10.848  -8.644 -13.651
    4    HA   MET   1           HA       MET   1  -9.810  -7.156 -12.154
    5   1HB   MET   1          1HB       MET   1  -9.651  -9.963 -10.970
    6   2HB   MET   1          2HB       MET   1  -9.880  -8.435 -10.110
    7   1HG   MET   1          1HG       MET   1 -11.845  -9.918 -11.853
    8   2HG   MET   1          2HG       MET   1 -12.023  -9.364 -10.188
    9   1HE   MET   1          3HE       MET   1 -14.408  -8.970 -12.100
   10   2HE   MET   1          1HE       MET   1 -14.359  -8.271 -10.462
   11   3HE   MET   1          2HE       MET   1 -14.827  -7.263 -11.845
   12    H    LEU   2           H        LEU   2  -7.920  -7.756 -10.138
   13    HA   LEU   2           HA       LEU   2  -5.395  -7.394 -11.483
   14   1HB   LEU   2          1HB       LEU   2  -6.001  -8.163  -8.591
   15   2HB   LEU   2          2HB       LEU   2  -4.495  -7.492  -9.188
   16    HG   LEU   2           HG       LEU   2  -7.180  -6.067  -9.021
   17   1HD1  LEU   2          2HD1      LEU   2  -6.021  -6.327  -6.882
   18   2HD1  LEU   2          3HD1      LEU   2  -4.549  -5.606  -7.562
   19   3HD1  LEU   2          1HD1      LEU   2  -6.025  -4.637  -7.391
   20   1HD2  LEU   2          3HD2      LEU   2  -4.548  -4.961 -10.068
   21   2HD2  LEU   2          1HD2      LEU   2  -6.006  -5.252 -11.041
   22   3HD2  LEU   2          2HD2      LEU   2  -6.026  -4.028  -9.777
   23    HA   PRO   3           HA       PRO   3  -4.423 -11.613 -12.213
   24   1HB   PRO   3          1HB       PRO   3  -1.710 -11.850 -11.657
   25   2HB   PRO   3          2HB       PRO   3  -2.364 -11.004 -13.077
   26   1HG   PRO   3          1HG       PRO   3  -1.468  -9.809 -10.456
   27   2HG   PRO   3          2HG       PRO   3  -1.091  -9.252 -12.115
   28   1HD   PRO   3          1HD       PRO   3  -3.049  -8.098 -10.644
   29   2HD   PRO   3          2HD       PRO   3  -3.256  -8.341 -12.401
   30    H    GLY   4           H        GLY   4  -3.925 -13.725 -11.226
   31   1HA   GLY   4          1HA       GLY   4  -4.518 -13.974  -8.444
   32   2HA   GLY   4          2HA       GLY   4  -3.779 -15.232  -9.460
   33    H    THR   5           H        THR   5  -1.405 -13.854 -10.262
   34    HA   THR   5           HA       THR   5   0.402 -14.333  -8.293
   35    HB   THR   5           HB       THR   5   0.722 -12.242 -10.457
   36    HG1  THR   5           HG1      THR   5   1.042 -14.982 -10.954
   37   1HG2  THR   5          3HG2      THR   5   2.614 -14.404  -9.387
   38   2HG2  THR   5          1HG2      THR   5   2.985 -13.257 -10.695
   39   3HG2  THR   5          2HG2      THR   5   2.729 -12.669  -9.045
   40    H    PHE   6           H        PHE   6  -1.367 -11.225  -8.821
   41    HA   PHE   6           HA       PHE   6   0.147  -9.581  -7.049
   42   1HB   PHE   6          1HB       PHE   6  -1.433  -8.528  -8.428
   43   2HB   PHE   6          2HB       PHE   6  -2.719  -9.625  -7.991
   44    HD1  PHE   6           HD2      PHE   6  -0.725  -6.742  -6.677
   45    HD2  PHE   6           HD1      PHE   6  -4.209  -9.252  -6.254
   46    HE1  PHE   6           HE2      PHE   6  -1.691  -5.158  -5.010
   47    HE2  PHE   6           HE1      PHE   6  -5.162  -7.671  -4.617
   48    HZ   PHE   6           HZ       PHE   6  -3.923  -5.628  -4.003
   49    H    PHE   7           H        PHE   7  -2.628 -11.759  -6.366
   50    HA   PHE   7           HA       PHE   7  -2.568 -11.346  -3.537
   51   1HB   PHE   7          1HB       PHE   7  -3.762 -13.583  -5.202
   52   2HB   PHE   7          2HB       PHE   7  -3.901 -13.459  -3.456
   53    HD1  PHE   7           HD2      PHE   7  -5.018 -11.466  -2.391
   54    HD2  PHE   7           HD1      PHE   7  -5.153 -12.169  -6.648
   55    HE1  PHE   7           HE2      PHE   7  -6.923  -9.887  -2.594
   56    HE2  PHE   7           HE1      PHE   7  -7.052 -10.588  -6.841
   57    HZ   PHE   7           HZ       PHE   7  -7.939  -9.443  -4.809
   58    H    GLU   8           H        GLU   8  -1.084 -13.910  -5.615
   59    HA   GLU   8           HA       GLU   8   0.095 -15.337  -3.505
   60   1HB   GLU   8          1HB       GLU   8   1.293 -14.888  -6.264
   61   2HB   GLU   8          2HB       GLU   8   1.771 -16.134  -5.117
   62   1HG   GLU   8          1HG       GLU   8  -0.905 -15.916  -6.548
   63   2HG   GLU   8          2HG       GLU   8   0.347 -17.128  -6.796
   64    H    VAL   9           H        VAL   9   1.341 -12.338  -5.025
   65    HA   VAL   9           HA       VAL   9   3.793 -12.360  -3.481
   66    HB   VAL   9           HB       VAL   9   2.338 -10.149  -4.992
   67   1HG1  VAL   9          1HG1      VAL   9   5.101 -10.074  -3.692
   68   2HG1  VAL   9          2HG1      VAL   9   4.455  -8.864  -4.824
   69   3HG1  VAL   9          3HG1      VAL   9   3.703  -9.076  -3.244
   70   1HG2  VAL   9          3HG2      VAL   9   3.337 -11.981  -6.389
   71   2HG2  VAL   9          1HG2      VAL   9   4.159 -10.436  -6.628
   72   3HG2  VAL   9          2HG2      VAL   9   4.903 -11.694  -5.618
   73    H    LEU  10           H        LEU  10   0.554 -10.823  -2.999
   74    HA   LEU  10           HA       LEU  10   1.159  -9.484  -0.569
   75   1HB   LEU  10          1HB       LEU  10  -1.416 -10.706  -1.597
   76   2HB   LEU  10          2HB       LEU  10  -1.335  -9.830  -0.080
   77    HG   LEU  10           HG       LEU  10  -0.387  -8.558  -2.662
   78   1HD1  LEU  10          2HD1      LEU  10  -3.186  -8.972  -1.657
   79   2HD1  LEU  10          3HD1      LEU  10  -2.760  -7.469  -2.500
   80   3HD1  LEU  10          1HD1      LEU  10  -2.528  -9.035  -3.296
   81   1HD2  LEU  10          2HD2      LEU  10  -1.404  -7.389  -0.032
   82   2HD2  LEU  10          3HD2      LEU  10   0.278  -7.407  -0.586
   83   3HD2  LEU  10          1HD2      LEU  10  -0.918  -6.457  -1.464
   84    H    LYS  11           H        LYS  11   0.061 -12.844  -1.073
   85    HA   LYS  11           HA       LYS  11  -0.133 -13.622   1.650
   86   1HB   LYS  11          1HB       LYS  11   0.719 -15.306  -0.737
   87   2HB   LYS  11          2HB       LYS  11   0.343 -15.939   0.869
   88   1HG   LYS  11          1HG       LYS  11  -1.963 -14.823   0.638
   89   2HG   LYS  11          2HG       LYS  11  -1.574 -14.618  -1.066
   90   1HD   LYS  11          1HD       LYS  11  -1.928 -17.217   0.454
   91   2HD   LYS  11          2HD       LYS  11  -2.882 -16.573  -0.898
   92   1HE   LYS  11          1HE       LYS  11  -0.557 -16.647  -2.169
   93   2HE   LYS  11          2HE       LYS  11  -0.111 -17.814  -0.921
   94   1HZ   LYS  11          3HZ       LYS  11  -2.091 -19.135  -1.730
   95   2HZ   LYS  11          1HZ       LYS  11  -2.254 -17.955  -2.933
   96   3HZ   LYS  11          2HZ       LYS  11  -0.955 -18.790  -2.926
   97    H    ASN  12           H        ASN  12   2.751 -12.574   0.091
   98    HA   ASN  12           HA       ASN  12   4.391 -14.075   2.073
   99   1HB   ASN  12          1HB       ASN  12   5.103 -13.036  -0.696
  100   2HB   ASN  12          2HB       ASN  12   6.303 -13.500   0.491
  101   1HD2  ASN  12          2HD2      ASN  12   4.256 -16.436  -1.503
  102   2HD2  ASN  12          1HD2      ASN  12   3.722 -14.796  -1.683
  103    H    GLU  13           H        GLU  13   6.135 -12.906   3.008
  104    HA   GLU  13           HA       GLU  13   5.513 -10.147   3.628
  105   1HB   GLU  13          1HB       GLU  13   6.363 -11.768   5.274
  106   2HB   GLU  13          2HB       GLU  13   7.859 -11.964   4.348
  107   1HG   GLU  13          1HG       GLU  13   8.549  -9.706   4.827
  108   2HG   GLU  13          2HG       GLU  13   6.934  -9.258   5.385
  109    H    GLY  14           H        GLY  14   6.791  -8.326   3.001
  110   1HA   GLY  14          1HA       GLY  14   9.122  -8.295   1.494
  111   2HA   GLY  14          2HA       GLY  14   7.735  -8.410   0.379
  112    H    VAL  15           H        VAL  15   9.218  -6.188   0.206
  113    HA   VAL  15           HA       VAL  15   8.209  -4.036   1.890
  114    HB   VAL  15           HB       VAL  15   9.969  -4.010  -0.612
  115   1HG1  VAL  15          1HG1      VAL  15   9.434  -1.845   1.478
  116   2HG1  VAL  15          2HG1      VAL  15  10.710  -1.762   0.245
  117   3HG1  VAL  15          3HG1      VAL  15   9.023  -1.786  -0.250
  118   1HG2  VAL  15          2HG2      VAL  15  10.759  -3.906   2.323
  119   2HG2  VAL  15          3HG2      VAL  15  11.085  -5.254   1.215
  120   3HG2  VAL  15          1HG2      VAL  15  11.867  -3.693   0.955
  121    H    VAL  16           H        VAL  16   6.901  -2.390   1.126
  122    HA   VAL  16           HA       VAL  16   5.596  -2.582  -1.481
  123    HB   VAL  16           HB       VAL  16   4.144  -2.060   1.135
  124   1HG1  VAL  16          3HG1      VAL  16   2.995  -1.042  -0.804
  125   2HG1  VAL  16          1HG1      VAL  16   2.998  -2.616  -1.629
  126   3HG1  VAL  16          2HG1      VAL  16   2.058  -2.382  -0.158
  127   1HG2  VAL  16          1HG2      VAL  16   4.119  -4.651  -0.440
  128   2HG2  VAL  16          2HG2      VAL  16   4.742  -4.411   1.206
  129   3HG2  VAL  16          3HG2      VAL  16   3.024  -4.236   0.898
  130    H    ALA  17           H        ALA  17   4.721  -0.340  -1.996
  131    HA   ALA  17           HA       ALA  17   5.705   1.837  -0.325
  132   1HB   ALA  17          1HB       ALA  17   7.512   1.055  -2.076
  133   2HB   ALA  17          2HB       ALA  17   6.395   1.698  -3.276
  134   3HB   ALA  17          3HB       ALA  17   7.101   2.773  -2.061
  135    H    ILE  18           H        ILE  18   4.719   3.924  -1.019
  136    HA   ILE  18           HA       ILE  18   2.461   3.725  -2.907
  137    HB   ILE  18           HB       ILE  18   2.198   4.636  -0.014
  138   1HG1  ILE  18          1HG1      ILE  18   0.520   2.614  -1.562
  139   2HG1  ILE  18          2HG1      ILE  18   1.882   2.156  -0.535
  140   1HG2  ILE  18          3HG2      ILE  18   1.057   6.285  -1.486
  141   2HG2  ILE  18          1HG2      ILE  18   0.170   4.963  -2.279
  142   3HG2  ILE  18          2HG2      ILE  18  -0.109   5.374  -0.571
  143   1HD1  ILE  18          2HD1      ILE  18   0.785   3.124   1.434
  144   2HD1  ILE  18          3HD1      ILE  18  -0.636   3.527   0.450
  145   3HD1  ILE  18          1HD1      ILE  18  -0.178   1.840   0.659
  146    H    ALA  19           H        ALA  19   2.732   5.469  -4.298
  147    HA   ALA  19           HA       ALA  19   4.332   7.802  -3.370
  148   1HB   ALA  19          2HB       ALA  19   4.621   6.666  -5.772
  149   2HB   ALA  19          3HB       ALA  19   3.235   7.715  -6.145
  150   3HB   ALA  19          1HB       ALA  19   4.729   8.410  -5.518
  151    H    THR  20           H        THR  20   3.099   9.098  -2.137
  152    HA   THR  20           HA       THR  20   0.223   9.244  -2.577
  153    HB   THR  20           HB       THR  20   1.831  10.991  -0.664
  154    HG1  THR  20           HG1      THR  20   2.510   9.294   0.221
  155   1HG2  THR  20          1HG2      THR  20  -0.718  11.186  -1.032
  156   2HG2  THR  20          2HG2      THR  20  -0.858   9.499  -0.528
  157   3HG2  THR  20          3HG2      THR  20  -0.268  10.720   0.609
  158    H    GLN  21           H        GLN  21  -0.583  10.840  -4.251
  159    HA   GLN  21           HA       GLN  21   1.327  12.969  -4.898
  160   1HB   GLN  21          1HB       GLN  21  -0.130  12.176  -6.779
  161   2HB   GLN  21          2HB       GLN  21  -1.531  12.648  -5.831
  162   1HG   GLN  21          1HG       GLN  21  -0.930  14.343  -7.521
  163   2HG   GLN  21          2HG       GLN  21  -0.963  14.982  -5.895
  164   1HE2  GLN  21          2HE2      GLN  21   2.268  15.751  -8.016
  165   2HE2  GLN  21          1HE2      GLN  21   0.709  15.224  -8.653
  166    H    GLY  22           H        GLY  22   1.196  14.946  -4.098
  167   1HA   GLY  22          1HA       GLY  22  -0.997  15.667  -2.238
  168   2HA   GLY  22          2HA       GLY  22   0.645  15.780  -1.595
  169    H    GLU  23           H        GLU  23   2.190  17.030  -2.739
  170    HA   GLU  23           HA       GLU  23   1.276  19.225  -4.440
  171   1HB   GLU  23          1HB       GLU  23   0.491  19.758  -2.114
  172   2HB   GLU  23          2HB       GLU  23   2.152  19.687  -1.534
  173   1HG   GLU  23          1HG       GLU  23   2.782  21.630  -2.750
  174   2HG   GLU  23          2HG       GLU  23   1.396  21.495  -3.833
  175    H    ASP  24           H        ASP  24   3.827  17.995  -2.170
  176    HA   ASP  24           HA       ASP  24   6.006  19.269  -3.586
  177   1HB   ASP  24          1HB       ASP  24   7.336  18.206  -1.883
  178   2HB   ASP  24          2HB       ASP  24   5.874  18.780  -1.106
  179    H    GLY  25           H        GLY  25   4.419  17.507  -5.313
  180   1HA   GLY  25          1HA       GLY  25   4.978  15.991  -7.046
  181   2HA   GLY  25          2HA       GLY  25   6.562  15.706  -6.305
  182    HA   PRO  26           HA       PRO  26   3.250  12.740  -4.705
  183   1HB   PRO  26          1HB       PRO  26   3.773  10.363  -6.091
  184   2HB   PRO  26          2HB       PRO  26   2.438  11.497  -6.379
  185   1HG   PRO  26          1HG       PRO  26   5.103  11.257  -7.809
  186   2HG   PRO  26          2HG       PRO  26   3.505  11.615  -8.530
  187   1HD   PRO  26          1HD       PRO  26   5.444  13.532  -7.985
  188   2HD   PRO  26          2HD       PRO  26   3.689  13.890  -7.989
  189    H    HIS  27           H        HIS  27   3.869  11.420  -3.092
  190    HA   HIS  27           HA       HIS  27   6.842  11.272  -2.699
  191   1HB   HIS  27          1HB       HIS  27   5.412  12.812  -1.238
  192   2HB   HIS  27          2HB       HIS  27   4.729  11.377  -0.528
  193    HD1  HIS  27           HD1      HIS  27   8.316  12.645  -1.237
  194    HD2  HIS  27           HD2      HIS  27   5.993  10.678   1.633
  195    HE1  HIS  27           HE1      HIS  27   9.952  11.882   0.596
  196    H    LEU  28           H        LEU  28   7.538   9.254  -3.155
  197    HA   LEU  28           HA       LEU  28   5.905   6.909  -2.667
  198   1HB   LEU  28          1HB       LEU  28   7.313   7.246  -4.664
  199   2HB   LEU  28          2HB       LEU  28   8.754   7.094  -3.660
  200    HG   LEU  28           HG       LEU  28   8.313   4.759  -3.225
  201   1HD1  LEU  28          2HD1      LEU  28   5.594   5.239  -4.500
  202   2HD1  LEU  28          3HD1      LEU  28   6.254   3.637  -4.236
  203   3HD1  LEU  28          1HD1      LEU  28   5.942   4.689  -2.845
  204   1HD2  LEU  28          3HD2      LEU  28   9.178   5.292  -5.517
  205   2HD2  LEU  28          1HD2      LEU  28   8.202   3.808  -5.491
  206   3HD2  LEU  28          2HD2      LEU  28   7.505   5.313  -6.122
  207    H    VAL  29           H        VAL  29   5.511   6.841  -0.476
  208    HA   VAL  29           HA       VAL  29   7.709   6.523   1.436
  209    HB   VAL  29           HB       VAL  29   5.973   6.138   3.071
  210   1HG1  VAL  29          2HG1      VAL  29   6.457   8.487   2.223
  211   2HG1  VAL  29          3HG1      VAL  29   4.974   8.376   1.272
  212   3HG1  VAL  29          1HG1      VAL  29   4.906   8.267   3.044
  213   1HG2  VAL  29          1HG2      VAL  29   4.332   4.789   1.740
  214   2HG2  VAL  29          2HG2      VAL  29   3.603   6.112   2.662
  215   3HG2  VAL  29          3HG2      VAL  29   3.830   6.289   0.927
  216    H    ASN  30           H        ASN  30   7.630   4.441   2.894
  217    HA   ASN  30           HA       ASN  30   7.108   2.036   1.215
  218   1HB   ASN  30          1HB       ASN  30   9.505   2.663   2.937
  219   2HB   ASN  30          2HB       ASN  30   9.026   0.996   2.665
  220   1HD2  ASN  30          2HD2      ASN  30   9.676   1.311  -0.956
  221   2HD2  ASN  30          1HD2      ASN  30   8.310   0.774   0.020
  222    H    THR  31           H        THR  31   6.856   0.023   2.442
  223    HA   THR  31           HA       THR  31   6.305  -0.069   5.200
  224    HB   THR  31           HB       THR  31   4.292   1.158   4.594
  225    HG1  THR  31           HG1      THR  31   3.766  -0.037   6.208
  226   1HG2  THR  31          3HG2      THR  31   4.052   0.305   2.212
  227   2HG2  THR  31          1HG2      THR  31   3.415  -1.201   2.926
  228   3HG2  THR  31          2HG2      THR  31   2.573   0.336   3.174
  229    H    TRP  32           H        TRP  32   5.136  -2.391   5.514
  230    HA   TRP  32           HA       TRP  32   6.364  -4.308   3.595
  231   1HB   TRP  32          1HB       TRP  32   6.282  -4.521   6.626
  232   2HB   TRP  32          2HB       TRP  32   6.680  -5.853   5.551
  233    HD1  TRP  32           HD1      TRP  32   8.062  -2.524   6.760
  234    HE1  TRP  32           HE1      TRP  32  10.552  -2.381   6.313
  235    HE3  TRP  32           HE3      TRP  32   8.636  -6.939   4.279
  236    HZ2  TRP  32           HZ2      TRP  32  12.590  -3.999   4.969
  237    HZ3  TRP  32           HZ3      TRP  32  10.864  -7.645   3.442
  238    HH2  TRP  32           HH2      TRP  32  12.843  -6.175   3.747
  239    H    ASN  33           H        ASN  33   5.045  -6.066   2.994
  240    HA   ASN  33           HA       ASN  33   2.236  -6.050   3.302
  241   1HB   ASN  33          1HB       ASN  33   4.102  -8.390   2.797
  242   2HB   ASN  33          2HB       ASN  33   2.373  -8.607   2.987
  243   1HD2  ASN  33          2HD2      ASN  33   3.244  -8.275  -0.645
  244   2HD2  ASN  33          1HD2      ASN  33   3.703  -9.373   0.640
  245    H    SER  34           H        SER  34   4.674  -7.225   5.503
  246    HA   SER  34           HA       SER  34   3.295  -8.867   7.276
  247   1HB   SER  34          1HB       SER  34   5.792  -8.229   6.934
  248   2HB   SER  34          2HB       SER  34   5.470  -6.855   7.983
  249    HG   SER  34           HG       SER  34   6.174  -9.247   8.612
  250    H    TYR  35           H        TYR  35   2.989  -5.439   6.820
  251    HA   TYR  35           HA       TYR  35   1.605  -5.051   9.436
  252   1HB   TYR  35          1HB       TYR  35   2.703  -2.913   7.620
  253   2HB   TYR  35          2HB       TYR  35   2.223  -2.770   9.299
  254    HD1  TYR  35           HD1      TYR  35   3.991  -5.445  10.072
  255    HD2  TYR  35           HD2      TYR  35   4.699  -1.667   8.096
  256    HE1  TYR  35           HE1      TYR  35   6.372  -5.622  10.603
  257    HE2  TYR  35           HE2      TYR  35   7.086  -1.785   8.737
  258    HH   TYR  35           HH       TYR  35   8.497  -4.662  10.312
  259    H    LEU  36           H        LEU  36   0.908  -5.595   6.144
  260    HA   LEU  36           HA       LEU  36  -1.145  -3.440   5.978
  261   1HB   LEU  36          1HB       LEU  36  -0.213  -5.403   3.829
  262   2HB   LEU  36          2HB       LEU  36  -1.297  -4.038   3.623
  263    HG   LEU  36           HG       LEU  36   1.684  -4.064   3.880
  264   1HD1  LEU  36          3HD1      LEU  36   0.611  -3.966   1.680
  265   2HD1  LEU  36          1HD1      LEU  36  -0.276  -2.497   2.160
  266   3HD1  LEU  36          2HD1      LEU  36   1.493  -2.471   2.034
  267   1HD2  LEU  36          2HD2      LEU  36  -0.093  -1.837   4.809
  268   2HD2  LEU  36          3HD2      LEU  36   1.327  -2.516   5.625
  269   3HD2  LEU  36          1HD2      LEU  36   1.538  -1.521   4.199
  270    H    LYS  37           H        LYS  37  -3.213  -4.034   4.931
  271    HA   LYS  37           HA       LYS  37  -3.945  -6.886   5.288
  272   1HB   LYS  37          1HB       LYS  37  -6.059  -6.426   6.304
  273   2HB   LYS  37          2HB       LYS  37  -4.767  -5.819   7.347
  274   1HG   LYS  37          1HG       LYS  37  -5.176  -3.601   6.821
  275   2HG   LYS  37          2HG       LYS  37  -6.191  -3.959   5.410
  276   1HD   LYS  37          1HD       LYS  37  -7.042  -4.686   8.166
  277   2HD   LYS  37          2HD       LYS  37  -7.299  -3.094   7.497
  278   1HE   LYS  37          1HE       LYS  37  -9.331  -4.243   7.152
  279   2HE   LYS  37          2HE       LYS  37  -8.574  -3.937   5.596
  280   1HZ   LYS  37          3HZ       LYS  37  -8.529  -6.549   6.990
  281   2HZ   LYS  37          1HZ       LYS  37  -9.597  -6.127   5.833
  282   3HZ   LYS  37          2HZ       LYS  37  -8.040  -6.267   5.420
  283    H    VAL  38           H        VAL  38  -5.377  -7.631   3.717
  284    HA   VAL  38           HA       VAL  38  -6.124  -5.673   1.609
  285    HB   VAL  38           HB       VAL  38  -5.679  -8.660   1.509
  286   1HG1  VAL  38          3HG1      VAL  38  -6.477  -6.731  -0.708
  287   2HG1  VAL  38          1HG1      VAL  38  -5.862  -8.376  -0.981
  288   3HG1  VAL  38          2HG1      VAL  38  -7.386  -8.141  -0.125
  289   1HG2  VAL  38          1HG2      VAL  38  -3.577  -7.193   1.649
  290   2HG2  VAL  38          2HG2      VAL  38  -3.722  -8.284   0.295
  291   3HG2  VAL  38          3HG2      VAL  38  -4.058  -6.559   0.061
  292    H    LEU  39           H        LEU  39  -8.303  -5.834   0.825
  293    HA   LEU  39           HA       LEU  39 -10.326  -7.188   2.444
  294   1HB   LEU  39          1HB       LEU  39 -10.247  -4.256   1.644
  295   2HB   LEU  39          2HB       LEU  39 -11.785  -5.083   1.823
  296    HG   LEU  39           HG       LEU  39  -9.719  -4.715   4.005
  297   1HD1  LEU  39          2HD1      LEU  39 -12.465  -3.463   3.571
  298   2HD1  LEU  39          3HD1      LEU  39 -11.455  -3.234   5.006
  299   3HD1  LEU  39          1HD1      LEU  39 -10.901  -2.644   3.429
  300   1HD2  LEU  39          1HD2      LEU  39 -12.485  -6.000   4.107
  301   2HD2  LEU  39          2HD2      LEU  39 -10.952  -6.816   4.441
  302   3HD2  LEU  39          3HD2      LEU  39 -11.555  -5.553   5.537
  303    H    ASP  40           H        ASP  40 -12.475  -6.899   0.886
  304    HA   ASP  40           HA       ASP  40 -11.676  -8.056  -1.630
  305   1HB   ASP  40          1HB       ASP  40 -13.620  -8.944  -0.380
  306   2HB   ASP  40          2HB       ASP  40 -14.436  -7.383  -0.561
  307    H    GLY  41           H        GLY  41 -13.249  -6.958  -3.539
  308   1HA   GLY  41          1HA       GLY  41 -13.477  -5.128  -4.962
  309   2HA   GLY  41          2HA       GLY  41 -13.669  -4.148  -3.495
  310    H    ASN  42           H        ASN  42 -10.861  -6.035  -4.075
  311    HA   ASN  42           HA       ASN  42  -8.656  -5.734  -4.231
  312   1HB   ASN  42          1HB       ASN  42  -7.742  -4.333  -5.884
  313   2HB   ASN  42          2HB       ASN  42  -9.284  -4.884  -6.530
  314   1HD2  ASN  42          2HD2      ASN  42 -10.022  -1.467  -7.163
  315   2HD2  ASN  42          1HD2      ASN  42 -10.389  -3.142  -7.610
  316    H    ARG  43           H        ARG  43 -10.331  -3.951  -2.194
  317    HA   ARG  43           HA       ARG  43  -8.598  -1.694  -1.816
  318   1HB   ARG  43          1HB       ARG  43 -10.875  -1.588  -1.165
  319   2HB   ARG  43          2HB       ARG  43 -10.769  -3.013  -0.145
  320   1HG   ARG  43          1HG       ARG  43  -9.599  -1.880   1.572
  321   2HG   ARG  43          2HG       ARG  43  -9.172  -0.522   0.529
  322   1HD   ARG  43          1HD       ARG  43 -12.083  -1.181   1.128
  323   2HD   ARG  43          2HD       ARG  43 -11.114  -0.196   2.224
  324    HE   ARG  43           HE       ARG  43 -10.946   0.651  -0.555
  325   1HH1  ARG  43          2HH2      ARG  43 -12.573   1.334   2.575
  326   2HH1  ARG  43          1HH2      ARG  43 -13.328   2.754   1.979
  327   1HH2  ARG  43          2HH1      ARG  43 -11.717   2.561  -1.221
  328   2HH2  ARG  43          1HH1      ARG  43 -12.715   3.577  -0.229
  329    H    ILE  44           H        ILE  44  -6.909  -1.299  -0.347
  330    HA   ILE  44           HA       ILE  44  -5.944  -3.584   1.274
  331    HB   ILE  44           HB       ILE  44  -4.075  -1.727  -0.243
  332   1HG1  ILE  44          1HG1      ILE  44  -4.924  -4.508  -1.233
  333   2HG1  ILE  44          2HG1      ILE  44  -5.376  -2.967  -1.968
  334   1HG2  ILE  44          2HG2      ILE  44  -3.772  -4.513   1.032
  335   2HG2  ILE  44          3HG2      ILE  44  -2.458  -3.672   0.207
  336   3HG2  ILE  44          1HG2      ILE  44  -3.109  -3.013   1.689
  337   1HD1  ILE  44          1HD1      ILE  44  -2.888  -2.463  -2.223
  338   2HD1  ILE  44          2HD1      ILE  44  -2.643  -4.212  -1.974
  339   3HD1  ILE  44          3HD1      ILE  44  -3.642  -3.613  -3.314
  340    H    VAL  45           H        VAL  45  -4.415  -2.592   3.050
  341    HA   VAL  45           HA       VAL  45  -4.958   0.243   3.605
  342    HB   VAL  45           HB       VAL  45  -5.468  -1.906   5.629
  343   1HG1  VAL  45          2HG1      VAL  45  -4.946   0.232   6.635
  344   2HG1  VAL  45          3HG1      VAL  45  -6.204   1.013   5.661
  345   3HG1  VAL  45          1HG1      VAL  45  -6.625  -0.187   6.922
  346   1HG2  VAL  45          3HG2      VAL  45  -7.266  -2.240   3.994
  347   2HG2  VAL  45          1HG2      VAL  45  -7.898  -1.557   5.489
  348   3HG2  VAL  45          2HG2      VAL  45  -7.651  -0.510   4.080
  349    H    VAL  46           H        VAL  46  -3.372   1.157   4.829
  350    HA   VAL  46           HA       VAL  46  -1.160  -0.502   5.867
  351    HB   VAL  46           HB       VAL  46  -1.072   2.297   4.681
  352   1HG1  VAL  46          1HG1      VAL  46   0.668   2.033   6.347
  353   2HG1  VAL  46          2HG1      VAL  46   1.227   0.540   5.560
  354   3HG1  VAL  46          3HG1      VAL  46   1.363   2.107   4.733
  355   1HG2  VAL  46          1HG2      VAL  46  -0.392  -0.308   3.324
  356   2HG2  VAL  46          2HG2      VAL  46  -1.461   0.994   2.796
  357   3HG2  VAL  46          3HG2      VAL  46   0.288   1.243   2.831
  358    HA   PRO  47           HA       PRO  47  -2.274   1.755   9.689
  359   1HB   PRO  47          1HB       PRO  47  -0.218   0.903  11.275
  360   2HB   PRO  47          2HB       PRO  47  -1.576  -0.160  10.815
  361   1HG   PRO  47          1HG       PRO  47   1.131   0.030   9.480
  362   2HG   PRO  47          2HG       PRO  47   0.290  -1.448  10.053
  363   1HD   PRO  47          1HD       PRO  47   0.234  -0.634   7.482
  364   2HD   PRO  47          2HD       PRO  47  -1.249  -1.296   8.241
  365    H    VAL  48           H        VAL  48  -1.891   3.991   9.842
  366    HA   VAL  48           HA       VAL  48   0.795   4.915   9.153
  367    HB   VAL  48           HB       VAL  48  -1.081   6.185   8.220
  368   1HG1  VAL  48          2HG1      VAL  48  -2.696   6.185  10.025
  369   2HG1  VAL  48          3HG1      VAL  48  -1.664   7.225  11.024
  370   3HG1  VAL  48          1HG1      VAL  48  -2.321   7.839   9.515
  371   1HG2  VAL  48          3HG2      VAL  48   1.247   7.112   8.831
  372   2HG2  VAL  48          1HG2      VAL  48  -0.029   8.309   8.496
  373   3HG2  VAL  48          2HG2      VAL  48   0.457   7.961  10.164
  374    H    GLY  49           H        GLY  49   2.303   4.959  10.558
  375   1HA   GLY  49          1HA       GLY  49   1.796   5.731  13.388
  376   2HA   GLY  49          2HA       GLY  49   3.084   4.611  12.861
  377    H    GLY  50           H        GLY  50   3.613   6.466  10.358
  378   1HA   GLY  50          1HA       GLY  50   4.457   8.968  11.546
  379   2HA   GLY  50          2HA       GLY  50   5.752   7.815  11.205
  380    H    MET  51           H        MET  51   2.790   8.071   9.232
  381    HA   MET  51           HA       MET  51   4.416   9.109   6.961
  382   1HB   MET  51          1HB       MET  51   1.747   7.641   6.870
  383   2HB   MET  51          2HB       MET  51   2.538   8.360   5.503
  384   1HG   MET  51          1HG       MET  51   4.313   6.879   5.499
  385   2HG   MET  51          2HG       MET  51   4.001   6.354   7.152
  386   1HE   MET  51          1HE       MET  51   4.727   4.261   6.086
  387   2HE   MET  51          2HE       MET  51   3.689   3.158   5.155
  388   3HE   MET  51          3HE       MET  51   4.493   4.544   4.370
  389    H    HIS  52           H        HIS  52   4.257  11.170   8.211
  390    HA   HIS  52           HA       HIS  52   1.596  12.300   8.746
  391   1HB   HIS  52          1HB       HIS  52   4.417  13.303   9.291
  392   2HB   HIS  52          2HB       HIS  52   2.950  14.233   9.638
  393    HD1  HIS  52           HD1      HIS  52   5.119  11.823  11.379
  394    HD2  HIS  52           HD2      HIS  52   1.013  12.643  11.062
  395    HE1  HIS  52           HE1      HIS  52   3.995  10.660  13.377
  396    H    LYS  53           H        LYS  53   4.416  13.277   6.668
  397    HA   LYS  53           HA       LYS  53   2.871  15.424   5.414
  398   1HB   LYS  53          1HB       LYS  53   5.232  15.592   5.161
  399   2HB   LYS  53          2HB       LYS  53   5.359  13.945   4.564
  400   1HG   LYS  53          1HG       LYS  53   4.017  14.636   2.508
  401   2HG   LYS  53          2HG       LYS  53   3.979  16.274   3.162
  402   1HD   LYS  53          1HD       LYS  53   5.647  16.357   1.592
  403   2HD   LYS  53          2HD       LYS  53   6.599  16.088   3.069
  404   1HE   LYS  53          1HE       LYS  53   5.770  14.022   0.998
  405   2HE   LYS  53          2HE       LYS  53   7.341  14.799   1.097
  406   1HZ   LYS  53          2HZ       LYS  53   7.517  13.791   3.398
  407   2HZ   LYS  53          3HZ       LYS  53   6.175  12.918   3.066
  408   3HZ   LYS  53          1HZ       LYS  53   7.492  12.703   2.173
  409    H    THR  54           H        THR  54   3.419  11.972   4.588
  410    HA   THR  54           HA       THR  54   1.766  11.995   2.356
  411    HB   THR  54           HB       THR  54   2.816   9.969   4.253
  412    HG1  THR  54           HG1      THR  54   4.086  10.824   2.735
  413   1HG2  THR  54          3HG2      THR  54   0.731   9.327   2.141
  414   2HG2  THR  54          1HG2      THR  54   1.937   8.149   2.703
  415   3HG2  THR  54          2HG2      THR  54   0.751   8.840   3.832
  416    H    GLU  55           H        GLU  55   0.670  11.687   5.796
  417    HA   GLU  55           HA       GLU  55  -2.052  11.212   5.145
  418   1HB   GLU  55          1HB       GLU  55  -0.941  10.899   7.341
  419   2HB   GLU  55          2HB       GLU  55  -0.861  12.653   7.533
  420   1HG   GLU  55          1HG       GLU  55  -3.288  12.780   7.672
  421   2HG   GLU  55          2HG       GLU  55  -3.444  11.072   7.217
  422    H    ALA  56           H        ALA  56  -0.194  14.239   5.505
  423    HA   ALA  56           HA       ALA  56  -2.429  15.948   4.852
  424   1HB   ALA  56          2HB       ALA  56  -0.362  16.792   5.939
  425   2HB   ALA  56          3HB       ALA  56   0.541  16.497   4.434
  426   3HB   ALA  56          1HB       ALA  56  -0.769  17.686   4.458
  427    H    ASN  57           H        ASN  57   0.062  14.370   2.825
  428    HA   ASN  57           HA       ASN  57  -0.661  15.529   0.373
  429   1HB   ASN  57          1HB       ASN  57   0.659  12.879   0.982
  430   2HB   ASN  57          2HB       ASN  57   0.332  13.349  -0.634
  431   1HD2  ASN  57          2HD2      ASN  57   3.561  14.889  -0.643
  432   2HD2  ASN  57          1HD2      ASN  57   2.682  13.461  -1.180
  433    H    VAL  58           H        VAL  58  -2.018  12.557   1.931
  434    HA   VAL  58           HA       VAL  58  -3.886  12.080  -0.205
  435    HB   VAL  58           HB       VAL  58  -4.133  11.279   2.710
  436   1HG1  VAL  58          3HG1      VAL  58  -5.612  10.326   0.225
  437   2HG1  VAL  58          1HG1      VAL  58  -5.695   9.529   1.817
  438   3HG1  VAL  58          2HG1      VAL  58  -6.322  11.178   1.607
  439   1HG2  VAL  58          1HG2      VAL  58  -3.117   9.789   0.244
  440   2HG2  VAL  58          2HG2      VAL  58  -2.180  10.213   1.690
  441   3HG2  VAL  58          3HG2      VAL  58  -3.455   9.010   1.805
  442    H    ALA  59           H        ALA  59  -4.150  13.993   2.861
  443    HA   ALA  59           HA       ALA  59  -6.809  14.911   2.358
  444   1HB   ALA  59          3HB       ALA  59  -5.619  15.220   4.518
  445   2HB   ALA  59          1HB       ALA  59  -4.575  16.438   3.749
  446   3HB   ALA  59          2HB       ALA  59  -6.314  16.730   3.889
  447    H    ARG  60           H        ARG  60  -3.804  15.802   0.791
  448    HA   ARG  60           HA       ARG  60  -4.942  18.104  -0.530
  449   1HB   ARG  60          1HB       ARG  60  -2.259  16.807  -0.470
  450   2HB   ARG  60          2HB       ARG  60  -2.589  17.717  -1.882
  451   1HG   ARG  60          1HG       ARG  60  -2.824  18.753   1.014
  452   2HG   ARG  60          2HG       ARG  60  -1.395  18.934  -0.012
  453   1HD   ARG  60          1HD       ARG  60  -3.804  20.573   0.044
  454   2HD   ARG  60          2HD       ARG  60  -2.259  20.901  -0.732
  455    HE   ARG  60           HE       ARG  60  -4.541  19.356  -1.899
  456   1HH1  ARG  60          2HH2      ARG  60  -1.548  21.207  -2.645
  457   2HH1  ARG  60          1HH2      ARG  60  -1.395  20.431  -4.165
  458   1HH2  ARG  60          2HH1      ARG  60  -4.384  18.528  -3.882
  459   2HH2  ARG  60          1HH1      ARG  60  -3.050  18.908  -4.911
  460    H    ASP  61           H        ASP  61  -4.142  14.806  -1.557
  461    HA   ASP  61           HA       ASP  61  -5.975  15.115  -3.848
  462   1HB   ASP  61          1HB       ASP  61  -3.717  15.931  -4.614
  463   2HB   ASP  61          2HB       ASP  61  -3.069  14.330  -4.275
  464    H    GLU  62           H        GLU  62  -6.765  13.128  -4.543
  465    HA   GLU  62           HA       GLU  62  -6.538  10.911  -2.600
  466   1HB   GLU  62          1HB       GLU  62  -8.355   9.860  -3.898
  467   2HB   GLU  62          2HB       GLU  62  -8.748  11.467  -3.348
  468   1HG   GLU  62          1HG       GLU  62  -9.646  11.497  -5.455
  469   2HG   GLU  62          2HG       GLU  62  -8.110  12.289  -5.746
  470    H    ARG  63           H        ARG  63  -5.156  11.903  -5.567
  471    HA   ARG  63           HA       ARG  63  -4.766   9.482  -6.886
  472   1HB   ARG  63          1HB       ARG  63  -3.280  12.125  -6.742
  473   2HB   ARG  63          2HB       ARG  63  -2.656  10.898  -7.808
  474   1HG   ARG  63          1HG       ARG  63  -5.455  12.102  -8.049
  475   2HG   ARG  63          2HG       ARG  63  -4.006  12.735  -8.838
  476   1HD   ARG  63          1HD       ARG  63  -4.749  11.390 -10.487
  477   2HD   ARG  63          2HD       ARG  63  -3.651  10.279  -9.651
  478    HE   ARG  63           HE       ARG  63  -6.582  10.439  -9.018
  479   1HH1  ARG  63          2HH2      ARG  63  -3.794   8.323  -9.465
  480   2HH1  ARG  63          1HH2      ARG  63  -4.571   7.043  -8.563
  481   1HH2  ARG  63          2HH1      ARG  63  -7.515   8.832  -8.078
  482   2HH2  ARG  63          1HH1      ARG  63  -6.883   7.245  -7.932
  483    H    VAL  64           H        VAL  64  -3.619   7.618  -6.341
  484    HA   VAL  64           HA       VAL  64  -0.880   8.181  -5.391
  485    HB   VAL  64           HB       VAL  64  -0.865   6.496  -3.759
  486   1HG1  VAL  64          2HG1      VAL  64  -1.711   8.832  -3.144
  487   2HG1  VAL  64          3HG1      VAL  64  -3.325   8.142  -3.090
  488   3HG1  VAL  64          1HG1      VAL  64  -2.037   7.535  -2.008
  489   1HG2  VAL  64          2HG2      VAL  64  -2.517   4.891  -4.660
  490   2HG2  VAL  64          3HG2      VAL  64  -2.870   5.305  -2.984
  491   3HG2  VAL  64          1HG2      VAL  64  -3.826   6.036  -4.289
  492    H    LEU  65           H        LEU  65   0.579   6.512  -5.593
  493    HA   LEU  65           HA       LEU  65   0.115   4.524  -7.789
  494   1HB   LEU  65          1HB       LEU  65   1.856   6.469  -8.156
  495   2HB   LEU  65          2HB       LEU  65   2.734   5.702  -6.830
  496    HG   LEU  65           HG       LEU  65   2.785   3.559  -8.225
  497   1HD1  LEU  65          2HD1      LEU  65   1.014   4.222  -9.858
  498   2HD1  LEU  65          3HD1      LEU  65   2.049   5.539 -10.442
  499   3HD1  LEU  65          1HD1      LEU  65   2.537   3.843 -10.662
  500   1HD2  LEU  65          1HD2      LEU  65   4.215   6.072  -9.204
  501   2HD2  LEU  65          2HD2      LEU  65   4.738   5.005  -7.884
  502   3HD2  LEU  65          3HD2      LEU  65   4.720   4.405  -9.545
  503    H    MET  66           H        MET  66   1.036   2.354  -7.112
  504    HA   MET  66           HA       MET  66   2.064   2.205  -4.351
  505   1HB   MET  66          1HB       MET  66  -0.409   1.976  -4.201
  506   2HB   MET  66          2HB       MET  66  -0.351   0.609  -5.310
  507   1HG   MET  66          1HG       MET  66   0.901  -0.711  -3.668
  508   2HG   MET  66          2HG       MET  66   1.050   0.698  -2.612
  509   1HE   MET  66          2HE       MET  66   0.029  -0.313  -0.433
  510   2HE   MET  66          3HE       MET  66  -1.494  -1.219  -0.370
  511   3HE   MET  66          1HE       MET  66  -0.091  -1.918  -1.201
  512    H    THR  67           H        THR  67   3.620   0.486  -4.175
  513    HA   THR  67           HA       THR  67   3.741  -1.350  -6.495
  514    HB   THR  67           HB       THR  67   6.111  -1.201  -6.649
  515    HG1  THR  67           HG1      THR  67   7.285   0.310  -5.364
  516   1HG2  THR  67          1HG2      THR  67   4.820   0.627  -7.827
  517   2HG2  THR  67          2HG2      THR  67   5.212   1.713  -6.482
  518   3HG2  THR  67          3HG2      THR  67   6.512   1.033  -7.478
  519    H    LEU  68           H        LEU  68   3.984  -3.477  -5.814
  520    HA   LEU  68           HA       LEU  68   4.669  -3.862  -2.937
  521   1HB   LEU  68          1HB       LEU  68   3.211  -5.549  -2.537
  522   2HB   LEU  68          2HB       LEU  68   2.211  -4.323  -3.297
  523    HG   LEU  68           HG       LEU  68   3.307  -6.819  -4.742
  524   1HD1  LEU  68          2HD1      LEU  68   1.734  -7.398  -2.919
  525   2HD1  LEU  68          3HD1      LEU  68   0.538  -6.279  -3.603
  526   3HD1  LEU  68          1HD1      LEU  68   1.048  -7.715  -4.518
  527   1HD2  LEU  68          3HD2      LEU  68   1.339  -4.649  -5.483
  528   2HD2  LEU  68          1HD2      LEU  68   2.836  -5.084  -6.323
  529   3HD2  LEU  68          2HD2      LEU  68   1.467  -6.202  -6.350
  530    H    GLY  69           H        GLY  69   5.742  -5.954  -2.533
  531   1HA   GLY  69          1HA       GLY  69   6.420  -7.656  -4.718
  532   2HA   GLY  69          2HA       GLY  69   7.766  -6.573  -4.312
  533    H    SER  70           H        SER  70   8.447  -9.005  -3.993
  534    HA   SER  70           HA       SER  70   8.727  -9.316  -1.116
  535   1HB   SER  70          1HB       SER  70   6.747 -10.764  -1.603
  536   2HB   SER  70          2HB       SER  70   7.694 -11.609  -2.846
  537    HG   SER  70           HG       SER  70   8.015 -11.570  -0.025
  538    H    ARG  71           H        ARG  71  10.492 -10.877  -0.724
  539    HA   ARG  71           HA       ARG  71  12.527 -10.816  -2.931
  540   1HB   ARG  71          1HB       ARG  71  12.867 -11.234   0.063
  541   2HB   ARG  71          2HB       ARG  71  14.175 -11.231  -1.110
  542   1HG   ARG  71          1HG       ARG  71  12.479  -8.753  -1.149
  543   2HG   ARG  71          2HG       ARG  71  13.310  -9.059   0.364
  544   1HD   ARG  71          1HD       ARG  71  14.608  -7.590  -1.038
  545   2HD   ARG  71          2HD       ARG  71  15.469  -9.098  -0.740
  546    HE   ARG  71           HE       ARG  71  14.777  -9.867  -2.995
  547   1HH1  ARG  71          2HH2      ARG  71  14.861  -6.323  -2.507
  548   2HH1  ARG  71          1HH2      ARG  71  15.140  -5.993  -4.180
  549   1HH2  ARG  71          2HH1      ARG  71  15.104  -9.421  -5.076
  550   2HH2  ARG  71          1HH1      ARG  71  15.260  -7.851  -5.771
  551    H    LYS  72           H        LYS  72  10.194 -12.823  -1.501
  552    HA   LYS  72           HA       LYS  72  11.763 -15.277  -1.461
  553   1HB   LYS  72          1HB       LYS  72   8.787 -14.702  -1.087
  554   2HB   LYS  72          2HB       LYS  72   9.538 -16.288  -0.895
  555   1HG   LYS  72          1HG       LYS  72  10.966 -15.434   0.943
  556   2HG   LYS  72          2HG       LYS  72  10.272 -13.819   0.745
  557   1HD   LYS  72          1HD       LYS  72   9.184 -14.837   2.615
  558   2HD   LYS  72          2HD       LYS  72   8.026 -14.727   1.286
  559   1HE   LYS  72          1HE       LYS  72   8.684 -17.174   0.733
  560   2HE   LYS  72          2HE       LYS  72   9.503 -17.195   2.304
  561   1HZ   LYS  72          3HZ       LYS  72   7.314 -16.623   3.285
  562   2HZ   LYS  72          1HZ       LYS  72   6.639 -16.699   1.774
  563   3HZ   LYS  72          2HZ       LYS  72   7.262 -18.051   2.457
  564    H    VAL  73           H        VAL  73  10.408 -13.577  -4.137
  565    HA   VAL  73           HA       VAL  73  10.436 -16.089  -5.662
  566    HB   VAL  73           HB       VAL  73   8.338 -13.899  -5.949
  567   1HG1  VAL  73          2HG1      VAL  73   8.693 -16.510  -7.494
  568   2HG1  VAL  73          3HG1      VAL  73   7.338 -15.376  -7.670
  569   3HG1  VAL  73          1HG1      VAL  73   8.961 -14.872  -8.134
  570   1HG2  VAL  73          2HG2      VAL  73   8.027 -16.770  -4.977
  571   2HG2  VAL  73          3HG2      VAL  73   7.744 -15.291  -4.032
  572   3HG2  VAL  73          1HG2      VAL  73   6.682 -15.681  -5.384
  573    H    ALA  74           H        ALA  74  11.554 -15.731  -7.617
  574    HA   ALA  74           HA       ALA  74  13.243 -13.347  -7.606
  575   1HB   ALA  74          3HB       ALA  74  14.246 -15.573  -8.044
  576   2HB   ALA  74          1HB       ALA  74  13.185 -15.767  -9.464
  577   3HB   ALA  74          2HB       ALA  74  14.423 -14.498  -9.449
  578    H    GLY  75           H        GLY  75  13.040 -11.605  -9.023
  579   1HA   GLY  75          1HA       GLY  75  11.069 -11.762 -11.217
  580   2HA   GLY  75          2HA       GLY  75  11.221 -10.358 -10.132
  581    H    ARG  76           H        ARG  76  11.899  -8.948 -11.591
  582    HA   ARG  76           HA       ARG  76  14.321  -9.492 -13.195
  583   1HB   ARG  76          1HB       ARG  76  12.596  -7.004 -12.921
  584   2HB   ARG  76          2HB       ARG  76  14.065  -7.076 -13.901
  585   1HG   ARG  76          1HG       ARG  76  13.125  -8.927 -15.247
  586   2HG   ARG  76          2HG       ARG  76  11.665  -8.935 -14.258
  587   1HD   ARG  76          1HD       ARG  76  11.206  -7.760 -16.311
  588   2HD   ARG  76          2HD       ARG  76  11.146  -6.637 -14.965
  589    HE   ARG  76           HE       ARG  76  13.405  -6.964 -16.898
  590   1HH1  ARG  76          2HH2      ARG  76  11.457  -4.767 -14.891
  591   2HH1  ARG  76          1HH2      ARG  76  12.425  -3.379 -15.165
  592   1HH2  ARG  76          2HH1      ARG  76  14.675  -5.085 -17.365
  593   2HH2  ARG  76          1HH1      ARG  76  14.274  -3.562 -16.664
  594    H    ASN  77           H        ASN  77  13.580  -7.125 -10.507
  595    HA   ASN  77           HA       ASN  77  16.481  -6.561 -10.476
  596   1HB   ASN  77          1HB       ASN  77  15.887  -5.073  -8.526
  597   2HB   ASN  77          2HB       ASN  77  15.288  -4.631 -10.110
  598   1HD2  ASN  77          2HD2      ASN  77  12.215  -6.059  -7.823
  599   2HD2  ASN  77          1HD2      ASN  77  13.622  -7.093  -7.965
  600    H    GLY  78           H        GLY  78  17.497  -8.383  -9.887
  601   1HA   GLY  78          1HA       GLY  78  18.444  -9.952  -8.525
  602   2HA   GLY  78          2HA       GLY  78  17.923  -8.997  -7.123
  603    HA   PRO  79           HA       PRO  79  15.235 -12.797  -7.229
  604   1HB   PRO  79          1HB       PRO  79  15.780 -13.771  -4.714
  605   2HB   PRO  79          2HB       PRO  79  16.775 -14.176  -6.145
  606   1HG   PRO  79          1HG       PRO  79  17.318 -12.070  -4.032
  607   2HG   PRO  79          2HG       PRO  79  18.456 -13.263  -4.726
  608   1HD   PRO  79          1HD       PRO  79  18.305 -10.658  -5.590
  609   2HD   PRO  79          2HD       PRO  79  18.720 -12.005  -6.693
  610    H    GLY  80           H        GLY  80  13.717 -11.003  -7.322
  611   1HA   GLY  80          1HA       GLY  80  11.967 -10.986  -5.136
  612   2HA   GLY  80          2HA       GLY  80  12.823  -9.439  -5.147
  613    H    THR  81           H        THR  81  10.035 -10.802  -6.197
  614    HA   THR  81           HA       THR  81   9.917  -8.955  -8.544
  615    HB   THR  81           HB       THR  81   9.751 -11.465  -9.075
  616    HG1  THR  81           HG1      THR  81   9.119  -9.709 -10.439
  617   1HG2  THR  81          3HG2      THR  81   8.194 -12.078  -7.244
  618   2HG2  THR  81          1HG2      THR  81   6.914 -11.159  -8.071
  619   3HG2  THR  81          2HG2      THR  81   7.658 -12.557  -8.868
  620    H    GLY  82           H        GLY  82   7.321  -8.537  -8.903
  621   1HA   GLY  82          1HA       GLY  82   5.654  -8.115  -6.679
  622   2HA   GLY  82          2HA       GLY  82   6.761  -6.722  -6.870
  623    H    PHE  83           H        PHE  83   4.882  -5.375  -7.464
  624    HA   PHE  83           HA       PHE  83   4.441  -5.340 -10.332
  625   1HB   PHE  83          1HB       PHE  83   2.015  -5.500  -8.456
  626   2HB   PHE  83          2HB       PHE  83   1.954  -5.095 -10.143
  627    HD1  PHE  83           HD1      PHE  83   2.315  -6.762 -11.893
  628    HD2  PHE  83           HD2      PHE  83   2.348  -7.858  -7.726
  629    HE1  PHE  83           HE1      PHE  83   2.275  -9.154 -12.526
  630    HE2  PHE  83           HE2      PHE  83   2.313 -10.253  -8.354
  631    HZ   PHE  83           HZ       PHE  83   2.351 -10.888 -10.779
  632    H    LEU  84           H        LEU  84   3.455  -3.367 -10.969
  633    HA   LEU  84           HA       LEU  84   3.840  -1.001  -9.217
  634   1HB   LEU  84          1HB       LEU  84   5.260  -1.107 -11.222
  635   2HB   LEU  84          2HB       LEU  84   3.863  -1.430 -12.243
  636    HG   LEU  84           HG       LEU  84   4.836   0.822 -12.440
  637   1HD1  LEU  84          1HD1      LEU  84   2.438   0.415 -13.034
  638   2HD1  LEU  84          2HD1      LEU  84   1.978   1.117 -11.473
  639   3HD1  LEU  84          3HD1      LEU  84   2.859   2.086 -12.656
  640   1HD2  LEU  84          3HD2      LEU  84   5.433   1.152 -10.059
  641   2HD2  LEU  84          1HD2      LEU  84   4.589   2.518 -10.795
  642   3HD2  LEU  84          2HD2      LEU  84   3.705   1.439  -9.697
  643    H    ILE  85           H        ILE  85   1.879   0.079  -8.752
  644    HA   ILE  85           HA       ILE  85  -0.513  -0.707 -10.290
  645    HB   ILE  85           HB       ILE  85  -0.387  -0.577  -7.245
  646   1HG1  ILE  85          1HG1      ILE  85   0.037  -3.004  -9.023
  647   2HG1  ILE  85          2HG1      ILE  85   1.082  -2.414  -7.743
  648   1HG2  ILE  85          1HG2      ILE  85  -2.623  -0.340  -8.418
  649   2HG2  ILE  85          2HG2      ILE  85  -2.384  -1.962  -9.073
  650   3HG2  ILE  85          3HG2      ILE  85  -2.520  -1.709  -7.334
  651   1HD1  ILE  85          3HD1      ILE  85  -1.644  -3.701  -7.290
  652   2HD1  ILE  85          1HD1      ILE  85  -0.084  -4.460  -7.136
  653   3HD1  ILE  85          2HD1      ILE  85  -0.516  -3.116  -6.039
  654    H    ARG  86           H        ARG  86  -2.182   0.812 -10.194
  655    HA   ARG  86           HA       ARG  86  -1.528   3.558  -9.179
  656   1HB   ARG  86          1HB       ARG  86  -3.003   2.640 -11.691
  657   2HB   ARG  86          2HB       ARG  86  -3.005   4.310 -11.113
  658   1HG   ARG  86          1HG       ARG  86  -0.678   4.594 -11.500
  659   2HG   ARG  86          2HG       ARG  86  -0.379   2.866 -11.705
  660   1HD   ARG  86          1HD       ARG  86  -2.073   4.526 -13.603
  661   2HD   ARG  86          2HD       ARG  86  -0.355   4.185 -13.825
  662    HE   ARG  86           HE       ARG  86  -0.841   1.781 -13.926
  663   1HH1  ARG  86          2HH2      ARG  86  -3.539   3.946 -14.704
  664   2HH1  ARG  86          1HH2      ARG  86  -4.384   2.747 -15.630
  665   1HH2  ARG  86          2HH1      ARG  86  -1.936   0.237 -15.009
  666   2HH2  ARG  86          1HH1      ARG  86  -3.385   0.552 -15.890
  667    H    GLY  87           H        GLY  87  -3.221   4.527  -7.934
  668   1HA   GLY  87          1HA       GLY  87  -5.848   3.296  -7.757
  669   2HA   GLY  87          2HA       GLY  87  -4.775   2.973  -6.385
  670    H    SER  88           H        SER  88  -6.695   4.148  -5.412
  671    HA   SER  88           HA       SER  88  -6.131   7.055  -5.163
  672   1HB   SER  88          1HB       SER  88  -8.730   5.491  -4.782
  673   2HB   SER  88          2HB       SER  88  -8.519   7.237  -4.534
  674    HG   SER  88           HG       SER  88  -8.590   7.578  -6.527
  675    H    ALA  89           H        ALA  89  -6.135   7.764  -2.896
  676    HA   ALA  89           HA       ALA  89  -5.894   5.577  -0.849
  677   1HB   ALA  89          1HB       ALA  89  -4.765   8.409  -1.009
  678   2HB   ALA  89          2HB       ALA  89  -4.709   7.406   0.450
  679   3HB   ALA  89          3HB       ALA  89  -3.870   6.871  -1.009
  680    H    ALA  90           H        ALA  90  -6.829   6.167   1.337
  681    HA   ALA  90           HA       ALA  90  -8.350   8.581   1.713
  682   1HB   ALA  90          2HB       ALA  90  -9.848   5.910   1.441
  683   2HB   ALA  90          3HB       ALA  90 -10.550   7.399   2.111
  684   3HB   ALA  90          1HB       ALA  90 -10.068   7.343   0.407
  685    H    PHE  91           H        PHE  91  -8.069   8.996   3.940
  686    HA   PHE  91           HA       PHE  91  -7.101   6.802   5.607
  687   1HB   PHE  91          1HB       PHE  91  -7.446   9.763   6.016
  688   2HB   PHE  91          2HB       PHE  91  -7.234   8.697   7.398
  689    HD1  PHE  91           HD1      PHE  91  -5.218   7.410   7.769
  690    HD2  PHE  91           HD2      PHE  91  -5.547  10.045   4.370
  691    HE1  PHE  91           HE1      PHE  91  -2.788   7.239   7.393
  692    HE2  PHE  91           HE2      PHE  91  -3.100   9.817   3.996
  693    HZ   PHE  91           HZ       PHE  91  -1.712   8.465   5.516
  694    H    ARG  92           H        ARG  92  -7.953   5.992   7.377
  695    HA   ARG  92           HA       ARG  92 -10.622   6.641   8.220
  696   1HB   ARG  92          1HB       ARG  92  -9.989   3.909   7.451
  697   2HB   ARG  92          2HB       ARG  92 -10.965   4.153   8.859
  698   1HG   ARG  92          1HG       ARG  92 -12.524   4.031   7.472
  699   2HG   ARG  92          2HG       ARG  92 -12.376   5.750   7.392
  700   1HD   ARG  92          1HD       ARG  92 -12.157   5.752   5.244
  701   2HD   ARG  92          2HD       ARG  92 -10.798   4.623   5.314
  702    HE   ARG  92           HE       ARG  92 -12.282   2.843   4.739
  703   1HH1  ARG  92          2HH2      ARG  92 -14.399   5.410   5.992
  704   2HH1  ARG  92          1HH2      ARG  92 -15.386   4.286   6.846
  705   1HH2  ARG  92          2HH1      ARG  92 -13.830   1.405   5.581
  706   2HH2  ARG  92          1HH1      ARG  92 -15.302   2.048   6.241
  707    H    THR  93           H        THR  93 -11.150   6.554  10.267
  708    HA   THR  93           HA       THR  93  -9.564   5.227  12.375
  709    HB   THR  93           HB       THR  93 -10.517   7.102  13.806
  710    HG1  THR  93           HG1      THR  93 -12.090   7.936  12.574
  711   1HG2  THR  93          1HG2      THR  93  -8.157   7.144  13.029
  712   2HG2  THR  93          2HG2      THR  93  -8.655   8.012  11.559
  713   3HG2  THR  93          3HG2      THR  93  -8.847   8.771  13.150
  714    H    ASP  94           H        ASP  94 -11.496   4.114  10.484
  715    HA   ASP  94           HA       ASP  94 -13.813   3.251  12.023
  716   1HB   ASP  94          1HB       ASP  94 -14.584   5.365  11.079
  717   2HB   ASP  94          2HB       ASP  94 -13.780   5.059   9.543
  718    H    GLY  95           H        GLY  95 -15.032   1.682  10.801
  719   1HA   GLY  95          1HA       GLY  95 -15.493   0.103   9.293
  720   2HA   GLY  95          2HA       GLY  95 -14.158   0.678   8.288
  721    HA   PRO  96           HA       PRO  96 -13.178  -3.613   9.864
  722   1HB   PRO  96          1HB       PRO  96 -12.990  -4.802   7.382
  723   2HB   PRO  96          2HB       PRO  96 -14.474  -4.756   8.381
  724   1HG   PRO  96          1HG       PRO  96 -13.698  -2.884   6.122
  725   2HG   PRO  96          2HG       PRO  96 -15.266  -3.717   6.385
  726   1HD   PRO  96          1HD       PRO  96 -14.916  -1.152   7.140
  727   2HD   PRO  96          2HD       PRO  96 -15.820  -2.278   8.196
  728    H    GLU  97           H        GLU  97 -12.036  -1.122   7.735
  729    HA   GLU  97           HA       GLU  97  -9.365  -2.073   7.290
  730   1HB   GLU  97          1HB       GLU  97 -10.504   0.787   7.435
  731   2HB   GLU  97          2HB       GLU  97  -8.900   0.339   6.873
  732   1HG   GLU  97          1HG       GLU  97  -9.806   0.318   4.834
  733   2HG   GLU  97          2HG       GLU  97 -10.372  -1.262   5.269
  734    H    PHE  98           H        PHE  98 -10.680   0.394   9.584
  735    HA   PHE  98           HA       PHE  98  -8.246   0.525  11.034
  736   1HB   PHE  98          1HB       PHE  98 -10.030   2.306  10.855
  737   2HB   PHE  98          2HB       PHE  98 -10.948   1.399  12.059
  738    HD1  PHE  98           HD1      PHE  98  -7.392   2.579  11.493
  739    HD2  PHE  98           HD2      PHE  98 -10.666   2.228  14.281
  740    HE1  PHE  98           HE1      PHE  98  -5.985   3.574  13.277
  741    HE2  PHE  98           HE2      PHE  98  -9.272   3.288  16.033
  742    HZ   PHE  98           HZ       PHE  98  -6.901   3.934  15.531
  743    H    GLU  99           H        GLU  99 -11.169  -1.490  11.443
  744    HA   GLU  99           HA       GLU  99 -10.512  -2.557  13.990
  745   1HB   GLU  99          1HB       GLU  99 -11.948  -3.785  11.605
  746   2HB   GLU  99          2HB       GLU  99 -11.857  -4.554  13.182
  747   1HG   GLU  99          1HG       GLU  99 -13.200  -2.862  14.213
  748   2HG   GLU  99          2HG       GLU  99 -13.131  -1.823  12.787
  749    H    ALA 100           H        ALA 100  -9.901  -3.978  10.697
  750    HA   ALA 100           HA       ALA 100  -8.359  -6.115  11.839
  751   1HB   ALA 100          1HB       ALA 100  -8.857  -5.239   9.044
  752   2HB   ALA 100          2HB       ALA 100  -7.727  -6.577   9.429
  753   3HB   ALA 100          3HB       ALA 100  -9.449  -6.651   9.894
  754    H    ILE 101           H        ILE 101  -7.411  -2.823  11.084
  755    HA   ILE 101           HA       ILE 101  -4.581  -3.686  11.467
  756    HB   ILE 101           HB       ILE 101  -3.721  -1.655  10.927
  757   1HG1  ILE 101          1HG1      ILE 101  -5.268   0.224  10.085
  758   2HG1  ILE 101          2HG1      ILE 101  -6.462  -0.517  11.179
  759   1HG2  ILE 101          1HG2      ILE 101  -4.490  -3.141   9.102
  760   2HG2  ILE 101          2HG2      ILE 101  -5.936  -2.109   8.948
  761   3HG2  ILE 101          3HG2      ILE 101  -4.328  -1.436   8.649
  762   1HD1  ILE 101          1HD1      ILE 101  -3.704   0.376  12.054
  763   2HD1  ILE 101          2HD1      ILE 101  -5.114   1.449  12.079
  764   3HD1  ILE 101          3HD1      ILE 101  -5.099   0.005  13.097
  765    H    ALA 102           H        ALA 102  -7.182  -2.584  13.458
  766    HA   ALA 102           HA       ALA 102  -5.993  -1.355  15.572
  767   1HB   ALA 102          1HB       ALA 102  -8.436  -1.841  15.384
  768   2HB   ALA 102          2HB       ALA 102  -8.103  -3.517  15.893
  769   3HB   ALA 102          3HB       ALA 102  -7.762  -2.172  16.985
  770    H    ARG 103           H        ARG 103  -5.529  -4.643  14.671
  771    HA   ARG 103           HA       ARG 103  -4.470  -5.830  17.013
  772   1HB   ARG 103          1HB       ARG 103  -3.222  -7.330  15.493
  773   2HB   ARG 103          2HB       ARG 103  -4.904  -7.139  14.997
  774   1HG   ARG 103          1HG       ARG 103  -4.204  -5.513  13.253
  775   2HG   ARG 103          2HG       ARG 103  -2.512  -5.725  13.705
  776   1HD   ARG 103          1HD       ARG 103  -2.437  -7.954  12.919
  777   2HD   ARG 103          2HD       ARG 103  -4.203  -8.087  12.867
  778    HE   ARG 103           HE       ARG 103  -4.248  -6.417  11.117
  779   1HH1  ARG 103          2HH2      ARG 103  -1.233  -8.327  11.378
  780   2HH1  ARG 103          1HH2      ARG 103  -0.734  -8.034   9.754
  781   1HH2  ARG 103          2HH1      ARG 103  -3.543  -5.996   9.001
  782   2HH2  ARG 103          1HH1      ARG 103  -2.170  -6.751   8.293
  783    H    PHE 104           H        PHE 104  -2.928  -3.468  14.826
  784    HA   PHE 104           HA       PHE 104  -0.295  -3.754  16.169
  785   1HB   PHE 104          1HB       PHE 104  -1.331  -1.460  14.438
  786   2HB   PHE 104          2HB       PHE 104   0.349  -1.872  14.762
  787    HD1  PHE 104           HD2      PHE 104   0.862  -4.528  14.091
  788    HD2  PHE 104           HD1      PHE 104  -2.006  -1.887  12.270
  789    HE1  PHE 104           HE2      PHE 104   0.914  -5.904  12.029
  790    HE2  PHE 104           HE1      PHE 104  -1.967  -3.279  10.203
  791    HZ   PHE 104           HZ       PHE 104  -0.520  -5.280  10.097
  792    H    LYS 105           H        LYS 105   0.492  -1.421  17.427
  793    HA   LYS 105           HA       LYS 105  -1.984   0.010  18.222
  794   1HB   LYS 105          1HB       LYS 105  -1.279  -1.962  19.735
  795   2HB   LYS 105          2HB       LYS 105   0.168  -1.043  20.081
  796   1HG   LYS 105          1HG       LYS 105  -0.831   0.250  21.496
  797   2HG   LYS 105          2HG       LYS 105  -2.110   0.729  20.385
  798   1HD   LYS 105          1HD       LYS 105  -2.188  -1.490  22.391
  799   2HD   LYS 105          2HD       LYS 105  -3.336  -0.200  22.112
  800   1HE   LYS 105          1HE       LYS 105  -3.002  -2.821  20.617
  801   2HE   LYS 105          2HE       LYS 105  -4.413  -2.218  21.474
  802   1HZ   LYS 105          2HZ       LYS 105  -4.673  -0.584  19.629
  803   2HZ   LYS 105          3HZ       LYS 105  -3.415  -1.321  18.833
  804   3HZ   LYS 105          1HZ       LYS 105  -4.733  -2.145  19.092
  805    H    TRP 106           H        TRP 106   0.948   0.335  16.708
  806    HA   TRP 106           HA       TRP 106   1.434   3.056  17.779
  807   1HB   TRP 106          1HB       TRP 106   3.356   2.869  16.117
  808   2HB   TRP 106          2HB       TRP 106   3.416   1.800  17.497
  809    HD1  TRP 106           HD1      TRP 106   3.796  -0.662  17.059
  810    HE1  TRP 106           HE1      TRP 106   4.030  -2.161  14.989
  811    HE3  TRP 106           HE3      TRP 106   2.203   2.623  13.449
  812    HZ2  TRP 106           HZ2      TRP 106   3.617  -1.963  12.128
  813    HZ3  TRP 106           HZ3      TRP 106   2.186   1.952  11.074
  814    HH2  TRP 106           HH2      TRP 106   2.974  -0.297  10.407
  815    H    ALA 107           H        ALA 107  -0.926   1.837  15.953
  816    HA   ALA 107           HA       ALA 107  -0.606   3.493  13.539
  817   1HB   ALA 107          2HB       ALA 107  -1.394   1.129  13.294
  818   2HB   ALA 107          3HB       ALA 107  -2.788   1.509  14.333
  819   3HB   ALA 107          1HB       ALA 107  -2.604   2.326  12.769
  820    H    ARG 108           H        ARG 108  -1.583   5.446  13.482
  821    HA   ARG 108           HA       ARG 108  -3.625   6.133  15.545
  822   1HB   ARG 108          1HB       ARG 108  -1.617   7.561  15.285
  823   2HB   ARG 108          2HB       ARG 108  -2.051   7.856  13.595
  824   1HG   ARG 108          1HG       ARG 108  -4.073   9.056  14.281
  825   2HG   ARG 108          2HG       ARG 108  -3.835   8.593  15.963
  826   1HD   ARG 108          1HD       ARG 108  -3.184  10.979  15.374
  827   2HD   ARG 108          2HD       ARG 108  -1.974  10.025  16.233
  828    HE   ARG 108           HE       ARG 108  -0.542  10.470  14.552
  829   1HH1  ARG 108          2HH2      ARG 108  -3.782  10.505  12.954
  830   2HH1  ARG 108          1HH2      ARG 108  -3.072  10.732  11.393
  831   1HH2  ARG 108          2HH1      ARG 108   0.283  10.911  12.429
  832   2HH2  ARG 108          1HH1      ARG 108  -0.915  11.122  11.173
  833    H    ALA 109           H        ALA 109  -3.408   5.209  12.216
  834    HA   ALA 109           HA       ALA 109  -6.231   5.391  11.791
  835   1HB   ALA 109          3HB       ALA 109  -5.689   7.784  11.383
  836   2HB   ALA 109          1HB       ALA 109  -4.514   7.324  10.154
  837   3HB   ALA 109          2HB       ALA 109  -6.215   6.957   9.912
  838    H    ALA 110           H        ALA 110  -6.739   4.648   9.635
  839    HA   ALA 110           HA       ALA 110  -4.909   2.609   8.522
  840   1HB   ALA 110          1HB       ALA 110  -7.944   2.974   8.667
  841   2HB   ALA 110          2HB       ALA 110  -7.212   1.882   7.526
  842   3HB   ALA 110          3HB       ALA 110  -6.975   1.611   9.264
  843    H    LEU 111           H        LEU 111  -3.851   3.432   6.765
  844    HA   LEU 111           HA       LEU 111  -5.016   5.480   4.932
  845   1HB   LEU 111          1HB       LEU 111  -2.628   5.653   5.460
  846   2HB   LEU 111          2HB       LEU 111  -2.368   3.957   5.131
  847    HG   LEU 111           HG       LEU 111  -2.671   4.258   2.760
  848   1HD1  LEU 111          2HD1      LEU 111  -3.469   7.119   3.390
  849   2HD1  LEU 111          3HD1      LEU 111  -3.043   6.534   1.777
  850   3HD1  LEU 111          1HD1      LEU 111  -4.465   5.881   2.603
  851   1HD2  LEU 111          3HD2      LEU 111  -0.458   4.808   3.714
  852   2HD2  LEU 111          1HD2      LEU 111  -0.802   5.756   2.259
  853   3HD2  LEU 111          2HD2      LEU 111  -0.943   6.511   3.857
  854    H    VAL 112           H        VAL 112  -6.755   4.495   4.006
  855    HA   VAL 112           HA       VAL 112  -6.645   1.699   3.144
  856    HB   VAL 112           HB       VAL 112  -8.875   3.767   2.817
  857   1HG1  VAL 112          1HG1      VAL 112  -8.832   0.752   2.745
  858   2HG1  VAL 112          2HG1      VAL 112 -10.274   1.791   2.732
  859   3HG1  VAL 112          3HG1      VAL 112  -9.116   1.871   1.399
  860   1HG2  VAL 112          3HG2      VAL 112  -8.266   1.967   5.190
  861   2HG2  VAL 112          1HG2      VAL 112  -8.514   3.722   5.187
  862   3HG2  VAL 112          2HG2      VAL 112  -9.874   2.653   4.870
  863    H    ILE 113           H        ILE 113  -6.229   1.161   0.994
  864    HA   ILE 113           HA       ILE 113  -6.215   3.381  -0.978
  865    HB   ILE 113           HB       ILE 113  -4.488   0.874  -0.912
  866   1HG1  ILE 113          1HG1      ILE 113  -3.603   2.267   0.811
  867   2HG1  ILE 113          2HG1      ILE 113  -2.585   2.409  -0.604
  868   1HG2  ILE 113          3HG2      ILE 113  -4.438   3.208  -2.864
  869   2HG2  ILE 113          1HG2      ILE 113  -3.219   1.929  -2.774
  870   3HG2  ILE 113          2HG2      ILE 113  -4.876   1.526  -3.215
  871   1HD1  ILE 113          3HD1      ILE 113  -3.799   4.575  -1.152
  872   2HD1  ILE 113          1HD1      ILE 113  -4.397   4.504   0.516
  873   3HD1  ILE 113          2HD1      ILE 113  -2.668   4.572   0.207
  874    H    THR 114           H        THR 114  -7.257   2.961  -2.859
  875    HA   THR 114           HA       THR 114  -8.541   0.310  -3.327
  876    HB   THR 114           HB       THR 114  -9.767   3.071  -3.520
  877    HG1  THR 114           HG1      THR 114 -10.797   0.573  -2.736
  878   1HG2  THR 114          3HG2      THR 114 -10.709   0.545  -4.970
  879   2HG2  THR 114          1HG2      THR 114 -11.679   2.024  -4.740
  880   3HG2  THR 114          2HG2      THR 114 -10.214   2.074  -5.722
  881    H    VAL 115           H        VAL 115  -7.355  -0.562  -4.801
  882    HA   VAL 115           HA       VAL 115  -5.583   0.826  -6.623
  883    HB   VAL 115           HB       VAL 115  -6.439  -2.044  -6.062
  884   1HG1  VAL 115          3HG1      VAL 115  -4.737  -1.114  -8.365
  885   2HG1  VAL 115          1HG1      VAL 115  -4.656  -2.759  -7.687
  886   3HG1  VAL 115          2HG1      VAL 115  -6.164  -2.155  -8.386
  887   1HG2  VAL 115          3HG2      VAL 115  -3.807  -0.556  -5.751
  888   2HG2  VAL 115          1HG2      VAL 115  -4.896  -1.082  -4.455
  889   3HG2  VAL 115          2HG2      VAL 115  -4.061  -2.290  -5.428
  890    H    VAL 116           H        VAL 116  -5.816   0.701  -8.934
  891    HA   VAL 116           HA       VAL 116  -8.582   0.359  -9.966
  892    HB   VAL 116           HB       VAL 116  -6.525   2.493 -10.666
  893   1HG1  VAL 116          1HG1      VAL 116  -9.218   1.894 -11.969
  894   2HG1  VAL 116          2HG1      VAL 116  -8.227   3.337 -12.272
  895   3HG1  VAL 116          3HG1      VAL 116  -7.621   1.742 -12.734
  896   1HG2  VAL 116          1HG2      VAL 116  -7.874   2.999  -8.622
  897   2HG2  VAL 116          2HG2      VAL 116  -8.293   4.075  -9.955
  898   3HG2  VAL 116          3HG2      VAL 116  -9.357   2.716  -9.537
  899    H    SER 117           H        SER 117  -4.983   0.330 -10.751
  900    HA   SER 117           HA       SER 117  -5.470  -2.239 -12.019
  901   1HB   SER 117          1HB       SER 117  -4.311   0.102 -13.574
  902   2HB   SER 117          2HB       SER 117  -4.366  -1.573 -14.157
  903    HG   SER 117           HG       SER 117  -6.816  -0.836 -13.356
  904    H    ALA 118           H        ALA 118  -3.717  -3.538 -11.995
  905    HA   ALA 118           HA       ALA 118  -1.101  -2.588 -11.021
  906   1HB   ALA 118          3HB       ALA 118  -2.320  -4.186  -9.443
  907   2HB   ALA 118          1HB       ALA 118  -2.369  -5.366 -10.771
  908   3HB   ALA 118          2HB       ALA 118  -0.814  -4.854 -10.112
  909    H    GLU 119           H        GLU 119   0.633  -3.156 -12.273
  910    HA   GLU 119           HA       GLU 119   0.395  -5.076 -14.466
  911   1HB   GLU 119          1HB       GLU 119   1.544  -3.526 -15.963
  912   2HB   GLU 119          2HB       GLU 119  -0.166  -3.273 -15.707
  913   1HG   GLU 119          1HG       GLU 119   1.791  -1.813 -13.944
  914   2HG   GLU 119          2HG       GLU 119   1.638  -1.370 -15.644
  915    H    GLN 120           H        GLN 120   2.718  -5.514 -15.369
  916    HA   GLN 120           HA       GLN 120   4.360  -5.910 -12.943
  917   1HB   GLN 120          1HB       GLN 120   3.783  -7.913 -14.254
  918   2HB   GLN 120          2HB       GLN 120   4.572  -7.227 -15.677
  919   1HG   GLN 120          1HG       GLN 120   5.993  -8.908 -14.526
  920   2HG   GLN 120          2HG       GLN 120   6.762  -7.331 -14.567
  921   1HE2  GLN 120          2HE2      GLN 120   5.714  -8.893 -10.958
  922   2HE2  GLN 120          1HE2      GLN 120   5.511  -9.871 -12.419
  923    H    THR 121           H        THR 121   6.339  -5.219 -12.746
  924    HA   THR 121           HA       THR 121   7.717  -3.708 -14.865
  925    HB   THR 121           HB       THR 121   8.526  -2.109 -13.123
  926    HG1  THR 121           HG1      THR 121   7.967  -3.197 -11.248
  927   1HG2  THR 121          1HG2      THR 121   6.752  -1.548 -14.766
  928   2HG2  THR 121          2HG2      THR 121   5.523  -2.111 -13.625
  929   3HG2  THR 121          3HG2      THR 121   6.538  -0.705 -13.222
  930    H    LEU 122           H        LEU 122   8.060  -5.489 -11.772
  931    HA   LEU 122           HA       LEU 122  10.962  -5.721 -12.255
  932   1HB   LEU 122          1HB       LEU 122  11.222  -6.246  -9.923
  933   2HB   LEU 122          2HB       LEU 122  10.669  -4.602 -10.159
  934    HG   LEU 122           HG       LEU 122   8.777  -6.872  -9.400
  935   1HD1  LEU 122          2HD1      LEU 122  10.381  -5.025  -7.580
  936   2HD1  LEU 122          3HD1      LEU 122   9.054  -6.071  -7.040
  937   3HD1  LEU 122          1HD1      LEU 122  10.509  -6.806  -7.703
  938   1HD2  LEU 122          3HD2      LEU 122   8.582  -3.837  -9.227
  939   2HD2  LEU 122          1HD2      LEU 122   7.493  -4.975 -10.077
  940   3HD2  LEU 122          2HD2      LEU 122   7.510  -4.917  -8.329
  941    HN3  FMN 123           HN3      FMN 123   2.547   2.793   8.676
  942    H6   FMN 123           H6       FMN 123   8.193  -0.430   6.093
  943   1HM7  FMN 123          1HM7      FMN 123   9.932  -0.905   4.524
  944   2HM7  FMN 123          2HM7      FMN 123  11.067   0.332   4.005
  945   3HM7  FMN 123          3HM7      FMN 123  11.380  -0.550   5.511
  946   1HM8  FMN 123          1HM8      FMN 123  11.614   2.670   4.161
  947   2HM8  FMN 123          2HM8      FMN 123  11.937   3.639   5.603
  948   3HM8  FMN 123          3HM8      FMN 123  12.432   1.942   5.566
  949    H9   FMN 123           H9       FMN 123   9.927   4.194   6.603
  950   1H1*  FMN 123          1H1*      FMN 123   7.817   5.230   9.292
  951   2H1*  FMN 123          2H1*      FMN 123   9.209   5.036   8.299
  952    H2*  FMN 123           H2*      FMN 123   8.235   7.236   8.034
  953   *HO2  FMN 123          *HO2      FMN 123   6.206   7.431   8.084
  954    H3*  FMN 123           H3*      FMN 123   8.042   5.502   5.574
  955   *HO3  FMN 123          *HO3      FMN 123   9.744   7.111   5.109
  956    H4*  FMN 123           H4*      FMN 123   6.489   7.171   4.994
  957   *HO4  FMN 123          *HO4      FMN 123   7.826   8.494   3.570
  958   1H5*  FMN 123          1H5*      FMN 123   6.845   8.983   6.690
  959   2H5*  FMN 123          2H5*      FMN 123   8.320   9.462   5.826
   
  No H/Q in entry =         959
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -8.349  -3.639 -11.306
    2   2H    MET   1          2H        MET   1  -9.930  -3.900 -10.859
    3   3H    MET   1          3H        MET   1  -8.752  -3.792  -9.727
    4    HA   MET   1           HA       MET   1  -9.100  -6.006  -9.787
    5   1HB   MET   1          1HB       MET   1  -9.161  -5.803 -12.823
    6   2HB   MET   1          2HB       MET   1  -9.196  -7.304 -11.886
    7   1HG   MET   1          1HG       MET   1 -11.447  -6.851 -12.486
    8   2HG   MET   1          2HG       MET   1 -11.281  -6.547 -10.763
    9   1HE   MET   1          1HE       MET   1 -12.194  -5.163 -14.260
   10   2HE   MET   1          2HE       MET   1 -12.102  -3.401 -14.068
   11   3HE   MET   1          3HE       MET   1 -10.610  -4.364 -14.100
   12    H    LEU   2           H        LEU   2  -7.328  -7.661  -9.888
   13    HA   LEU   2           HA       LEU   2  -4.720  -6.524 -10.708
   14   1HB   LEU   2          1HB       LEU   2  -5.594  -7.474  -7.934
   15   2HB   LEU   2          2HB       LEU   2  -3.923  -7.376  -8.425
   16    HG   LEU   2           HG       LEU   2  -4.179  -4.904  -8.799
   17   1HD1  LEU   2          2HD1      LEU   2  -6.971  -5.477  -7.977
   18   2HD1  LEU   2          3HD1      LEU   2  -6.218  -4.040  -7.276
   19   3HD1  LEU   2          1HD1      LEU   2  -6.306  -4.181  -9.014
   20   1HD2  LEU   2          2HD2      LEU   2  -4.781  -6.040  -6.034
   21   2HD2  LEU   2          3HD2      LEU   2  -3.186  -5.779  -6.773
   22   3HD2  LEU   2          1HD2      LEU   2  -4.176  -4.402  -6.332
   23    HA   PRO   3           HA       PRO   3  -4.062 -10.840 -11.772
   24   1HB   PRO   3          1HB       PRO   3  -1.371 -11.206 -11.148
   25   2HB   PRO   3          2HB       PRO   3  -1.938 -10.339 -12.585
   26   1HG   PRO   3          1HG       PRO   3  -1.054  -9.176  -9.951
   27   2HG   PRO   3          2HG       PRO   3  -0.625  -8.637 -11.609
   28   1HD   PRO   3          1HD       PRO   3  -2.548  -7.414 -10.156
   29   2HD   PRO   3          2HD       PRO   3  -2.732  -7.625 -11.921
   30    H    GLY   4           H        GLY   4  -3.852 -12.926 -10.765
   31   1HA   GLY   4          1HA       GLY   4  -4.376 -13.189  -7.997
   32   2HA   GLY   4          2HA       GLY   4  -3.751 -14.472  -9.051
   33    H    THR   5           H        THR   5  -1.261 -13.299  -9.850
   34    HA   THR   5           HA       THR   5   0.481 -13.996  -7.909
   35    HB   THR   5           HB       THR   5   1.087 -11.801  -9.925
   36    HG1  THR   5           HG1      THR   5   1.372 -13.642 -11.378
   37   1HG2  THR   5          1HG2      THR   5   2.934 -12.683  -8.454
   38   2HG2  THR   5          2HG2      THR   5   2.605 -14.318  -9.055
   39   3HG2  THR   5          3HG2      THR   5   3.202 -13.063 -10.164
   40    H    PHE   6           H        PHE   6  -1.002 -10.705  -8.317
   41    HA   PHE   6           HA       PHE   6   0.658  -9.324  -6.438
   42   1HB   PHE   6          1HB       PHE   6  -0.864  -8.003  -7.706
   43   2HB   PHE   6          2HB       PHE   6  -2.246  -8.982  -7.234
   44    HD1  PHE   6           HD2      PHE   6   0.031  -6.294  -6.109
   45    HD2  PHE   6           HD1      PHE   6  -3.380  -8.742  -5.095
   46    HE1  PHE   6           HE2      PHE   6  -0.513  -4.790  -4.201
   47    HE2  PHE   6           HE1      PHE   6  -3.877  -7.273  -3.187
   48    HZ   PHE   6           HZ       PHE   6  -2.439  -5.280  -2.734
   49    H    PHE   7           H        PHE   7  -2.341 -11.213  -5.892
   50    HA   PHE   7           HA       PHE   7  -2.450 -10.828  -3.080
   51   1HB   PHE   7          1HB       PHE   7  -3.605 -13.080  -4.769
   52   2HB   PHE   7          2HB       PHE   7  -3.964 -12.784  -3.081
   53    HD1  PHE   7           HD2      PHE   7  -4.385 -11.455  -6.524
   54    HD2  PHE   7           HD1      PHE   7  -5.458 -10.990  -2.379
   55    HE1  PHE   7           HE2      PHE   7  -6.141  -9.840  -7.169
   56    HE2  PHE   7           HE1      PHE   7  -7.236  -9.378  -3.026
   57    HZ   PHE   7           HZ       PHE   7  -7.571  -8.787  -5.409
   58    H    GLU   8           H        GLU   8  -1.056 -13.478  -5.073
   59    HA   GLU   8           HA       GLU   8  -0.055 -14.953  -2.881
   60   1HB   GLU   8          1HB       GLU   8   1.136 -14.752  -5.681
   61   2HB   GLU   8          2HB       GLU   8   1.506 -15.991  -4.482
   62   1HG   GLU   8          1HG       GLU   8  -1.130 -15.553  -5.927
   63   2HG   GLU   8          2HG       GLU   8  -0.060 -16.946  -6.022
   64    H    VAL   9           H        VAL   9   1.439 -12.079  -4.458
   65    HA   VAL   9           HA       VAL   9   3.855 -12.382  -2.882
   66    HB   VAL   9           HB       VAL   9   2.748  -9.926  -4.320
   67   1HG1  VAL   9          2HG1      VAL   9   5.344 -10.424  -2.811
   68   2HG1  VAL   9          3HG1      VAL   9   5.243  -9.218  -4.096
   69   3HG1  VAL   9          1HG1      VAL   9   4.222  -9.056  -2.654
   70   1HG2  VAL   9          2HG2      VAL   9   3.470 -11.854  -5.800
   71   2HG2  VAL   9          3HG2      VAL   9   4.452 -10.403  -5.996
   72   3HG2  VAL   9          1HG2      VAL   9   5.066 -11.779  -5.051
   73    H    LEU  10           H        LEU  10   0.765 -10.565  -2.374
   74    HA   LEU  10           HA       LEU  10   1.520  -9.445   0.148
   75   1HB   LEU  10          1HB       LEU  10  -1.143 -10.092  -1.062
   76   2HB   LEU  10          2HB       LEU  10  -1.060  -9.671   0.629
   77    HG   LEU  10           HG       LEU  10  -1.603  -7.831  -1.085
   78   1HD1  LEU  10          2HD1      LEU  10  -1.109  -7.443   1.315
   79   2HD1  LEU  10          3HD1      LEU  10   0.615  -7.329   0.936
   80   3HD1  LEU  10          1HD1      LEU  10  -0.519  -6.127   0.288
   81   1HD2  LEU  10          3HD2      LEU  10   0.221  -8.143  -2.694
   82   2HD2  LEU  10          1HD2      LEU  10   0.242  -6.533  -1.975
   83   3HD2  LEU  10          2HD2      LEU  10   1.414  -7.743  -1.431
   84    H    LYS  11           H        LYS  11   0.150 -12.664  -0.577
   85    HA   LYS  11           HA       LYS  11  -0.057 -13.571   2.108
   86   1HB   LYS  11          1HB       LYS  11   0.637 -15.165  -0.398
   87   2HB   LYS  11          2HB       LYS  11   0.338 -15.860   1.185
   88   1HG   LYS  11          1HG       LYS  11  -1.915 -14.264   0.848
   89   2HG   LYS  11          2HG       LYS  11  -1.606 -14.816  -0.800
   90   1HD   LYS  11          1HD       LYS  11  -1.853 -16.596   1.666
   91   2HD   LYS  11          2HD       LYS  11  -3.155 -16.309   0.518
   92   1HE   LYS  11          1HE       LYS  11  -0.491 -17.383  -0.457
   93   2HE   LYS  11          2HE       LYS  11  -1.629 -18.479   0.336
   94   1HZ   LYS  11          1HZ       LYS  11  -2.349 -16.838  -2.035
   95   2HZ   LYS  11          2HZ       LYS  11  -1.733 -18.243  -2.185
   96   3HZ   LYS  11          3HZ       LYS  11  -3.200 -18.108  -1.410
   97    H    ASN  12           H        ASN  12   2.836 -12.672   0.487
   98    HA   ASN  12           HA       ASN  12   4.509 -14.257   2.359
   99   1HB   ASN  12          1HB       ASN  12   5.090 -13.275  -0.468
  100   2HB   ASN  12          2HB       ASN  12   6.344 -13.833   0.618
  101   1HD2  ASN  12          2HD2      ASN  12   4.003 -16.619  -1.189
  102   2HD2  ASN  12          1HD2      ASN  12   3.475 -14.955  -1.269
  103    H    GLU  13           H        GLU  13   6.672 -13.127   2.583
  104    HA   GLU  13           HA       GLU  13   6.343 -10.433   3.707
  105   1HB   GLU  13          1HB       GLU  13   7.847 -12.104   4.750
  106   2HB   GLU  13          2HB       GLU  13   8.615 -12.411   3.208
  107   1HG   GLU  13          1HG       GLU  13   9.260  -9.765   3.474
  108   2HG   GLU  13          2HG       GLU  13   9.124 -10.221   5.178
  109    H    GLY  14           H        GLY  14   6.645  -8.605   2.575
  110   1HA   GLY  14          1HA       GLY  14   8.454  -8.400   0.385
  111   2HA   GLY  14          2HA       GLY  14   6.735  -8.267  -0.088
  112    H    VAL  15           H        VAL  15   8.259  -6.120  -0.429
  113    HA   VAL  15           HA       VAL  15   7.742  -4.238   1.817
  114    HB   VAL  15           HB       VAL  15   9.709  -4.009  -0.515
  115   1HG1  VAL  15          2HG1      VAL  15   9.188  -2.116   1.827
  116   2HG1  VAL  15          3HG1      VAL  15  10.520  -1.961   0.662
  117   3HG1  VAL  15          1HG1      VAL  15   8.855  -1.789   0.112
  118   1HG2  VAL  15          3HG2      VAL  15  10.240  -4.375   2.459
  119   2HG2  VAL  15          1HG2      VAL  15  10.552  -5.584   1.197
  120   3HG2  VAL  15          2HG2      VAL  15  11.478  -4.080   1.223
  121    H    VAL  16           H        VAL  16   6.498  -2.438   1.207
  122    HA   VAL  16           HA       VAL  16   5.512  -2.282  -1.546
  123    HB   VAL  16           HB       VAL  16   3.697  -1.992   0.854
  124   1HG1  VAL  16          2HG1      VAL  16   3.155  -2.041  -2.133
  125   2HG1  VAL  16          3HG1      VAL  16   1.886  -2.248  -0.914
  126   3HG1  VAL  16          1HG1      VAL  16   2.793  -0.742  -0.977
  127   1HG2  VAL  16          1HG2      VAL  16   4.038  -4.418  -0.915
  128   2HG2  VAL  16          2HG2      VAL  16   4.209  -4.315   0.842
  129   3HG2  VAL  16          3HG2      VAL  16   2.621  -4.150   0.105
  130    H    ALA  17           H        ALA  17   4.657  -0.055  -1.911
  131    HA   ALA  17           HA       ALA  17   5.458   1.970  -0.005
  132   1HB   ALA  17          1HB       ALA  17   7.468   1.403  -1.545
  133   2HB   ALA  17          2HB       ALA  17   6.470   1.946  -2.881
  134   3HB   ALA  17          3HB       ALA  17   6.950   3.089  -1.619
  135    H    ILE  18           H        ILE  18   4.539   4.100  -0.729
  136    HA   ILE  18           HA       ILE  18   2.365   3.922  -2.730
  137    HB   ILE  18           HB       ILE  18   2.005   4.828   0.158
  138   1HG1  ILE  18          1HG1      ILE  18   0.493   2.729  -1.464
  139   2HG1  ILE  18          2HG1      ILE  18   1.747   2.362  -0.275
  140   1HG2  ILE  18          1HG2      ILE  18   0.892   6.440  -1.413
  141   2HG2  ILE  18          2HG2      ILE  18   0.008   5.082  -2.144
  142   3HG2  ILE  18          3HG2      ILE  18  -0.265   5.568  -0.454
  143   1HD1  ILE  18          3HD1      ILE  18   0.378   3.376   1.519
  144   2HD1  ILE  18          1HD1      ILE  18  -0.934   3.659   0.346
  145   3HD1  ILE  18          2HD1      ILE  18  -0.427   2.020   0.702
  146    H    ALA  19           H        ALA  19   2.699   5.644  -4.087
  147    HA   ALA  19           HA       ALA  19   4.263   7.999  -3.166
  148   1HB   ALA  19          2HB       ALA  19   4.575   6.781  -5.540
  149   2HB   ALA  19          3HB       ALA  19   3.199   7.815  -5.960
  150   3HB   ALA  19          1HB       ALA  19   4.699   8.525  -5.348
  151    H    THR  20           H        THR  20   3.012   9.328  -2.032
  152    HA   THR  20           HA       THR  20   0.107   9.345  -2.435
  153    HB   THR  20           HB       THR  20   1.703  11.052  -0.450
  154    HG1  THR  20           HG1      THR  20   2.511   8.997  -0.201
  155   1HG2  THR  20          1HG2      THR  20  -0.859  11.190  -0.836
  156   2HG2  THR  20          2HG2      THR  20  -0.940   9.504  -0.326
  157   3HG2  THR  20          3HG2      THR  20  -0.373  10.754   0.804
  158    H    GLN  21           H        GLN  21  -0.784  11.049  -4.069
  159    HA   GLN  21           HA       GLN  21   1.100  13.215  -4.597
  160   1HB   GLN  21          1HB       GLN  21  -0.338  12.479  -6.432
  161   2HB   GLN  21          2HB       GLN  21  -1.775  12.939  -5.501
  162   1HG   GLN  21          1HG       GLN  21  -1.135  14.664  -7.160
  163   2HG   GLN  21          2HG       GLN  21  -1.137  15.286  -5.528
  164   1HE2  GLN  21          2HE2      GLN  21   2.171  15.789  -7.690
  165   2HE2  GLN  21          1HE2      GLN  21   0.663  15.134  -8.341
  166    H    GLY  22           H        GLY  22   1.098  15.114  -3.769
  167   1HA   GLY  22          1HA       GLY  22  -1.015  16.028  -1.897
  168   2HA   GLY  22          2HA       GLY  22   0.638  16.032  -1.278
  169    H    GLU  23           H        GLU  23   2.278  17.070  -2.580
  170    HA   GLU  23           HA       GLU  23   1.590  19.362  -4.235
  171   1HB   GLU  23          1HB       GLU  23   1.034  20.090  -1.836
  172   2HB   GLU  23          2HB       GLU  23   2.690  19.725  -1.396
  173   1HG   GLU  23          1HG       GLU  23   2.799  22.002  -1.698
  174   2HG   GLU  23          2HG       GLU  23   3.338  21.462  -3.285
  175    H    ASP  24           H        ASP  24   4.032  17.740  -2.038
  176    HA   ASP  24           HA       ASP  24   6.314  18.887  -3.392
  177   1HB   ASP  24          1HB       ASP  24   7.522  17.638  -1.699
  178   2HB   ASP  24          2HB       ASP  24   6.125  18.359  -0.928
  179    H    GLY  25           H        GLY  25   4.594  17.334  -5.203
  180   1HA   GLY  25          1HA       GLY  25   5.053  15.755  -6.935
  181   2HA   GLY  25          2HA       GLY  25   6.583  15.326  -6.131
  182    HA   PRO  26           HA       PRO  26   2.984  12.773  -4.439
  183   1HB   PRO  26          1HB       PRO  26   3.358  10.271  -5.626
  184   2HB   PRO  26          2HB       PRO  26   2.088  11.449  -5.986
  185   1HG   PRO  26          1HG       PRO  26   4.705  10.939  -7.433
  186   2HG   PRO  26          2HG       PRO  26   3.123  11.354  -8.156
  187   1HD   PRO  26          1HD       PRO  26   5.205  13.169  -7.769
  188   2HD   PRO  26          2HD       PRO  26   3.477  13.646  -7.799
  189    H    HIS  27           H        HIS  27   3.570  11.601  -2.722
  190    HA   HIS  27           HA       HIS  27   6.525  11.423  -2.301
  191   1HB   HIS  27          1HB       HIS  27   5.066  12.975  -0.937
  192   2HB   HIS  27          2HB       HIS  27   4.374  11.564  -0.165
  193    HD1  HIS  27           HD1      HIS  27   7.847  13.049  -0.803
  194    HD2  HIS  27           HD2      HIS  27   5.703  10.834   2.032
  195    HE1  HIS  27           HE1      HIS  27   9.591  12.222   0.912
  196    H    LEU  28           H        LEU  28   7.280   9.445  -2.698
  197    HA   LEU  28           HA       LEU  28   5.740   7.029  -2.273
  198   1HB   LEU  28          1HB       LEU  28   7.126   7.493  -4.260
  199   2HB   LEU  28          2HB       LEU  28   8.571   7.377  -3.262
  200    HG   LEU  28           HG       LEU  28   8.218   5.007  -2.887
  201   1HD1  LEU  28          1HD1      LEU  28   5.545   5.368  -4.301
  202   2HD1  LEU  28          2HD1      LEU  28   6.280   3.809  -3.998
  203   3HD1  LEU  28          3HD1      LEU  28   5.818   4.836  -2.628
  204   1HD2  LEU  28          2HD2      LEU  28   9.165   5.656  -5.109
  205   2HD2  LEU  28          3HD2      LEU  28   8.241   4.141  -5.196
  206   3HD2  LEU  28          1HD2      LEU  28   7.523   5.648  -5.796
  207    H    VAL  29           H        VAL  29   5.375   6.886  -0.074
  208    HA   VAL  29           HA       VAL  29   7.668   6.531   1.767
  209    HB   VAL  29           HB       VAL  29   5.945   6.352   3.490
  210   1HG1  VAL  29          2HG1      VAL  29   6.744   8.605   2.587
  211   2HG1  VAL  29          3HG1      VAL  29   5.217   8.686   1.698
  212   3HG1  VAL  29          1HG1      VAL  29   5.211   8.619   3.473
  213   1HG2  VAL  29          1HG2      VAL  29   4.098   5.243   2.212
  214   2HG2  VAL  29          2HG2      VAL  29   3.559   6.718   3.033
  215   3HG2  VAL  29          3HG2      VAL  29   3.848   6.744   1.297
  216    H    ASN  30           H        ASN  30   7.491   4.448   3.283
  217    HA   ASN  30           HA       ASN  30   6.965   2.103   1.501
  218   1HB   ASN  30          1HB       ASN  30   9.244   2.714   3.387
  219   2HB   ASN  30          2HB       ASN  30   8.850   1.050   2.998
  220   1HD2  ASN  30          2HD2      ASN  30   9.729   1.486  -0.507
  221   2HD2  ASN  30          1HD2      ASN  30   8.352   0.828   0.382
  222    H    THR  31           H        THR  31   6.724  -0.030   2.584
  223    HA   THR  31           HA       THR  31   6.064  -0.278   5.329
  224    HB   THR  31           HB       THR  31   4.045   0.933   4.602
  225    HG1  THR  31           HG1      THR  31   3.572  -0.306   6.212
  226   1HG2  THR  31          2HG2      THR  31   3.968   0.089   2.215
  227   2HG2  THR  31          3HG2      THR  31   3.378  -1.458   2.880
  228   3HG2  THR  31          1HG2      THR  31   2.436   0.028   3.081
  229    H    TRP  32           H        TRP  32   5.028  -2.577   5.603
  230    HA   TRP  32           HA       TRP  32   6.358  -4.538   3.786
  231   1HB   TRP  32          1HB       TRP  32   6.238  -4.562   6.822
  232   2HB   TRP  32          2HB       TRP  32   6.650  -5.963   5.849
  233    HD1  TRP  32           HD1      TRP  32   8.050  -2.632   6.964
  234    HE1  TRP  32           HE1      TRP  32  10.531  -2.491   6.450
  235    HE3  TRP  32           HE3      TRP  32   8.548  -6.995   4.348
  236    HZ2  TRP  32           HZ2      TRP  32  12.557  -4.161   5.145
  237    HZ3  TRP  32           HZ3      TRP  32  10.766  -7.726   3.518
  238    HH2  TRP  32           HH2      TRP  32  12.774  -6.318   3.884
  239    H    ASN  33           H        ASN  33   5.183  -6.435   3.310
  240    HA   ASN  33           HA       ASN  33   2.389  -6.276   3.252
  241   1HB   ASN  33          1HB       ASN  33   4.185  -8.728   3.161
  242   2HB   ASN  33          2HB       ASN  33   2.448  -8.781   2.879
  243   1HD2  ASN  33          2HD2      ASN  33   4.145  -8.484  -0.439
  244   2HD2  ASN  33          1HD2      ASN  33   4.186  -9.658   0.868
  245    H    SER  34           H        SER  34   4.419  -7.565   5.813
  246    HA   SER  34           HA       SER  34   2.564  -9.072   7.297
  247   1HB   SER  34          1HB       SER  34   5.139  -8.857   7.461
  248   2HB   SER  34          2HB       SER  34   4.841  -7.432   8.474
  249    HG   SER  34           HG       SER  34   5.088  -9.356   9.694
  250    H    TYR  35           H        TYR  35   2.572  -5.653   6.804
  251    HA   TYR  35           HA       TYR  35   1.036  -5.162   9.305
  252   1HB   TYR  35          1HB       TYR  35   2.466  -3.181   7.528
  253   2HB   TYR  35          2HB       TYR  35   1.770  -2.889   9.111
  254    HD1  TYR  35           HD1      TYR  35   3.025  -5.532  10.416
  255    HD2  TYR  35           HD2      TYR  35   4.565  -2.204   8.132
  256    HE1  TYR  35           HE1      TYR  35   5.244  -5.851  11.446
  257    HE2  TYR  35           HE2      TYR  35   6.777  -2.499   9.186
  258    HH   TYR  35           HH       TYR  35   8.043  -3.759  10.703
  259    H    LEU  36           H        LEU  36   0.505  -5.755   6.001
  260    HA   LEU  36           HA       LEU  36  -1.510  -3.570   5.735
  261   1HB   LEU  36          1HB       LEU  36  -0.601  -5.579   3.629
  262   2HB   LEU  36          2HB       LEU  36  -1.537  -4.108   3.392
  263    HG   LEU  36           HG       LEU  36   1.422  -4.413   3.931
  264   1HD1  LEU  36          3HD1      LEU  36   0.634  -4.423   1.608
  265   2HD1  LEU  36          1HD1      LEU  36  -0.182  -2.860   1.856
  266   3HD1  LEU  36          2HD1      LEU  36   1.587  -2.975   1.945
  267   1HD2  LEU  36          3HD2      LEU  36  -0.277  -2.010   4.534
  268   2HD2  LEU  36          1HD2      LEU  36   1.062  -2.690   5.467
  269   3HD2  LEU  36          2HD2      LEU  36   1.395  -1.817   3.989
  270    H    LYS  37           H        LYS  37  -3.617  -4.205   4.687
  271    HA   LYS  37           HA       LYS  37  -4.293  -7.028   5.025
  272   1HB   LYS  37          1HB       LYS  37  -6.348  -6.668   6.171
  273   2HB   LYS  37          2HB       LYS  37  -4.934  -6.197   7.098
  274   1HG   LYS  37          1HG       LYS  37  -6.310  -4.537   7.710
  275   2HG   LYS  37          2HG       LYS  37  -5.480  -3.773   6.397
  276   1HD   LYS  37          1HD       LYS  37  -7.891  -3.302   6.404
  277   2HD   LYS  37          2HD       LYS  37  -7.421  -4.132   4.919
  278   1HE   LYS  37          1HE       LYS  37  -8.745  -5.902   5.294
  279   2HE   LYS  37          2HE       LYS  37  -8.352  -5.988   7.013
  280   1HZ   LYS  37          1HZ       LYS  37 -10.216  -3.949   5.916
  281   2HZ   LYS  37          2HZ       LYS  37 -10.708  -5.395   6.498
  282   3HZ   LYS  37          3HZ       LYS  37  -9.981  -4.312   7.481
  283    H    VAL  38           H        VAL  38  -5.460  -7.813   3.382
  284    HA   VAL  38           HA       VAL  38  -6.241  -5.975   1.188
  285    HB   VAL  38           HB       VAL  38  -5.488  -8.915   1.271
  286   1HG1  VAL  38          3HG1      VAL  38  -6.299  -7.221  -1.108
  287   2HG1  VAL  38          1HG1      VAL  38  -5.496  -8.799  -1.232
  288   3HG1  VAL  38          2HG1      VAL  38  -7.096  -8.672  -0.494
  289   1HG2  VAL  38          2HG2      VAL  38  -3.500  -7.514   1.537
  290   2HG2  VAL  38          3HG2      VAL  38  -3.516  -8.423   0.031
  291   3HG2  VAL  38          1HG2      VAL  38  -3.885  -6.694   0.013
  292    H    LEU  39           H        LEU  39  -8.409  -6.155   0.446
  293    HA   LEU  39           HA       LEU  39 -10.205  -8.081   1.785
  294   1HB   LEU  39          1HB       LEU  39 -10.987  -5.271   0.919
  295   2HB   LEU  39          2HB       LEU  39 -12.005  -6.484   1.652
  296    HG   LEU  39           HG       LEU  39 -10.350  -6.301   3.702
  297   1HD1  LEU  39          1HD1      LEU  39 -10.032  -3.620   2.273
  298   2HD1  LEU  39          2HD1      LEU  39  -9.597  -3.897   3.948
  299   3HD1  LEU  39          3HD1      LEU  39  -8.724  -4.738   2.672
  300   1HD2  LEU  39          2HD2      LEU  39 -12.772  -5.809   3.699
  301   2HD2  LEU  39          3HD2      LEU  39 -11.905  -4.588   4.627
  302   3HD2  LEU  39          1HD2      LEU  39 -12.457  -4.208   2.998
  303    H    ASP  40           H        ASP  40 -12.364  -7.866   0.319
  304    HA   ASP  40           HA       ASP  40 -11.700  -8.791  -2.317
  305   1HB   ASP  40          1HB       ASP  40 -13.542  -9.762  -0.981
  306   2HB   ASP  40          2HB       ASP  40 -14.362  -8.193  -0.968
  307    H    GLY  41           H        GLY  41 -13.254  -7.719  -4.085
  308   1HA   GLY  41          1HA       GLY  41 -13.301  -6.028  -5.644
  309   2HA   GLY  41          2HA       GLY  41 -13.803  -4.990  -4.295
  310    H    ASN  42           H        ASN  42 -10.773  -6.602  -4.182
  311    HA   ASN  42           HA       ASN  42  -8.686  -5.991  -3.973
  312   1HB   ASN  42          1HB       ASN  42  -7.542  -5.023  -5.740
  313   2HB   ASN  42          2HB       ASN  42  -8.814  -6.041  -6.386
  314   1HD2  ASN  42          2HD2      ASN  42  -9.268  -1.916  -6.909
  315   2HD2  ASN  42          1HD2      ASN  42  -8.756  -2.574  -5.369
  316    H    ARG  43           H        ARG  43 -10.541  -4.448  -2.286
  317    HA   ARG  43           HA       ARG  43  -9.209  -1.818  -2.025
  318   1HB   ARG  43          1HB       ARG  43 -11.536  -2.083  -1.278
  319   2HB   ARG  43          2HB       ARG  43 -11.061  -3.356  -0.155
  320   1HG   ARG  43          1HG       ARG  43  -9.605  -1.690   1.065
  321   2HG   ARG  43          2HG       ARG  43 -10.191  -0.427  -0.015
  322   1HD   ARG  43          1HD       ARG  43 -11.988  -2.151   1.760
  323   2HD   ARG  43          2HD       ARG  43 -11.340  -0.586   2.245
  324    HE   ARG  43           HE       ARG  43 -12.599  -0.288  -0.262
  325   1HH1  ARG  43          2HH2      ARG  43 -13.448  -0.808   3.185
  326   2HH1  ARG  43          1HH2      ARG  43 -15.020  -0.150   3.046
  327   1HH2  ARG  43          2HH1      ARG  43 -14.697   0.642  -0.436
  328   2HH2  ARG  43          1HH1      ARG  43 -15.750   0.718   0.928
  329    H    ILE  44           H        ILE  44  -7.267  -1.519  -0.936
  330    HA   ILE  44           HA       ILE  44  -6.232  -3.804   0.705
  331    HB   ILE  44           HB       ILE  44  -4.465  -1.748  -0.706
  332   1HG1  ILE  44          1HG1      ILE  44  -5.624  -2.796  -2.579
  333   2HG1  ILE  44          2HG1      ILE  44  -3.967  -3.300  -2.510
  334   1HG2  ILE  44          2HG2      ILE  44  -4.121  -4.551   0.484
  335   2HG2  ILE  44          3HG2      ILE  44  -2.854  -3.778  -0.475
  336   3HG2  ILE  44          1HG2      ILE  44  -3.379  -3.058   1.051
  337   1HD1  ILE  44          2HD1      ILE  44  -6.341  -4.992  -1.624
  338   2HD1  ILE  44          3HD1      ILE  44  -5.493  -5.116  -3.170
  339   3HD1  ILE  44          1HD1      ILE  44  -4.642  -5.515  -1.673
  340    H    VAL  45           H        VAL  45  -4.826  -2.824   2.585
  341    HA   VAL  45           HA       VAL  45  -5.419   0.011   3.154
  342    HB   VAL  45           HB       VAL  45  -6.088  -2.211   5.077
  343   1HG1  VAL  45          3HG1      VAL  45  -5.557  -0.105   6.226
  344   2HG1  VAL  45          1HG1      VAL  45  -6.751   0.751   5.228
  345   3HG1  VAL  45          2HG1      VAL  45  -7.266  -0.488   6.394
  346   1HG2  VAL  45          2HG2      VAL  45  -7.775  -2.335   3.304
  347   2HG2  VAL  45          3HG2      VAL  45  -8.475  -1.729   4.786
  348   3HG2  VAL  45          1HG2      VAL  45  -8.091  -0.598   3.472
  349    H    VAL  46           H        VAL  46  -3.928   0.935   4.546
  350    HA   VAL  46           HA       VAL  46  -1.648  -0.714   5.427
  351    HB   VAL  46           HB       VAL  46  -1.551   1.976   4.001
  352   1HG1  VAL  46          3HG1      VAL  46   0.762   0.257   4.951
  353   2HG1  VAL  46          1HG1      VAL  46   0.875   1.737   3.973
  354   3HG1  VAL  46          2HG1      VAL  46   0.265   1.824   5.619
  355   1HG2  VAL  46          2HG2      VAL  46  -1.129  -0.823   2.969
  356   2HG2  VAL  46          3HG2      VAL  46  -1.985   0.542   2.251
  357   3HG2  VAL  46          1HG2      VAL  46  -0.212   0.519   2.285
  358    HA   PRO  47           HA       PRO  47  -2.472   1.747   9.147
  359   1HB   PRO  47          1HB       PRO  47  -0.472   0.873  10.743
  360   2HB   PRO  47          2HB       PRO  47  -1.828  -0.174  10.248
  361   1HG   PRO  47          1HG       PRO  47   0.916  -0.016   8.945
  362   2HG   PRO  47          2HG       PRO  47   0.072  -1.472   9.530
  363   1HD   PRO  47          1HD       PRO  47  -0.022  -0.687   6.939
  364   2HD   PRO  47          2HD       PRO  47  -1.478  -1.369   7.732
  365    H    VAL  48           H        VAL  48  -2.078   3.936   9.025
  366    HA   VAL  48           HA       VAL  48   0.682   4.798   8.473
  367    HB   VAL  48           HB       VAL  48  -1.354   5.962   7.372
  368   1HG1  VAL  48          1HG1      VAL  48  -2.741   6.362   9.370
  369   2HG1  VAL  48          2HG1      VAL  48  -1.519   7.474  10.009
  370   3HG1  VAL  48          3HG1      VAL  48  -2.348   7.875   8.525
  371   1HG2  VAL  48          3HG2      VAL  48   0.973   6.731   7.395
  372   2HG2  VAL  48          1HG2      VAL  48  -0.172   8.086   7.355
  373   3HG2  VAL  48          2HG2      VAL  48   0.663   7.680   8.867
  374    H    GLY  49           H        GLY  49   1.965   4.925  10.171
  375   1HA   GLY  49          1HA       GLY  49   0.884   5.711  12.828
  376   2HA   GLY  49          2HA       GLY  49   2.236   4.561  12.602
  377    H    GLY  50           H        GLY  50   3.349   6.359  10.282
  378   1HA   GLY  50          1HA       GLY  50   4.003   8.823  11.690
  379   2HA   GLY  50          2HA       GLY  50   5.295   7.617  11.574
  380    H    MET  51           H        MET  51   2.712   8.241   9.140
  381    HA   MET  51           HA       MET  51   4.773   9.333   7.298
  382   1HB   MET  51          1HB       MET  51   2.166   8.116   6.384
  383   2HB   MET  51          2HB       MET  51   3.551   8.619   5.467
  384   1HG   MET  51          1HG       MET  51   4.767   6.775   5.888
  385   2HG   MET  51          2HG       MET  51   3.973   6.436   7.420
  386   1HE   MET  51          3HE       MET  51   4.663   4.177   6.156
  387   2HE   MET  51          1HE       MET  51   3.661   3.405   4.904
  388   3HE   MET  51          2HE       MET  51   4.749   4.759   4.510
  389    H    HIS  52           H        HIS  52   4.443  11.382   8.393
  390    HA   HIS  52           HA       HIS  52   1.758  12.437   8.840
  391   1HB   HIS  52          1HB       HIS  52   4.545  13.662   9.008
  392   2HB   HIS  52          2HB       HIS  52   3.060  14.544   9.386
  393    HD1  HIS  52           HD1      HIS  52   5.502  12.297  11.050
  394    HD2  HIS  52           HD2      HIS  52   1.415  13.217  11.269
  395    HE1  HIS  52           HE1      HIS  52   4.714  11.544  13.382
  396    H    LYS  53           H        LYS  53   4.394  13.249   6.475
  397    HA   LYS  53           HA       LYS  53   2.835  15.210   5.093
  398   1HB   LYS  53          1HB       LYS  53   5.326  14.666   4.902
  399   2HB   LYS  53          2HB       LYS  53   4.801  13.381   3.765
  400   1HG   LYS  53          1HG       LYS  53   4.010  14.928   2.190
  401   2HG   LYS  53          2HG       LYS  53   4.008  16.266   3.355
  402   1HD   LYS  53          1HD       LYS  53   5.876  16.417   1.771
  403   2HD   LYS  53          2HD       LYS  53   6.452  16.289   3.435
  404   1HE   LYS  53          1HE       LYS  53   6.214  13.922   1.552
  405   2HE   LYS  53          2HE       LYS  53   7.638  14.930   1.575
  406   1HZ   LYS  53          1HZ       LYS  53   6.675  13.370   3.952
  407   2HZ   LYS  53          2HZ       LYS  53   7.817  12.907   2.952
  408   3HZ   LYS  53          3HZ       LYS  53   8.049  14.256   3.879
  409    H    THR  54           H        THR  54   2.982  11.602   4.694
  410    HA   THR  54           HA       THR  54   1.222  11.569   2.483
  411    HB   THR  54           HB       THR  54   1.894   9.580   4.623
  412    HG1  THR  54           HG1      THR  54   2.507   9.782   1.866
  413   1HG2  THR  54          1HG2      THR  54   0.197   9.017   2.175
  414   2HG2  THR  54          2HG2      THR  54   1.028   7.784   3.143
  415   3HG2  THR  54          3HG2      THR  54  -0.243   8.783   3.868
  416    H    GLU  55           H        GLU  55   0.441  11.642   6.033
  417    HA   GLU  55           HA       GLU  55  -2.366  11.316   5.766
  418   1HB   GLU  55          1HB       GLU  55  -1.006  11.215   7.845
  419   2HB   GLU  55          2HB       GLU  55  -0.893  12.970   7.806
  420   1HG   GLU  55          1HG       GLU  55  -3.320  13.187   8.040
  421   2HG   GLU  55          2HG       GLU  55  -3.493  11.424   8.006
  422    H    ALA  56           H        ALA  56  -0.367  14.280   5.709
  423    HA   ALA  56           HA       ALA  56  -2.551  16.042   5.066
  424   1HB   ALA  56          1HB       ALA  56  -0.395  16.830   5.990
  425   2HB   ALA  56          2HB       ALA  56   0.425  16.364   4.479
  426   3HB   ALA  56          3HB       ALA  56  -0.794  17.651   4.465
  427    H    ASN  57           H        ASN  57  -0.244  14.296   2.987
  428    HA   ASN  57           HA       ASN  57  -0.972  15.524   0.551
  429   1HB   ASN  57          1HB       ASN  57   0.424  12.937   1.238
  430   2HB   ASN  57          2HB       ASN  57   0.072  13.325  -0.416
  431   1HD2  ASN  57          2HD2      ASN  57   3.334  14.809  -0.431
  432   2HD2  ASN  57          1HD2      ASN  57   2.393  13.422  -0.956
  433    H    VAL  58           H        VAL  58  -2.218  12.483   2.093
  434    HA   VAL  58           HA       VAL  58  -4.072  11.972  -0.054
  435    HB   VAL  58           HB       VAL  58  -4.211  11.108   2.839
  436   1HG1  VAL  58          2HG1      VAL  58  -5.739  10.107   0.400
  437   2HG1  VAL  58          3HG1      VAL  58  -5.747   9.316   1.999
  438   3HG1  VAL  58          1HG1      VAL  58  -6.433  10.940   1.802
  439   1HG2  VAL  58          3HG2      VAL  58  -3.227   9.661   0.338
  440   2HG2  VAL  58          1HG2      VAL  58  -2.260  10.107   1.756
  441   3HG2  VAL  58          2HG2      VAL  58  -3.486   8.865   1.911
  442    H    ALA  59           H        ALA  59  -4.342  13.794   3.084
  443    HA   ALA  59           HA       ALA  59  -7.042  14.600   2.655
  444   1HB   ALA  59          3HB       ALA  59  -5.847  14.847   4.810
  445   2HB   ALA  59          1HB       ALA  59  -4.831  16.118   4.092
  446   3HB   ALA  59          2HB       ALA  59  -6.575  16.373   4.263
  447    H    ARG  60           H        ARG  60  -4.109  15.726   1.033
  448    HA   ARG  60           HA       ARG  60  -5.434  18.083  -0.127
  449   1HB   ARG  60          1HB       ARG  60  -2.765  16.683  -0.353
  450   2HB   ARG  60          2HB       ARG  60  -3.207  17.729  -1.628
  451   1HG   ARG  60          1HG       ARG  60  -3.266  18.619   1.319
  452   2HG   ARG  60          2HG       ARG  60  -1.744  18.547   0.415
  453   1HD   ARG  60          1HD       ARG  60  -4.180  20.224  -0.313
  454   2HD   ARG  60          2HD       ARG  60  -2.615  20.810   0.286
  455    HE   ARG  60           HE       ARG  60  -2.766  19.190  -2.193
  456   1HH1  ARG  60          2HH2      ARG  60  -1.966  22.402  -0.823
  457   2HH1  ARG  60          1HH2      ARG  60  -0.863  22.754  -2.125
  458   1HH2  ARG  60          2HH1      ARG  60  -1.318  19.763  -3.809
  459   2HH2  ARG  60          1HH1      ARG  60  -0.691  21.360  -3.960
  460    H    ASP  61           H        ASP  61  -4.276  14.930  -1.404
  461    HA   ASP  61           HA       ASP  61  -6.481  14.990  -3.368
  462   1HB   ASP  61          1HB       ASP  61  -4.584  16.136  -4.493
  463   2HB   ASP  61          2HB       ASP  61  -3.583  14.699  -4.244
  464    H    GLU  62           H        GLU  62  -7.115  13.013  -4.092
  465    HA   GLU  62           HA       GLU  62  -6.437  10.753  -2.352
  466   1HB   GLU  62          1HB       GLU  62  -8.211   9.566  -3.682
  467   2HB   GLU  62          2HB       GLU  62  -8.769  11.037  -2.886
  468   1HG   GLU  62          1HG       GLU  62  -8.821  12.278  -4.894
  469   2HG   GLU  62          2HG       GLU  62  -7.795  11.134  -5.750
  470    H    ARG  63           H        ARG  63  -5.351  11.801  -5.520
  471    HA   ARG  63           HA       ARG  63  -4.995   9.224  -6.713
  472   1HB   ARG  63          1HB       ARG  63  -3.616  11.885  -7.303
  473   2HB   ARG  63          2HB       ARG  63  -3.249  10.387  -8.158
  474   1HG   ARG  63          1HG       ARG  63  -4.718  11.440  -9.579
  475   2HG   ARG  63          2HG       ARG  63  -5.671  10.199  -8.761
  476   1HD   ARG  63          1HD       ARG  63  -6.089  12.327  -7.104
  477   2HD   ARG  63          2HD       ARG  63  -5.834  13.201  -8.613
  478    HE   ARG  63           HE       ARG  63  -7.504  10.968  -8.988
  479   1HH1  ARG  63          2HH2      ARG  63  -7.645  13.872  -6.949
  480   2HH1  ARG  63          1HH2      ARG  63  -9.363  13.905  -6.862
  481   1HH2  ARG  63          2HH1      ARG  63  -9.808  10.963  -8.773
  482   2HH2  ARG  63          1HH1      ARG  63 -10.470  11.926  -7.558
  483    H    VAL  64           H        VAL  64  -3.646   7.592  -6.200
  484    HA   VAL  64           HA       VAL  64  -0.951   8.371  -5.277
  485    HB   VAL  64           HB       VAL  64  -0.912   6.705  -3.573
  486   1HG1  VAL  64          1HG1      VAL  64  -1.818   9.083  -3.084
  487   2HG1  VAL  64          2HG1      VAL  64  -3.389   8.326  -2.958
  488   3HG1  VAL  64          3HG1      VAL  64  -2.080   7.819  -1.872
  489   1HG2  VAL  64          2HG2      VAL  64  -3.859   6.211  -4.159
  490   2HG2  VAL  64          3HG2      VAL  64  -2.527   5.056  -4.404
  491   3HG2  VAL  64          1HG2      VAL  64  -2.945   5.590  -2.775
  492    H    LEU  65           H        LEU  65   0.586   6.748  -5.506
  493    HA   LEU  65           HA       LEU  65   0.054   4.683  -7.621
  494   1HB   LEU  65          1HB       LEU  65   1.813   6.646  -7.998
  495   2HB   LEU  65          2HB       LEU  65   2.737   5.789  -6.762
  496    HG   LEU  65           HG       LEU  65   2.580   3.702  -8.258
  497   1HD1  LEU  65          2HD1      LEU  65   0.729   4.575  -9.715
  498   2HD1  LEU  65          3HD1      LEU  65   1.813   5.847 -10.308
  499   3HD1  LEU  65          1HD1      LEU  65   2.153   4.138 -10.654
  500   1HD2  LEU  65          3HD2      LEU  65   4.091   6.175  -9.216
  501   2HD2  LEU  65          1HD2      LEU  65   4.632   5.023  -7.977
  502   3HD2  LEU  65          2HD2      LEU  65   4.476   4.498  -9.654
  503    H    MET  66           H        MET  66   1.073   2.540  -6.996
  504    HA   MET  66           HA       MET  66   2.144   2.415  -4.260
  505   1HB   MET  66          1HB       MET  66  -0.281   1.974  -3.991
  506   2HB   MET  66          2HB       MET  66  -0.199   0.700  -5.191
  507   1HG   MET  66          1HG       MET  66   1.463  -0.480  -3.633
  508   2HG   MET  66          2HG       MET  66   1.052   0.735  -2.427
  509   1HE   MET  66          1HE       MET  66   0.154  -0.853  -0.524
  510   2HE   MET  66          2HE       MET  66  -1.084   0.406  -0.725
  511   3HE   MET  66          3HE       MET  66  -1.561  -1.288  -0.550
  512    H    THR  67           H        THR  67   3.869   0.914  -4.218
  513    HA   THR  67           HA       THR  67   4.195  -0.770  -6.657
  514    HB   THR  67           HB       THR  67   6.598  -0.229  -6.694
  515    HG1  THR  67           HG1      THR  67   6.505   0.559  -4.432
  516   1HG2  THR  67          1HG2      THR  67   5.077   1.111  -8.159
  517   2HG2  THR  67          2HG2      THR  67   4.959   2.344  -6.882
  518   3HG2  THR  67          3HG2      THR  67   6.519   2.015  -7.649
  519    H    LEU  68           H        LEU  68   4.759  -2.884  -6.087
  520    HA   LEU  68           HA       LEU  68   5.695  -3.264  -3.295
  521   1HB   LEU  68          1HB       LEU  68   4.489  -5.191  -2.914
  522   2HB   LEU  68          2HB       LEU  68   3.351  -3.945  -3.403
  523    HG   LEU  68           HG       LEU  68   3.060  -5.060  -5.584
  524   1HD1  LEU  68          1HD1      LEU  68   5.002  -7.113  -4.477
  525   2HD1  LEU  68          2HD1      LEU  68   3.852  -7.477  -5.783
  526   3HD1  LEU  68          3HD1      LEU  68   5.104  -6.268  -6.034
  527   1HD2  LEU  68          2HD2      LEU  68   1.653  -5.596  -3.643
  528   2HD2  LEU  68          3HD2      LEU  68   1.854  -7.015  -4.684
  529   3HD2  LEU  68          1HD2      LEU  68   2.775  -6.886  -3.175
  530    H    GLY  69           H        GLY  69   6.713  -5.473  -2.976
  531   1HA   GLY  69          1HA       GLY  69   7.693  -6.915  -5.175
  532   2HA   GLY  69          2HA       GLY  69   8.968  -5.802  -4.602
  533    H    SER  70           H        SER  70   9.724  -8.304  -4.287
  534    HA   SER  70           HA       SER  70   9.474  -8.764  -1.396
  535   1HB   SER  70          1HB       SER  70   7.560 -10.043  -2.282
  536   2HB   SER  70          2HB       SER  70   8.612 -10.828  -3.472
  537    HG   SER  70           HG       SER  70   8.381 -11.249  -0.692
  538    H    ARG  71           H        ARG  71  10.910 -10.493  -0.720
  539    HA   ARG  71           HA       ARG  71  13.410 -10.545  -2.345
  540   1HB   ARG  71          1HB       ARG  71  12.793 -11.048   0.608
  541   2HB   ARG  71          2HB       ARG  71  14.354 -11.441  -0.080
  542   1HG   ARG  71          1HG       ARG  71  13.294  -8.602  -0.343
  543   2HG   ARG  71          2HG       ARG  71  13.934  -9.180   1.187
  544   1HD   ARG  71          1HD       ARG  71  15.719  -8.105   0.168
  545   2HD   ARG  71          2HD       ARG  71  16.081  -9.819   0.040
  546    HE   ARG  71           HE       ARG  71  15.516  -7.873  -2.073
  547   1HH1  ARG  71          2HH2      ARG  71  15.821 -11.415  -1.507
  548   2HH1  ARG  71          1HH2      ARG  71  15.894 -11.744  -3.200
  549   1HH2  ARG  71          2HH1      ARG  71  15.865  -8.441  -4.314
  550   2HH2  ARG  71          1HH1      ARG  71  15.985 -10.131  -4.706
  551    H    LYS  72           H        LYS  72  10.683 -12.420  -1.330
  552    HA   LYS  72           HA       LYS  72  12.079 -15.002  -1.610
  553   1HB   LYS  72          1HB       LYS  72   9.342 -14.175  -0.568
  554   2HB   LYS  72          2HB       LYS  72   9.817 -15.865  -0.787
  555   1HG   LYS  72          1HG       LYS  72  11.622 -15.694   0.792
  556   2HG   LYS  72          2HG       LYS  72  11.463 -13.931   0.890
  557   1HD   LYS  72          1HD       LYS  72   9.257 -14.138   1.916
  558   2HD   LYS  72          2HD       LYS  72   9.309 -15.894   1.775
  559   1HE   LYS  72          1HE       LYS  72   9.817 -14.993   4.067
  560   2HE   LYS  72          2HE       LYS  72  11.042 -16.091   3.423
  561   1HZ   LYS  72          3HZ       LYS  72  11.408 -13.198   3.039
  562   2HZ   LYS  72          1HZ       LYS  72  11.595 -13.700   4.491
  563   3HZ   LYS  72          2HZ       LYS  72  12.557 -14.357   3.300
  564    H    VAL  73           H        VAL  73  10.612 -12.893  -3.930
  565    HA   VAL  73           HA       VAL  73   9.601 -15.282  -5.368
  566    HB   VAL  73           HB       VAL  73   8.372 -12.515  -5.346
  567   1HG1  VAL  73          1HG1      VAL  73   8.108 -13.738  -7.499
  568   2HG1  VAL  73          2HG1      VAL  73   7.424 -15.123  -6.621
  569   3HG1  VAL  73          3HG1      VAL  73   6.565 -13.570  -6.657
  570   1HG2  VAL  73          3HG2      VAL  73   7.395 -15.082  -4.023
  571   2HG2  VAL  73          1HG2      VAL  73   7.832 -13.566  -3.207
  572   3HG2  VAL  73          2HG2      VAL  73   6.407 -13.625  -4.241
  573    H    ALA  74           H        ALA  74  10.382 -15.411  -7.374
  574    HA   ALA  74           HA       ALA  74  12.690 -13.749  -8.015
  575   1HB   ALA  74          1HB       ALA  74  12.849 -16.217  -8.275
  576   2HB   ALA  74          2HB       ALA  74  11.494 -16.175  -9.434
  577   3HB   ALA  74          3HB       ALA  74  13.032 -15.394  -9.840
  578    H    GLY  75           H        GLY  75  12.784 -12.230  -9.624
  579   1HA   GLY  75          1HA       GLY  75  10.257 -11.726 -11.147
  580   2HA   GLY  75          2HA       GLY  75  11.457 -10.491 -10.705
  581    H    ARG  76           H        ARG  76  12.089  -9.921 -12.657
  582    HA   ARG  76           HA       ARG  76  13.117 -11.949 -14.622
  583   1HB   ARG  76          1HB       ARG  76  13.387  -8.933 -14.822
  584   2HB   ARG  76          2HB       ARG  76  13.490 -10.089 -16.118
  585   1HG   ARG  76          1HG       ARG  76  11.126 -10.390 -16.246
  586   2HG   ARG  76          2HG       ARG  76  10.848  -9.666 -14.658
  587   1HD   ARG  76          1HD       ARG  76  11.727  -8.206 -17.160
  588   2HD   ARG  76          2HD       ARG  76  10.184  -8.045 -16.288
  589    HE   ARG  76           HE       ARG  76  12.001  -7.470 -14.356
  590   1HH1  ARG  76          2HH2      ARG  76  10.986  -5.929 -17.289
  591   2HH1  ARG  76          1HH2      ARG  76  11.942  -4.493 -17.139
  592   1HH2  ARG  76          2HH1      ARG  76  13.434  -5.653 -14.085
  593   2HH2  ARG  76          1HH1      ARG  76  13.317  -4.296 -15.143
  594    H    ASN  77           H        ASN  77  14.117  -9.054 -12.816
  595    HA   ASN  77           HA       ASN  77  16.970  -9.711 -13.140
  596   1HB   ASN  77          1HB       ASN  77  17.219  -7.492 -11.878
  597   2HB   ASN  77          2HB       ASN  77  16.596  -7.467 -13.519
  598   1HD2  ASN  77          2HD2      ASN  77  13.710  -6.787 -10.628
  599   2HD2  ASN  77          1HD2      ASN  77  14.985  -7.918 -10.248
  600    H    GLY  78           H        GLY  78  17.367 -11.460 -11.978
  601   1HA   GLY  78          1HA       GLY  78  18.102 -12.637 -10.174
  602   2HA   GLY  78          2HA       GLY  78  18.076 -11.135  -9.233
  603    HA   PRO  79           HA       PRO  79  14.625 -13.777  -7.691
  604   1HB   PRO  79          1HB       PRO  79  15.596 -14.640  -5.274
  605   2HB   PRO  79          2HB       PRO  79  15.982 -15.472  -6.810
  606   1HG   PRO  79          1HG       PRO  79  17.673 -13.427  -5.333
  607   2HG   PRO  79          2HG       PRO  79  18.184 -15.000  -6.018
  608   1HD   PRO  79          1HD       PRO  79  18.499 -12.600  -7.343
  609   2HD   PRO  79          2HD       PRO  79  18.217 -14.146  -8.200
  610    H    GLY  80           H        GLY  80  13.884 -11.527  -7.815
  611   1HA   GLY  80          1HA       GLY  80  12.790 -10.713  -5.350
  612   2HA   GLY  80          2HA       GLY  80  14.108  -9.597  -5.785
  613    H    THR  81           H        THR  81  10.826 -10.488  -6.450
  614    HA   THR  81           HA       THR  81  10.934  -8.902  -8.987
  615    HB   THR  81           HB       THR  81   9.842 -11.169  -8.880
  616    HG1  THR  81           HG1      THR  81   9.401  -9.250 -10.400
  617   1HG2  THR  81          3HG2      THR  81   8.577 -10.842  -6.767
  618   2HG2  THR  81          1HG2      THR  81   7.512  -9.706  -7.618
  619   3HG2  THR  81          2HG2      THR  81   7.586 -11.403  -8.132
  620    H    GLY  82           H        GLY  82   9.025  -7.410  -9.404
  621   1HA   GLY  82          1HA       GLY  82   7.739  -6.250  -7.078
  622   2HA   GLY  82          2HA       GLY  82   8.865  -5.161  -7.899
  623    H    PHE  83           H        PHE  83   6.248  -4.510  -7.686
  624    HA   PHE  83           HA       PHE  83   5.021  -4.863 -10.368
  625   1HB   PHE  83          1HB       PHE  83   3.737  -5.176  -7.625
  626   2HB   PHE  83          2HB       PHE  83   2.809  -4.849  -9.052
  627    HD1  PHE  83           HD2      PHE  83   5.417  -7.438  -7.989
  628    HD2  PHE  83           HD1      PHE  83   1.652  -6.615  -9.938
  629    HE1  PHE  83           HE2      PHE  83   5.126  -9.836  -8.435
  630    HE2  PHE  83           HE1      PHE  83   1.374  -9.042 -10.366
  631    HZ   PHE  83           HZ       PHE  83   3.126 -10.642  -9.644
  632    H    LEU  84           H        LEU  84   3.823  -3.140 -10.996
  633    HA   LEU  84           HA       LEU  84   4.089  -0.482  -9.659
  634   1HB   LEU  84          1HB       LEU  84   5.153  -0.620 -11.756
  635   2HB   LEU  84          2HB       LEU  84   3.663  -1.200 -12.520
  636    HG   LEU  84           HG       LEU  84   2.510   0.906 -12.018
  637   1HD1  LEU  84          2HD1      LEU  84   5.098   1.670 -10.573
  638   2HD1  LEU  84          3HD1      LEU  84   3.917   2.853 -11.148
  639   3HD1  LEU  84          1HD1      LEU  84   3.442   1.691  -9.912
  640   1HD2  LEU  84          1HD2      LEU  84   3.936   0.634 -13.997
  641   2HD2  LEU  84          2HD2      LEU  84   3.898   2.328 -13.427
  642   3HD2  LEU  84          3HD2      LEU  84   5.321   1.298 -13.085
  643    H    ILE  85           H        ILE  85   2.062   0.372  -8.862
  644    HA   ILE  85           HA       ILE  85  -0.415  -0.802  -9.950
  645    HB   ILE  85           HB       ILE  85   0.093  -0.419  -6.967
  646   1HG1  ILE  85          1HG1      ILE  85   0.498  -3.014  -8.507
  647   2HG1  ILE  85          2HG1      ILE  85   1.711  -2.115  -7.618
  648   1HG2  ILE  85          2HG2      ILE  85  -2.014  -1.888  -8.587
  649   2HG2  ILE  85          3HG2      ILE  85  -1.928  -1.955  -6.830
  650   3HG2  ILE  85          1HG2      ILE  85  -2.235  -0.430  -7.639
  651   1HD1  ILE  85          3HD1      ILE  85   0.467  -2.516  -5.495
  652   2HD1  ILE  85          1HD1      ILE  85  -0.592  -3.633  -6.398
  653   3HD1  ILE  85          2HD1      ILE  85   1.137  -3.960  -6.280
  654    H    ARG  86           H        ARG  86  -2.249   0.648  -9.643
  655    HA   ARG  86           HA       ARG  86  -1.574   3.435  -8.783
  656   1HB   ARG  86          1HB       ARG  86  -3.339   2.893 -11.194
  657   2HB   ARG  86          2HB       ARG  86  -2.605   4.394 -10.664
  658   1HG   ARG  86          1HG       ARG  86  -1.183   4.007 -12.370
  659   2HG   ARG  86          2HG       ARG  86  -0.319   3.001 -11.212
  660   1HD   ARG  86          1HD       ARG  86  -1.715   1.026 -12.022
  661   2HD   ARG  86          2HD       ARG  86  -2.395   2.070 -13.265
  662    HE   ARG  86           HE       ARG  86  -0.075   0.546 -13.455
  663   1HH1  ARG  86          2HH2      ARG  86  -0.935   3.891 -14.235
  664   2HH1  ARG  86          1HH2      ARG  86   0.144   3.979 -15.590
  665   1HH2  ARG  86          2HH1      ARG  86   1.281   0.632 -15.194
  666   2HH2  ARG  86          1HH1      ARG  86   1.496   2.044 -16.134
  667    H    GLY  87           H        GLY  87  -3.420   4.580  -7.775
  668   1HA   GLY  87          1HA       GLY  87  -6.063   3.523  -7.878
  669   2HA   GLY  87          2HA       GLY  87  -5.225   2.980  -6.413
  670    H    SER  88           H        SER  88  -7.091   4.264  -5.518
  671    HA   SER  88           HA       SER  88  -6.225   7.068  -5.043
  672   1HB   SER  88          1HB       SER  88  -9.022   5.876  -4.963
  673   2HB   SER  88          2HB       SER  88  -8.589   7.522  -4.482
  674    HG   SER  88           HG       SER  88  -8.948   7.984  -6.435
  675    H    ALA  89           H        ALA  89  -5.900   7.611  -2.913
  676    HA   ALA  89           HA       ALA  89  -6.054   5.472  -0.826
  677   1HB   ALA  89          1HB       ALA  89  -4.706   8.208  -0.930
  678   2HB   ALA  89          2HB       ALA  89  -4.741   7.160   0.496
  679   3HB   ALA  89          3HB       ALA  89  -3.906   6.618  -0.968
  680    H    ALA  90           H        ALA  90  -7.165   6.021   1.146
  681    HA   ALA  90           HA       ALA  90  -8.465   8.643   1.497
  682   1HB   ALA  90          1HB       ALA  90 -10.075   6.045   1.319
  683   2HB   ALA  90          2HB       ALA  90 -10.702   7.613   1.880
  684   3HB   ALA  90          3HB       ALA  90 -10.173   7.424   0.197
  685    H    PHE  91           H        PHE  91  -8.064   9.132   3.666
  686    HA   PHE  91           HA       PHE  91  -7.302   6.967   5.465
  687   1HB   PHE  91          1HB       PHE  91  -7.455   9.971   5.753
  688   2HB   PHE  91          2HB       PHE  91  -7.347   8.943   7.182
  689    HD1  PHE  91           HD1      PHE  91  -5.635   7.024   7.128
  690    HD2  PHE  91           HD2      PHE  91  -5.340  10.529   4.644
  691    HE1  PHE  91           HE1      PHE  91  -3.281   6.558   6.789
  692    HE2  PHE  91           HE2      PHE  91  -2.932   9.994   4.233
  693    HZ   PHE  91           HZ       PHE  91  -1.872   8.076   5.362
  694    H    ARG  92           H        ARG  92  -8.388   6.032   7.067
  695    HA   ARG  92           HA       ARG  92 -11.009   7.110   7.883
  696   1HB   ARG  92          1HB       ARG  92 -10.497   4.201   7.121
  697   2HB   ARG  92          2HB       ARG  92 -11.909   4.773   7.995
  698   1HG   ARG  92          1HG       ARG  92 -11.143   5.551   5.169
  699   2HG   ARG  92          2HG       ARG  92 -12.421   4.432   5.624
  700   1HD   ARG  92          1HD       ARG  92 -12.420   7.367   6.480
  701   2HD   ARG  92          2HD       ARG  92 -13.072   6.812   4.974
  702    HE   ARG  92           HE       ARG  92 -14.260   5.303   7.121
  703   1HH1  ARG  92          2HH2      ARG  92 -14.240   8.562   5.749
  704   2HH1  ARG  92          1HH2      ARG  92 -15.873   8.924   6.184
  705   1HH2  ARG  92          2HH1      ARG  92 -16.388   5.755   7.750
  706   2HH2  ARG  92          1HH1      ARG  92 -17.160   7.250   7.372
  707    H    THR  93           H        THR  93 -11.398   6.889  10.020
  708    HA   THR  93           HA       THR  93  -9.656   5.246  11.762
  709    HB   THR  93           HB       THR  93 -10.215   7.044  13.463
  710    HG1  THR  93           HG1      THR  93 -11.902   8.047  12.555
  711   1HG2  THR  93          2HG2      THR  93  -8.008   7.034  12.337
  712   2HG2  THR  93          3HG2      THR  93  -8.665   8.033  11.018
  713   3HG2  THR  93          1HG2      THR  93  -8.564   8.681  12.663
  714    H    ASP  94           H        ASP  94 -11.662   4.173  10.259
  715    HA   ASP  94           HA       ASP  94 -13.907   3.484  11.935
  716   1HB   ASP  94          1HB       ASP  94 -14.709   5.591  11.019
  717   2HB   ASP  94          2HB       ASP  94 -14.033   5.236   9.431
  718    H    GLY  95           H        GLY  95 -15.164   1.862  10.834
  719   1HA   GLY  95          1HA       GLY  95 -15.681   0.211   9.383
  720   2HA   GLY  95          2HA       GLY  95 -14.373   0.740   8.316
  721    HA   PRO  96           HA       PRO  96 -13.206  -3.395  10.248
  722   1HB   PRO  96          1HB       PRO  96 -13.093  -4.875   7.944
  723   2HB   PRO  96          2HB       PRO  96 -14.602  -4.649   8.881
  724   1HG   PRO  96          1HG       PRO  96 -13.673  -3.089   6.446
  725   2HG   PRO  96          2HG       PRO  96 -15.273  -3.850   6.724
  726   1HD   PRO  96          1HD       PRO  96 -14.838  -1.210   7.205
  727   2HD   PRO  96          2HD       PRO  96 -15.901  -2.175   8.276
  728    H    GLU  97           H        GLU  97 -12.181  -1.019   8.137
  729    HA   GLU  97           HA       GLU  97  -9.536  -1.839   7.310
  730   1HB   GLU  97          1HB       GLU  97 -11.146   0.724   7.523
  731   2HB   GLU  97          2HB       GLU  97  -9.450   0.748   7.085
  732   1HG   GLU  97          1HG       GLU  97 -11.337   0.775   5.273
  733   2HG   GLU  97          2HG       GLU  97  -9.807   0.003   4.988
  734    H    PHE  98           H        PHE  98 -10.795   0.534   9.728
  735    HA   PHE  98           HA       PHE  98  -8.301   0.808  11.050
  736   1HB   PHE  98          1HB       PHE  98 -10.236   2.420  11.012
  737   2HB   PHE  98          2HB       PHE  98 -11.051   1.373  12.175
  738    HD1  PHE  98           HD1      PHE  98  -7.971   3.420  11.572
  739    HD2  PHE  98           HD2      PHE  98 -10.452   1.473  14.524
  740    HE1  PHE  98           HE1      PHE  98  -6.714   4.567  13.396
  741    HE2  PHE  98           HE2      PHE  98  -9.203   2.612  16.319
  742    HZ   PHE  98           HZ       PHE  98  -7.335   4.170  15.766
  743    H    GLU  99           H        GLU  99 -11.102  -1.359  11.687
  744    HA   GLU  99           HA       GLU  99 -10.021  -2.428  14.066
  745   1HB   GLU  99          1HB       GLU  99 -11.901  -3.731  12.048
  746   2HB   GLU  99          2HB       GLU  99 -11.580  -4.335  13.674
  747   1HG   GLU  99          1HG       GLU  99 -12.916  -1.699  12.942
  748   2HG   GLU  99          2HG       GLU  99 -13.665  -3.100  13.696
  749    H    ALA 100           H        ALA 100  -9.700  -3.662  10.691
  750    HA   ALA 100           HA       ALA 100  -8.109  -5.918  11.473
  751   1HB   ALA 100          3HB       ALA 100  -8.239  -4.435   8.849
  752   2HB   ALA 100          1HB       ALA 100  -7.477  -6.038   9.098
  753   3HB   ALA 100          2HB       ALA 100  -9.227  -5.844   9.327
  754    H    ILE 101           H        ILE 101  -7.227  -2.499  10.943
  755    HA   ILE 101           HA       ILE 101  -4.393  -3.273  11.359
  756    HB   ILE 101           HB       ILE 101  -3.672  -1.152  10.866
  757   1HG1  ILE 101          1HG1      ILE 101  -5.337   0.574   9.960
  758   2HG1  ILE 101          2HG1      ILE 101  -6.500  -0.256  11.021
  759   1HG2  ILE 101          2HG2      ILE 101  -4.264  -2.709   9.016
  760   2HG2  ILE 101          3HG2      ILE 101  -5.822  -1.866   8.848
  761   3HG2  ILE 101          1HG2      ILE 101  -4.303  -1.003   8.546
  762   1HD1  ILE 101          3HD1      ILE 101  -3.877   1.002  11.886
  763   2HD1  ILE 101          1HD1      ILE 101  -5.463   1.790  12.008
  764   3HD1  ILE 101          2HD1      ILE 101  -5.130   0.348  12.973
  765    H    ALA 102           H        ALA 102  -7.038  -2.283  13.395
  766    HA   ALA 102           HA       ALA 102  -5.801  -1.192  15.569
  767   1HB   ALA 102          3HB       ALA 102  -8.247  -1.610  15.395
  768   2HB   ALA 102          1HB       ALA 102  -7.948  -3.334  15.748
  769   3HB   ALA 102          2HB       ALA 102  -7.551  -2.100  16.943
  770    H    ARG 103           H        ARG 103  -5.407  -4.447  14.416
  771    HA   ARG 103           HA       ARG 103  -4.286  -5.729  16.658
  772   1HB   ARG 103          1HB       ARG 103  -3.283  -7.265  15.149
  773   2HB   ARG 103          2HB       ARG 103  -4.804  -6.765  14.419
  774   1HG   ARG 103          1HG       ARG 103  -3.456  -5.171  12.928
  775   2HG   ARG 103          2HG       ARG 103  -1.989  -5.894  13.618
  776   1HD   ARG 103          1HD       ARG 103  -2.957  -8.168  12.915
  777   2HD   ARG 103          2HD       ARG 103  -4.148  -7.283  11.975
  778    HE   ARG 103           HE       ARG 103  -1.232  -7.543  11.512
  779   1HH1  ARG 103          2HH2      ARG 103  -4.219  -6.024  10.325
  780   2HH1  ARG 103          1HH2      ARG 103  -3.682  -6.006   8.670
  781   1HH2  ARG 103          2HH1      ARG 103  -0.519  -7.464   9.264
  782   2HH2  ARG 103          1HH1      ARG 103  -1.633  -6.930   8.058
  783    H    PHE 104           H        PHE 104  -2.916  -3.002  14.975
  784    HA   PHE 104           HA       PHE 104  -0.190  -3.477  15.995
  785   1HB   PHE 104          1HB       PHE 104  -1.364  -1.032  14.606
  786   2HB   PHE 104          2HB       PHE 104   0.347  -1.388  14.839
  787    HD1  PHE 104           HD1      PHE 104   0.789  -4.093  14.031
  788    HD2  PHE 104           HD2      PHE 104  -1.924  -1.212  12.332
  789    HE1  PHE 104           HE1      PHE 104   0.676  -5.438  11.962
  790    HE2  PHE 104           HE2      PHE 104  -2.063  -2.610  10.255
  791    HZ   PHE 104           HZ       PHE 104  -0.841  -4.701  10.107
  792    H    LYS 105           H        LYS 105   0.762  -1.298  17.174
  793    HA   LYS 105           HA       LYS 105  -1.314  -0.134  18.903
  794   1HB   LYS 105          1HB       LYS 105  -0.274  -2.107  20.028
  795   2HB   LYS 105          2HB       LYS 105   1.306  -1.297  19.957
  796   1HG   LYS 105          1HG       LYS 105   0.589   0.438  21.402
  797   2HG   LYS 105          2HG       LYS 105  -1.122   0.065  21.116
  798   1HD   LYS 105          1HD       LYS 105  -0.703  -2.136  22.360
  799   2HD   LYS 105          2HD       LYS 105   0.865  -1.465  22.839
  800   1HE   LYS 105          1HE       LYS 105  -1.921  -0.350  23.415
  801   2HE   LYS 105          2HE       LYS 105  -0.816  -1.066  24.594
  802   1HZ   LYS 105          1HZ       LYS 105  -0.345   1.448  23.105
  803   2HZ   LYS 105          2HZ       LYS 105  -0.815   1.352  24.676
  804   3HZ   LYS 105          3HZ       LYS 105   0.674   0.810  24.227
  805    H    TRP 106           H        TRP 106   0.280   0.659  16.475
  806    HA   TRP 106           HA       TRP 106   1.499   3.159  17.507
  807   1HB   TRP 106          1HB       TRP 106   3.246   2.799  15.707
  808   2HB   TRP 106          2HB       TRP 106   3.349   1.793  17.127
  809    HD1  TRP 106           HD1      TRP 106   3.522  -0.716  16.802
  810    HE1  TRP 106           HE1      TRP 106   3.632  -2.295  14.779
  811    HE3  TRP 106           HE3      TRP 106   1.949   2.501  13.145
  812    HZ2  TRP 106           HZ2      TRP 106   3.248  -2.140  11.910
  813    HZ3  TRP 106           HZ3      TRP 106   1.901   1.788  10.784
  814    HH2  TRP 106           HH2      TRP 106   2.659  -0.491  10.149
  815    H    ALA 107           H        ALA 107  -1.175   2.242  16.064
  816    HA   ALA 107           HA       ALA 107  -0.885   3.456  13.419
  817   1HB   ALA 107          1HB       ALA 107  -2.326   1.470  13.745
  818   2HB   ALA 107          2HB       ALA 107  -3.315   2.371  14.923
  819   3HB   ALA 107          3HB       ALA 107  -3.281   2.879  13.226
  820    H    ARG 108           H        ARG 108  -1.835   5.267  12.762
  821    HA   ARG 108           HA       ARG 108  -3.093   7.206  14.623
  822   1HB   ARG 108          1HB       ARG 108  -0.870   7.890  13.940
  823   2HB   ARG 108          2HB       ARG 108  -1.151   7.419  12.287
  824   1HG   ARG 108          1HG       ARG 108  -1.015   9.663  12.267
  825   2HG   ARG 108          2HG       ARG 108  -2.698   9.294  11.967
  826   1HD   ARG 108          1HD       ARG 108  -3.366  10.155  14.092
  827   2HD   ARG 108          2HD       ARG 108  -1.693  10.203  14.689
  828    HE   ARG 108           HE       ARG 108  -2.854  11.910  12.513
  829   1HH1  ARG 108          2HH2      ARG 108   0.018  11.154  14.373
  830   2HH1  ARG 108          1HH2      ARG 108   0.968  12.391  13.640
  831   1HH2  ARG 108          2HH1      ARG 108  -1.791  13.584  11.758
  832   2HH2  ARG 108          1HH1      ARG 108  -0.246  14.123  12.367
  833    H    ALA 109           H        ALA 109  -3.352   5.479  11.612
  834    HA   ALA 109           HA       ALA 109  -6.162   5.788  11.428
  835   1HB   ALA 109          2HB       ALA 109  -5.673   8.091  10.603
  836   2HB   ALA 109          3HB       ALA 109  -4.624   7.427   9.350
  837   3HB   ALA 109          1HB       ALA 109  -6.354   7.073   9.333
  838    H    ALA 110           H        ALA 110  -7.013   4.745   9.406
  839    HA   ALA 110           HA       ALA 110  -5.200   2.642   8.360
  840   1HB   ALA 110          2HB       ALA 110  -7.319   1.882   9.430
  841   2HB   ALA 110          3HB       ALA 110  -8.249   2.890   8.302
  842   3HB   ALA 110          1HB       ALA 110  -7.279   1.538   7.694
  843    H    LEU 111           H        LEU 111  -4.272   3.281   6.516
  844    HA   LEU 111           HA       LEU 111  -5.383   5.363   4.744
  845   1HB   LEU 111          1HB       LEU 111  -2.874   4.918   5.439
  846   2HB   LEU 111          2HB       LEU 111  -2.937   3.588   4.327
  847    HG   LEU 111           HG       LEU 111  -3.513   6.484   3.562
  848   1HD1  LEU 111          2HD1      LEU 111  -1.152   6.123   4.329
  849   2HD1  LEU 111          3HD1      LEU 111  -0.982   4.812   3.151
  850   3HD1  LEU 111          1HD1      LEU 111  -1.246   6.481   2.600
  851   1HD2  LEU 111          1HD2      LEU 111  -3.006   4.008   1.887
  852   2HD2  LEU 111          2HD2      LEU 111  -4.522   4.953   1.961
  853   3HD2  LEU 111          3HD2      LEU 111  -3.066   5.665   1.254
  854    H    VAL 112           H        VAL 112  -7.266   4.475   3.881
  855    HA   VAL 112           HA       VAL 112  -7.408   1.677   3.046
  856    HB   VAL 112           HB       VAL 112  -9.440   3.915   2.591
  857   1HG1  VAL 112          3HG1      VAL 112  -9.718   0.896   2.756
  858   2HG1  VAL 112          1HG1      VAL 112 -11.049   2.054   2.536
  859   3HG1  VAL 112          2HG1      VAL 112  -9.816   1.881   1.281
  860   1HG2  VAL 112          3HG2      VAL 112  -9.033   2.172   5.052
  861   2HG2  VAL 112          1HG2      VAL 112  -9.113   3.936   4.969
  862   3HG2  VAL 112          2HG2      VAL 112 -10.570   2.990   4.675
  863    H    ILE 113           H        ILE 113  -7.065   1.026   0.925
  864    HA   ILE 113           HA       ILE 113  -6.471   3.154  -1.055
  865    HB   ILE 113           HB       ILE 113  -5.023   0.639  -0.201
  866   1HG1  ILE 113          1HG1      ILE 113  -4.504   3.001   0.580
  867   2HG1  ILE 113          2HG1      ILE 113  -3.169   2.019   0.040
  868   1HG2  ILE 113          2HG2      ILE 113  -4.793   1.780  -3.000
  869   2HG2  ILE 113          3HG2      ILE 113  -3.594   0.706  -2.235
  870   3HG2  ILE 113          1HG2      ILE 113  -5.245   0.138  -2.495
  871   1HD1  ILE 113          2HD1      ILE 113  -4.498   4.095  -1.721
  872   2HD1  ILE 113          3HD1      ILE 113  -3.031   4.359  -0.753
  873   3HD1  ILE 113          1HD1      ILE 113  -3.010   3.183  -2.066
  874    H    THR 114           H        THR 114  -7.629   3.015  -2.854
  875    HA   THR 114           HA       THR 114  -9.109   0.501  -3.488
  876    HB   THR 114           HB       THR 114  -9.794   3.356  -4.294
  877    HG1  THR 114           HG1      THR 114 -10.168   3.210  -2.173
  878   1HG2  THR 114          2HG2      THR 114 -11.368   0.737  -4.469
  879   2HG2  THR 114          3HG2      THR 114 -11.966   2.351  -4.915
  880   3HG2  THR 114          1HG2      THR 114 -10.651   1.613  -5.842
  881    H    VAL 115           H        VAL 115  -7.386  -0.473  -4.569
  882    HA   VAL 115           HA       VAL 115  -5.754   0.865  -6.545
  883    HB   VAL 115           HB       VAL 115  -6.398  -2.078  -6.074
  884   1HG1  VAL 115          3HG1      VAL 115  -4.392  -0.784  -7.953
  885   2HG1  VAL 115          1HG1      VAL 115  -4.255  -2.464  -7.413
  886   3HG1  VAL 115          2HG1      VAL 115  -5.651  -1.963  -8.350
  887   1HG2  VAL 115          3HG2      VAL 115  -4.006  -0.373  -5.276
  888   2HG2  VAL 115          1HG2      VAL 115  -5.203  -1.144  -4.209
  889   3HG2  VAL 115          2HG2      VAL 115  -4.090  -2.143  -5.123
  890    H    VAL 116           H        VAL 116  -5.873   0.513  -8.828
  891    HA   VAL 116           HA       VAL 116  -8.597  -0.013  -9.926
  892    HB   VAL 116           HB       VAL 116  -6.455   1.960 -10.829
  893   1HG1  VAL 116          2HG1      VAL 116  -9.120   1.256 -12.141
  894   2HG1  VAL 116          3HG1      VAL 116  -8.046   2.585 -12.626
  895   3HG1  VAL 116          1HG1      VAL 116  -7.506   0.910 -12.801
  896   1HG2  VAL 116          3HG2      VAL 116  -7.871   2.770  -8.934
  897   2HG2  VAL 116          1HG2      VAL 116  -8.196   3.666 -10.420
  898   3HG2  VAL 116          2HG2      VAL 116  -9.324   2.407  -9.872
  899    H    SER 117           H        SER 117  -5.000   0.005 -10.652
  900    HA   SER 117           HA       SER 117  -5.275  -2.789 -11.473
  901   1HB   SER 117          1HB       SER 117  -4.058  -0.694 -13.327
  902   2HB   SER 117          2HB       SER 117  -4.184  -2.432 -13.636
  903    HG   SER 117           HG       SER 117  -5.825  -1.276 -14.696
  904    H    ALA 118           H        ALA 118  -3.489  -3.947 -11.117
  905    HA   ALA 118           HA       ALA 118  -0.878  -2.773 -10.399
  906   1HB   ALA 118          2HB       ALA 118  -2.156  -5.430  -9.574
  907   2HB   ALA 118          3HB       ALA 118  -0.540  -4.900  -9.133
  908   3HB   ALA 118          1HB       ALA 118  -1.957  -4.054  -8.481
  909    H    GLU 119           H        GLU 119   0.875  -3.640 -11.553
  910    HA   GLU 119           HA       GLU 119   0.425  -5.909 -13.395
  911   1HB   GLU 119          1HB       GLU 119   1.475  -4.698 -15.184
  912   2HB   GLU 119          2HB       GLU 119   0.101  -3.770 -14.600
  913   1HG   GLU 119          1HG       GLU 119   2.304  -2.828 -13.089
  914   2HG   GLU 119          2HG       GLU 119   2.951  -3.086 -14.693
  915    H    GLN 120           H        GLN 120   2.431  -7.122 -13.777
  916    HA   GLN 120           HA       GLN 120   4.384  -6.836 -11.581
  917   1HB   GLN 120          1HB       GLN 120   3.436  -9.070 -12.283
  918   2HB   GLN 120          2HB       GLN 120   4.309  -8.919 -13.811
  919   1HG   GLN 120          1HG       GLN 120   6.440  -8.997 -12.713
  920   2HG   GLN 120          2HG       GLN 120   5.736  -8.655 -11.133
  921   1HE2  GLN 120          2HE2      GLN 120   6.514 -12.224 -10.962
  922   2HE2  GLN 120          1HE2      GLN 120   7.320 -10.669 -10.823
  923    H    THR 121           H        THR 121   6.485  -6.052 -11.960
  924    HA   THR 121           HA       THR 121   7.006  -5.078 -14.717
  925    HB   THR 121           HB       THR 121   7.896  -3.012 -13.661
  926    HG1  THR 121           HG1      THR 121   8.091  -3.634 -11.527
  927   1HG2  THR 121          1HG2      THR 121   5.609  -3.219 -14.727
  928   2HG2  THR 121          2HG2      THR 121   4.940  -3.443 -13.097
  929   3HG2  THR 121          3HG2      THR 121   5.779  -1.935 -13.530
  930    H    LEU 122           H        LEU 122   8.735  -5.821 -11.607
  931    HA   LEU 122           HA       LEU 122  11.168  -5.917 -13.280
  932   1HB   LEU 122          1HB       LEU 122  12.556  -5.162 -11.542
  933   2HB   LEU 122          2HB       LEU 122  11.284  -4.014 -11.884
  934    HG   LEU 122           HG       LEU 122  10.083  -5.278  -9.850
  935   1HD1  LEU 122          3HD1      LEU 122  11.990  -6.880  -9.476
  936   2HD1  LEU 122          1HD1      LEU 122  13.053  -5.494  -9.140
  937   3HD1  LEU 122          2HD1      LEU 122  11.687  -5.857  -8.074
  938   1HD2  LEU 122          1HD2      LEU 122  12.218  -3.144  -9.525
  939   2HD2  LEU 122          2HD2      LEU 122  10.511  -2.883  -9.947
  940   3HD2  LEU 122          3HD2      LEU 122  10.934  -3.516  -8.353
  941    HN3  FMN 123           HN3      FMN 123   2.463   2.646   8.461
  942    H6   FMN 123           H6       FMN 123   8.113  -0.633   6.084
  943   1HM7  FMN 123          1HM7      FMN 123  11.366  -0.751   5.491
  944   2HM7  FMN 123          2HM7      FMN 123   9.885  -1.120   4.560
  945   3HM7  FMN 123          3HM7      FMN 123  10.973   0.148   4.015
  946   1HM8  FMN 123          1HM8      FMN 123  12.414   1.656   5.660
  947   2HM8  FMN 123          2HM8      FMN 123  11.609   2.476   4.298
  948   3HM8  FMN 123          3HM8      FMN 123  11.962   3.361   5.787
  949    H9   FMN 123           H9       FMN 123   9.937   3.933   6.773
  950   1H1*  FMN 123          1H1*      FMN 123   7.807   4.859   9.486
  951   2H1*  FMN 123          2H1*      FMN 123   9.214   4.694   8.510
  952    H2*  FMN 123           H2*      FMN 123   8.327   6.931   8.404
  953   *HO2  FMN 123          *HO2      FMN 123   6.295   7.202   8.429
  954    H3*  FMN 123           H3*      FMN 123   7.998   5.498   5.757
  955   *HO3  FMN 123          *HO3      FMN 123   9.885   6.911   5.460
  956    H4*  FMN 123           H4*      FMN 123   6.667   7.446   5.461
  957   *HO4  FMN 123          *HO4      FMN 123   8.120   8.784   4.211
  958   1H5*  FMN 123          1H5*      FMN 123   7.306   8.867   7.428
  959   2H5*  FMN 123          2H5*      FMN 123   8.836   9.253   6.631
   
  No H/Q in entry =         959
  Start of MODEL    8
    1   1H    MET   1          3H        MET   1  -9.361  -7.757 -14.714
    2   2H    MET   1          1H        MET   1  -9.567  -9.284 -14.179
    3   3H    MET   1          2H        MET   1 -10.889  -8.296 -14.317
    4    HA   MET   1           HA       MET   1 -10.016  -6.848 -12.620
    5   1HB   MET   1          1HB       MET   1 -10.122  -9.776 -11.745
    6   2HB   MET   1          2HB       MET   1 -10.192  -8.377 -10.669
    7   1HG   MET   1          1HG       MET   1 -12.427  -9.084 -10.948
    8   2HG   MET   1          2HG       MET   1 -12.233  -7.578 -11.832
    9   1HE   MET   1          1HE       MET   1 -13.390 -11.220 -11.879
   10   2HE   MET   1          2HE       MET   1 -13.170 -11.757 -13.555
   11   3HE   MET   1          3HE       MET   1 -11.752 -11.514 -12.511
   12    H    LEU   2           H        LEU   2  -8.315  -7.796 -10.442
   13    HA   LEU   2           HA       LEU   2  -5.676  -7.357 -11.508
   14   1HB   LEU   2          1HB       LEU   2  -6.830  -8.284  -8.838
   15   2HB   LEU   2          2HB       LEU   2  -5.114  -8.348  -9.131
   16    HG   LEU   2           HG       LEU   2  -5.749  -6.366  -7.870
   17   1HD1  LEU   2          2HD1      LEU   2  -3.734  -6.329  -9.306
   18   2HD1  LEU   2          3HD1      LEU   2  -4.689  -5.617 -10.632
   19   3HD1  LEU   2          1HD1      LEU   2  -4.458  -4.735  -9.120
   20   1HD2  LEU   2          3HD2      LEU   2  -7.991  -5.971  -8.935
   21   2HD2  LEU   2          1HD2      LEU   2  -6.986  -4.525  -8.768
   22   3HD2  LEU   2          2HD2      LEU   2  -7.144  -5.288 -10.351
   23    HA   PRO   3           HA       PRO   3  -4.834 -11.624 -12.593
   24   1HB   PRO   3          1HB       PRO   3  -2.111 -11.814 -12.154
   25   2HB   PRO   3          2HB       PRO   3  -2.815 -10.908 -13.512
   26   1HG   PRO   3          1HG       PRO   3  -1.831  -9.829 -10.879
   27   2HG   PRO   3          2HG       PRO   3  -1.547  -9.186 -12.526
   28   1HD   PRO   3          1HD       PRO   3  -3.468  -8.181 -10.853
   29   2HD   PRO   3          2HD       PRO   3  -3.679  -8.226 -12.628
   30    H    GLY   4           H        GLY   4  -4.066 -13.702 -11.625
   31   1HA   GLY   4          1HA       GLY   4  -4.710 -14.070  -8.874
   32   2HA   GLY   4          2HA       GLY   4  -3.802 -15.208  -9.901
   33    H    THR   5           H        THR   5  -1.507 -13.999 -10.568
   34    HA   THR   5           HA       THR   5   0.090 -14.052  -8.485
   35    HB   THR   5           HB       THR   5   0.669 -12.493 -10.975
   36    HG1  THR   5           HG1      THR   5   0.594 -15.265 -10.331
   37   1HG2  THR   5          3HG2      THR   5   2.462 -14.187  -9.168
   38   2HG2  THR   5          1HG2      THR   5   2.954 -13.386 -10.676
   39   3HG2  THR   5          2HG2      THR   5   2.499 -12.417  -9.259
   40    H    PHE   6           H        PHE   6  -1.614 -11.057  -9.304
   41    HA   PHE   6           HA       PHE   6  -0.130  -9.360  -7.488
   42   1HB   PHE   6          1HB       PHE   6  -1.727  -8.312  -8.942
   43   2HB   PHE   6          2HB       PHE   6  -3.010  -9.417  -8.486
   44    HD1  PHE   6           HD2      PHE   6  -1.126  -6.404  -7.411
   45    HD2  PHE   6           HD1      PHE   6  -4.374  -9.096  -6.532
   46    HE1  PHE   6           HE2      PHE   6  -1.998  -4.838  -5.659
   47    HE2  PHE   6           HE1      PHE   6  -5.196  -7.555  -4.782
   48    HZ   PHE   6           HZ       PHE   6  -3.943  -5.437  -4.315
   49    H    PHE   7           H        PHE   7  -3.033 -11.404  -6.945
   50    HA   PHE   7           HA       PHE   7  -3.101 -11.034  -4.127
   51   1HB   PHE   7          1HB       PHE   7  -4.397 -13.028  -5.982
   52   2HB   PHE   7          2HB       PHE   7  -4.438 -13.263  -4.245
   53    HD1  PHE   7           HD2      PHE   7  -5.441 -11.539  -2.727
   54    HD2  PHE   7           HD1      PHE   7  -5.836 -11.334  -7.019
   55    HE1  PHE   7           HE2      PHE   7  -7.337  -9.939  -2.482
   56    HE2  PHE   7           HE1      PHE   7  -7.706  -9.721  -6.754
   57    HZ   PHE   7           HZ       PHE   7  -8.446  -9.020  -4.478
   58    H    GLU   8           H        GLU   8  -1.571 -13.634  -6.112
   59    HA   GLU   8           HA       GLU   8  -0.601 -15.217  -3.996
   60   1HB   GLU   8          1HB       GLU   8   0.719 -14.625  -6.652
   61   2HB   GLU   8          2HB       GLU   8   1.179 -15.927  -5.586
   62   1HG   GLU   8          1HG       GLU   8  -0.593 -17.270  -6.110
   63   2HG   GLU   8          2HG       GLU   8  -1.708 -15.936  -6.325
   64    H    VAL   9           H        VAL   9   0.903 -12.227  -5.429
   65    HA   VAL   9           HA       VAL   9   3.182 -12.382  -3.663
   66    HB   VAL   9           HB       VAL   9   2.060  -9.990  -5.185
   67   1HG1  VAL   9          2HG1      VAL   9   4.740 -10.395  -3.770
   68   2HG1  VAL   9          3HG1      VAL   9   4.351  -9.041  -4.844
   69   3HG1  VAL   9          1HG1      VAL   9   3.487  -9.233  -3.307
   70   1HG2  VAL   9          3HG2      VAL   9   2.924 -11.835  -6.664
   71   2HG2  VAL   9          1HG2      VAL   9   3.946 -10.396  -6.728
   72   3HG2  VAL   9          2HG2      VAL   9   4.447 -11.813  -5.781
   73    H    LEU  10           H        LEU  10  -0.003 -10.651  -3.430
   74    HA   LEU  10           HA       LEU  10   0.520  -9.505  -0.854
   75   1HB   LEU  10          1HB       LEU  10  -2.093 -10.395  -2.120
   76   2HB   LEU  10          2HB       LEU  10  -2.004  -9.825  -0.477
   77    HG   LEU  10           HG       LEU  10  -2.837  -8.104  -1.821
   78   1HD1  LEU  10          2HD1      LEU  10  -1.350  -7.394   0.028
   79   2HD1  LEU  10          3HD1      LEU  10   0.000  -7.281  -1.131
   80   3HD1  LEU  10          1HD1      LEU  10  -1.421  -6.243  -1.312
   81   1HD2  LEU  10          3HD2      LEU  10  -0.344  -8.260  -3.532
   82   2HD2  LEU  10          1HD2      LEU  10  -2.034  -8.614  -3.994
   83   3HD2  LEU  10          2HD2      LEU  10  -1.565  -6.975  -3.583
   84    H    LYS  11           H        LYS  11  -0.355 -12.864  -1.696
   85    HA   LYS  11           HA       LYS  11  -0.943 -13.750   1.010
   86   1HB   LYS  11          1HB       LYS  11   0.194 -15.419  -1.239
   87   2HB   LYS  11          2HB       LYS  11  -0.436 -15.987   0.289
   88   1HG   LYS  11          1HG       LYS  11  -1.999 -14.852  -2.034
   89   2HG   LYS  11          2HG       LYS  11  -2.089 -16.417  -1.287
   90   1HD   LYS  11          1HD       LYS  11  -3.996 -15.513  -0.508
   91   2HD   LYS  11          2HD       LYS  11  -2.954 -15.129   0.849
   92   1HE   LYS  11          1HE       LYS  11  -3.197 -13.097  -1.383
   93   2HE   LYS  11          2HE       LYS  11  -4.653 -13.401  -0.432
   94   1HZ   LYS  11          2HZ       LYS  11  -3.362 -12.840   1.568
   95   2HZ   LYS  11          3HZ       LYS  11  -2.075 -12.427   0.629
   96   3HZ   LYS  11          1HZ       LYS  11  -3.467 -11.585   0.511
   97    H    ASN  12           H        ASN  12   2.096 -12.923  -0.498
   98    HA   ASN  12           HA       ASN  12   3.528 -14.370   1.665
   99   1HB   ASN  12          1HB       ASN  12   4.431 -13.173  -0.992
  100   2HB   ASN  12          2HB       ASN  12   5.543 -13.770   0.230
  101   1HD2  ASN  12          2HD2      ASN  12   3.501 -16.538  -1.966
  102   2HD2  ASN  12          1HD2      ASN  12   2.888 -14.902  -2.051
  103    H    GLU  13           H        GLU  13   5.273 -13.281   2.713
  104    HA   GLU  13           HA       GLU  13   4.722 -10.487   3.416
  105   1HB   GLU  13          1HB       GLU  13   5.507 -11.967   5.152
  106   2HB   GLU  13          2HB       GLU  13   6.872 -12.516   4.163
  107   1HG   GLU  13          1HG       GLU  13   7.907 -10.293   4.265
  108   2HG   GLU  13          2HG       GLU  13   6.502  -9.640   5.109
  109    H    GLY  14           H        GLY  14   5.953  -8.685   2.614
  110   1HA   GLY  14          1HA       GLY  14   8.358  -8.938   1.141
  111   2HA   GLY  14          2HA       GLY  14   6.938  -8.849   0.074
  112    H    VAL  15           H        VAL  15   8.424  -6.785  -0.346
  113    HA   VAL  15           HA       VAL  15   8.076  -4.591   1.602
  114    HB   VAL  15           HB       VAL  15   9.670  -4.751  -1.010
  115   1HG1  VAL  15          1HG1      VAL  15   9.677  -2.657   1.220
  116   2HG1  VAL  15          2HG1      VAL  15  10.838  -2.713  -0.124
  117   3HG1  VAL  15          3HG1      VAL  15   9.135  -2.418  -0.454
  118   1HG2  VAL  15          3HG2      VAL  15  10.655  -6.275   0.687
  119   2HG2  VAL  15          1HG2      VAL  15  11.693  -4.874   0.393
  120   3HG2  VAL  15          2HG2      VAL  15  10.677  -4.927   1.845
  121    H    VAL  16           H        VAL  16   6.884  -2.762   1.013
  122    HA   VAL  16           HA       VAL  16   5.634  -2.639  -1.636
  123    HB   VAL  16           HB       VAL  16   4.220  -2.316   1.032
  124   1HG1  VAL  16          3HG1      VAL  16   3.051  -2.097  -1.774
  125   2HG1  VAL  16          1HG1      VAL  16   2.118  -2.095  -0.263
  126   3HG1  VAL  16          2HG1      VAL  16   3.221  -0.771  -0.600
  127   1HG2  VAL  16          3HG2      VAL  16   4.016  -4.528  -1.021
  128   2HG2  VAL  16          1HG2      VAL  16   4.441  -4.661   0.694
  129   3HG2  VAL  16          2HG2      VAL  16   2.795  -4.251   0.231
  130    H    ALA  17           H        ALA  17   4.998  -0.378  -2.084
  131    HA   ALA  17           HA       ALA  17   5.985   1.679  -0.326
  132   1HB   ALA  17          2HB       ALA  17   7.915   0.942  -1.960
  133   2HB   ALA  17          3HB       ALA  17   6.917   1.667  -3.220
  134   3HB   ALA  17          1HB       ALA  17   7.522   2.664  -1.898
  135    H    ILE  18           H        ILE  18   4.961   3.769  -0.943
  136    HA   ILE  18           HA       ILE  18   2.721   3.534  -2.869
  137    HB   ILE  18           HB       ILE  18   2.477   4.390   0.032
  138   1HG1  ILE  18          1HG1      ILE  18   0.667   2.251  -1.005
  139   2HG1  ILE  18          2HG1      ILE  18   2.331   1.763  -0.797
  140   1HG2  ILE  18          3HG2      ILE  18   0.342   4.393  -2.136
  141   2HG2  ILE  18          1HG2      ILE  18   0.064   4.711  -0.407
  142   3HG2  ILE  18          2HG2      ILE  18   1.058   5.815  -1.344
  143   1HD1  ILE  18          1HD1      ILE  18   2.339   2.585   1.530
  144   2HD1  ILE  18          2HD1      ILE  18   0.606   2.968   1.367
  145   3HD1  ILE  18          3HD1      ILE  18   1.184   1.284   1.216
  146    H    ALA  19           H        ALA  19   2.895   5.371  -4.164
  147    HA   ALA  19           HA       ALA  19   4.416   7.721  -3.103
  148   1HB   ALA  19          3HB       ALA  19   4.987   6.854  -5.454
  149   2HB   ALA  19          1HB       ALA  19   3.369   7.432  -5.926
  150   3HB   ALA  19          2HB       ALA  19   4.555   8.564  -5.295
  151    H    THR  20           H        THR  20   3.059   8.826  -1.797
  152    HA   THR  20           HA       THR  20   0.228   8.961  -2.394
  153    HB   THR  20           HB       THR  20   1.745  10.635  -0.349
  154    HG1  THR  20           HG1      THR  20   2.202   8.972   0.739
  155   1HG2  THR  20          1HG2      THR  20  -0.803  10.870  -0.818
  156   2HG2  THR  20          2HG2      THR  20  -0.962   9.209  -0.237
  157   3HG2  THR  20          3HG2      THR  20  -0.356  10.483   0.839
  158    H    GLN  21           H        GLN  21  -0.481  10.586  -4.092
  159    HA   GLN  21           HA       GLN  21   1.369  12.823  -4.528
  160   1HB   GLN  21          1HB       GLN  21   0.197  11.927  -6.516
  161   2HB   GLN  21          2HB       GLN  21  -1.359  12.284  -5.758
  162   1HG   GLN  21          1HG       GLN  21  -0.751  13.971  -7.428
  163   2HG   GLN  21          2HG       GLN  21  -0.970  14.664  -5.841
  164   1HE2  GLN  21          2HE2      GLN  21   2.335  15.682  -7.710
  165   2HE2  GLN  21          1HE2      GLN  21   0.918  15.005  -8.490
  166    H    GLY  22           H        GLY  22   0.893  14.947  -3.921
  167   1HA   GLY  22          1HA       GLY  22  -1.508  15.298  -2.202
  168   2HA   GLY  22          2HA       GLY  22   0.067  15.815  -1.567
  169    H    GLU  23           H        GLU  23   1.234  17.543  -2.743
  170    HA   GLU  23           HA       GLU  23  -0.301  19.109  -4.712
  171   1HB   GLU  23          1HB       GLU  23  -1.362  19.531  -2.515
  172   2HB   GLU  23          2HB       GLU  23   0.185  19.996  -1.822
  173   1HG   GLU  23          1HG       GLU  23   0.200  22.034  -3.161
  174   2HG   GLU  23          2HG       GLU  23  -1.203  21.475  -4.094
  175    H    ASP  24           H        ASP  24   2.248  19.465  -2.165
  176    HA   ASP  24           HA       ASP  24   4.180  20.670  -3.969
  177   1HB   ASP  24          1HB       ASP  24   5.497  20.901  -1.952
  178   2HB   ASP  24          2HB       ASP  24   3.846  21.415  -1.605
  179    H    GLY  25           H        GLY  25   3.322  18.129  -4.786
  180   1HA   GLY  25          1HA       GLY  25   4.437  16.502  -5.947
  181   2HA   GLY  25          2HA       GLY  25   5.922  16.803  -5.064
  182    HA   PRO  26           HA       PRO  26   3.356  13.143  -3.603
  183   1HB   PRO  26          1HB       PRO  26   4.280  10.943  -5.014
  184   2HB   PRO  26          2HB       PRO  26   3.009  12.026  -5.613
  185   1HG   PRO  26          1HG       PRO  26   5.981  12.124  -6.222
  186   2HG   PRO  26          2HG       PRO  26   4.616  12.198  -7.384
  187   1HD   PRO  26          1HD       PRO  26   5.880  14.445  -6.462
  188   2HD   PRO  26          2HD       PRO  26   4.123  14.423  -6.798
  189    H    HIS  27           H        HIS  27   3.999  11.326  -2.251
  190    HA   HIS  27           HA       HIS  27   6.901  11.327  -1.534
  191   1HB   HIS  27          1HB       HIS  27   5.420  12.479   0.230
  192   2HB   HIS  27          2HB       HIS  27   4.707  10.923   0.510
  193    HD1  HIS  27           HD1      HIS  27   8.515  11.559  -0.095
  194    HD2  HIS  27           HD2      HIS  27   5.795  10.134   2.782
  195    HE1  HIS  27           HE1      HIS  27   9.890  10.297   1.641
  196    H    LEU  28           H        LEU  28   7.670   9.392  -2.342
  197    HA   LEU  28           HA       LEU  28   6.009   6.982  -2.288
  198   1HB   LEU  28          1HB       LEU  28   7.452   7.475  -4.199
  199   2HB   LEU  28          2HB       LEU  28   8.877   7.341  -3.171
  200    HG   LEU  28           HG       LEU  28   8.608   4.974  -2.919
  201   1HD1  LEU  28          1HD1      LEU  28   5.844   5.294  -4.144
  202   2HD1  LEU  28          2HD1      LEU  28   6.634   3.744  -3.914
  203   3HD1  LEU  28          3HD1      LEU  28   6.253   4.736  -2.500
  204   1HD2  LEU  28          2HD2      LEU  28   9.381   5.656  -5.210
  205   2HD2  LEU  28          3HD2      LEU  28   8.502   4.117  -5.223
  206   3HD2  LEU  28          1HD2      LEU  28   7.693   5.592  -5.775
  207    H    VAL  29           H        VAL  29   5.532   6.669  -0.139
  208    HA   VAL  29           HA       VAL  29   7.628   6.287   1.871
  209    HB   VAL  29           HB       VAL  29   5.802   5.585   3.337
  210   1HG1  VAL  29          1HG1      VAL  29   6.147   7.963   3.094
  211   2HG1  VAL  29          2HG1      VAL  29   4.996   8.038   1.745
  212   3HG1  VAL  29          3HG1      VAL  29   4.452   7.620   3.387
  213   1HG2  VAL  29          1HG2      VAL  29   4.336   4.381   1.663
  214   2HG2  VAL  29          2HG2      VAL  29   3.477   5.491   2.741
  215   3HG2  VAL  29          3HG2      VAL  29   3.808   5.985   1.087
  216    H    ASN  30           H        ASN  30   7.520   4.096   3.152
  217    HA   ASN  30           HA       ASN  30   7.206   1.787   1.305
  218   1HB   ASN  30          1HB       ASN  30   9.444   2.337   3.250
  219   2HB   ASN  30          2HB       ASN  30   8.996   0.686   2.845
  220   1HD2  ASN  30          2HD2      ASN  30   9.971   1.106  -0.647
  221   2HD2  ASN  30          1HD2      ASN  30   8.561   0.486   0.216
  222    H    THR  31           H        THR  31   6.825  -0.293   2.425
  223    HA   THR  31           HA       THR  31   6.111  -0.467   5.138
  224    HB   THR  31           HB       THR  31   4.132   0.813   4.422
  225    HG1  THR  31           HG1      THR  31   3.582  -0.363   6.032
  226   1HG2  THR  31          1HG2      THR  31   3.978  -0.093   2.053
  227   2HG2  THR  31          2HG2      THR  31   3.272  -1.568   2.784
  228   3HG2  THR  31          3HG2      THR  31   2.466  -0.007   2.964
  229    H    TRP  32           H        TRP  32   5.008  -2.743   5.410
  230    HA   TRP  32           HA       TRP  32   6.146  -4.652   3.426
  231   1HB   TRP  32          1HB       TRP  32   6.135  -4.919   6.455
  232   2HB   TRP  32          2HB       TRP  32   6.472  -6.238   5.346
  233    HD1  TRP  32           HD1      TRP  32   7.954  -2.932   6.522
  234    HE1  TRP  32           HE1      TRP  32  10.419  -2.833   6.019
  235    HE3  TRP  32           HE3      TRP  32   8.373  -7.362   4.033
  236    HZ2  TRP  32           HZ2      TRP  32  12.413  -4.528   4.676
  237    HZ3  TRP  32           HZ3      TRP  32  10.577  -8.128   3.172
  238    HH2  TRP  32           HH2      TRP  32  12.596  -6.701   3.451
  239    H    ASN  33           H        ASN  33   4.796  -6.360   2.844
  240    HA   ASN  33           HA       ASN  33   1.992  -6.282   3.186
  241   1HB   ASN  33          1HB       ASN  33   3.844  -8.603   2.593
  242   2HB   ASN  33          2HB       ASN  33   2.112  -8.836   2.787
  243   1HD2  ASN  33          2HD2      ASN  33   2.764  -8.446  -0.838
  244   2HD2  ASN  33          1HD2      ASN  33   3.165  -9.620   0.398
  245    H    SER  34           H        SER  34   4.440  -7.479   5.349
  246    HA   SER  34           HA       SER  34   3.032  -9.175   7.094
  247   1HB   SER  34          1HB       SER  34   5.550  -8.659   6.684
  248   2HB   SER  34          2HB       SER  34   5.334  -7.301   7.776
  249    HG   SER  34           HG       SER  34   5.982  -9.709   8.351
  250    H    TYR  35           H        TYR  35   2.737  -5.753   6.646
  251    HA   TYR  35           HA       TYR  35   1.527  -5.272   9.332
  252   1HB   TYR  35          1HB       TYR  35   2.491  -3.247   7.324
  253   2HB   TYR  35          2HB       TYR  35   2.093  -3.005   9.013
  254    HD1  TYR  35           HD1      TYR  35   3.932  -5.660   9.802
  255    HD2  TYR  35           HD2      TYR  35   4.464  -1.907   7.732
  256    HE1  TYR  35           HE1      TYR  35   6.331  -5.744  10.281
  257    HE2  TYR  35           HE2      TYR  35   6.869  -1.928   8.314
  258    HH   TYR  35           HH       TYR  35   8.406  -4.689   9.990
  259    H    LEU  36           H        LEU  36   0.619  -5.935   6.085
  260    HA   LEU  36           HA       LEU  36  -1.442  -3.807   5.957
  261   1HB   LEU  36          1HB       LEU  36  -0.628  -5.860   3.842
  262   2HB   LEU  36          2HB       LEU  36  -1.679  -4.472   3.599
  263    HG   LEU  36           HG       LEU  36   1.307  -4.441   4.075
  264   1HD1  LEU  36          3HD1      LEU  36   0.516  -4.948   1.766
  265   2HD1  LEU  36          1HD1      LEU  36  -0.413  -3.436   1.765
  266   3HD1  LEU  36          2HD1      LEU  36   1.359  -3.395   1.863
  267   1HD2  LEU  36          2HD2      LEU  36  -0.611  -2.129   3.896
  268   2HD2  LEU  36          3HD2      LEU  36   0.395  -2.552   5.310
  269   3HD2  LEU  36          1HD2      LEU  36   1.164  -1.979   3.836
  270    H    LYS  37           H        LYS  37  -3.517  -4.459   4.832
  271    HA   LYS  37           HA       LYS  37  -4.385  -7.203   5.428
  272   1HB   LYS  37          1HB       LYS  37  -6.459  -6.613   6.396
  273   2HB   LYS  37          2HB       LYS  37  -5.169  -5.902   7.376
  274   1HG   LYS  37          1HG       LYS  37  -5.578  -3.713   6.392
  275   2HG   LYS  37          2HG       LYS  37  -6.831  -4.385   5.319
  276   1HD   LYS  37          1HD       LYS  37  -6.961  -4.262   8.338
  277   2HD   LYS  37          2HD       LYS  37  -7.769  -3.174   7.218
  278   1HE   LYS  37          1HE       LYS  37  -8.639  -5.568   6.227
  279   2HE   LYS  37          2HE       LYS  37  -8.453  -6.023   7.921
  280   1HZ   LYS  37          1HZ       LYS  37 -10.087  -3.772   6.883
  281   2HZ   LYS  37          2HZ       LYS  37 -10.705  -5.172   7.345
  282   3HZ   LYS  37          3HZ       LYS  37 -10.019  -4.186   8.471
  283    H    VAL  38           H        VAL  38  -5.782  -7.961   3.798
  284    HA   VAL  38           HA       VAL  38  -6.115  -6.204   1.420
  285    HB   VAL  38           HB       VAL  38  -5.859  -9.213   1.717
  286   1HG1  VAL  38          3HG1      VAL  38  -6.361  -7.645  -0.817
  287   2HG1  VAL  38          1HG1      VAL  38  -5.846  -9.340  -0.756
  288   3HG1  VAL  38          2HG1      VAL  38  -7.405  -8.855  -0.078
  289   1HG2  VAL  38          2HG2      VAL  38  -3.930  -7.272   0.458
  290   2HG2  VAL  38          3HG2      VAL  38  -3.684  -8.193   1.946
  291   3HG2  VAL  38          1HG2      VAL  38  -3.822  -9.036   0.404
  292    H    LEU  39           H        LEU  39  -8.274  -6.026   0.627
  293    HA   LEU  39           HA       LEU  39 -10.407  -7.473   2.077
  294   1HB   LEU  39          1HB       LEU  39 -10.779  -4.784   0.773
  295   2HB   LEU  39          2HB       LEU  39 -11.815  -5.572   1.947
  296    HG   LEU  39           HG       LEU  39  -9.131  -4.248   2.503
  297   1HD1  LEU  39          2HD1      LEU  39 -11.123  -2.763   1.916
  298   2HD1  LEU  39          3HD1      LEU  39 -11.890  -3.340   3.409
  299   3HD1  LEU  39          1HD1      LEU  39 -10.354  -2.459   3.470
  300   1HD2  LEU  39          3HD2      LEU  39  -9.633  -6.142   4.091
  301   2HD2  LEU  39          1HD2      LEU  39  -9.575  -4.530   4.815
  302   3HD2  LEU  39          2HD2      LEU  39 -11.147  -5.312   4.526
  303    H    ASP  40           H        ASP  40 -12.462  -7.048   0.445
  304    HA   ASP  40           HA       ASP  40 -11.780  -8.295  -2.060
  305   1HB   ASP  40          1HB       ASP  40 -13.780  -8.991  -0.819
  306   2HB   ASP  40          2HB       ASP  40 -14.427  -7.344  -0.909
  307    H    GLY  41           H        GLY  41 -13.164  -7.186  -4.010
  308   1HA   GLY  41          1HA       GLY  41 -13.215  -5.462  -5.553
  309   2HA   GLY  41          2HA       GLY  41 -13.465  -4.393  -4.160
  310    H    ASN  42           H        ASN  42 -10.675  -6.355  -4.449
  311    HA   ASN  42           HA       ASN  42  -8.449  -6.134  -4.510
  312   1HB   ASN  42          1HB       ASN  42  -7.420  -4.838  -6.201
  313   2HB   ASN  42          2HB       ASN  42  -8.959  -5.369  -6.876
  314   1HD2  ASN  42          2HD2      ASN  42  -9.529  -1.949  -7.688
  315   2HD2  ASN  42          1HD2      ASN  42  -9.797  -3.631  -8.198
  316    H    ARG  43           H        ARG  43 -10.203  -4.202  -2.706
  317    HA   ARG  43           HA       ARG  43  -8.472  -1.938  -2.342
  318   1HB   ARG  43          1HB       ARG  43 -10.890  -1.992  -1.990
  319   2HB   ARG  43          2HB       ARG  43 -10.712  -3.076  -0.617
  320   1HG   ARG  43          1HG       ARG  43  -9.642  -1.384   0.714
  321   2HG   ARG  43          2HG       ARG  43  -9.425  -0.313  -0.681
  322   1HD   ARG  43          1HD       ARG  43 -12.175  -1.231   0.254
  323   2HD   ARG  43          2HD       ARG  43 -11.416   0.225   0.865
  324    HE   ARG  43           HE       ARG  43 -11.287   1.105  -1.419
  325   1HH1  ARG  43          2HH2      ARG  43 -13.521  -1.629  -1.071
  326   2HH1  ARG  43          1HH2      ARG  43 -14.484  -1.189  -2.430
  327   1HH2  ARG  43          2HH1      ARG  43 -12.437   1.646  -3.167
  328   2HH2  ARG  43          1HH1      ARG  43 -13.874   0.813  -3.674
  329    H    ILE  44           H        ILE  44  -6.592  -1.779  -1.171
  330    HA   ILE  44           HA       ILE  44  -6.026  -3.968   0.801
  331    HB   ILE  44           HB       ILE  44  -3.882  -2.353  -0.644
  332   1HG1  ILE  44          1HG1      ILE  44  -5.035  -3.457  -2.482
  333   2HG1  ILE  44          2HG1      ILE  44  -3.481  -4.178  -2.214
  334   1HG2  ILE  44          2HG2      ILE  44  -4.001  -5.055   0.812
  335   2HG2  ILE  44          3HG2      ILE  44  -2.559  -4.473  -0.028
  336   3HG2  ILE  44          1HG2      ILE  44  -3.186  -3.600   1.376
  337   1HD1  ILE  44          1HD1      ILE  44  -6.003  -5.441  -1.081
  338   2HD1  ILE  44          2HD1      ILE  44  -5.456  -5.755  -2.725
  339   3HD1  ILE  44          3HD1      ILE  44  -4.412  -6.189  -1.370
  340    H    VAL  45           H        VAL  45  -4.808  -3.089   2.715
  341    HA   VAL  45           HA       VAL  45  -5.153  -0.182   3.088
  342    HB   VAL  45           HB       VAL  45  -6.303  -2.234   4.978
  343   1HG1  VAL  45          2HG1      VAL  45  -5.539  -0.219   6.157
  344   2HG1  VAL  45          3HG1      VAL  45  -6.493   0.792   5.049
  345   3HG1  VAL  45          1HG1      VAL  45  -7.297  -0.348   6.148
  346   1HG2  VAL  45          1HG2      VAL  45  -7.627  -0.569   2.842
  347   2HG2  VAL  45          2HG2      VAL  45  -7.821  -2.287   3.209
  348   3HG2  VAL  45          3HG2      VAL  45  -8.514  -1.060   4.274
  349    H    VAL  46           H        VAL  46  -3.750   0.717   4.441
  350    HA   VAL  46           HA       VAL  46  -1.433  -0.886   5.323
  351    HB   VAL  46           HB       VAL  46  -1.626   1.894   4.101
  352   1HG1  VAL  46          2HG1      VAL  46   0.865   0.299   4.787
  353   2HG1  VAL  46          3HG1      VAL  46   0.834   1.835   3.892
  354   3HG1  VAL  46          1HG1      VAL  46   0.307   1.792   5.570
  355   1HG2  VAL  46          1HG2      VAL  46  -2.037  -0.025   2.416
  356   2HG2  VAL  46          2HG2      VAL  46  -0.887   1.226   2.052
  357   3HG2  VAL  46          3HG2      VAL  46  -0.299  -0.352   2.600
  358    HA   PRO  47           HA       PRO  47  -2.308   1.486   9.084
  359   1HB   PRO  47          1HB       PRO  47  -0.312   0.616  10.684
  360   2HB   PRO  47          2HB       PRO  47  -1.645  -0.459  10.174
  361   1HG   PRO  47          1HG       PRO  47   1.114  -0.255   8.916
  362   2HG   PRO  47          2HG       PRO  47   0.260  -1.722   9.463
  363   1HD   PRO  47          1HD       PRO  47   0.261  -0.818   6.873
  364   2HD   PRO  47          2HD       PRO  47  -1.173  -1.640   7.573
  365    H    VAL  48           H        VAL  48  -1.935   3.627   8.765
  366    HA   VAL  48           HA       VAL  48   0.812   4.612   8.284
  367    HB   VAL  48           HB       VAL  48  -0.807   5.676   6.777
  368   1HG1  VAL  48          1HG1      VAL  48  -2.502   6.174   9.139
  369   2HG1  VAL  48          2HG1      VAL  48  -2.762   6.853   7.520
  370   3HG1  VAL  48          3HG1      VAL  48  -2.868   5.122   7.740
  371   1HG2  VAL  48          1HG2      VAL  48   0.873   7.105   8.267
  372   2HG2  VAL  48          2HG2      VAL  48  -0.353   7.932   7.300
  373   3HG2  VAL  48          3HG2      VAL  48  -0.606   7.694   9.031
  374    H    GLY  49           H        GLY  49   1.955   4.841  10.083
  375   1HA   GLY  49          1HA       GLY  49   0.597   5.727  12.599
  376   2HA   GLY  49          2HA       GLY  49   2.010   4.673  12.528
  377    H    GLY  50           H        GLY  50   3.253   6.307  10.259
  378   1HA   GLY  50          1HA       GLY  50   3.793   8.913  11.420
  379   2HA   GLY  50          2HA       GLY  50   5.074   7.684  11.501
  380    H    MET  51           H        MET  51   2.552   8.228   8.987
  381    HA   MET  51           HA       MET  51   4.650   8.808   6.973
  382   1HB   MET  51          1HB       MET  51   1.912   7.582   6.451
  383   2HB   MET  51          2HB       MET  51   3.169   7.923   5.285
  384   1HG   MET  51          1HG       MET  51   4.556   6.241   5.979
  385   2HG   MET  51          2HG       MET  51   3.777   6.049   7.549
  386   1HE   MET  51          3HE       MET  51   4.694   3.761   6.191
  387   2HE   MET  51          1HE       MET  51   3.580   2.796   5.185
  388   3HE   MET  51          2HE       MET  51   4.439   4.193   4.504
  389    H    HIS  52           H        HIS  52   4.563  10.880   7.903
  390    HA   HIS  52           HA       HIS  52   2.241  12.419   8.595
  391   1HB   HIS  52          1HB       HIS  52   5.140  13.300   8.156
  392   2HB   HIS  52          2HB       HIS  52   3.915  14.085   9.151
  393    HD1  HIS  52           HD1      HIS  52   6.324  11.204   9.049
  394    HD2  HIS  52           HD2      HIS  52   3.294  12.723  11.547
  395    HE1  HIS  52           HE1      HIS  52   6.668  10.111  11.362
  396    H    LYS  53           H        LYS  53   4.761  12.845   6.011
  397    HA   LYS  53           HA       LYS  53   3.384  15.044   4.747
  398   1HB   LYS  53          1HB       LYS  53   5.833  14.533   4.357
  399   2HB   LYS  53          2HB       LYS  53   5.335  13.124   3.391
  400   1HG   LYS  53          1HG       LYS  53   4.016  14.608   1.902
  401   2HG   LYS  53          2HG       LYS  53   4.412  15.999   2.920
  402   1HD   LYS  53          1HD       LYS  53   6.867  15.530   2.296
  403   2HD   LYS  53          2HD       LYS  53   6.232  14.462   1.036
  404   1HE   LYS  53          1HE       LYS  53   5.625  17.431   1.438
  405   2HE   LYS  53          2HE       LYS  53   6.639  16.783   0.168
  406   1HZ   LYS  53          3HZ       LYS  53   3.742  16.125   0.357
  407   2HZ   LYS  53          1HZ       LYS  53   4.304  17.467  -0.294
  408   3HZ   LYS  53          2HZ       LYS  53   4.746  16.083  -1.001
  409    H    THR  54           H        THR  54   3.318  11.517   4.432
  410    HA   THR  54           HA       THR  54   1.471  11.467   2.241
  411    HB   THR  54           HB       THR  54   2.483   9.567   4.288
  412    HG1  THR  54           HG1      THR  54   3.705  10.175   2.588
  413   1HG2  THR  54          3HG2      THR  54   0.254   8.896   2.338
  414   2HG2  THR  54          1HG2      THR  54   1.409   7.691   2.949
  415   3HG2  THR  54          2HG2      THR  54   0.353   8.557   4.070
  416    H    GLU  55           H        GLU  55   0.805  11.619   5.804
  417    HA   GLU  55           HA       GLU  55  -2.012  11.396   5.609
  418   1HB   GLU  55          1HB       GLU  55  -0.552  11.221   7.645
  419   2HB   GLU  55          2HB       GLU  55  -0.331  12.959   7.631
  420   1HG   GLU  55          1HG       GLU  55  -2.499  13.385   8.368
  421   2HG   GLU  55          2HG       GLU  55  -3.141  11.883   7.712
  422    H    ALA  56           H        ALA  56   0.076  14.291   5.526
  423    HA   ALA  56           HA       ALA  56  -2.048  16.136   4.907
  424   1HB   ALA  56          3HB       ALA  56   0.187  16.866   5.704
  425   2HB   ALA  56          1HB       ALA  56   0.922  16.282   4.193
  426   3HB   ALA  56          2HB       ALA  56  -0.228  17.631   4.155
  427    H    ASN  57           H        ASN  57   0.143  14.270   2.787
  428    HA   ASN  57           HA       ASN  57  -0.721  15.423   0.375
  429   1HB   ASN  57          1HB       ASN  57   0.555  12.766   1.009
  430   2HB   ASN  57          2HB       ASN  57   0.054  13.104  -0.603
  431   1HD2  ASN  57          2HD2      ASN  57   3.377  14.177  -1.081
  432   2HD2  ASN  57          1HD2      ASN  57   2.320  12.792  -1.159
  433    H    VAL  58           H        VAL  58  -2.043  12.486   2.070
  434    HA   VAL  58           HA       VAL  58  -4.019  12.074   0.035
  435    HB   VAL  58           HB       VAL  58  -4.091  11.127   2.924
  436   1HG1  VAL  58          3HG1      VAL  58  -5.751  10.353   0.484
  437   2HG1  VAL  58          1HG1      VAL  58  -5.775   9.500   2.043
  438   3HG1  VAL  58          2HG1      VAL  58  -6.358  11.172   1.940
  439   1HG2  VAL  58          2HG2      VAL  58  -3.197   9.898   0.278
  440   2HG2  VAL  58          3HG2      VAL  58  -2.284  10.032   1.804
  441   3HG2  VAL  58          1HG2      VAL  58  -3.620   8.895   1.672
  442    H    ALA  59           H        ALA  59  -4.069  13.988   3.109
  443    HA   ALA  59           HA       ALA  59  -6.729  14.936   2.748
  444   1HB   ALA  59          2HB       ALA  59  -5.408  15.258   4.823
  445   2HB   ALA  59          3HB       ALA  59  -4.392  16.447   3.979
  446   3HB   ALA  59          1HB       ALA  59  -6.118  16.769   4.216
  447    H    ARG  60           H        ARG  60  -3.804  15.823   0.922
  448    HA   ARG  60           HA       ARG  60  -5.321  18.001  -0.409
  449   1HB   ARG  60          1HB       ARG  60  -2.616  16.941  -1.236
  450   2HB   ARG  60          2HB       ARG  60  -3.341  18.468  -1.668
  451   1HG   ARG  60          1HG       ARG  60  -1.711  17.719   0.702
  452   2HG   ARG  60          2HG       ARG  60  -1.701  19.159  -0.263
  453   1HD   ARG  60          1HD       ARG  60  -3.143  18.578   2.241
  454   2HD   ARG  60          2HD       ARG  60  -2.475  20.104   1.646
  455    HE   ARG  60           HE       ARG  60  -5.019  18.788   0.983
  456   1HH1  ARG  60          2HH2      ARG  60  -2.908  21.579   0.199
  457   2HH1  ARG  60          1HH2      ARG  60  -3.902  22.185  -0.934
  458   1HH2  ARG  60          2HH1      ARG  60  -6.581  19.880  -0.307
  459   2HH2  ARG  60          1HH1      ARG  60  -6.142  21.364  -1.102
  460    H    ASP  61           H        ASP  61  -4.182  14.898  -1.319
  461    HA   ASP  61           HA       ASP  61  -6.165  14.841  -3.523
  462   1HB   ASP  61          1HB       ASP  61  -4.190  15.940  -4.529
  463   2HB   ASP  61          2HB       ASP  61  -3.205  14.522  -4.140
  464    H    GLU  62           H        GLU  62  -6.826  12.843  -4.133
  465    HA   GLU  62           HA       GLU  62  -6.132  10.632  -2.339
  466   1HB   GLU  62          1HB       GLU  62  -7.950   9.402  -3.505
  467   2HB   GLU  62          2HB       GLU  62  -8.456  10.925  -2.786
  468   1HG   GLU  62          1HG       GLU  62  -9.177  11.731  -4.751
  469   2HG   GLU  62          2HG       GLU  62  -7.638  11.416  -5.518
  470    H    ARG  63           H        ARG  63  -4.956  11.538  -5.508
  471    HA   ARG  63           HA       ARG  63  -4.798   8.859  -6.594
  472   1HB   ARG  63          1HB       ARG  63  -3.245  11.379  -7.344
  473   2HB   ARG  63          2HB       ARG  63  -3.009   9.813  -8.112
  474   1HG   ARG  63          1HG       ARG  63  -4.450  10.901  -9.569
  475   2HG   ARG  63          2HG       ARG  63  -5.483   9.783  -8.672
  476   1HD   ARG  63          1HD       ARG  63  -5.446  12.178  -7.174
  477   2HD   ARG  63          2HD       ARG  63  -5.538  12.725  -8.838
  478    HE   ARG  63           HE       ARG  63  -7.369  10.564  -7.996
  479   1HH1  ARG  63          2HH2      ARG  63  -6.976  13.918  -7.311
  480   2HH1  ARG  63          1HH2      ARG  63  -8.612  14.388  -7.493
  481   1HH2  ARG  63          2HH1      ARG  63  -9.488  10.938  -7.876
  482   2HH2  ARG  63          1HH1      ARG  63 -10.202  12.515  -7.724
  483    H    VAL  64           H        VAL  64  -3.442   7.186  -6.085
  484    HA   VAL  64           HA       VAL  64  -0.752   7.972  -5.171
  485    HB   VAL  64           HB       VAL  64  -0.679   6.409  -3.390
  486   1HG1  VAL  64          2HG1      VAL  64  -1.712   8.728  -2.953
  487   2HG1  VAL  64          3HG1      VAL  64  -3.261   7.927  -2.921
  488   3HG1  VAL  64          1HG1      VAL  64  -2.014   7.475  -1.738
  489   1HG2  VAL  64          1HG2      VAL  64  -2.207   4.634  -4.165
  490   2HG2  VAL  64          2HG2      VAL  64  -2.646   5.172  -2.545
  491   3HG2  VAL  64          3HG2      VAL  64  -3.600   5.718  -3.943
  492    H    LEU  65           H        LEU  65   0.865   6.579  -5.600
  493    HA   LEU  65           HA       LEU  65   0.313   4.477  -7.676
  494   1HB   LEU  65          1HB       LEU  65   2.207   6.310  -7.973
  495   2HB   LEU  65          2HB       LEU  65   3.018   5.430  -6.671
  496    HG   LEU  65           HG       LEU  65   2.782   3.318  -8.146
  497   1HD1  LEU  65          3HD1      LEU  65   1.161   4.310  -9.778
  498   2HD1  LEU  65          1HD1      LEU  65   2.405   5.466 -10.291
  499   3HD1  LEU  65          2HD1      LEU  65   2.631   3.721 -10.559
  500   1HD2  LEU  65          3HD2      LEU  65   4.599   5.595  -9.025
  501   2HD2  LEU  65          1HD2      LEU  65   4.919   4.435  -7.719
  502   3HD2  LEU  65          2HD2      LEU  65   4.830   3.869  -9.392
  503    H    MET  66           H        MET  66   1.071   2.260  -7.012
  504    HA   MET  66           HA       MET  66   2.088   2.019  -4.235
  505   1HB   MET  66          1HB       MET  66  -0.399   1.810  -4.153
  506   2HB   MET  66          2HB       MET  66  -0.313   0.471  -5.297
  507   1HG   MET  66          1HG       MET  66   0.999  -0.835  -3.622
  508   2HG   MET  66          2HG       MET  66   0.905   0.539  -2.512
  509   1HE   MET  66          2HE       MET  66  -0.372  -0.399  -0.439
  510   2HE   MET  66          3HE       MET  66  -1.746  -1.507  -0.534
  511   3HE   MET  66          1HE       MET  66  -0.152  -2.049  -1.086
  512    H    THR  67           H        THR  67   3.945   0.757  -4.423
  513    HA   THR  67           HA       THR  67   4.008  -1.123  -6.761
  514    HB   THR  67           HB       THR  67   6.378  -0.935  -6.814
  515    HG1  THR  67           HG1      THR  67   6.253  -0.361  -4.329
  516   1HG2  THR  67          2HG2      THR  67   5.235   1.037  -7.923
  517   2HG2  THR  67          3HG2      THR  67   5.453   1.959  -6.417
  518   3HG2  THR  67          1HG2      THR  67   6.863   1.408  -7.315
  519    H    LEU  68           H        LEU  68   4.032  -3.284  -6.048
  520    HA   LEU  68           HA       LEU  68   4.723  -3.760  -3.195
  521   1HB   LEU  68          1HB       LEU  68   3.076  -5.425  -2.912
  522   2HB   LEU  68          2HB       LEU  68   2.340  -3.903  -3.379
  523    HG   LEU  68           HG       LEU  68   2.293  -4.977  -5.808
  524   1HD1  LEU  68          1HD1      LEU  68   2.420  -7.455  -4.094
  525   2HD1  LEU  68          2HD1      LEU  68   1.914  -7.392  -5.793
  526   3HD1  LEU  68          3HD1      LEU  68   3.578  -6.995  -5.377
  527   1HD2  LEU  68          3HD2      LEU  68   0.548  -5.875  -3.467
  528   2HD2  LEU  68          1HD2      LEU  68   0.319  -4.408  -4.430
  529   3HD2  LEU  68          2HD2      LEU  68   0.096  -6.001  -5.181
  530    H    GLY  69           H        GLY  69   5.674  -5.930  -2.793
  531   1HA   GLY  69          1HA       GLY  69   6.303  -7.715  -4.895
  532   2HA   GLY  69          2HA       GLY  69   7.624  -6.539  -4.684
  533    H    SER  70           H        SER  70   8.702  -8.684  -4.103
  534    HA   SER  70           HA       SER  70   9.001  -8.689  -1.225
  535   1HB   SER  70          1HB       SER  70   7.099 -10.334  -1.539
  536   2HB   SER  70          2HB       SER  70   8.131 -11.267  -2.637
  537    HG   SER  70           HG       SER  70   8.010 -11.355   0.026
  538    H    ARG  71           H        ARG  71  10.789 -10.228  -0.674
  539    HA   ARG  71           HA       ARG  71  12.824 -10.393  -2.878
  540   1HB   ARG  71          1HB       ARG  71  13.360 -10.610   0.103
  541   2HB   ARG  71          2HB       ARG  71  14.532 -10.530  -1.200
  542   1HG   ARG  71          1HG       ARG  71  12.806  -8.303  -0.088
  543   2HG   ARG  71          2HG       ARG  71  14.557  -8.429  -0.104
  544   1HD   ARG  71          1HD       ARG  71  12.707  -7.783  -2.415
  545   2HD   ARG  71          2HD       ARG  71  13.937  -6.755  -1.668
  546    HE   ARG  71           HE       ARG  71  14.976  -9.224  -2.855
  547   1HH1  ARG  71          2HH2      ARG  71  14.144  -5.820  -3.674
  548   2HH1  ARG  71          1HH2      ARG  71  14.949  -5.913  -5.207
  549   1HH2  ARG  71          2HH1      ARG  71  15.975  -9.260  -4.793
  550   2HH2  ARG  71          1HH1      ARG  71  15.944  -7.921  -5.899
  551    H    LYS  72           H        LYS  72  10.492 -12.190  -1.193
  552    HA   LYS  72           HA       LYS  72  12.009 -14.674  -0.940
  553   1HB   LYS  72          1HB       LYS  72   9.077 -13.912  -0.497
  554   2HB   LYS  72          2HB       LYS  72   9.641 -15.563  -0.445
  555   1HG   LYS  72          1HG       LYS  72   9.479 -14.890   1.777
  556   2HG   LYS  72          2HG       LYS  72  11.187 -15.035   1.414
  557   1HD   LYS  72          1HD       LYS  72  11.579 -12.921   2.108
  558   2HD   LYS  72          2HD       LYS  72  10.371 -12.283   1.015
  559   1HE   LYS  72          1HE       LYS  72   9.676 -11.547   3.116
  560   2HE   LYS  72          2HE       LYS  72   8.576 -12.850   2.697
  561   1HZ   LYS  72          1HZ       LYS  72  10.890 -13.115   4.540
  562   2HZ   LYS  72          2HZ       LYS  72   9.375 -12.839   5.013
  563   3HZ   LYS  72          3HZ       LYS  72   9.722 -14.261   4.266
  564    H    VAL  73           H        VAL  73  10.696 -13.099  -3.727
  565    HA   VAL  73           HA       VAL  73  10.587 -15.701  -5.097
  566    HB   VAL  73           HB       VAL  73   8.565 -13.439  -5.424
  567   1HG1  VAL  73          3HG1      VAL  73   8.764 -16.128  -6.862
  568   2HG1  VAL  73          1HG1      VAL  73   7.440 -14.958  -7.032
  569   3HG1  VAL  73          2HG1      VAL  73   9.057 -14.530  -7.587
  570   1HG2  VAL  73          2HG2      VAL  73   8.191 -16.249  -4.304
  571   2HG2  VAL  73          3HG2      VAL  73   7.993 -14.719  -3.425
  572   3HG2  VAL  73          1HG2      VAL  73   6.871 -15.136  -4.718
  573    H    ALA  74           H        ALA  74  11.556 -15.503  -7.193
  574    HA   ALA  74           HA       ALA  74  13.440 -13.295  -7.383
  575   1HB   ALA  74          3HB       ALA  74  14.164 -15.618  -7.832
  576   2HB   ALA  74          1HB       ALA  74  12.993 -15.724  -9.172
  577   3HB   ALA  74          2HB       ALA  74  14.357 -14.596  -9.271
  578    H    GLY  75           H        GLY  75  13.324 -11.555  -8.764
  579   1HA   GLY  75          1HA       GLY  75  11.246 -11.484 -10.862
  580   2HA   GLY  75          2HA       GLY  75  11.630 -10.104  -9.814
  581    H    ARG  76           H        ARG  76  12.492  -8.686 -11.102
  582    HA   ARG  76           HA       ARG  76  14.443  -9.478 -13.196
  583   1HB   ARG  76          1HB       ARG  76  13.435  -6.662 -12.551
  584   2HB   ARG  76          2HB       ARG  76  14.248  -7.233 -14.003
  585   1HG   ARG  76          1HG       ARG  76  11.429  -7.682 -13.094
  586   2HG   ARG  76          2HG       ARG  76  11.980  -6.905 -14.575
  587   1HD   ARG  76          1HD       ARG  76  12.646  -9.106 -15.466
  588   2HD   ARG  76          2HD       ARG  76  12.169  -9.894 -13.961
  589    HE   ARG  76           HE       ARG  76  10.506  -9.178 -16.139
  590   1HH1  ARG  76          2HH2      ARG  76  10.035  -8.832 -12.584
  591   2HH1  ARG  76          1HH2      ARG  76   8.660  -9.842 -12.558
  592   1HH2  ARG  76          2HH1      ARG  76   8.429 -10.109 -16.101
  593   2HH2  ARG  76          1HH1      ARG  76   7.579 -10.363 -14.632
  594    H    ASN  77           H        ASN  77  14.101  -7.208 -10.380
  595    HA   ASN  77           HA       ASN  77  17.015  -6.765 -10.499
  596   1HB   ASN  77          1HB       ASN  77  16.698  -5.155  -8.791
  597   2HB   ASN  77          2HB       ASN  77  15.397  -4.918  -9.936
  598   1HD2  ASN  77          2HD2      ASN  77  12.959  -6.235  -7.414
  599   2HD2  ASN  77          1HD2      ASN  77  13.170  -6.444  -9.094
  600    H    GLY  78           H        GLY  78  17.982  -8.763  -9.995
  601   1HA   GLY  78          1HA       GLY  78  18.816 -10.407  -8.591
  602   2HA   GLY  78          2HA       GLY  78  18.463  -9.324  -7.230
  603    HA   PRO  79           HA       PRO  79  15.443 -12.857  -6.953
  604   1HB   PRO  79          1HB       PRO  79  15.976 -13.653  -4.377
  605   2HB   PRO  79          2HB       PRO  79  16.899 -14.259  -5.785
  606   1HG   PRO  79          1HG       PRO  79  17.665 -12.037  -3.872
  607   2HG   PRO  79          2HG       PRO  79  18.683 -13.374  -4.484
  608   1HD   PRO  79          1HD       PRO  79  18.711 -10.841  -5.564
  609   2HD   PRO  79          2HD       PRO  79  19.008 -12.305  -6.550
  610    H    GLY  80           H        GLY  80  14.073 -10.972  -7.175
  611   1HA   GLY  80          1HA       GLY  80  12.375 -10.655  -4.952
  612   2HA   GLY  80          2HA       GLY  80  13.315  -9.172  -5.172
  613    H    THR  81           H        THR  81  10.394 -10.492  -6.012
  614    HA   THR  81           HA       THR  81  10.396  -8.864  -8.531
  615    HB   THR  81           HB       THR  81  10.046 -11.395  -8.805
  616    HG1  THR  81           HG1      THR  81   9.464  -9.531 -10.189
  617   1HG2  THR  81          3HG2      THR  81   8.455 -11.729  -6.944
  618   2HG2  THR  81          1HG2      THR  81   7.237 -10.809  -7.856
  619   3HG2  THR  81          2HG2      THR  81   7.887 -12.326  -8.514
  620    H    GLY  82           H        GLY  82   8.140  -8.002  -9.105
  621   1HA   GLY  82          1HA       GLY  82   6.245  -7.556  -7.032
  622   2HA   GLY  82          2HA       GLY  82   7.381  -6.197  -7.150
  623    H    PHE  83           H        PHE  83   5.196  -5.226  -7.599
  624    HA   PHE  83           HA       PHE  83   4.497  -5.186 -10.468
  625   1HB   PHE  83          1HB       PHE  83   2.662  -5.490  -8.037
  626   2HB   PHE  83          2HB       PHE  83   2.086  -4.882  -9.569
  627    HD1  PHE  83           HD1      PHE  83   3.793  -7.932  -8.119
  628    HD2  PHE  83           HD2      PHE  83   1.097  -6.327 -11.076
  629    HE1  PHE  83           HE1      PHE  83   3.310 -10.221  -8.935
  630    HE2  PHE  83           HE2      PHE  83   0.633  -8.613 -11.892
  631    HZ   PHE  83           HZ       PHE  83   1.752 -10.564 -10.835
  632    H    LEU  84           H        LEU  84   3.667  -3.197 -11.117
  633    HA   LEU  84           HA       LEU  84   4.046  -0.850  -9.299
  634   1HB   LEU  84          1HB       LEU  84   5.513  -0.741 -11.258
  635   2HB   LEU  84          2HB       LEU  84   4.154  -1.044 -12.349
  636    HG   LEU  84           HG       LEU  84   3.896   1.299 -10.471
  637   1HD1  LEU  84          2HD1      LEU  84   5.721   1.360 -12.907
  638   2HD1  LEU  84          3HD1      LEU  84   5.209   2.766 -11.948
  639   3HD1  LEU  84          1HD1      LEU  84   6.225   1.524 -11.208
  640   1HD2  LEU  84          1HD2      LEU  84   3.260   0.924 -13.440
  641   2HD2  LEU  84          2HD2      LEU  84   2.087   0.804 -12.126
  642   3HD2  LEU  84          3HD2      LEU  84   2.859   2.354 -12.471
  643    H    ILE  85           H        ILE  85   2.040   0.143  -8.776
  644    HA   ILE  85           HA       ILE  85  -0.296  -0.635 -10.403
  645    HB   ILE  85           HB       ILE  85  -0.229  -0.698  -7.342
  646   1HG1  ILE  85          1HG1      ILE  85   0.322  -3.009  -9.253
  647   2HG1  ILE  85          2HG1      ILE  85   1.377  -2.393  -7.993
  648   1HG2  ILE  85          3HG2      ILE  85  -2.170  -1.774  -9.402
  649   2HG2  ILE  85          1HG2      ILE  85  -2.282  -2.081  -7.665
  650   3HG2  ILE  85          2HG2      ILE  85  -2.439  -0.454  -8.265
  651   1HD1  ILE  85          1HD1      ILE  85  -0.267  -3.113  -6.276
  652   2HD1  ILE  85          2HD1      ILE  85  -1.157  -3.952  -7.577
  653   3HD1  ILE  85          3HD1      ILE  85   0.502  -4.420  -7.213
  654    H    ARG  86           H        ARG  86  -2.143   0.799  -9.944
  655    HA   ARG  86           HA       ARG  86  -1.476   3.477  -8.774
  656   1HB   ARG  86          1HB       ARG  86  -3.178   2.860 -11.224
  657   2HB   ARG  86          2HB       ARG  86  -2.944   4.465 -10.531
  658   1HG   ARG  86          1HG       ARG  86  -0.711   4.630 -11.303
  659   2HG   ARG  86          2HG       ARG  86  -0.539   2.886 -11.497
  660   1HD   ARG  86          1HD       ARG  86  -2.464   3.115 -13.278
  661   2HD   ARG  86          2HD       ARG  86  -2.029   4.826 -13.271
  662    HE   ARG  86           HE       ARG  86  -0.135   4.312 -14.451
  663   1HH1  ARG  86          2HH2      ARG  86  -1.250   1.206 -12.940
  664   2HH1  ARG  86          1HH2      ARG  86  -0.189   0.268 -13.923
  665   1HH2  ARG  86          2HH1      ARG  86   1.319   2.918 -15.672
  666   2HH2  ARG  86          1HH1      ARG  86   1.275   1.217 -15.349
  667    H    GLY  87           H        GLY  87  -3.246   4.409  -7.577
  668   1HA   GLY  87          1HA       GLY  87  -5.877   3.232  -7.668
  669   2HA   GLY  87          2HA       GLY  87  -4.969   2.853  -6.189
  670    H    SER  88           H        SER  88  -7.055   4.115  -5.577
  671    HA   SER  88           HA       SER  88  -6.365   6.983  -5.146
  672   1HB   SER  88          1HB       SER  88  -9.077   5.623  -5.372
  673   2HB   SER  88          2HB       SER  88  -8.820   7.313  -4.923
  674    HG   SER  88           HG       SER  88  -8.450   7.810  -6.914
  675    H    ALA  89           H        ALA  89  -6.128   7.541  -3.035
  676    HA   ALA  89           HA       ALA  89  -6.322   5.436  -0.980
  677   1HB   ALA  89          3HB       ALA  89  -4.874   8.108  -1.158
  678   2HB   ALA  89          1HB       ALA  89  -4.891   7.104   0.289
  679   3HB   ALA  89          2HB       ALA  89  -4.159   6.471  -1.196
  680    H    ALA  90           H        ALA  90  -7.113   5.925   1.124
  681    HA   ALA  90           HA       ALA  90  -8.414   8.487   1.696
  682   1HB   ALA  90          3HB       ALA  90  -9.998   5.866   1.622
  683   2HB   ALA  90          1HB       ALA  90 -10.578   7.400   2.309
  684   3HB   ALA  90          2HB       ALA  90 -10.252   7.279   0.569
  685    H    PHE  91           H        PHE  91  -7.805   8.923   3.808
  686    HA   PHE  91           HA       PHE  91  -6.802   6.755   5.527
  687   1HB   PHE  91          1HB       PHE  91  -7.055   9.760   5.835
  688   2HB   PHE  91          2HB       PHE  91  -6.781   8.721   7.217
  689    HD1  PHE  91           HD1      PHE  91  -5.142   8.192   3.834
  690    HD2  PHE  91           HD2      PHE  91  -4.696   9.548   7.925
  691    HE1  PHE  91           HE1      PHE  91  -2.669   8.262   3.582
  692    HE2  PHE  91           HE2      PHE  91  -2.267   9.534   7.640
  693    HZ   PHE  91           HZ       PHE  91  -1.249   8.936   5.475
  694    H    ARG  92           H        ARG  92  -7.867   5.921   7.275
  695    HA   ARG  92           HA       ARG  92 -10.443   7.091   8.139
  696   1HB   ARG  92          1HB       ARG  92  -9.943   4.243   7.225
  697   2HB   ARG  92          2HB       ARG  92 -11.155   4.564   8.456
  698   1HG   ARG  92          1HG       ARG  92 -11.196   5.992   5.772
  699   2HG   ARG  92          2HG       ARG  92 -11.989   4.437   6.044
  700   1HD   ARG  92          1HD       ARG  92 -13.482   5.287   7.652
  701   2HD   ARG  92          2HD       ARG  92 -12.537   6.745   7.937
  702    HE   ARG  92           HE       ARG  92 -13.084   7.232   5.467
  703   1HH1  ARG  92          2HH2      ARG  92 -15.442   5.928   7.933
  704   2HH1  ARG  92          1HH2      ARG  92 -16.733   6.803   7.312
  705   1HH2  ARG  92          2HH1      ARG  92 -14.904   8.375   4.666
  706   2HH2  ARG  92          1HH1      ARG  92 -16.455   8.202   5.406
  707    H    THR  93           H        THR  93 -10.709   7.138  10.277
  708    HA   THR  93           HA       THR  93  -9.031   5.530  12.113
  709    HB   THR  93           HB       THR  93  -9.433   7.499  13.655
  710    HG1  THR  93           HG1      THR  93 -11.102   8.507  12.719
  711   1HG2  THR  93          2HG2      THR  93  -7.280   7.263  12.443
  712   2HG2  THR  93          3HG2      THR  93  -7.933   8.214  11.088
  713   3HG2  THR  93          1HG2      THR  93  -7.725   8.958  12.682
  714    H    ASP  94           H        ASP  94 -11.162   4.466  10.763
  715    HA   ASP  94           HA       ASP  94 -13.368   4.091  12.595
  716   1HB   ASP  94          1HB       ASP  94 -14.041   6.159  11.515
  717   2HB   ASP  94          2HB       ASP  94 -13.461   5.613   9.947
  718    H    GLY  95           H        GLY  95 -14.764   2.463  11.745
  719   1HA   GLY  95          1HA       GLY  95 -15.448   0.694  10.531
  720   2HA   GLY  95          2HA       GLY  95 -14.208   1.059   9.325
  721    HA   PRO  96           HA       PRO  96 -13.081  -2.957  11.478
  722   1HB   PRO  96          1HB       PRO  96 -13.286  -4.611   9.296
  723   2HB   PRO  96          2HB       PRO  96 -14.656  -4.251  10.390
  724   1HG   PRO  96          1HG       PRO  96 -14.001  -2.944   7.733
  725   2HG   PRO  96          2HG       PRO  96 -15.580  -3.576   8.296
  726   1HD   PRO  96          1HD       PRO  96 -14.938  -0.936   8.456
  727   2HD   PRO  96          2HD       PRO  96 -15.906  -1.730   9.734
  728    H    GLU  97           H        GLU  97 -12.132  -0.814   9.035
  729    HA   GLU  97           HA       GLU  97  -9.620  -2.011   8.221
  730   1HB   GLU  97          1HB       GLU  97 -10.646   0.865   8.020
  731   2HB   GLU  97          2HB       GLU  97  -9.235   0.185   7.207
  732   1HG   GLU  97          1HG       GLU  97 -12.161  -0.351   6.710
  733   2HG   GLU  97          2HG       GLU  97 -10.916   0.103   5.542
  734    H    PHE  98           H        PHE  98 -10.510   0.832  10.301
  735    HA   PHE  98           HA       PHE  98  -7.896   1.071  11.375
  736   1HB   PHE  98          1HB       PHE  98  -9.662   2.826  11.328
  737   2HB   PHE  98          2HB       PHE  98 -10.506   1.966  12.617
  738    HD1  PHE  98           HD1      PHE  98  -7.274   3.635  11.707
  739    HD2  PHE  98           HD2      PHE  98  -9.805   2.248  14.921
  740    HE1  PHE  98           HE1      PHE  98  -5.865   4.860  13.355
  741    HE2  PHE  98           HE2      PHE  98  -8.406   3.460  16.543
  742    HZ   PHE  98           HZ       PHE  98  -6.433   4.784  15.771
  743    H    GLU  99           H        GLU  99 -10.752  -0.813  12.505
  744    HA   GLU  99           HA       GLU  99  -9.464  -1.690  14.872
  745   1HB   GLU  99          1HB       GLU  99 -11.810  -2.818  13.312
  746   2HB   GLU  99          2HB       GLU  99 -11.262  -3.479  14.855
  747   1HG   GLU  99          1HG       GLU  99 -12.233  -0.627  14.370
  748   2HG   GLU  99          2HG       GLU  99 -13.094  -1.900  15.232
  749    H    ALA 100           H        ALA 100  -9.656  -3.334  11.656
  750    HA   ALA 100           HA       ALA 100  -8.152  -5.603  12.587
  751   1HB   ALA 100          2HB       ALA 100  -8.486  -4.410   9.856
  752   2HB   ALA 100          3HB       ALA 100  -7.690  -5.985  10.160
  753   3HB   ALA 100          1HB       ALA 100  -9.415  -5.759  10.550
  754    H    ILE 101           H        ILE 101  -7.102  -2.319  11.646
  755    HA   ILE 101           HA       ILE 101  -4.302  -3.257  11.879
  756    HB   ILE 101           HB       ILE 101  -3.461  -1.297  11.095
  757   1HG1  ILE 101          1HG1      ILE 101  -5.026   0.507  10.168
  758   2HG1  ILE 101          2HG1      ILE 101  -6.177  -0.114  11.373
  759   1HG2  ILE 101          3HG2      ILE 101  -4.351  -2.950   9.479
  760   2HG2  ILE 101          1HG2      ILE 101  -5.845  -1.988   9.356
  761   3HG2  ILE 101          2HG2      ILE 101  -4.297  -1.300   8.840
  762   1HD1  ILE 101          1HD1      ILE 101  -3.392   0.925  11.974
  763   2HD1  ILE 101          2HD1      ILE 101  -4.872   1.899  12.090
  764   3HD1  ILE 101          3HD1      ILE 101  -4.649   0.523  13.174
  765    H    ALA 102           H        ALA 102  -6.713  -1.921  13.967
  766    HA   ALA 102           HA       ALA 102  -5.290  -0.780  15.986
  767   1HB   ALA 102          3HB       ALA 102  -7.756  -0.941  15.990
  768   2HB   ALA 102          1HB       ALA 102  -7.623  -2.654  16.490
  769   3HB   ALA 102          2HB       ALA 102  -7.019  -1.372  17.529
  770    H    ARG 103           H        ARG 103  -5.187  -4.073  15.003
  771    HA   ARG 103           HA       ARG 103  -4.064  -5.365  17.249
  772   1HB   ARG 103          1HB       ARG 103  -3.188  -6.993  15.754
  773   2HB   ARG 103          2HB       ARG 103  -4.725  -6.458  15.088
  774   1HG   ARG 103          1HG       ARG 103  -3.392  -4.988  13.457
  775   2HG   ARG 103          2HG       ARG 103  -1.926  -5.765  14.084
  776   1HD   ARG 103          1HD       ARG 103  -3.028  -8.006  13.529
  777   2HD   ARG 103          2HD       ARG 103  -4.267  -7.115  12.662
  778    HE   ARG 103           HE       ARG 103  -1.422  -7.504  11.960
  779   1HH1  ARG 103          2HH2      ARG 103  -4.404  -5.847  10.999
  780   2HH1  ARG 103          1HH2      ARG 103  -4.002  -5.836   9.307
  781   1HH2  ARG 103          2HH1      ARG 103  -0.944  -7.583   9.675
  782   2HH2  ARG 103          1HH1      ARG 103  -2.027  -6.906   8.531
  783    H    PHE 104           H        PHE 104  -2.557  -3.008  15.045
  784    HA   PHE 104           HA       PHE 104   0.130  -3.307  16.282
  785   1HB   PHE 104          1HB       PHE 104  -0.960  -1.075  14.496
  786   2HB   PHE 104          2HB       PHE 104   0.724  -1.496  14.760
  787    HD1  PHE 104           HD2      PHE 104   1.118  -4.224  14.174
  788    HD2  PHE 104           HD1      PHE 104  -1.671  -1.505  12.342
  789    HE1  PHE 104           HE2      PHE 104   1.050  -5.663  12.156
  790    HE2  PHE 104           HE1      PHE 104  -1.789  -2.988  10.338
  791    HZ   PHE 104           HZ       PHE 104  -0.445  -5.036  10.250
  792    H    LYS 105           H        LYS 105   0.942  -0.902  17.423
  793    HA   LYS 105           HA       LYS 105  -1.523   0.587  18.165
  794   1HB   LYS 105          1HB       LYS 105  -0.818  -1.286  19.780
  795   2HB   LYS 105          2HB       LYS 105   0.642  -0.364  20.061
  796   1HG   LYS 105          1HG       LYS 105  -0.337   1.055  21.377
  797   2HG   LYS 105          2HG       LYS 105  -1.649   1.424  20.263
  798   1HD   LYS 105          1HD       LYS 105  -1.646  -0.637  22.437
  799   2HD   LYS 105          2HD       LYS 105  -2.811   0.626  22.100
  800   1HE   LYS 105          1HE       LYS 105  -2.501  -2.092  20.782
  801   2HE   LYS 105          2HE       LYS 105  -3.891  -1.442  21.638
  802   1HZ   LYS 105          1HZ       LYS 105  -4.256   0.038  19.703
  803   2HZ   LYS 105          2HZ       LYS 105  -2.982  -0.698  18.914
  804   3HZ   LYS 105          3HZ       LYS 105  -4.259  -1.550  19.264
  805    H    TRP 106           H        TRP 106   1.360   0.799  16.611
  806    HA   TRP 106           HA       TRP 106   2.005   3.529  17.485
  807   1HB   TRP 106          1HB       TRP 106   3.755   3.129  15.642
  808   2HB   TRP 106          2HB       TRP 106   3.882   2.192  17.113
  809    HD1  TRP 106           HD1      TRP 106   4.128  -0.310  16.882
  810    HE1  TRP 106           HE1      TRP 106   4.050  -2.029  14.981
  811    HE3  TRP 106           HE3      TRP 106   2.326   2.678  13.151
  812    HZ2  TRP 106           HZ2      TRP 106   3.269  -2.117  12.158
  813    HZ3  TRP 106           HZ3      TRP 106   1.993   1.778  10.871
  814    HH2  TRP 106           HH2      TRP 106   2.590  -0.583  10.365
  815    H    ALA 107           H        ALA 107  -0.558   2.407  15.881
  816    HA   ALA 107           HA       ALA 107  -0.340   3.663  13.292
  817   1HB   ALA 107          2HB       ALA 107  -1.623   1.586  13.636
  818   2HB   ALA 107          3HB       ALA 107  -2.726   2.443  14.748
  819   3HB   ALA 107          1HB       ALA 107  -2.655   2.901  13.037
  820    H    ARG 108           H        ARG 108  -1.577   5.316  12.506
  821    HA   ARG 108           HA       ARG 108  -2.728   7.356  14.341
  822   1HB   ARG 108          1HB       ARG 108  -0.446   7.667  12.856
  823   2HB   ARG 108          2HB       ARG 108  -1.576   7.788  11.554
  824   1HG   ARG 108          1HG       ARG 108  -1.382   9.965  11.924
  825   2HG   ARG 108          2HG       ARG 108  -2.644   9.716  13.129
  826   1HD   ARG 108          1HD       ARG 108   0.393   9.754  13.603
  827   2HD   ARG 108          2HD       ARG 108  -0.717  11.079  13.940
  828    HE   ARG 108           HE       ARG 108  -1.640   9.963  15.724
  829   1HH1  ARG 108          2HH2      ARG 108   1.103   8.005  14.448
  830   2HH1  ARG 108          1HH2      ARG 108   0.887   6.725  15.555
  831   1HH2  ARG 108          2HH1      ARG 108  -1.902   8.239  17.207
  832   2HH2  ARG 108          1HH1      ARG 108  -1.055   6.762  16.943
  833    H    ALA 109           H        ALA 109  -3.030   5.432  11.454
  834    HA   ALA 109           HA       ALA 109  -5.875   5.834  11.099
  835   1HB   ALA 109          1HB       ALA 109  -3.942   7.609   9.681
  836   2HB   ALA 109          2HB       ALA 109  -4.978   6.707   8.578
  837   3HB   ALA 109          3HB       ALA 109  -5.684   7.741   9.833
  838    H    ALA 110           H        ALA 110  -6.635   4.705   9.202
  839    HA   ALA 110           HA       ALA 110  -4.998   2.410   8.271
  840   1HB   ALA 110          1HB       ALA 110  -8.038   2.826   8.403
  841   2HB   ALA 110          2HB       ALA 110  -7.216   1.426   7.704
  842   3HB   ALA 110          3HB       ALA 110  -7.087   1.741   9.440
  843    H    LEU 111           H        LEU 111  -4.036   3.132   6.468
  844    HA   LEU 111           HA       LEU 111  -5.211   5.107   4.618
  845   1HB   LEU 111          1HB       LEU 111  -2.908   5.361   5.066
  846   2HB   LEU 111          2HB       LEU 111  -2.556   3.658   4.888
  847    HG   LEU 111           HG       LEU 111  -2.722   3.751   2.514
  848   1HD1  LEU 111          2HD1      LEU 111  -3.850   6.555   2.750
  849   2HD1  LEU 111          3HD1      LEU 111  -3.246   5.825   1.253
  850   3HD1  LEU 111          1HD1      LEU 111  -4.648   5.130   2.066
  851   1HD2  LEU 111          3HD2      LEU 111  -0.638   4.599   3.497
  852   2HD2  LEU 111          1HD2      LEU 111  -0.988   5.390   1.953
  853   3HD2  LEU 111          2HD2      LEU 111  -1.283   6.252   3.474
  854    H    VAL 112           H        VAL 112  -6.976   4.164   3.746
  855    HA   VAL 112           HA       VAL 112  -6.968   1.412   2.749
  856    HB   VAL 112           HB       VAL 112  -9.041   3.665   2.600
  857   1HG1  VAL 112          2HG1      VAL 112  -9.399   1.905   0.911
  858   2HG1  VAL 112          3HG1      VAL 112  -9.428   0.683   2.207
  859   3HG1  VAL 112          1HG1      VAL 112 -10.674   1.949   2.136
  860   1HG2  VAL 112          2HG2      VAL 112  -8.854   1.381   4.615
  861   2HG2  VAL 112          3HG2      VAL 112  -8.674   3.114   4.962
  862   3HG2  VAL 112          1HG2      VAL 112 -10.231   2.490   4.438
  863    H    ILE 113           H        ILE 113  -6.373   0.964   0.589
  864    HA   ILE 113           HA       ILE 113  -6.354   3.263  -1.292
  865    HB   ILE 113           HB       ILE 113  -4.373   0.951  -1.153
  866   1HG1  ILE 113          1HG1      ILE 113  -3.932   3.940  -0.667
  867   2HG1  ILE 113          2HG1      ILE 113  -4.025   2.720   0.600
  868   1HG2  ILE 113          2HG2      ILE 113  -4.859   1.612  -3.492
  869   2HG2  ILE 113          3HG2      ILE 113  -4.543   3.314  -3.090
  870   3HG2  ILE 113          1HG2      ILE 113  -3.238   2.108  -3.049
  871   1HD1  ILE 113          3HD1      ILE 113  -2.046   1.556  -0.361
  872   2HD1  ILE 113          1HD1      ILE 113  -1.848   2.914  -1.498
  873   3HD1  ILE 113          2HD1      ILE 113  -1.729   3.191   0.244
  874    H    THR 114           H        THR 114  -7.574   2.935  -3.054
  875    HA   THR 114           HA       THR 114  -8.739   0.242  -3.608
  876    HB   THR 114           HB       THR 114  -9.599   2.993  -4.616
  877    HG1  THR 114           HG1      THR 114 -10.001   2.999  -2.525
  878   1HG2  THR 114          2HG2      THR 114 -10.977   0.266  -4.684
  879   2HG2  THR 114          3HG2      THR 114 -11.673   1.813  -5.257
  880   3HG2  THR 114          1HG2      THR 114 -10.272   1.116  -6.067
  881    H    VAL 115           H        VAL 115  -7.306  -0.773  -4.989
  882    HA   VAL 115           HA       VAL 115  -5.534   0.639  -6.820
  883    HB   VAL 115           HB       VAL 115  -6.153  -2.234  -6.069
  884   1HG1  VAL 115          3HG1      VAL 115  -4.551  -1.423  -8.497
  885   2HG1  VAL 115          1HG1      VAL 115  -4.476  -3.012  -7.690
  886   3HG1  VAL 115          2HG1      VAL 115  -5.981  -2.462  -8.438
  887   1HG2  VAL 115          2HG2      VAL 115  -4.615  -0.968  -4.667
  888   2HG2  VAL 115          3HG2      VAL 115  -3.771  -2.258  -5.524
  889   3HG2  VAL 115          1HG2      VAL 115  -3.616  -0.572  -6.077
  890    H    VAL 116           H        VAL 116  -5.660   0.323  -9.152
  891    HA   VAL 116           HA       VAL 116  -8.380  -0.133 -10.221
  892    HB   VAL 116           HB       VAL 116  -6.521   2.159 -10.981
  893   1HG1  VAL 116          2HG1      VAL 116  -7.774   1.266 -12.927
  894   2HG1  VAL 116          3HG1      VAL 116  -9.295   1.422 -12.026
  895   3HG1  VAL 116          1HG1      VAL 116  -8.364   2.869 -12.471
  896   1HG2  VAL 116          3HG2      VAL 116  -9.239   2.208  -9.587
  897   2HG2  VAL 116          1HG2      VAL 116  -7.692   2.663  -8.860
  898   3HG2  VAL 116          2HG2      VAL 116  -8.356   3.636 -10.170
  899    H    SER 117           H        SER 117  -4.871   0.396 -11.028
  900    HA   SER 117           HA       SER 117  -5.033  -2.052 -12.662
  901   1HB   SER 117          1HB       SER 117  -3.850   0.570 -13.671
  902   2HB   SER 117          2HB       SER 117  -3.967  -0.955 -14.565
  903    HG   SER 117           HG       SER 117  -5.658   0.406 -15.162
  904    H    ALA 118           H        ALA 118  -3.411  -3.359 -12.335
  905    HA   ALA 118           HA       ALA 118  -0.784  -2.479 -11.306
  906   1HB   ALA 118          2HB       ALA 118  -2.171  -3.924  -9.696
  907   2HB   ALA 118          3HB       ALA 118  -2.245  -5.152 -10.969
  908   3HB   ALA 118          1HB       ALA 118  -0.690  -4.728 -10.261
  909    H    GLU 119           H        GLU 119   0.991  -3.362 -12.302
  910    HA   GLU 119           HA       GLU 119   0.719  -5.555 -14.271
  911   1HB   GLU 119          1HB       GLU 119   2.243  -4.465 -15.759
  912   2HB   GLU 119          2HB       GLU 119   0.689  -3.653 -15.644
  913   1HG   GLU 119          1HG       GLU 119   2.761  -2.645 -13.755
  914   2HG   GLU 119          2HG       GLU 119   3.148  -2.509 -15.465
  915    H    GLN 120           H        GLN 120   2.670  -6.933 -14.335
  916    HA   GLN 120           HA       GLN 120   4.243  -6.806 -11.850
  917   1HB   GLN 120          1HB       GLN 120   3.533  -9.019 -12.954
  918   2HB   GLN 120          2HB       GLN 120   4.704  -8.638 -14.227
  919   1HG   GLN 120          1HG       GLN 120   6.428  -8.367 -12.267
  920   2HG   GLN 120          2HG       GLN 120   5.201  -9.124 -11.254
  921   1HE2  GLN 120          2HE2      GLN 120   7.176 -12.008 -12.115
  922   2HE2  GLN 120          1HE2      GLN 120   7.144 -10.711 -10.941
  923    H    THR 121           H        THR 121   6.415  -6.066 -11.793
  924    HA   THR 121           HA       THR 121   7.547  -5.041 -14.337
  925    HB   THR 121           HB       THR 121   8.107  -2.932 -13.118
  926    HG1  THR 121           HG1      THR 121   6.559  -2.509 -11.356
  927   1HG2  THR 121          3HG2      THR 121   6.183  -3.129 -14.735
  928   2HG2  THR 121          1HG2      THR 121   5.106  -3.361 -13.346
  929   3HG2  THR 121          2HG2      THR 121   6.021  -1.847 -13.535
  930    H    LEU 122           H        LEU 122   8.496  -4.770 -10.961
  931    HA   LEU 122           HA       LEU 122  11.250  -5.177 -11.616
  932   1HB   LEU 122          1HB       LEU 122  11.698  -4.616  -9.327
  933   2HB   LEU 122          2HB       LEU 122  10.478  -3.559  -9.983
  934    HG   LEU 122           HG       LEU 122   8.923  -5.568  -8.859
  935   1HD1  LEU 122          3HD1      LEU 122  10.883  -6.594  -7.753
  936   2HD1  LEU 122          1HD1      LEU 122  11.242  -5.041  -6.952
  937   3HD1  LEU 122          2HD1      LEU 122   9.752  -5.925  -6.565
  938   1HD2  LEU 122          3HD2      LEU 122   8.481  -3.181  -8.694
  939   2HD2  LEU 122          1HD2      LEU 122   8.384  -3.941  -7.104
  940   3HD2  LEU 122          2HD2      LEU 122   9.820  -2.985  -7.540
  941    HN3  FMN 123           HN3      FMN 123   2.640   2.528   8.626
  942    H6   FMN 123           H6       FMN 123   8.109  -0.811   5.853
  943   1HM7  FMN 123          1HM7      FMN 123  11.102  -0.076   3.960
  944   2HM7  FMN 123          2HM7      FMN 123  11.355  -1.079   5.399
  945   3HM7  FMN 123          3HM7      FMN 123   9.908  -1.300   4.369
  946   1HM8  FMN 123          1HM8      FMN 123  11.800   2.194   4.369
  947   2HM8  FMN 123          2HM8      FMN 123  12.154   2.994   5.905
  948   3HM8  FMN 123          3HM8      FMN 123  12.534   1.277   5.711
  949    H9   FMN 123           H9       FMN 123  10.175   3.578   6.917
  950   1H1*  FMN 123          1H1*      FMN 123   7.979   4.695   9.491
  951   2H1*  FMN 123          2H1*      FMN 123   9.346   4.543   8.459
  952    H2*  FMN 123           H2*      FMN 123   8.274   6.694   8.231
  953   *HO2  FMN 123          *HO2      FMN 123   6.230   6.806   8.330
  954    H3*  FMN 123           H3*      FMN 123   8.021   5.001   5.732
  955   *HO3  FMN 123          *HO3      FMN 123   9.833   6.590   5.361
  956    H4*  FMN 123           H4*      FMN 123   6.614   6.827   5.249
  957   *HO4  FMN 123          *HO4      FMN 123   8.048   8.160   3.891
  958   1H5*  FMN 123          1H5*      FMN 123   7.233   8.434   7.128
  959   2H5*  FMN 123          2H5*      FMN 123   8.611   8.952   6.132
   
  No H/Q in entry =         959
  Start of MODEL    9
    1   1H    MET   1          2H        MET   1  -9.227  -8.706 -11.666
    2   2H    MET   1          3H        MET   1 -10.305  -8.205 -12.830
    3   3H    MET   1          1H        MET   1  -8.888  -8.969 -13.241
    4    HA   MET   1           HA       MET   1  -8.575  -6.719 -13.719
    5   1HB   MET   1          1HB       MET   1  -9.557  -6.277 -10.870
    6   2HB   MET   1          2HB       MET   1  -8.599  -5.083 -11.760
    7   1HG   MET   1          1HG       MET   1 -10.960  -4.567 -11.934
    8   2HG   MET   1          2HG       MET   1 -10.278  -4.943 -13.515
    9   1HE   MET   1          2HE       MET   1 -12.810  -5.013 -14.401
   10   2HE   MET   1          3HE       MET   1 -14.058  -6.083 -13.721
   11   3HE   MET   1          1HE       MET   1 -13.423  -4.735 -12.753
   12    H    LEU   2           H        LEU   2  -7.600  -7.151 -10.240
   13    HA   LEU   2           HA       LEU   2  -4.834  -6.822 -10.977
   14   1HB   LEU   2          1HB       LEU   2  -6.236  -7.816  -8.444
   15   2HB   LEU   2          2HB       LEU   2  -4.501  -7.644  -8.598
   16    HG   LEU   2           HG       LEU   2  -4.759  -5.190  -8.993
   17   1HD1  LEU   2          1HD1      LEU   2  -7.698  -5.757  -8.427
   18   2HD1  LEU   2          2HD1      LEU   2  -6.962  -4.164  -8.215
   19   3HD1  LEU   2          3HD1      LEU   2  -6.990  -4.871  -9.813
   20   1HD2  LEU   2          1HD2      LEU   2  -5.943  -6.340  -6.423
   21   2HD2  LEU   2          2HD2      LEU   2  -4.230  -6.050  -6.777
   22   3HD2  LEU   2          3HD2      LEU   2  -5.329  -4.687  -6.602
   23    HA   PRO   3           HA       PRO   3  -4.197 -11.107 -12.082
   24   1HB   PRO   3          1HB       PRO   3  -1.520 -11.484 -11.498
   25   2HB   PRO   3          2HB       PRO   3  -2.098 -10.477 -12.845
   26   1HG   PRO   3          1HG       PRO   3  -1.190  -9.581 -10.116
   27   2HG   PRO   3          2HG       PRO   3  -0.809  -8.868 -11.719
   28   1HD   PRO   3          1HD       PRO   3  -2.744  -7.859 -10.073
   29   2HD   PRO   3          2HD       PRO   3  -2.863  -7.794 -11.856
   30    H    GLY   4           H        GLY   4  -3.618 -13.291 -11.214
   31   1HA   GLY   4          1HA       GLY   4  -4.396 -13.719  -8.483
   32   2HA   GLY   4          2HA       GLY   4  -3.639 -14.911  -9.558
   33    H    THR   5           H        THR   5  -1.195 -13.548 -10.165
   34    HA   THR   5           HA       THR   5   0.483 -14.236  -8.156
   35    HB   THR   5           HB       THR   5   1.057 -11.974 -10.103
   36    HG1  THR   5           HG1      THR   5   1.490 -13.758 -11.583
   37   1HG2  THR   5          3HG2      THR   5   2.905 -12.783  -8.593
   38   2HG2  THR   5          1HG2      THR   5   2.680 -14.425  -9.226
   39   3HG2  THR   5          2HG2      THR   5   3.245 -13.125 -10.299
   40    H    PHE   6           H        PHE   6  -1.105 -11.023  -8.618
   41    HA   PHE   6           HA       PHE   6   0.311  -9.561  -6.619
   42   1HB   PHE   6          1HB       PHE   6  -1.190  -8.341  -8.025
   43   2HB   PHE   6          2HB       PHE   6  -2.529  -9.428  -7.714
   44    HD1  PHE   6           HD2      PHE   6  -3.888  -9.319  -5.712
   45    HD2  PHE   6           HD1      PHE   6  -0.720  -6.496  -6.422
   46    HE1  PHE   6           HE2      PHE   6  -4.630  -8.022  -3.757
   47    HE2  PHE   6           HE1      PHE   6  -1.448  -5.202  -4.419
   48    HZ   PHE   6           HZ       PHE   6  -3.380  -6.010  -3.063
   49    H    PHE   7           H        PHE   7  -2.681 -11.552  -6.291
   50    HA   PHE   7           HA       PHE   7  -2.921 -11.109  -3.501
   51   1HB   PHE   7          1HB       PHE   7  -4.016 -13.313  -5.286
   52   2HB   PHE   7          2HB       PHE   7  -4.368 -13.191  -3.567
   53    HD1  PHE   7           HD1      PHE   7  -5.522 -11.158  -2.625
   54    HD2  PHE   7           HD2      PHE   7  -5.173 -11.851  -6.872
   55    HE1  PHE   7           HE1      PHE   7  -7.307  -9.487  -3.046
   56    HE2  PHE   7           HE2      PHE   7  -6.941 -10.166  -7.284
   57    HZ   PHE   7           HZ       PHE   7  -8.007  -8.974  -5.365
   58    H    GLU   8           H        GLU   8  -1.379 -13.814  -5.316
   59    HA   GLU   8           HA       GLU   8  -0.616 -15.242  -2.973
   60   1HB   GLU   8          1HB       GLU   8   0.472 -15.164  -5.808
   61   2HB   GLU   8          2HB       GLU   8   1.258 -16.136  -4.563
   62   1HG   GLU   8          1HG       GLU   8  -1.619 -16.410  -5.508
   63   2HG   GLU   8          2HG       GLU   8  -0.290 -17.526  -5.841
   64    H    VAL   9           H        VAL   9   1.179 -12.592  -4.678
   65    HA   VAL   9           HA       VAL   9   3.434 -12.966  -2.913
   66    HB   VAL   9           HB       VAL   9   2.683 -10.608  -4.680
   67   1HG1  VAL   9          1HG1      VAL   9   5.256 -11.243  -3.154
   68   2HG1  VAL   9          2HG1      VAL   9   5.125 -10.021  -4.436
   69   3HG1  VAL   9          3HG1      VAL   9   4.212  -9.826  -2.930
   70   1HG2  VAL   9          2HG2      VAL   9   3.219 -12.792  -5.865
   71   2HG2  VAL   9          3HG2      VAL   9   4.401 -11.523  -6.183
   72   3HG2  VAL   9          1HG2      VAL   9   4.772 -12.825  -5.031
   73    H    LEU  10           H        LEU  10   0.480 -10.900  -2.720
   74    HA   LEU  10           HA       LEU  10   1.259  -9.605  -0.285
   75   1HB   LEU  10          1HB       LEU  10  -1.400 -10.082  -1.557
   76   2HB   LEU  10          2HB       LEU  10  -1.333  -9.532   0.101
   77    HG   LEU  10           HG       LEU  10  -1.620  -7.773  -1.729
   78   1HD1  LEU  10          1HD1      LEU  10  -1.089  -7.261   0.625
   79   2HD1  LEU  10          2HD1      LEU  10   0.643  -7.395   0.271
   80   3HD1  LEU  10          3HD1      LEU  10  -0.325  -6.113  -0.480
   81   1HD2  LEU  10          2HD2      LEU  10   0.169  -8.391  -3.305
   82   2HD2  LEU  10          3HD2      LEU  10   0.385  -6.755  -2.688
   83   3HD2  LEU  10          1HD2      LEU  10   1.400  -8.066  -2.062
   84    H    LYS  11           H        LYS  11  -0.393 -12.741  -0.807
   85    HA   LYS  11           HA       LYS  11  -0.717 -13.390   1.945
   86   1HB   LYS  11          1HB       LYS  11  -0.258 -15.270  -0.418
   87   2HB   LYS  11          2HB       LYS  11  -0.634 -15.785   1.229
   88   1HG   LYS  11          1HG       LYS  11  -2.642 -14.061   0.962
   89   2HG   LYS  11          2HG       LYS  11  -2.413 -14.367  -0.749
   90   1HD   LYS  11          1HD       LYS  11  -2.850 -16.612   1.280
   91   2HD   LYS  11          2HD       LYS  11  -4.154 -15.712   0.530
   92   1HE   LYS  11          1HE       LYS  11  -4.041 -17.560  -0.841
   93   2HE   LYS  11          2HE       LYS  11  -3.174 -16.331  -1.752
   94   1HZ   LYS  11          3HZ       LYS  11  -1.907 -18.548  -0.232
   95   2HZ   LYS  11          1HZ       LYS  11  -2.045 -18.327  -1.872
   96   3HZ   LYS  11          2HZ       LYS  11  -1.099 -17.371  -1.118
   97    H    ASN  12           H        ASN  12   2.259 -12.955   0.307
   98    HA   ASN  12           HA       ASN  12   3.715 -14.572   2.327
   99   1HB   ASN  12          1HB       ASN  12   4.467 -13.820  -0.522
  100   2HB   ASN  12          2HB       ASN  12   5.638 -14.422   0.636
  101   1HD2  ASN  12          2HD2      ASN  12   3.021 -17.088  -1.014
  102   2HD2  ASN  12          1HD2      ASN  12   2.680 -15.391  -1.220
  103    H    GLU  13           H        GLU  13   6.068 -13.556   2.407
  104    HA   GLU  13           HA       GLU  13   5.809 -10.858   3.604
  105   1HB   GLU  13          1HB       GLU  13   7.349 -12.584   4.591
  106   2HB   GLU  13          2HB       GLU  13   8.143 -12.755   3.031
  107   1HG   GLU  13          1HG       GLU  13   8.619 -10.109   3.394
  108   2HG   GLU  13          2HG       GLU  13   8.421 -10.573   5.080
  109    H    GLY  14           H        GLY  14   6.120  -9.020   2.464
  110   1HA   GLY  14          1HA       GLY  14   7.933  -8.880   0.257
  111   2HA   GLY  14          2HA       GLY  14   6.215  -8.630  -0.163
  112    H    VAL  15           H        VAL  15   7.756  -6.544  -0.514
  113    HA   VAL  15           HA       VAL  15   7.430  -4.693   1.788
  114    HB   VAL  15           HB       VAL  15   9.334  -4.508  -0.598
  115   1HG1  VAL  15          1HG1      VAL  15   8.976  -2.624   1.782
  116   2HG1  VAL  15          2HG1      VAL  15  10.254  -2.504   0.555
  117   3HG1  VAL  15          3HG1      VAL  15   8.572  -2.265   0.090
  118   1HG2  VAL  15          3HG2      VAL  15   9.939  -4.932   2.362
  119   2HG2  VAL  15          1HG2      VAL  15  10.164  -6.135   1.073
  120   3HG2  VAL  15          2HG2      VAL  15  11.147  -4.668   1.088
  121    H    VAL  16           H        VAL  16   6.249  -2.812   1.207
  122    HA   VAL  16           HA       VAL  16   5.123  -2.661  -1.503
  123    HB   VAL  16           HB       VAL  16   3.625  -2.897   1.099
  124   1HG1  VAL  16          2HG1      VAL  16   2.436  -1.555  -1.368
  125   2HG1  VAL  16          3HG1      VAL  16   1.550  -2.069   0.084
  126   3HG1  VAL  16          1HG1      VAL  16   2.734  -0.773   0.200
  127   1HG2  VAL  16          1HG2      VAL  16   3.859  -4.873  -0.406
  128   2HG2  VAL  16          2HG2      VAL  16   2.181  -4.399  -0.156
  129   3HG2  VAL  16          3HG2      VAL  16   2.998  -3.969  -1.668
  130    H    ALA  17           H        ALA  17   4.421  -0.450  -1.968
  131    HA   ALA  17           HA       ALA  17   5.341   1.613  -0.134
  132   1HB   ALA  17          2HB       ALA  17   7.196   0.872  -1.894
  133   2HB   ALA  17          3HB       ALA  17   6.160   1.715  -3.043
  134   3HB   ALA  17          1HB       ALA  17   6.872   2.599  -1.684
  135    H    ILE  18           H        ILE  18   4.450   3.765  -0.837
  136    HA   ILE  18           HA       ILE  18   2.238   3.662  -2.811
  137    HB   ILE  18           HB       ILE  18   1.941   4.570   0.081
  138   1HG1  ILE  18          1HG1      ILE  18   0.164   2.640  -1.465
  139   2HG1  ILE  18          2HG1      ILE  18   1.545   2.078  -0.522
  140   1HG2  ILE  18          1HG2      ILE  18  -0.007   4.952  -2.247
  141   2HG2  ILE  18          2HG2      ILE  18  -0.351   5.347  -0.551
  142   3HG2  ILE  18          3HG2      ILE  18   0.872   6.247  -1.405
  143   1HD1  ILE  18          1HD1      ILE  18  -0.773   3.618   0.685
  144   2HD1  ILE  18          2HD1      ILE  18  -0.561   1.872   0.700
  145   3HD1  ILE  18          3HD1      ILE  18   0.615   2.918   1.538
  146    H    ALA  19           H        ALA  19   2.536   5.433  -4.165
  147    HA   ALA  19           HA       ALA  19   4.181   7.714  -3.156
  148   1HB   ALA  19          1HB       ALA  19   4.770   6.617  -5.478
  149   2HB   ALA  19          2HB       ALA  19   3.335   7.511  -6.032
  150   3HB   ALA  19          3HB       ALA  19   4.678   8.376  -5.304
  151    H    THR  20           H        THR  20   2.844   8.957  -2.027
  152    HA   THR  20           HA       THR  20   0.051   9.143  -2.705
  153    HB   THR  20           HB       THR  20   1.573  10.804  -0.658
  154    HG1  THR  20           HG1      THR  20   2.030   9.085   0.360
  155   1HG2  THR  20          3HG2      THR  20  -0.940  11.132  -1.151
  156   2HG2  THR  20          1HG2      THR  20  -1.170   9.465  -0.600
  157   3HG2  THR  20          2HG2      THR  20  -0.541  10.696   0.512
  158    H    GLN  21           H        GLN  21  -0.723  10.774  -4.346
  159    HA   GLN  21           HA       GLN  21   1.194  12.907  -4.984
  160   1HB   GLN  21          1HB       GLN  21  -0.273  11.916  -6.728
  161   2HB   GLN  21          2HB       GLN  21  -1.700  12.487  -5.844
  162   1HG   GLN  21          1HG       GLN  21  -1.105  13.936  -7.753
  163   2HG   GLN  21          2HG       GLN  21  -1.102  14.795  -6.217
  164   1HE2  GLN  21          2HE2      GLN  21   2.223  15.887  -6.689
  165   2HE2  GLN  21          1HE2      GLN  21   0.674  16.086  -5.889
  166    H    GLY  22           H        GLY  22   1.082  14.995  -4.108
  167   1HA   GLY  22          1HA       GLY  22  -1.266  15.633  -2.389
  168   2HA   GLY  22          2HA       GLY  22   0.366  15.872  -1.744
  169    H    GLU  23           H        GLU  23   1.794  17.400  -2.856
  170    HA   GLU  23           HA       GLU  23   0.620  19.280  -4.787
  171   1HB   GLU  23          1HB       GLU  23  -0.368  19.941  -2.634
  172   2HB   GLU  23          2HB       GLU  23   1.217  19.977  -1.867
  173   1HG   GLU  23          1HG       GLU  23   1.898  21.878  -3.260
  174   2HG   GLU  23          2HG       GLU  23   0.407  21.751  -4.210
  175    H    ASP  24           H        ASP  24   3.160  18.924  -2.247
  176    HA   ASP  24           HA       ASP  24   5.250  20.161  -3.778
  177   1HB   ASP  24          1HB       ASP  24   6.503  19.849  -1.739
  178   2HB   ASP  24          2HB       ASP  24   4.896  20.440  -1.327
  179    H    GLY  25           H        GLY  25   4.238  17.967  -5.143
  180   1HA   GLY  25          1HA       GLY  25   5.223  16.289  -6.475
  181   2HA   GLY  25          2HA       GLY  25   6.586  16.180  -5.348
  182    HA   PRO  26           HA       PRO  26   3.303  12.980  -4.295
  183   1HB   PRO  26          1HB       PRO  26   4.031  10.724  -5.678
  184   2HB   PRO  26          2HB       PRO  26   2.800  11.880  -6.199
  185   1HG   PRO  26          1HG       PRO  26   5.722  11.761  -7.028
  186   2HG   PRO  26          2HG       PRO  26   4.287  11.983  -8.083
  187   1HD   PRO  26          1HD       PRO  26   5.819  14.087  -7.237
  188   2HD   PRO  26          2HD       PRO  26   4.045  14.236  -7.427
  189    H    HIS  27           H        HIS  27   3.757  11.463  -2.777
  190    HA   HIS  27           HA       HIS  27   6.571  11.446  -1.734
  191   1HB   HIS  27          1HB       HIS  27   4.823  12.825  -0.637
  192   2HB   HIS  27          2HB       HIS  27   3.856  11.401  -0.368
  193    HD1  HIS  27           HD1      HIS  27   7.167  10.205   0.767
  194    HD2  HIS  27           HD2      HIS  27   4.143  12.870   2.033
  195    HE1  HIS  27           HE1      HIS  27   7.382  10.394   3.273
  196    H    LEU  28           H        LEU  28   7.384   9.443  -2.373
  197    HA   LEU  28           HA       LEU  28   5.737   7.037  -2.228
  198   1HB   LEU  28          1HB       LEU  28   7.194   7.485  -4.143
  199   2HB   LEU  28          2HB       LEU  28   8.610   7.368  -3.102
  200    HG   LEU  28           HG       LEU  28   8.359   5.019  -2.822
  201   1HD1  LEU  28          2HD1      LEU  28   5.546   5.292  -3.934
  202   2HD1  LEU  28          3HD1      LEU  28   6.364   3.758  -3.737
  203   3HD1  LEU  28          1HD1      LEU  28   6.015   4.741  -2.308
  204   1HD2  LEU  28          2HD2      LEU  28   9.036   5.663  -5.159
  205   2HD2  LEU  28          3HD2      LEU  28   8.180   4.113  -5.106
  206   3HD2  LEU  28          1HD2      LEU  28   7.331   5.567  -5.656
  207    H    VAL  29           H        VAL  29   5.303   6.323  -0.256
  208    HA   VAL  29           HA       VAL  29   7.470   6.165   1.780
  209    HB   VAL  29           HB       VAL  29   5.554   5.890   3.353
  210   1HG1  VAL  29          3HG1      VAL  29   6.562   8.112   2.840
  211   2HG1  VAL  29          1HG1      VAL  29   5.267   8.386   1.652
  212   3HG1  VAL  29          2HG1      VAL  29   4.870   8.209   3.370
  213   1HG2  VAL  29          1HG2      VAL  29   3.841   4.987   1.742
  214   2HG2  VAL  29          2HG2      VAL  29   3.273   6.317   2.763
  215   3HG2  VAL  29          3HG2      VAL  29   3.684   6.632   1.080
  216    H    ASN  30           H        ASN  30   7.285   4.095   3.263
  217    HA   ASN  30           HA       ASN  30   6.694   1.723   1.550
  218   1HB   ASN  30          1HB       ASN  30   9.153   2.388   3.166
  219   2HB   ASN  30          2HB       ASN  30   8.742   0.709   2.896
  220   1HD2  ASN  30          2HD2      ASN  30   9.212   1.001  -0.709
  221   2HD2  ASN  30          1HD2      ASN  30   7.940   0.376   0.341
  222    H    THR  31           H        THR  31   6.586  -0.412   2.604
  223    HA   THR  31           HA       THR  31   6.003  -0.693   5.365
  224    HB   THR  31           HB       THR  31   3.990   0.531   4.739
  225    HG1  THR  31           HG1      THR  31   3.467  -0.802   6.263
  226   1HG2  THR  31          3HG2      THR  31   3.899  -0.149   2.309
  227   2HG2  THR  31          1HG2      THR  31   3.294  -1.732   2.861
  228   3HG2  THR  31          2HG2      THR  31   2.365  -0.256   3.169
  229    H    TRP  32           H        TRP  32   4.804  -3.008   5.557
  230    HA   TRP  32           HA       TRP  32   6.232  -4.985   3.844
  231   1HB   TRP  32          1HB       TRP  32   5.956  -4.974   6.884
  232   2HB   TRP  32          2HB       TRP  32   6.384  -6.389   5.942
  233    HD1  TRP  32           HD1      TRP  32   7.847  -3.294   7.423
  234    HE1  TRP  32           HE1      TRP  32  10.349  -3.184   7.036
  235    HE3  TRP  32           HE3      TRP  32   8.317  -7.294   4.273
  236    HZ2  TRP  32           HZ2      TRP  32  12.376  -4.766   5.647
  237    HZ3  TRP  32           HZ3      TRP  32  10.550  -8.030   3.496
  238    HH2  TRP  32           HH2      TRP  32  12.587  -6.751   4.155
  239    H    ASN  33           H        ASN  33   4.928  -6.781   3.313
  240    HA   ASN  33           HA       ASN  33   2.136  -6.607   3.433
  241   1HB   ASN  33          1HB       ASN  33   3.866  -9.098   3.251
  242   2HB   ASN  33          2HB       ASN  33   2.128  -9.053   2.966
  243   1HD2  ASN  33          2HD2      ASN  33   3.660  -8.866  -0.372
  244   2HD2  ASN  33          1HD2      ASN  33   3.500 -10.045   0.916
  245    H    SER  34           H        SER  34   4.356  -7.850   5.825
  246    HA   SER  34           HA       SER  34   2.675  -9.340   7.523
  247   1HB   SER  34          1HB       SER  34   5.251  -9.064   7.422
  248   2HB   SER  34          2HB       SER  34   5.016  -7.609   8.406
  249    HG   SER  34           HG       SER  34   5.439  -9.442   9.684
  250    H    TYR  35           H        TYR  35   2.574  -5.936   6.917
  251    HA   TYR  35           HA       TYR  35   1.152  -5.384   9.481
  252   1HB   TYR  35          1HB       TYR  35   2.564  -3.471   7.607
  253   2HB   TYR  35          2HB       TYR  35   1.833  -3.082   9.152
  254    HD1  TYR  35           HD1      TYR  35   3.109  -5.688  10.593
  255    HD2  TYR  35           HD2      TYR  35   4.631  -2.401   8.238
  256    HE1  TYR  35           HE1      TYR  35   5.283  -5.906  11.705
  257    HE2  TYR  35           HE2      TYR  35   6.805  -2.575   9.403
  258    HH   TYR  35           HH       TYR  35   7.464  -5.061  11.892
  259    H    LEU  36           H        LEU  36   0.493  -6.093   6.236
  260    HA   LEU  36           HA       LEU  36  -1.463  -3.860   5.915
  261   1HB   LEU  36          1HB       LEU  36  -0.552  -5.966   3.900
  262   2HB   LEU  36          2HB       LEU  36  -1.549  -4.549   3.581
  263    HG   LEU  36           HG       LEU  36   1.406  -4.655   4.182
  264   1HD1  LEU  36          3HD1      LEU  36   0.660  -4.957   1.852
  265   2HD1  LEU  36          1HD1      LEU  36  -0.206  -3.400   1.927
  266   3HD1  LEU  36          2HD1      LEU  36   1.564  -3.458   2.075
  267   1HD2  LEU  36          2HD2      LEU  36  -0.489  -2.346   4.460
  268   2HD2  LEU  36          3HD2      LEU  36   0.825  -2.832   5.546
  269   3HD2  LEU  36          1HD2      LEU  36   1.209  -2.076   4.006
  270    H    LYS  37           H        LYS  37  -3.506  -4.411   4.817
  271    HA   LYS  37           HA       LYS  37  -4.387  -7.196   5.229
  272   1HB   LYS  37          1HB       LYS  37  -6.477  -6.643   6.205
  273   2HB   LYS  37          2HB       LYS  37  -5.167  -6.056   7.243
  274   1HG   LYS  37          1HG       LYS  37  -5.523  -3.771   6.452
  275   2HG   LYS  37          2HG       LYS  37  -6.791  -4.337   5.325
  276   1HD   LYS  37          1HD       LYS  37  -7.988  -5.266   7.397
  277   2HD   LYS  37          2HD       LYS  37  -6.865  -4.272   8.344
  278   1HE   LYS  37          1HE       LYS  37  -8.733  -2.866   8.077
  279   2HE   LYS  37          2HE       LYS  37  -7.627  -2.304   6.827
  280   1HZ   LYS  37          2HZ       LYS  37  -8.927  -3.774   5.269
  281   2HZ   LYS  37          3HZ       LYS  37 -10.022  -4.001   6.498
  282   3HZ   LYS  37          1HZ       LYS  37  -9.778  -2.536   5.866
  283    H    VAL  38           H        VAL  38  -5.538  -7.932   3.445
  284    HA   VAL  38           HA       VAL  38  -6.215  -5.916   1.363
  285    HB   VAL  38           HB       VAL  38  -5.539  -8.863   1.095
  286   1HG1  VAL  38          1HG1      VAL  38  -6.325  -6.836  -1.041
  287   2HG1  VAL  38          2HG1      VAL  38  -5.687  -8.466  -1.362
  288   3HG1  VAL  38          3HG1      VAL  38  -7.243  -8.274  -0.553
  289   1HG2  VAL  38          2HG2      VAL  38  -3.518  -7.427   1.412
  290   2HG2  VAL  38          3HG2      VAL  38  -3.598  -8.243  -0.151
  291   3HG2  VAL  38          1HG2      VAL  38  -3.997  -6.527  -0.048
  292    H    LEU  39           H        LEU  39  -8.392  -6.082   0.632
  293    HA   LEU  39           HA       LEU  39 -10.248  -7.855   2.103
  294   1HB   LEU  39          1HB       LEU  39 -10.832  -4.999   1.239
  295   2HB   LEU  39          2HB       LEU  39 -11.948  -6.107   2.001
  296    HG   LEU  39           HG       LEU  39  -9.626  -4.670   3.330
  297   1HD1  LEU  39          1HD1      LEU  39 -12.675  -4.524   3.521
  298   2HD1  LEU  39          2HD1      LEU  39 -11.595  -3.686   4.626
  299   3HD1  LEU  39          3HD1      LEU  39 -11.576  -3.276   2.914
  300   1HD2  LEU  39          2HD2      LEU  39 -11.564  -6.678   4.550
  301   2HD2  LEU  39          3HD2      LEU  39  -9.789  -6.832   4.453
  302   3HD2  LEU  39          1HD2      LEU  39 -10.535  -5.605   5.484
  303    H    ASP  40           H        ASP  40 -12.441  -7.551   0.597
  304    HA   ASP  40           HA       ASP  40 -11.684  -8.380  -2.052
  305   1HB   ASP  40          1HB       ASP  40 -13.558  -9.441  -0.817
  306   2HB   ASP  40          2HB       ASP  40 -14.433  -7.903  -0.855
  307    H    GLY  41           H        GLY  41 -13.361  -7.205  -3.792
  308   1HA   GLY  41          1HA       GLY  41 -13.623  -5.312  -5.109
  309   2HA   GLY  41          2HA       GLY  41 -13.750  -4.384  -3.600
  310    H    ASN  42           H        ASN  42 -10.990  -6.316  -4.258
  311    HA   ASN  42           HA       ASN  42  -8.782  -6.035  -4.443
  312   1HB   ASN  42          1HB       ASN  42  -7.870  -4.623  -6.076
  313   2HB   ASN  42          2HB       ASN  42  -9.429  -5.137  -6.722
  314   1HD2  ASN  42          2HD2      ASN  42 -10.145  -1.697  -7.259
  315   2HD2  ASN  42          1HD2      ASN  42 -10.565  -3.357  -7.725
  316    H    ARG  43           H        ARG  43 -10.410  -4.276  -2.335
  317    HA   ARG  43           HA       ARG  43  -8.666  -2.013  -2.018
  318   1HB   ARG  43          1HB       ARG  43 -10.907  -1.917  -1.253
  319   2HB   ARG  43          2HB       ARG  43 -10.742  -3.353  -0.248
  320   1HG   ARG  43          1HG       ARG  43  -9.414  -2.240   1.380
  321   2HG   ARG  43          2HG       ARG  43  -9.110  -0.849   0.323
  322   1HD   ARG  43          1HD       ARG  43 -11.884  -1.625   1.309
  323   2HD   ARG  43          2HD       ARG  43 -10.808  -0.495   2.139
  324    HE   ARG  43           HE       ARG  43 -11.036   0.260  -0.599
  325   1HH1  ARG  43          2HH2      ARG  43 -12.828   0.363   2.475
  326   2HH1  ARG  43          1HH2      ARG  43 -13.912   1.605   1.984
  327   1HH2  ARG  43          2HH1      ARG  43 -12.246   2.029  -1.200
  328   2HH2  ARG  43          1HH1      ARG  43 -13.553   2.635  -0.227
  329    H    ILE  44           H        ILE  44  -6.951  -1.597  -0.649
  330    HA   ILE  44           HA       ILE  44  -5.928  -3.832   1.008
  331    HB   ILE  44           HB       ILE  44  -4.113  -1.921  -0.503
  332   1HG1  ILE  44          1HG1      ILE  44  -4.600  -4.768  -1.491
  333   2HG1  ILE  44          2HG1      ILE  44  -5.434  -3.383  -2.181
  334   1HG2  ILE  44          2HG2      ILE  44  -3.782  -4.591   0.971
  335   2HG2  ILE  44          3HG2      ILE  44  -2.481  -3.906  -0.002
  336   3HG2  ILE  44          1HG2      ILE  44  -3.075  -3.035   1.410
  337   1HD1  ILE  44          1HD1      ILE  44  -3.312  -2.273  -2.717
  338   2HD1  ILE  44          2HD1      ILE  44  -2.433  -3.741  -2.221
  339   3HD1  ILE  44          3HD1      ILE  44  -3.576  -3.784  -3.578
  340    H    VAL  45           H        VAL  45  -4.748  -2.920   2.913
  341    HA   VAL  45           HA       VAL  45  -5.094  -0.028   3.331
  342    HB   VAL  45           HB       VAL  45  -6.123  -2.088   5.282
  343   1HG1  VAL  45          2HG1      VAL  45  -5.401  -0.015   6.389
  344   2HG1  VAL  45          3HG1      VAL  45  -6.439   0.928   5.303
  345   3HG1  VAL  45          1HG1      VAL  45  -7.150  -0.208   6.468
  346   1HG2  VAL  45          3HG2      VAL  45  -7.731  -0.416   3.350
  347   2HG2  VAL  45          1HG2      VAL  45  -7.722  -2.179   3.512
  348   3HG2  VAL  45          2HG2      VAL  45  -8.410  -1.162   4.784
  349    H    VAL  46           H        VAL  46  -3.639   0.813   4.710
  350    HA   VAL  46           HA       VAL  46  -1.441  -0.910   5.677
  351    HB   VAL  46           HB       VAL  46  -1.338   1.871   4.432
  352   1HG1  VAL  46          1HG1      VAL  46   0.939   0.045   5.253
  353   2HG1  VAL  46          2HG1      VAL  46   1.099   1.592   4.390
  354   3HG1  VAL  46          3HG1      VAL  46   0.466   1.571   6.031
  355   1HG2  VAL  46          2HG2      VAL  46  -0.805  -0.786   3.095
  356   2HG2  VAL  46          3HG2      VAL  46  -1.824   0.559   2.578
  357   3HG2  VAL  46          1HG2      VAL  46  -0.061   0.714   2.554
  358    HA   PRO  47           HA       PRO  47  -2.417   1.553   9.410
  359   1HB   PRO  47          1HB       PRO  47  -0.417   0.665  11.045
  360   2HB   PRO  47          2HB       PRO  47  -1.829  -0.341  10.624
  361   1HG   PRO  47          1HG       PRO  47   0.894  -0.387   9.301
  362   2HG   PRO  47          2HG       PRO  47  -0.036  -1.775   9.935
  363   1HD   PRO  47          1HD       PRO  47  -0.043  -1.068   7.319
  364   2HD   PRO  47          2HD       PRO  47  -1.554  -1.633   8.105
  365    H    VAL  48           H        VAL  48  -1.875   3.778   9.243
  366    HA   VAL  48           HA       VAL  48   0.875   4.421   8.398
  367    HB   VAL  48           HB       VAL  48  -0.826   5.917   7.522
  368   1HG1  VAL  48          1HG1      VAL  48  -1.927   5.973  10.252
  369   2HG1  VAL  48          2HG1      VAL  48  -2.043   7.429   9.282
  370   3HG1  VAL  48          3HG1      VAL  48  -2.678   5.901   8.645
  371   1HG2  VAL  48          1HG2      VAL  48   1.428   6.811   8.435
  372   2HG2  VAL  48          2HG2      VAL  48   0.161   8.002   8.100
  373   3HG2  VAL  48          3HG2      VAL  48   0.477   7.504   9.768
  374    H    GLY  49           H        GLY  49   2.465   4.242   9.840
  375   1HA   GLY  49          1HA       GLY  49   2.011   4.900  12.705
  376   2HA   GLY  49          2HA       GLY  49   3.333   3.908  12.058
  377    H    GLY  50           H        GLY  50   3.930   5.965   9.773
  378   1HA   GLY  50          1HA       GLY  50   4.632   8.358  11.358
  379   2HA   GLY  50          2HA       GLY  50   5.917   7.322  10.738
  380    H    MET  51           H        MET  51   3.104   7.569   8.726
  381    HA   MET  51           HA       MET  51   4.716   9.032   6.714
  382   1HB   MET  51          1HB       MET  51   2.022   7.602   6.483
  383   2HB   MET  51          2HB       MET  51   2.958   8.226   5.149
  384   1HG   MET  51          1HG       MET  51   4.536   6.619   5.214
  385   2HG   MET  51          2HG       MET  51   4.254   6.197   6.900
  386   1HE   MET  51          1HE       MET  51   4.784   4.036   5.973
  387   2HE   MET  51          2HE       MET  51   3.653   2.924   5.172
  388   3HE   MET  51          3HE       MET  51   4.535   4.157   4.237
  389    H    HIS  52           H        HIS  52   4.099  10.780   8.623
  390    HA   HIS  52           HA       HIS  52   1.491  11.899   8.602
  391   1HB   HIS  52          1HB       HIS  52   4.084  13.275   9.388
  392   2HB   HIS  52          2HB       HIS  52   2.447  13.709   9.890
  393    HD1  HIS  52           HD1      HIS  52   5.318  11.735  11.086
  394    HD2  HIS  52           HD2      HIS  52   1.109  11.470  11.245
  395    HE1  HIS  52           HE1      HIS  52   4.767  10.184  13.030
  396    H    LYS  53           H        LYS  53   4.474  13.090   6.811
  397    HA   LYS  53           HA       LYS  53   2.950  15.174   5.556
  398   1HB   LYS  53          1HB       LYS  53   5.487  15.034   5.536
  399   2HB   LYS  53          2HB       LYS  53   5.321  13.910   4.192
  400   1HG   LYS  53          1HG       LYS  53   3.835  15.721   3.065
  401   2HG   LYS  53          2HG       LYS  53   4.330  16.776   4.379
  402   1HD   LYS  53          1HD       LYS  53   5.812  17.355   2.681
  403   2HD   LYS  53          2HD       LYS  53   6.768  16.251   3.664
  404   1HE   LYS  53          1HE       LYS  53   7.122  15.732   1.346
  405   2HE   LYS  53          2HE       LYS  53   6.185  14.395   2.044
  406   1HZ   LYS  53          3HZ       LYS  53   5.133  16.676   0.462
  407   2HZ   LYS  53          1HZ       LYS  53   5.370  15.235  -0.158
  408   3HZ   LYS  53          2HZ       LYS  53   4.183  15.459   0.992
  409    H    THR  54           H        THR  54   3.231  11.722   4.651
  410    HA   THR  54           HA       THR  54   1.608  12.011   2.346
  411    HB   THR  54           HB       THR  54   2.613   9.786   3.934
  412    HG1  THR  54           HG1      THR  54   3.715  10.640   2.169
  413   1HG2  THR  54          2HG2      THR  54   0.250   9.340   2.101
  414   2HG2  THR  54          3HG2      THR  54   1.429   8.081   2.528
  415   3HG2  THR  54          1HG2      THR  54   0.451   8.847   3.782
  416    H    GLU  55           H        GLU  55   0.635  11.605   5.761
  417    HA   GLU  55           HA       GLU  55  -2.164  11.281   5.346
  418   1HB   GLU  55          1HB       GLU  55  -0.710  10.989   7.403
  419   2HB   GLU  55          2HB       GLU  55  -0.653  12.729   7.571
  420   1HG   GLU  55          1HG       GLU  55  -2.781  12.921   8.381
  421   2HG   GLU  55          2HG       GLU  55  -3.326  11.414   7.645
  422    H    ALA  56           H        ALA  56  -0.114  14.213   5.524
  423    HA   ALA  56           HA       ALA  56  -2.284  16.003   4.849
  424   1HB   ALA  56          1HB       ALA  56  -0.213  16.785   5.958
  425   2HB   ALA  56          2HB       ALA  56   0.710  16.446   4.474
  426   3HB   ALA  56          3HB       ALA  56  -0.560  17.677   4.462
  427    H    ASN  57           H        ASN  57   0.183  14.327   2.834
  428    HA   ASN  57           HA       ASN  57  -0.517  15.504   0.359
  429   1HB   ASN  57          1HB       ASN  57   0.479  12.693   0.909
  430   2HB   ASN  57          2HB       ASN  57   0.083  13.200  -0.666
  431   1HD2  ASN  57          2HD2      ASN  57   3.266  14.388  -1.362
  432   2HD2  ASN  57          1HD2      ASN  57   1.961  13.309  -1.786
  433    H    VAL  58           H        VAL  58  -2.060  12.633   1.971
  434    HA   VAL  58           HA       VAL  58  -3.989  12.288  -0.125
  435    HB   VAL  58           HB       VAL  58  -4.172  11.391   2.781
  436   1HG1  VAL  58          3HG1      VAL  58  -5.844  10.647   0.330
  437   2HG1  VAL  58          1HG1      VAL  58  -5.904   9.796   1.886
  438   3HG1  VAL  58          2HG1      VAL  58  -6.427  11.484   1.780
  439   1HG2  VAL  58          3HG2      VAL  58  -3.320  10.034   0.184
  440   2HG2  VAL  58          1HG2      VAL  58  -2.354  10.267   1.662
  441   3HG2  VAL  58          2HG2      VAL  58  -3.701   9.132   1.658
  442    H    ALA  59           H        ALA  59  -4.086  14.132   2.981
  443    HA   ALA  59           HA       ALA  59  -6.680  15.207   2.581
  444   1HB   ALA  59          2HB       ALA  59  -5.347  15.484   4.668
  445   2HB   ALA  59          3HB       ALA  59  -4.313  16.659   3.821
  446   3HB   ALA  59          1HB       ALA  59  -6.029  17.010   4.062
  447    H    ARG  60           H        ARG  60  -3.702  15.972   0.828
  448    HA   ARG  60           HA       ARG  60  -4.982  18.246  -0.465
  449   1HB   ARG  60          1HB       ARG  60  -2.217  17.106  -0.472
  450   2HB   ARG  60          2HB       ARG  60  -2.657  18.039  -1.873
  451   1HG   ARG  60          1HG       ARG  60  -3.194  19.134   0.929
  452   2HG   ARG  60          2HG       ARG  60  -1.555  19.189   0.270
  453   1HD   ARG  60          1HD       ARG  60  -3.307  21.209  -0.138
  454   2HD   ARG  60          2HD       ARG  60  -2.028  20.782  -1.270
  455    HE   ARG  60           HE       ARG  60  -4.656  19.491  -1.622
  456   1HH1  ARG  60          2HH2      ARG  60  -2.379  21.871  -3.013
  457   2HH1  ARG  60          1HH2      ARG  60  -2.767  21.460  -4.628
  458   1HH2  ARG  60          2HH1      ARG  60  -5.073  18.886  -3.684
  459   2HH2  ARG  60          1HH1      ARG  60  -4.399  19.726  -5.037
  460    H    ASP  61           H        ASP  61  -3.999  14.966  -1.524
  461    HA   ASP  61           HA       ASP  61  -6.059  15.151  -3.584
  462   1HB   ASP  61          1HB       ASP  61  -4.046  16.146  -4.698
  463   2HB   ASP  61          2HB       ASP  61  -3.194  14.616  -4.455
  464    H    GLU  62           H        GLU  62  -6.949  13.161  -4.016
  465    HA   GLU  62           HA       GLU  62  -6.080  10.987  -2.263
  466   1HB   GLU  62          1HB       GLU  62  -8.096   9.801  -3.004
  467   2HB   GLU  62          2HB       GLU  62  -8.400  11.395  -2.341
  468   1HG   GLU  62          1HG       GLU  62  -9.615  11.909  -4.128
  469   2HG   GLU  62          2HG       GLU  62  -8.166  11.854  -5.108
  470    H    ARG  63           H        ARG  63  -5.259  11.750  -5.523
  471    HA   ARG  63           HA       ARG  63  -5.217   9.058  -6.591
  472   1HB   ARG  63          1HB       ARG  63  -3.676  11.547  -7.466
  473   2HB   ARG  63          2HB       ARG  63  -3.557   9.976  -8.253
  474   1HG   ARG  63          1HG       ARG  63  -5.085  11.121  -9.575
  475   2HG   ARG  63          2HG       ARG  63  -6.077  10.032  -8.603
  476   1HD   ARG  63          1HD       ARG  63  -5.772  12.475  -7.142
  477   2HD   ARG  63          2HD       ARG  63  -6.110  12.942  -8.798
  478    HE   ARG  63           HE       ARG  63  -7.850  10.863  -7.626
  479   1HH1  ARG  63          2HH2      ARG  63  -7.309  14.252  -7.197
  480   2HH1  ARG  63          1HH2      ARG  63  -8.954  14.746  -7.235
  481   1HH2  ARG  63          2HH1      ARG  63  -9.908  11.295  -7.308
  482   2HH2  ARG  63          1HH1      ARG  63 -10.606  12.895  -7.216
  483    H    VAL  64           H        VAL  64  -3.741   7.392  -6.312
  484    HA   VAL  64           HA       VAL  64  -1.033   8.198  -5.494
  485    HB   VAL  64           HB       VAL  64  -0.867   6.628  -3.718
  486   1HG1  VAL  64          2HG1      VAL  64  -1.910   8.926  -3.204
  487   2HG1  VAL  64          3HG1      VAL  64  -3.434   8.078  -3.062
  488   3HG1  VAL  64          1HG1      VAL  64  -2.070   7.655  -1.995
  489   1HG2  VAL  64          1HG2      VAL  64  -2.409   4.849  -4.480
  490   2HG2  VAL  64          2HG2      VAL  64  -2.698   5.323  -2.814
  491   3HG2  VAL  64          3HG2      VAL  64  -3.794   5.893  -4.097
  492    H    LEU  65           H        LEU  65   0.517   6.634  -5.685
  493    HA   LEU  65           HA       LEU  65   0.020   4.548  -7.780
  494   1HB   LEU  65          1HB       LEU  65   1.867   6.442  -8.070
  495   2HB   LEU  65          2HB       LEU  65   2.677   5.594  -6.748
  496    HG   LEU  65           HG       LEU  65   2.574   3.473  -8.196
  497   1HD1  LEU  65          1HD1      LEU  65   2.002   5.575 -10.347
  498   2HD1  LEU  65          2HD1      LEU  65   2.399   3.868 -10.637
  499   3HD1  LEU  65          3HD1      LEU  65   0.888   4.289  -9.837
  500   1HD2  LEU  65          3HD2      LEU  65   4.231   5.872  -9.096
  501   2HD2  LEU  65          1HD2      LEU  65   4.628   4.754  -7.773
  502   3HD2  LEU  65          2HD2      LEU  65   4.604   4.169  -9.437
  503    H    MET  66           H        MET  66   0.830   2.377  -7.044
  504    HA   MET  66           HA       MET  66   1.868   2.250  -4.287
  505   1HB   MET  66          1HB       MET  66  -0.565   2.067  -4.056
  506   2HB   MET  66          2HB       MET  66  -0.617   0.730  -5.181
  507   1HG   MET  66          1HG       MET  66   0.682  -0.661  -3.584
  508   2HG   MET  66          2HG       MET  66   0.813   0.726  -2.500
  509   1HE   MET  66          3HE       MET  66  -0.235  -0.326  -0.366
  510   2HE   MET  66          1HE       MET  66  -1.790  -1.174  -0.318
  511   3HE   MET  66          2HE       MET  66  -0.410  -1.923  -1.144
  512    H    THR  67           H        THR  67   3.418   0.487  -4.092
  513    HA   THR  67           HA       THR  67   3.650  -1.159  -6.540
  514    HB   THR  67           HB       THR  67   6.007  -0.878  -6.658
  515    HG1  THR  67           HG1      THR  67   7.120   0.442  -5.196
  516   1HG2  THR  67          1HG2      THR  67   4.759   1.060  -7.698
  517   2HG2  THR  67          2HG2      THR  67   4.993   1.972  -6.189
  518   3HG2  THR  67          3HG2      THR  67   6.392   1.479  -7.149
  519    H    LEU  68           H        LEU  68   4.357  -3.288  -6.100
  520    HA   LEU  68           HA       LEU  68   4.717  -3.942  -3.224
  521   1HB   LEU  68          1HB       LEU  68   3.443  -5.836  -3.201
  522   2HB   LEU  68          2HB       LEU  68   2.434  -4.696  -4.045
  523    HG   LEU  68           HG       LEU  68   3.798  -5.961  -6.145
  524   1HD1  LEU  68          3HD1      LEU  68   3.096  -8.039  -4.033
  525   2HD1  LEU  68          1HD1      LEU  68   3.569  -8.391  -5.703
  526   3HD1  LEU  68          2HD1      LEU  68   4.735  -7.662  -4.598
  527   1HD2  LEU  68          3HD2      LEU  68   1.135  -6.741  -4.910
  528   2HD2  LEU  68          1HD2      LEU  68   1.405  -5.531  -6.180
  529   3HD2  LEU  68          2HD2      LEU  68   1.695  -7.233  -6.522
  530    H    GLY  69           H        GLY  69   6.067  -5.871  -2.943
  531   1HA   GLY  69          1HA       GLY  69   7.258  -7.186  -5.165
  532   2HA   GLY  69          2HA       GLY  69   8.377  -5.951  -4.537
  533    H    SER  70           H        SER  70   9.425  -8.371  -4.296
  534    HA   SER  70           HA       SER  70   9.369  -8.734  -1.404
  535   1HB   SER  70          1HB       SER  70   7.594 -10.330  -2.184
  536   2HB   SER  70          2HB       SER  70   8.783 -11.093  -3.257
  537    HG   SER  70           HG       SER  70   8.359 -11.406  -0.571
  538    H    ARG  71           H        ARG  71  11.040 -10.344  -0.850
  539    HA   ARG  71           HA       ARG  71  13.522 -10.024  -2.519
  540   1HB   ARG  71          1HB       ARG  71  13.220 -10.959   0.381
  541   2HB   ARG  71          2HB       ARG  71  14.717 -10.526  -0.446
  542   1HG   ARG  71          1HG       ARG  71  13.998  -8.164  -0.543
  543   2HG   ARG  71          2HG       ARG  71  12.472  -8.558   0.260
  544   1HD   ARG  71          1HD       ARG  71  15.223  -8.985   1.474
  545   2HD   ARG  71          2HD       ARG  71  14.181  -7.586   1.779
  546    HE   ARG  71           HE       ARG  71  12.601  -9.817   2.431
  547   1HH1  ARG  71          2HH2      ARG  71  15.628  -8.392   3.597
  548   2HH1  ARG  71          1HH2      ARG  71  15.442  -8.989   5.210
  549   1HH2  ARG  71          2HH1      ARG  71  12.349 -10.596   4.430
  550   2HH2  ARG  71          1HH1      ARG  71  13.464 -10.324   5.738
  551    H    LYS  72           H        LYS  72  11.022 -12.185  -1.543
  552    HA   LYS  72           HA       LYS  72  12.712 -14.592  -1.705
  553   1HB   LYS  72          1HB       LYS  72   9.936 -14.060  -0.620
  554   2HB   LYS  72          2HB       LYS  72  10.618 -15.689  -0.757
  555   1HG   LYS  72          1HG       LYS  72  12.286 -15.324   0.841
  556   2HG   LYS  72          2HG       LYS  72  12.354 -13.601   0.558
  557   1HD   LYS  72          1HD       LYS  72  11.471 -13.602   2.597
  558   2HD   LYS  72          2HD       LYS  72   9.998 -13.473   1.633
  559   1HE   LYS  72          1HE       LYS  72   9.630 -15.938   1.941
  560   2HE   LYS  72          2HE       LYS  72  11.168 -16.033   2.822
  561   1HZ   LYS  72          3HZ       LYS  72  10.134 -14.282   4.336
  562   2HZ   LYS  72          1HZ       LYS  72   8.711 -14.670   3.688
  563   3HZ   LYS  72          2HZ       LYS  72   9.564 -15.836   4.490
  564    H    VAL  73           H        VAL  73  11.182 -12.798  -4.184
  565    HA   VAL  73           HA       VAL  73  10.952 -15.330  -5.624
  566    HB   VAL  73           HB       VAL  73   8.946 -13.083  -5.905
  567   1HG1  VAL  73          1HG1      VAL  73   9.431 -14.327  -8.000
  568   2HG1  VAL  73          2HG1      VAL  73   9.061 -15.855  -7.173
  569   3HG1  VAL  73          3HG1      VAL  73   7.790 -14.642  -7.431
  570   1HG2  VAL  73          3HG2      VAL  73   8.544 -15.815  -4.628
  571   2HG2  VAL  73          1HG2      VAL  73   8.395 -14.236  -3.826
  572   3HG2  VAL  73          2HG2      VAL  73   7.236 -14.697  -5.073
  573    H    ALA  74           H        ALA  74  12.123 -15.138  -7.409
  574    HA   ALA  74           HA       ALA  74  13.784 -12.750  -7.682
  575   1HB   ALA  74          1HB       ALA  74  14.871 -14.984  -7.743
  576   2HB   ALA  74          2HB       ALA  74  13.862 -15.435  -9.143
  577   3HB   ALA  74          3HB       ALA  74  15.064 -14.139  -9.294
  578    H    GLY  75           H        GLY  75  13.589 -11.259  -9.270
  579   1HA   GLY  75          1HA       GLY  75  11.673 -11.764 -11.487
  580   2HA   GLY  75          2HA       GLY  75  11.839 -10.220 -10.640
  581    H    ARG  76           H        ARG  76  12.594  -9.015 -12.228
  582    HA   ARG  76           HA       ARG  76  14.656  -9.873 -14.122
  583   1HB   ARG  76          1HB       ARG  76  13.170  -7.231 -13.682
  584   2HB   ARG  76          2HB       ARG  76  14.335  -7.506 -14.986
  585   1HG   ARG  76          1HG       ARG  76  12.934  -9.265 -15.953
  586   2HG   ARG  76          2HG       ARG  76  11.821  -9.197 -14.582
  587   1HD   ARG  76          1HD       ARG  76  10.863  -8.042 -16.501
  588   2HD   ARG  76          2HD       ARG  76  11.138  -6.949 -15.148
  589    HE   ARG  76           HE       ARG  76  13.209  -7.135 -17.236
  590   1HH1  ARG  76          2HH2      ARG  76  10.522  -5.213 -15.864
  591   2HH1  ARG  76          1HH2      ARG  76  10.973  -3.750 -16.633
  592   1HH2  ARG  76          2HH1      ARG  76  13.824  -5.157 -18.271
  593   2HH2  ARG  76          1HH1      ARG  76  12.897  -3.722 -18.040
  594    H    ASN  77           H        ASN  77  14.448  -7.245 -11.610
  595    HA   ASN  77           HA       ASN  77  17.397  -7.001 -11.815
  596   1HB   ASN  77          1HB       ASN  77  17.054  -5.139 -10.139
  597   2HB   ASN  77          2HB       ASN  77  16.523  -4.888 -11.793
  598   1HD2  ASN  77          2HD2      ASN  77  13.416  -5.375  -9.100
  599   2HD2  ASN  77          1HD2      ASN  77  14.778  -6.454  -8.953
  600    H    GLY  78           H        GLY  78  18.206  -8.799 -10.933
  601   1HA   GLY  78          1HA       GLY  78  19.048 -10.113  -9.248
  602   2HA   GLY  78          2HA       GLY  78  18.570  -8.843  -8.104
  603    HA   PRO  79           HA       PRO  79  15.738 -12.410  -7.390
  604   1HB   PRO  79          1HB       PRO  79  16.427 -13.153  -4.867
  605   2HB   PRO  79          2HB       PRO  79  17.384 -13.651  -6.296
  606   1HG   PRO  79          1HG       PRO  79  17.927 -11.313  -4.427
  607   2HG   PRO  79          2HG       PRO  79  19.074 -12.580  -4.967
  608   1HD   PRO  79          1HD       PRO  79  18.866 -10.115  -6.184
  609   2HD   PRO  79          2HD       PRO  79  19.304 -11.597  -7.088
  610    H    GLY  80           H        GLY  80  14.641 -10.141  -7.631
  611   1HA   GLY  80          1HA       GLY  80  12.856 -10.018  -5.365
  612   2HA   GLY  80          2HA       GLY  80  13.808  -8.531  -5.559
  613    H    THR  81           H        THR  81  11.013 -10.193  -6.502
  614    HA   THR  81           HA       THR  81  10.748  -8.559  -9.022
  615    HB   THR  81           HB       THR  81  10.468 -11.116  -8.973
  616    HG1  THR  81           HG1      THR  81   9.553  -9.490 -10.540
  617   1HG2  THR  81          1HG2      THR  81   9.004 -11.159  -6.921
  618   2HG2  THR  81          2HG2      THR  81   7.695 -10.491  -7.915
  619   3HG2  THR  81          3HG2      THR  81   8.385 -12.074  -8.320
  620    H    GLY  82           H        GLY  82   8.443  -7.726  -9.406
  621   1HA   GLY  82          1HA       GLY  82   6.785  -7.038  -7.164
  622   2HA   GLY  82          2HA       GLY  82   7.947  -5.748  -7.509
  623    H    PHE  83           H        PHE  83   5.535  -4.940  -7.626
  624    HA   PHE  83           HA       PHE  83   4.604  -4.939 -10.449
  625   1HB   PHE  83          1HB       PHE  83   2.857  -5.196  -7.963
  626   2HB   PHE  83          2HB       PHE  83   2.265  -4.969  -9.571
  627    HD1  PHE  83           HD2      PHE  83   4.496  -7.467  -7.738
  628    HD2  PHE  83           HD1      PHE  83   1.358  -6.815 -10.629
  629    HE1  PHE  83           HE2      PHE  83   4.430  -9.875  -8.195
  630    HE2  PHE  83           HE1      PHE  83   1.300  -9.261 -11.066
  631    HZ   PHE  83           HZ       PHE  83   2.881 -10.764  -9.905
  632    H    LEU  84           H        LEU  84   3.463  -3.169 -11.017
  633    HA   LEU  84           HA       LEU  84   3.779  -0.649  -9.480
  634   1HB   LEU  84          1HB       LEU  84   4.901  -0.850 -11.704
  635   2HB   LEU  84          2HB       LEU  84   3.364  -1.234 -12.458
  636    HG   LEU  84           HG       LEU  84   4.152   1.026 -12.890
  637   1HD1  LEU  84          3HD1      LEU  84   1.670   0.543 -12.829
  638   2HD1  LEU  84          1HD1      LEU  84   1.631   1.337 -11.239
  639   3HD1  LEU  84          2HD1      LEU  84   2.153   2.239 -12.663
  640   1HD2  LEU  84          3HD2      LEU  84   5.300   1.361 -10.691
  641   2HD2  LEU  84          1HD2      LEU  84   4.341   2.735 -11.250
  642   3HD2  LEU  84          2HD2      LEU  84   3.711   1.684  -9.958
  643    H    ILE  85           H        ILE  85   1.761   0.244  -8.772
  644    HA   ILE  85           HA       ILE  85  -0.702  -0.978  -9.863
  645    HB   ILE  85           HB       ILE  85  -0.273  -0.409  -6.916
  646   1HG1  ILE  85          1HG1      ILE  85   0.103  -3.185  -8.145
  647   2HG1  ILE  85          2HG1      ILE  85   1.401  -2.176  -7.520
  648   1HG2  ILE  85          3HG2      ILE  85  -2.267  -2.029  -8.549
  649   2HG2  ILE  85          1HG2      ILE  85  -2.233  -2.080  -6.792
  650   3HG2  ILE  85          2HG2      ILE  85  -2.573  -0.567  -7.619
  651   1HD1  ILE  85          1HD1      ILE  85   0.035  -2.075  -5.308
  652   2HD1  ILE  85          2HD1      ILE  85  -0.734  -3.552  -5.941
  653   3HD1  ILE  85          3HD1      ILE  85   1.026  -3.475  -5.692
  654    H    ARG  86           H        ARG  86  -2.510   0.442  -9.631
  655    HA   ARG  86           HA       ARG  86  -1.853   3.330  -9.185
  656   1HB   ARG  86          1HB       ARG  86  -3.574   2.104 -11.397
  657   2HB   ARG  86          2HB       ARG  86  -3.099   3.796 -11.259
  658   1HG   ARG  86          1HG       ARG  86  -0.798   3.268 -11.877
  659   2HG   ARG  86          2HG       ARG  86  -1.087   1.530 -11.730
  660   1HD   ARG  86          1HD       ARG  86  -2.796   1.679 -13.549
  661   2HD   ARG  86          2HD       ARG  86  -2.258   3.332 -13.857
  662    HE   ARG  86           HE       ARG  86  -0.775   0.766 -14.282
  663   1HH1  ARG  86          2HH2      ARG  86  -0.595   4.288 -14.522
  664   2HH1  ARG  86          1HH2      ARG  86   0.725   4.274 -15.647
  665   1HH2  ARG  86          2HH1      ARG  86   0.914   0.710 -15.715
  666   2HH2  ARG  86          1HH1      ARG  86   1.634   2.126 -16.351
  667    H    GLY  87           H        GLY  87  -3.533   4.420  -7.919
  668   1HA   GLY  87          1HA       GLY  87  -6.246   3.510  -7.945
  669   2HA   GLY  87          2HA       GLY  87  -5.381   2.902  -6.521
  670    H    SER  88           H        SER  88  -7.137   4.285  -5.501
  671    HA   SER  88           HA       SER  88  -6.012   6.996  -5.028
  672   1HB   SER  88          1HB       SER  88  -8.946   6.203  -4.992
  673   2HB   SER  88          2HB       SER  88  -8.270   7.765  -4.502
  674    HG   SER  88           HG       SER  88  -8.583   8.242  -6.507
  675    H    ALA  89           H        ALA  89  -6.057   7.684  -2.857
  676    HA   ALA  89           HA       ALA  89  -5.983   5.468  -0.867
  677   1HB   ALA  89          1HB       ALA  89  -4.724   8.255  -0.969
  678   2HB   ALA  89          2HB       ALA  89  -4.618   7.169   0.421
  679   3HB   ALA  89          3HB       ALA  89  -3.888   6.690  -1.116
  680    H    ALA  90           H        ALA  90  -6.848   5.993   1.295
  681    HA   ALA  90           HA       ALA  90  -8.208   8.548   1.782
  682   1HB   ALA  90          2HB       ALA  90  -9.712   5.888   1.754
  683   2HB   ALA  90          3HB       ALA  90 -10.343   7.414   2.411
  684   3HB   ALA  90          1HB       ALA  90  -9.992   7.275   0.677
  685    H    PHE  91           H        PHE  91  -7.348   9.064   3.788
  686    HA   PHE  91           HA       PHE  91  -6.545   6.965   5.675
  687   1HB   PHE  91          1HB       PHE  91  -6.589   9.993   5.766
  688   2HB   PHE  91          2HB       PHE  91  -6.400   9.046   7.225
  689    HD1  PHE  91           HD1      PHE  91  -4.805   8.953   3.743
  690    HD2  PHE  91           HD2      PHE  91  -4.273   9.005   8.019
  691    HE1  PHE  91           HE1      PHE  91  -2.332   8.749   3.470
  692    HE2  PHE  91           HE2      PHE  91  -1.858   8.835   7.716
  693    HZ   PHE  91           HZ       PHE  91  -0.868   8.633   5.472
  694    H    ARG  92           H        ARG  92  -7.840   6.110   7.264
  695    HA   ARG  92           HA       ARG  92 -10.193   7.659   8.164
  696   1HB   ARG  92          1HB       ARG  92 -10.218   4.784   7.128
  697   2HB   ARG  92          2HB       ARG  92 -11.445   5.377   8.238
  698   1HG   ARG  92          1HG       ARG  92 -10.920   6.553   5.481
  699   2HG   ARG  92          2HG       ARG  92 -12.204   5.416   5.902
  700   1HD   ARG  92          1HD       ARG  92 -13.159   7.012   7.518
  701   2HD   ARG  92          2HD       ARG  92 -11.902   8.194   7.147
  702    HE   ARG  92           HE       ARG  92 -14.273   7.570   5.667
  703   1HH1  ARG  92          2HH2      ARG  92 -10.981   8.954   5.345
  704   2HH1  ARG  92          1HH2      ARG  92 -11.390  10.012   4.058
  705   1HH2  ARG  92          2HH1      ARG  92 -14.801   8.973   3.901
  706   2HH2  ARG  92          1HH1      ARG  92 -13.607   9.986   3.174
  707    H    THR  93           H        THR  93 -10.646   7.520  10.281
  708    HA   THR  93           HA       THR  93  -9.196   5.600  12.010
  709    HB   THR  93           HB       THR  93  -9.584   7.439  13.723
  710    HG1  THR  93           HG1      THR  93 -11.113   8.648  12.782
  711   1HG2  THR  93          1HG2      THR  93  -7.373   7.169  12.670
  712   2HG2  THR  93          2HG2      THR  93  -7.855   8.244  11.335
  713   3HG2  THR  93          3HG2      THR  93  -7.730   8.871  12.987
  714    H    ASP  94           H        ASP  94 -11.382   4.816  10.465
  715    HA   ASP  94           HA       ASP  94 -13.635   4.441  12.254
  716   1HB   ASP  94          1HB       ASP  94 -14.154   6.632  11.333
  717   2HB   ASP  94          2HB       ASP  94 -13.606   6.159   9.725
  718    H    GLY  95           H        GLY  95 -15.078   2.936  11.307
  719   1HA   GLY  95          1HA       GLY  95 -15.860   1.287  10.017
  720   2HA   GLY  95          2HA       GLY  95 -14.641   1.679   8.794
  721    HA   PRO  96           HA       PRO  96 -13.699  -2.539  10.659
  722   1HB   PRO  96          1HB       PRO  96 -13.932  -3.990   8.333
  723   2HB   PRO  96          2HB       PRO  96 -15.261  -3.711   9.500
  724   1HG   PRO  96          1HG       PRO  96 -14.656  -2.160   6.963
  725   2HG   PRO  96          2HG       PRO  96 -16.233  -2.826   7.507
  726   1HD   PRO  96          1HD       PRO  96 -15.605  -0.230   7.917
  727   2HD   PRO  96          2HD       PRO  96 -16.451  -1.160   9.191
  728    H    GLU  97           H        GLU  97 -12.616  -0.275   8.453
  729    HA   GLU  97           HA       GLU  97 -10.206  -1.465   7.470
  730   1HB   GLU  97          1HB       GLU  97 -10.785   1.482   7.800
  731   2HB   GLU  97          2HB       GLU  97  -9.629   0.708   6.725
  732   1HG   GLU  97          1HG       GLU  97 -12.679   0.540   6.570
  733   2HG   GLU  97          2HG       GLU  97 -11.612   1.548   5.637
  734    H    PHE  98           H        PHE  98 -10.980   1.077   9.868
  735    HA   PHE  98           HA       PHE  98  -8.435   1.098  11.130
  736   1HB   PHE  98          1HB       PHE  98 -10.155   2.956  10.967
  737   2HB   PHE  98          2HB       PHE  98 -11.052   2.129  12.238
  738    HD1  PHE  98           HD1      PHE  98  -7.418   3.028  11.581
  739    HD2  PHE  98           HD2      PHE  98 -10.759   3.239  14.306
  740    HE1  PHE  98           HE1      PHE  98  -6.006   4.234  13.229
  741    HE2  PHE  98           HE2      PHE  98  -9.352   4.475  15.921
  742    HZ   PHE  98           HZ       PHE  98  -6.964   4.963  15.390
  743    H    GLU  99           H        GLU  99 -11.467  -0.708  11.793
  744    HA   GLU  99           HA       GLU  99 -10.631  -1.752  14.301
  745   1HB   GLU  99          1HB       GLU  99 -12.369  -3.022  12.161
  746   2HB   GLU  99          2HB       GLU  99 -12.208  -3.625  13.800
  747   1HG   GLU  99          1HG       GLU  99 -13.335  -1.752  14.748
  748   2HG   GLU  99          2HG       GLU  99 -13.234  -0.818  13.255
  749    H    ALA 100           H        ALA 100 -10.381  -3.259  10.988
  750    HA   ALA 100           HA       ALA 100  -8.960  -5.512  12.020
  751   1HB   ALA 100          3HB       ALA 100  -9.283  -4.472   9.220
  752   2HB   ALA 100          1HB       ALA 100  -8.456  -6.011   9.630
  753   3HB   ALA 100          2HB       ALA 100 -10.172  -5.768  10.014
  754    H    ILE 101           H        ILE 101  -7.781  -2.307  11.020
  755    HA   ILE 101           HA       ILE 101  -5.008  -3.326  11.432
  756    HB   ILE 101           HB       ILE 101  -4.038  -1.389  10.774
  757   1HG1  ILE 101          1HG1      ILE 101  -5.482   0.587   9.980
  758   2HG1  ILE 101          2HG1      ILE 101  -6.657  -0.028  11.168
  759   1HG2  ILE 101          2HG2      ILE 101  -4.981  -2.826   9.013
  760   2HG2  ILE 101          3HG2      ILE 101  -6.397  -1.744   8.925
  761   3HG2  ILE 101          1HG2      ILE 101  -4.781  -1.140   8.524
  762   1HD1  ILE 101          1HD1      ILE 101  -3.788   0.751  11.798
  763   2HD1  ILE 101          2HD1      ILE 101  -5.172   1.848  11.948
  764   3HD1  ILE 101          3HD1      ILE 101  -5.085   0.416  12.973
  765    H    ALA 102           H        ALA 102  -7.448  -1.989  13.530
  766    HA   ALA 102           HA       ALA 102  -6.001  -0.792  15.513
  767   1HB   ALA 102          1HB       ALA 102  -8.480  -1.062  15.534
  768   2HB   ALA 102          2HB       ALA 102  -8.258  -2.762  16.026
  769   3HB   ALA 102          3HB       ALA 102  -7.710  -1.454  17.076
  770    H    ARG 103           H        ARG 103  -5.919  -4.161  14.684
  771    HA   ARG 103           HA       ARG 103  -4.772  -5.328  16.970
  772   1HB   ARG 103          1HB       ARG 103  -3.987  -7.064  15.538
  773   2HB   ARG 103          2HB       ARG 103  -5.515  -6.500  14.870
  774   1HG   ARG 103          1HG       ARG 103  -4.150  -5.118  13.184
  775   2HG   ARG 103          2HG       ARG 103  -2.703  -5.924  13.821
  776   1HD   ARG 103          1HD       ARG 103  -3.935  -8.142  13.342
  777   2HD   ARG 103          2HD       ARG 103  -5.081  -7.197  12.402
  778    HE   ARG 103           HE       ARG 103  -2.263  -7.831  11.817
  779   1HH1  ARG 103          2HH2      ARG 103  -5.051  -5.907  10.752
  780   2HH1  ARG 103          1HH2      ARG 103  -4.537  -5.855   9.094
  781   1HH2  ARG 103          2HH1      ARG 103  -1.646  -7.852   9.583
  782   2HH2  ARG 103          1HH1      ARG 103  -2.563  -7.043   8.392
  783    H    PHE 104           H        PHE 104  -3.279  -2.887  14.967
  784    HA   PHE 104           HA       PHE 104  -0.552  -3.573  15.867
  785   1HB   PHE 104          1HB       PHE 104  -1.615  -1.183  14.298
  786   2HB   PHE 104          2HB       PHE 104   0.090  -1.559  14.564
  787    HD1  PHE 104           HD1      PHE 104   0.671  -4.185  13.988
  788    HD2  PHE 104           HD2      PHE 104  -2.391  -1.790  12.160
  789    HE1  PHE 104           HE1      PHE 104   0.626  -5.734  12.060
  790    HE2  PHE 104           HE2      PHE 104  -2.460  -3.362  10.223
  791    HZ   PHE 104           HZ       PHE 104  -0.963  -5.327  10.192
  792    H    LYS 105           H        LYS 105   0.707  -1.453  16.808
  793    HA   LYS 105           HA       LYS 105  -1.019  -0.273  18.924
  794   1HB   LYS 105          1HB       LYS 105   0.163  -2.363  19.612
  795   2HB   LYS 105          2HB       LYS 105   1.721  -1.567  19.316
  796   1HG   LYS 105          1HG       LYS 105   1.332   0.015  21.080
  797   2HG   LYS 105          2HG       LYS 105  -0.395  -0.401  21.125
  798   1HD   LYS 105          1HD       LYS 105   0.301  -2.706  21.954
  799   2HD   LYS 105          2HD       LYS 105   1.953  -2.089  22.098
  800   1HE   LYS 105          1HE       LYS 105  -0.553  -1.065  23.515
  801   2HE   LYS 105          2HE       LYS 105   0.764  -1.977  24.261
  802   1HZ   LYS 105          1HZ       LYS 105   1.004   0.734  23.098
  803   2HZ   LYS 105          2HZ       LYS 105   0.923   0.393  24.703
  804   3HZ   LYS 105          3HZ       LYS 105   2.225  -0.098  23.824
  805    H    TRP 106           H        TRP 106   0.507   0.619  16.296
  806    HA   TRP 106           HA       TRP 106   1.640   3.117  17.440
  807   1HB   TRP 106          1HB       TRP 106   3.485   2.770  15.693
  808   2HB   TRP 106          2HB       TRP 106   3.529   1.809  17.150
  809    HD1  TRP 106           HD1      TRP 106   3.755  -0.689  16.907
  810    HE1  TRP 106           HE1      TRP 106   3.852  -2.364  14.961
  811    HE3  TRP 106           HE3      TRP 106   2.149   2.353  13.124
  812    HZ2  TRP 106           HZ2      TRP 106   3.355  -2.370  12.103
  813    HZ3  TRP 106           HZ3      TRP 106   2.042   1.505  10.792
  814    HH2  TRP 106           HH2      TRP 106   2.701  -0.832  10.286
  815    H    ALA 107           H        ALA 107  -0.879   2.163  15.719
  816    HA   ALA 107           HA       ALA 107  -0.450   3.465  13.162
  817   1HB   ALA 107          1HB       ALA 107  -1.852   1.434  13.365
  818   2HB   ALA 107          2HB       ALA 107  -2.971   2.314  14.441
  819   3HB   ALA 107          3HB       ALA 107  -2.785   2.812  12.749
  820    H    ARG 108           H        ARG 108  -1.500   5.343  12.429
  821    HA   ARG 108           HA       ARG 108  -2.688   7.179  14.486
  822   1HB   ARG 108          1HB       ARG 108  -0.594   7.646  12.719
  823   2HB   ARG 108          2HB       ARG 108  -1.903   7.893  11.638
  824   1HG   ARG 108          1HG       ARG 108  -1.913  10.029  12.255
  825   2HG   ARG 108          2HG       ARG 108  -2.774   9.492  13.697
  826   1HD   ARG 108          1HD       ARG 108   0.171  10.107  13.324
  827   2HD   ARG 108          2HD       ARG 108  -0.946  10.815  14.484
  828    HE   ARG 108           HE       ARG 108  -0.958   8.730  15.718
  829   1HH1  ARG 108          2HH2      ARG 108   1.860   9.131  13.568
  830   2HH1  ARG 108          1HH2      ARG 108   2.531   7.577  13.871
  831   1HH2  ARG 108          2HH1      ARG 108  -0.203   6.560  15.964
  832   2HH2  ARG 108          1HH1      ARG 108   1.304   6.068  15.300
  833    H    ALA 109           H        ALA 109  -3.241   5.389  11.562
  834    HA   ALA 109           HA       ALA 109  -6.071   5.750  11.378
  835   1HB   ALA 109          3HB       ALA 109  -5.268   7.992  10.459
  836   2HB   ALA 109          1HB       ALA 109  -4.324   7.120   9.267
  837   3HB   ALA 109          2HB       ALA 109  -6.064   6.978   9.227
  838    H    ALA 110           H        ALA 110  -6.846   4.680   9.427
  839    HA   ALA 110           HA       ALA 110  -5.186   2.428   8.456
  840   1HB   ALA 110          3HB       ALA 110  -8.203   3.059   8.374
  841   2HB   ALA 110          1HB       ALA 110  -7.460   1.681   7.582
  842   3HB   ALA 110          2HB       ALA 110  -7.419   1.799   9.346
  843    H    LEU 111           H        LEU 111  -4.018   3.173   6.718
  844    HA   LEU 111           HA       LEU 111  -5.052   5.239   4.867
  845   1HB   LEU 111          1HB       LEU 111  -2.737   5.408   5.419
  846   2HB   LEU 111          2HB       LEU 111  -2.440   3.698   5.142
  847    HG   LEU 111           HG       LEU 111  -2.600   3.920   2.771
  848   1HD1  LEU 111          1HD1      LEU 111  -3.689   6.700   3.269
  849   2HD1  LEU 111          2HD1      LEU 111  -3.034   6.184   1.707
  850   3HD1  LEU 111          3HD1      LEU 111  -4.459   5.383   2.391
  851   1HD2  LEU 111          2HD2      LEU 111  -0.480   4.642   3.799
  852   2HD2  LEU 111          3HD2      LEU 111  -0.808   5.542   2.310
  853   3HD2  LEU 111          1HD2      LEU 111  -1.078   6.313   3.884
  854    H    VAL 112           H        VAL 112  -6.833   4.319   3.960
  855    HA   VAL 112           HA       VAL 112  -6.846   1.557   2.980
  856    HB   VAL 112           HB       VAL 112  -8.881   3.850   2.875
  857   1HG1  VAL 112          3HG1      VAL 112  -9.153   0.921   2.185
  858   2HG1  VAL 112          1HG1      VAL 112 -10.528   2.022   2.438
  859   3HG1  VAL 112          2HG1      VAL 112  -9.396   2.311   1.108
  860   1HG2  VAL 112          2HG2      VAL 112  -8.424   3.091   5.211
  861   2HG2  VAL 112          3HG2      VAL 112 -10.051   2.737   4.667
  862   3HG2  VAL 112          1HG2      VAL 112  -8.838   1.432   4.716
  863    H    ILE 113           H        ILE 113  -6.334   1.051   0.828
  864    HA   ILE 113           HA       ILE 113  -6.325   3.281  -1.122
  865    HB   ILE 113           HB       ILE 113  -4.640   0.746  -1.144
  866   1HG1  ILE 113          1HG1      ILE 113  -3.689   2.079   0.600
  867   2HG1  ILE 113          2HG1      ILE 113  -2.707   2.256  -0.839
  868   1HG2  ILE 113          2HG2      ILE 113  -4.697   3.154  -3.018
  869   2HG2  ILE 113          3HG2      ILE 113  -3.429   1.915  -3.019
  870   3HG2  ILE 113          1HG2      ILE 113  -5.090   1.471  -3.405
  871   1HD1  ILE 113          3HD1      ILE 113  -3.961   4.424  -1.303
  872   2HD1  ILE 113          1HD1      ILE 113  -4.486   4.312   0.382
  873   3HD1  ILE 113          2HD1      ILE 113  -2.769   4.407   0.005
  874    H    THR 114           H        THR 114  -7.566   2.967  -2.866
  875    HA   THR 114           HA       THR 114  -8.890   0.308  -3.274
  876    HB   THR 114           HB       THR 114 -10.057   3.019  -4.002
  877    HG1  THR 114           HG1      THR 114  -9.894   2.763  -1.794
  878   1HG2  THR 114          1HG2      THR 114 -11.276   0.214  -3.832
  879   2HG2  THR 114          2HG2      THR 114 -12.145   1.712  -4.248
  880   3HG2  THR 114          3HG2      THR 114 -10.889   1.086  -5.329
  881    H    VAL 115           H        VAL 115  -7.609  -0.585  -4.731
  882    HA   VAL 115           HA       VAL 115  -5.950   0.835  -6.622
  883    HB   VAL 115           HB       VAL 115  -6.501  -2.098  -6.002
  884   1HG1  VAL 115          1HG1      VAL 115  -4.675  -0.995  -8.144
  885   2HG1  VAL 115          2HG1      VAL 115  -4.575  -2.642  -7.476
  886   3HG1  VAL 115          3HG1      VAL 115  -6.020  -2.129  -8.339
  887   1HG2  VAL 115          1HG2      VAL 115  -4.076  -0.311  -5.583
  888   2HG2  VAL 115          2HG2      VAL 115  -5.168  -0.930  -4.326
  889   3HG2  VAL 115          3HG2      VAL 115  -4.161  -2.053  -5.230
  890    H    VAL 116           H        VAL 116  -6.087   0.461  -8.869
  891    HA   VAL 116           HA       VAL 116  -8.804  -0.044  -9.984
  892    HB   VAL 116           HB       VAL 116  -6.632   1.891 -10.897
  893   1HG1  VAL 116          2HG1      VAL 116  -9.297   1.209 -12.218
  894   2HG1  VAL 116          3HG1      VAL 116  -8.215   2.533 -12.699
  895   3HG1  VAL 116          1HG1      VAL 116  -7.682   0.856 -12.872
  896   1HG2  VAL 116          1HG2      VAL 116  -8.042   2.738  -9.016
  897   2HG2  VAL 116          2HG2      VAL 116  -8.350   3.626 -10.511
  898   3HG2  VAL 116          3HG2      VAL 116  -9.497   2.388  -9.956
  899    H    SER 117           H        SER 117  -5.187  -0.160 -10.678
  900    HA   SER 117           HA       SER 117  -5.523  -2.955 -11.354
  901   1HB   SER 117          1HB       SER 117  -4.684  -0.936 -13.473
  902   2HB   SER 117          2HB       SER 117  -4.385  -2.680 -13.602
  903    HG   SER 117           HG       SER 117  -6.978  -1.998 -12.910
  904    H    ALA 118           H        ALA 118  -3.743  -4.128 -11.064
  905    HA   ALA 118           HA       ALA 118  -1.135  -2.936 -10.351
  906   1HB   ALA 118          1HB       ALA 118  -2.424  -5.618  -9.600
  907   2HB   ALA 118          2HB       ALA 118  -0.806  -5.087  -9.130
  908   3HB   ALA 118          3HB       ALA 118  -2.236  -4.254  -8.486
  909    H    GLU 119           H        GLU 119   0.590  -3.638 -11.651
  910    HA   GLU 119           HA       GLU 119   0.191  -5.839 -13.587
  911   1HB   GLU 119          1HB       GLU 119   1.026  -4.436 -15.370
  912   2HB   GLU 119          2HB       GLU 119  -0.388  -3.684 -14.639
  913   1HG   GLU 119          1HG       GLU 119   1.505  -2.418 -13.195
  914   2HG   GLU 119          2HG       GLU 119   2.494  -2.819 -14.583
  915    H    GLN 120           H        GLN 120   2.204  -7.020 -13.966
  916    HA   GLN 120           HA       GLN 120   4.134  -6.633 -11.782
  917   1HB   GLN 120          1HB       GLN 120   3.272  -8.909 -12.584
  918   2HB   GLN 120          2HB       GLN 120   4.282  -8.702 -14.011
  919   1HG   GLN 120          1HG       GLN 120   6.306  -8.642 -12.677
  920   2HG   GLN 120          2HG       GLN 120   5.385  -8.456 -11.181
  921   1HE2  GLN 120          2HE2      GLN 120   6.505 -11.969 -11.223
  922   2HE2  GLN 120          1HE2      GLN 120   7.280 -10.414 -11.073
  923    H    THR 121           H        THR 121   6.268  -5.880 -12.101
  924    HA   THR 121           HA       THR 121   6.858  -4.849 -14.827
  925    HB   THR 121           HB       THR 121   7.680  -2.770 -13.736
  926    HG1  THR 121           HG1      THR 121   7.746  -3.481 -11.578
  927   1HG2  THR 121          2HG2      THR 121   5.461  -3.004 -14.928
  928   2HG2  THR 121          3HG2      THR 121   4.703  -3.230 -13.342
  929   3HG2  THR 121          1HG2      THR 121   5.545  -1.711 -13.729
  930    H    LEU 122           H        LEU 122   8.453  -5.643 -11.678
  931    HA   LEU 122           HA       LEU 122  10.830  -6.277 -13.235
  932   1HB   LEU 122          1HB       LEU 122  12.278  -5.774 -11.341
  933   2HB   LEU 122          2HB       LEU 122  11.776  -4.402 -12.275
  934    HG   LEU 122           HG       LEU 122  12.003  -4.216  -9.729
  935   1HD1  LEU 122          2HD1      LEU 122  11.053  -2.439 -11.112
  936   2HD1  LEU 122          3HD1      LEU 122   9.454  -3.205 -11.041
  937   3HD1  LEU 122          1HD1      LEU 122  10.200  -2.554  -9.568
  938   1HD2  LEU 122          2HD2      LEU 122  10.738  -6.176  -9.082
  939   2HD2  LEU 122          3HD2      LEU 122  10.128  -4.693  -8.329
  940   3HD2  LEU 122          1HD2      LEU 122   9.252  -5.410  -9.699
  941    HN3  FMN 123           HN3      FMN 123   2.487   2.148   8.349
  942    H6   FMN 123           H6       FMN 123   7.962  -1.475   6.155
  943   1HM7  FMN 123          1HM7      FMN 123   9.648  -2.001   4.618
  944   2HM7  FMN 123          2HM7      FMN 123  10.633  -0.678   3.997
  945   3HM7  FMN 123          3HM7      FMN 123  11.236  -1.652   5.352
  946   1HM8  FMN 123          1HM8      FMN 123  11.567   1.515   4.534
  947   2HM8  FMN 123          2HM8      FMN 123  12.021   2.291   6.053
  948   3HM8  FMN 123          3HM8      FMN 123  12.391   0.575   5.808
  949    H9   FMN 123           H9       FMN 123  10.096   2.860   7.219
  950   1H1*  FMN 123          1H1*      FMN 123   7.854   4.096   9.720
  951   2H1*  FMN 123          2H1*      FMN 123   9.335   3.759   8.865
  952    H2*  FMN 123           H2*      FMN 123   8.860   5.814   8.242
  953   *HO2  FMN 123          *HO2      FMN 123   6.991   6.599   8.021
  954    H3*  FMN 123           H3*      FMN 123   7.986   3.926   6.113
  955   *HO3  FMN 123          *HO3      FMN 123   9.774   6.045   5.806
  956    H4*  FMN 123           H4*      FMN 123   6.433   5.370   5.345
  957   *HO4  FMN 123          *HO4      FMN 123   8.804   6.528   4.352
  958   1H5*  FMN 123          1H5*      FMN 123   6.908   7.947   5.067
  959   2H5*  FMN 123          2H5*      FMN 123   6.207   7.319   6.542
   
  No H/Q in entry =         959
  Start of MODEL   10
    1   1H    MET   1          2H        MET   1  -8.498  -3.649 -11.556
    2   2H    MET   1          3H        MET   1 -10.118  -3.885 -11.267
    3   3H    MET   1          1H        MET   1  -9.036  -3.870 -10.033
    4    HA   MET   1           HA       MET   1  -9.452  -6.078 -10.263
    5   1HB   MET   1          1HB       MET   1  -9.177  -5.676 -13.271
    6   2HB   MET   1          2HB       MET   1  -9.340  -7.234 -12.451
    7   1HG   MET   1          1HG       MET   1 -11.505  -6.683 -13.255
    8   2HG   MET   1          2HG       MET   1 -11.524  -6.497 -11.508
    9   1HE   MET   1          3HE       MET   1 -11.913  -4.848 -14.995
   10   2HE   MET   1          1HE       MET   1 -11.870  -3.107 -14.657
   11   3HE   MET   1          2HE       MET   1 -10.379  -4.064 -14.543
   12    H    LEU   2           H        LEU   2  -7.719  -7.695 -10.133
   13    HA   LEU   2           HA       LEU   2  -5.016  -6.647 -10.753
   14   1HB   LEU   2          1HB       LEU   2  -6.183  -7.645  -8.127
   15   2HB   LEU   2          2HB       LEU   2  -4.476  -7.802  -8.463
   16    HG   LEU   2           HG       LEU   2  -4.125  -5.436  -8.516
   17   1HD1  LEU   2          2HD1      LEU   2  -7.113  -5.217  -8.531
   18   2HD1  LEU   2          3HD1      LEU   2  -6.192  -3.995  -7.689
   19   3HD1  LEU   2          1HD1      LEU   2  -5.892  -4.260  -9.410
   20   1HD2  LEU   2          2HD2      LEU   2  -5.841  -6.323  -6.154
   21   2HD2  LEU   2          3HD2      LEU   2  -4.131  -6.555  -6.361
   22   3HD2  LEU   2          1HD2      LEU   2  -4.740  -4.917  -6.157
   23    HA   PRO   3           HA       PRO   3  -4.488 -10.944 -11.991
   24   1HB   PRO   3          1HB       PRO   3  -1.770 -11.300 -11.519
   25   2HB   PRO   3          2HB       PRO   3  -2.415 -10.395 -12.898
   26   1HG   PRO   3          1HG       PRO   3  -1.327  -9.310 -10.317
   27   2HG   PRO   3          2HG       PRO   3  -1.107  -8.688 -11.986
   28   1HD   PRO   3          1HD       PRO   3  -2.896  -7.619 -10.216
   29   2HD   PRO   3          2HD       PRO   3  -3.156  -7.618 -11.986
   30    H    GLY   4           H        GLY   4  -4.279 -13.040 -10.971
   31   1HA   GLY   4          1HA       GLY   4  -4.630 -13.288  -8.179
   32   2HA   GLY   4          2HA       GLY   4  -4.077 -14.580  -9.256
   33    H    THR   5           H        THR   5  -1.647 -13.419 -10.196
   34    HA   THR   5           HA       THR   5   0.264 -14.056  -8.370
   35    HB   THR   5           HB       THR   5   0.580 -11.903 -10.479
   36    HG1  THR   5           HG1      THR   5   0.649 -14.661 -11.041
   37   1HG2  THR   5          2HG2      THR   5   2.395 -14.212  -9.595
   38   2HG2  THR   5          3HG2      THR   5   2.759 -13.047 -10.887
   39   3HG2  THR   5          1HG2      THR   5   2.633 -12.500  -9.208
   40    H    PHE   6           H        PHE   6  -1.359 -10.812  -8.663
   41    HA   PHE   6           HA       PHE   6   0.402  -9.358  -6.961
   42   1HB   PHE   6          1HB       PHE   6  -1.464  -8.275  -8.138
   43   2HB   PHE   6          2HB       PHE   6  -2.635  -9.231  -7.243
   44    HD1  PHE   6           HD1      PHE   6  -2.834  -8.906  -4.654
   45    HD2  PHE   6           HD2      PHE   6  -0.971  -6.091  -7.347
   46    HE1  PHE   6           HE1      PHE   6  -3.059  -7.154  -2.966
   47    HE2  PHE   6           HE2      PHE   6  -1.266  -4.309  -5.636
   48    HZ   PHE   6           HZ       PHE   6  -2.253  -4.847  -3.429
   49    H    PHE   7           H        PHE   7  -2.429 -11.399  -6.149
   50    HA   PHE   7           HA       PHE   7  -2.296 -10.996  -3.333
   51   1HB   PHE   7          1HB       PHE   7  -3.585 -13.272  -4.893
   52   2HB   PHE   7          2HB       PHE   7  -3.864 -12.881  -3.209
   53    HD1  PHE   7           HD2      PHE   7  -4.331 -11.655  -6.697
   54    HD2  PHE   7           HD1      PHE   7  -5.429 -11.128  -2.567
   55    HE1  PHE   7           HE2      PHE   7  -6.119 -10.098  -7.385
   56    HE2  PHE   7           HE1      PHE   7  -7.241  -9.577  -3.258
   57    HZ   PHE   7           HZ       PHE   7  -7.587  -9.049  -5.654
   58    H    GLU   8           H        GLU   8  -1.156 -13.685  -5.444
   59    HA   GLU   8           HA       GLU   8  -0.030 -15.179  -3.338
   60   1HB   GLU   8          1HB       GLU   8   1.042 -15.131  -6.168
   61   2HB   GLU   8          2HB       GLU   8   1.228 -16.403  -4.959
   62   1HG   GLU   8          1HG       GLU   8  -1.211 -15.666  -6.568
   63   2HG   GLU   8          2HG       GLU   8  -0.433 -17.228  -6.398
   64    H    VAL   9           H        VAL   9   1.447 -12.407  -5.052
   65    HA   VAL   9           HA       VAL   9   3.994 -12.831  -3.705
   66    HB   VAL   9           HB       VAL   9   2.925 -10.456  -5.268
   67   1HG1  VAL   9          2HG1      VAL   9   5.755 -11.048  -4.297
   68   2HG1  VAL   9          3HG1      VAL   9   5.297  -9.712  -5.358
   69   3HG1  VAL   9          1HG1      VAL   9   4.728  -9.735  -3.678
   70   1HG2  VAL   9          3HG2      VAL   9   3.349 -12.553  -6.608
   71   2HG2  VAL   9          1HG2      VAL   9   4.514 -11.285  -6.995
   72   3HG2  VAL   9          2HG2      VAL   9   4.980 -12.635  -5.944
   73    H    LEU  10           H        LEU  10   1.081 -10.776  -3.018
   74    HA   LEU  10           HA       LEU  10   2.162  -9.607  -0.632
   75   1HB   LEU  10          1HB       LEU  10  -0.642 -10.100  -1.581
   76   2HB   LEU  10          2HB       LEU  10  -0.386  -9.604   0.068
   77    HG   LEU  10           HG       LEU  10  -0.952  -7.854  -1.777
   78   1HD1  LEU  10          2HD1      LEU  10  -0.499  -7.325   0.573
   79   2HD1  LEU  10          3HD1      LEU  10   1.249  -7.341   0.258
   80   3HD1  LEU  10          1HD1      LEU  10   0.214  -6.109  -0.495
   81   1HD2  LEU  10          2HD2      LEU  10   0.917  -8.310  -3.340
   82   2HD2  LEU  10          3HD2      LEU  10   0.930  -6.650  -2.726
   83   3HD2  LEU  10          1HD2      LEU  10   2.080  -7.835  -2.079
   84    H    LYS  11           H        LYS  11   0.528 -12.740  -1.108
   85    HA   LYS  11           HA       LYS  11   0.353 -13.532   1.611
   86   1HB   LYS  11          1HB       LYS  11   0.863 -15.146  -0.912
   87   2HB   LYS  11          2HB       LYS  11   0.702 -15.897   0.671
   88   1HG   LYS  11          1HG       LYS  11  -1.566 -15.104   0.939
   89   2HG   LYS  11          2HG       LYS  11  -1.464 -14.138  -0.544
   90   1HD   LYS  11          1HD       LYS  11  -1.113 -16.172  -1.868
   91   2HD   LYS  11          2HD       LYS  11  -1.209 -17.178  -0.424
   92   1HE   LYS  11          1HE       LYS  11  -3.510 -16.803  -0.151
   93   2HE   LYS  11          2HE       LYS  11  -3.490 -15.313  -1.120
   94   1HZ   LYS  11          1HZ       LYS  11  -2.764 -17.770  -2.509
   95   2HZ   LYS  11          2HZ       LYS  11  -4.393 -17.473  -2.226
   96   3HZ   LYS  11          3HZ       LYS  11  -3.393 -16.476  -3.077
   97    H    ASN  12           H        ASN  12   3.251 -12.933  -0.210
   98    HA   ASN  12           HA       ASN  12   4.880 -14.501   1.727
   99   1HB   ASN  12          1HB       ASN  12   5.529 -13.430  -1.053
  100   2HB   ASN  12          2HB       ASN  12   6.732 -14.015   0.087
  101   1HD2  ASN  12          2HD2      ASN  12   4.349 -16.791  -1.768
  102   2HD2  ASN  12          1HD2      ASN  12   3.797 -15.137  -1.825
  103    H    GLU  13           H        GLU  13   6.745 -13.339   2.619
  104    HA   GLU  13           HA       GLU  13   6.034 -10.654   3.359
  105   1HB   GLU  13          1HB       GLU  13   7.308 -12.357   4.770
  106   2HB   GLU  13          2HB       GLU  13   8.711 -12.111   3.726
  107   1HG   GLU  13          1HG       GLU  13   8.846 -10.784   5.818
  108   2HG   GLU  13          2HG       GLU  13   8.836  -9.746   4.395
  109    H    GLY  14           H        GLY  14   7.034  -8.677   2.856
  110   1HA   GLY  14          1HA       GLY  14   9.087  -8.363   0.881
  111   2HA   GLY  14          2HA       GLY  14   7.456  -8.316   0.160
  112    H    VAL  15           H        VAL  15   8.705  -6.079  -0.207
  113    HA   VAL  15           HA       VAL  15   7.737  -4.212   1.855
  114    HB   VAL  15           HB       VAL  15  10.259  -4.119   0.201
  115   1HG1  VAL  15          3HG1      VAL  15   8.877  -1.629   1.296
  116   2HG1  VAL  15          1HG1      VAL  15  10.532  -1.706   0.665
  117   3HG1  VAL  15          2HG1      VAL  15   9.168  -1.988  -0.418
  118   1HG2  VAL  15          3HG2      VAL  15  10.188  -4.810   2.654
  119   2HG2  VAL  15          1HG2      VAL  15  11.207  -3.376   2.348
  120   3HG2  VAL  15          2HG2      VAL  15   9.586  -3.214   3.034
  121    H    VAL  16           H        VAL  16   6.580  -2.536   1.070
  122    HA   VAL  16           HA       VAL  16   5.661  -2.508  -1.731
  123    HB   VAL  16           HB       VAL  16   4.124  -2.579   0.873
  124   1HG1  VAL  16          2HG1      VAL  16   3.235  -0.522  -0.187
  125   2HG1  VAL  16          3HG1      VAL  16   2.916  -1.423  -1.679
  126   3HG1  VAL  16          1HG1      VAL  16   2.051  -1.824  -0.189
  127   1HG2  VAL  16          3HG2      VAL  16   4.472  -4.605  -0.701
  128   2HG2  VAL  16          1HG2      VAL  16   2.839  -4.276  -0.133
  129   3HG2  VAL  16          2HG2      VAL  16   3.295  -3.796  -1.761
  130    H    ALA  17           H        ALA  17   5.028  -0.266  -2.305
  131    HA   ALA  17           HA       ALA  17   5.904   1.818  -0.460
  132   1HB   ALA  17          2HB       ALA  17   7.823   1.113  -2.127
  133   2HB   ALA  17          3HB       ALA  17   6.817   1.901  -3.345
  134   3HB   ALA  17          1HB       ALA  17   7.436   2.834  -1.975
  135    H    ILE  18           H        ILE  18   4.895   3.907  -1.043
  136    HA   ILE  18           HA       ILE  18   2.625   3.712  -2.945
  137    HB   ILE  18           HB       ILE  18   2.426   4.528  -0.031
  138   1HG1  ILE  18          1HG1      ILE  18   0.608   2.401  -1.096
  139   2HG1  ILE  18          2HG1      ILE  18   2.270   1.918  -0.863
  140   1HG2  ILE  18          1HG2      ILE  18   0.267   4.578  -2.174
  141   2HG2  ILE  18          2HG2      ILE  18   0.008   4.871  -0.438
  142   3HG2  ILE  18          3HG2      ILE  18   1.000   5.982  -1.368
  143   1HD1  ILE  18          1HD1      ILE  18   2.250   2.723   1.462
  144   2HD1  ILE  18          2HD1      ILE  18   0.521   3.111   1.285
  145   3HD1  ILE  18          3HD1      ILE  18   1.098   1.426   1.129
  146    H    ALA  19           H        ALA  19   2.852   5.550  -4.245
  147    HA   ALA  19           HA       ALA  19   4.376   7.877  -3.142
  148   1HB   ALA  19          3HB       ALA  19   4.877   6.952  -5.532
  149   2HB   ALA  19          1HB       ALA  19   3.344   7.739  -5.971
  150   3HB   ALA  19          2HB       ALA  19   4.655   8.693  -5.295
  151    H    THR  20           H        THR  20   3.029   8.980  -1.831
  152    HA   THR  20           HA       THR  20   0.214   9.188  -2.417
  153    HB   THR  20           HB       THR  20   1.782  10.782  -0.352
  154    HG1  THR  20           HG1      THR  20   2.186   9.092   0.709
  155   1HG2  THR  20          3HG2      THR  20  -0.765  11.066  -0.812
  156   2HG2  THR  20          1HG2      THR  20  -0.935   9.398  -0.250
  157   3HG2  THR  20          2HG2      THR  20  -0.308  10.655   0.836
  158    H    GLN  21           H        GLN  21  -0.479  10.816  -4.107
  159    HA   GLN  21           HA       GLN  21   1.333  13.086  -4.488
  160   1HB   GLN  21          1HB       GLN  21   0.206  12.191  -6.485
  161   2HB   GLN  21          2HB       GLN  21  -1.366  12.532  -5.752
  162   1HG   GLN  21          1HG       GLN  21  -0.738  14.239  -7.398
  163   2HG   GLN  21          2HG       GLN  21  -0.975  14.921  -5.810
  164   1HE2  GLN  21          2HE2      GLN  21   2.372  15.894  -7.659
  165   2HE2  GLN  21          1HE2      GLN  21   0.993  15.151  -8.447
  166    H    GLY  22           H        GLY  22   0.859  15.143  -3.874
  167   1HA   GLY  22          1HA       GLY  22  -1.484  15.558  -2.048
  168   2HA   GLY  22          2HA       GLY  22   0.120  16.145  -1.573
  169    H    GLU  23           H        GLU  23   1.194  17.292  -3.630
  170    HA   GLU  23           HA       GLU  23   0.082  18.804  -5.500
  171   1HB   GLU  23          1HB       GLU  23  -1.526  19.871  -4.316
  172   2HB   GLU  23          2HB       GLU  23  -0.568  20.141  -2.892
  173   1HG   GLU  23          1HG       GLU  23   0.057  21.475  -5.577
  174   2HG   GLU  23          2HG       GLU  23  -1.191  22.105  -4.490
  175    H    ASP  24           H        ASP  24   2.078  19.537  -2.613
  176    HA   ASP  24           HA       ASP  24   4.288  20.480  -4.193
  177   1HB   ASP  24          1HB       ASP  24   5.412  20.964  -2.207
  178   2HB   ASP  24          2HB       ASP  24   3.719  21.313  -1.882
  179    H    GLY  25           H        GLY  25   3.701  18.174  -5.208
  180   1HA   GLY  25          1HA       GLY  25   4.766  16.425  -6.185
  181   2HA   GLY  25          2HA       GLY  25   6.165  16.657  -5.135
  182    HA   PRO  26           HA       PRO  26   3.292  13.266  -3.700
  183   1HB   PRO  26          1HB       PRO  26   4.105  10.922  -4.948
  184   2HB   PRO  26          2HB       PRO  26   2.884  12.023  -5.622
  185   1HG   PRO  26          1HG       PRO  26   5.855  11.922  -6.242
  186   2HG   PRO  26          2HG       PRO  26   4.489  12.006  -7.403
  187   1HD   PRO  26          1HD       PRO  26   5.891  14.228  -6.626
  188   2HD   PRO  26          2HD       PRO  26   4.130  14.294  -6.949
  189    H    HIS  27           H        HIS  27   3.911  11.422  -2.254
  190    HA   HIS  27           HA       HIS  27   6.816  11.465  -1.536
  191   1HB   HIS  27          1HB       HIS  27   5.332  12.659   0.180
  192   2HB   HIS  27          2HB       HIS  27   4.611  11.110   0.504
  193    HD1  HIS  27           HD1      HIS  27   8.423  11.835  -0.065
  194    HD2  HIS  27           HD2      HIS  27   5.698  10.260   2.733
  195    HE1  HIS  27           HE1      HIS  27   9.804  10.581   1.666
  196    H    LEU  28           H        LEU  28   7.604   9.556  -2.293
  197    HA   LEU  28           HA       LEU  28   5.960   7.146  -2.288
  198   1HB   LEU  28          1HB       LEU  28   7.450   7.682  -4.159
  199   2HB   LEU  28          2HB       LEU  28   8.852   7.522  -3.101
  200    HG   LEU  28           HG       LEU  28   8.568   5.152  -2.904
  201   1HD1  LEU  28          3HD1      LEU  28   5.814   5.549  -4.120
  202   2HD1  LEU  28          1HD1      LEU  28   6.572   3.976  -3.967
  203   3HD1  LEU  28          2HD1      LEU  28   6.216   4.911  -2.506
  204   1HD2  LEU  28          2HD2      LEU  28   9.364   5.881  -5.174
  205   2HD2  LEU  28          3HD2      LEU  28   8.483   4.343  -5.224
  206   3HD2  LEU  28          1HD2      LEU  28   7.681   5.831  -5.754
  207    H    VAL  29           H        VAL  29   5.445   6.800  -0.159
  208    HA   VAL  29           HA       VAL  29   7.515   6.407   1.873
  209    HB   VAL  29           HB       VAL  29   5.679   5.723   3.320
  210   1HG1  VAL  29          3HG1      VAL  29   6.038   8.108   3.045
  211   2HG1  VAL  29          1HG1      VAL  29   4.870   8.166   1.713
  212   3HG1  VAL  29          2HG1      VAL  29   4.345   7.763   3.365
  213   1HG2  VAL  29          2HG2      VAL  29   4.224   4.513   1.642
  214   2HG2  VAL  29          3HG2      VAL  29   3.350   5.645   2.686
  215   3HG2  VAL  29          1HG2      VAL  29   3.720   6.111   1.032
  216    H    ASN  30           H        ASN  30   7.425   4.224   3.130
  217    HA   ASN  30           HA       ASN  30   7.093   1.918   1.287
  218   1HB   ASN  30          1HB       ASN  30   9.382   2.493   3.177
  219   2HB   ASN  30          2HB       ASN  30   8.952   0.836   2.788
  220   1HD2  ASN  30          2HD2      ASN  30   9.806   1.358  -0.757
  221   2HD2  ASN  30          1HD2      ASN  30   8.373   0.787   0.099
  222    H    THR  31           H        THR  31   6.820  -0.170   2.438
  223    HA   THR  31           HA       THR  31   6.082  -0.308   5.172
  224    HB   THR  31           HB       THR  31   4.090   0.875   4.343
  225    HG1  THR  31           HG1      THR  31   3.602  -0.347   5.987
  226   1HG2  THR  31          2HG2      THR  31   4.104  -0.055   1.989
  227   2HG2  THR  31          3HG2      THR  31   3.447  -1.565   2.680
  228   3HG2  THR  31          1HG2      THR  31   2.538  -0.047   2.802
  229    H    TRP  32           H        TRP  32   5.050  -2.613   5.470
  230    HA   TRP  32           HA       TRP  32   6.587  -4.559   3.816
  231   1HB   TRP  32          1HB       TRP  32   6.170  -4.473   6.827
  232   2HB   TRP  32          2HB       TRP  32   6.633  -5.928   5.962
  233    HD1  TRP  32           HD1      TRP  32   8.029  -2.547   6.963
  234    HE1  TRP  32           HE1      TRP  32  10.538  -2.476   6.565
  235    HE3  TRP  32           HE3      TRP  32   8.557  -7.126   4.825
  236    HZ2  TRP  32           HZ2      TRP  32  12.574  -4.241   5.397
  237    HZ3  TRP  32           HZ3      TRP  32  10.785  -7.987   4.177
  238    HH2  TRP  32           HH2      TRP  32  12.800  -6.541   4.369
  239    H    ASN  33           H        ASN  33   5.508  -6.509   3.307
  240    HA   ASN  33           HA       ASN  33   2.660  -6.433   3.122
  241   1HB   ASN  33          1HB       ASN  33   4.557  -8.812   3.000
  242   2HB   ASN  33          2HB       ASN  33   2.852  -8.845   2.558
  243   1HD2  ASN  33          2HD2      ASN  33   4.843  -8.404  -0.592
  244   2HD2  ASN  33          1HD2      ASN  33   4.558  -9.679   0.597
  245    H    SER  34           H        SER  34   4.902  -7.748   5.521
  246    HA   SER  34           HA       SER  34   3.477  -9.113   7.319
  247   1HB   SER  34          1HB       SER  34   5.956  -8.045   7.266
  248   2HB   SER  34          2HB       SER  34   5.214  -6.773   8.181
  249    HG   SER  34           HG       SER  34   5.632  -9.424   8.824
  250    H    TYR  35           H        TYR  35   2.953  -5.749   6.618
  251    HA   TYR  35           HA       TYR  35   1.340  -5.297   9.099
  252   1HB   TYR  35          1HB       TYR  35   2.648  -3.278   7.265
  253   2HB   TYR  35          2HB       TYR  35   1.869  -2.966   8.800
  254    HD1  TYR  35           HD2      TYR  35   3.390  -5.514  10.187
  255    HD2  TYR  35           HD1      TYR  35   4.535  -1.969   8.002
  256    HE1  TYR  35           HE2      TYR  35   5.562  -5.501  11.344
  257    HE2  TYR  35           HE1      TYR  35   6.692  -1.922   9.194
  258    HH   TYR  35           HH       TYR  35   8.054  -3.004  10.755
  259    H    LEU  36           H        LEU  36   0.860  -5.937   5.764
  260    HA   LEU  36           HA       LEU  36  -1.225  -3.818   5.478
  261   1HB   LEU  36          1HB       LEU  36  -0.112  -5.844   3.473
  262   2HB   LEU  36          2HB       LEU  36  -1.269  -4.564   3.106
  263    HG   LEU  36           HG       LEU  36   1.635  -4.212   3.900
  264   1HD1  LEU  36          3HD1      LEU  36   1.222  -4.870   1.570
  265   2HD1  LEU  36          1HD1      LEU  36   0.098  -3.500   1.371
  266   3HD1  LEU  36          2HD1      LEU  36   1.825  -3.213   1.691
  267   1HD2  LEU  36          2HD2      LEU  36  -0.578  -2.173   3.559
  268   2HD2  LEU  36          3HD2      LEU  36   0.481  -2.408   4.976
  269   3HD2  LEU  36          1HD2      LEU  36   1.154  -1.759   3.490
  270    H    LYS  37           H        LYS  37  -3.259  -4.413   4.364
  271    HA   LYS  37           HA       LYS  37  -4.029  -7.221   4.714
  272   1HB   LYS  37          1HB       LYS  37  -6.079  -6.857   5.743
  273   2HB   LYS  37          2HB       LYS  37  -4.846  -6.117   6.770
  274   1HG   LYS  37          1HG       LYS  37  -5.518  -3.903   6.114
  275   2HG   LYS  37          2HG       LYS  37  -6.579  -4.542   4.826
  276   1HD   LYS  37          1HD       LYS  37  -7.923  -5.716   6.580
  277   2HD   LYS  37          2HD       LYS  37  -6.964  -4.841   7.801
  278   1HE   LYS  37          1HE       LYS  37  -7.977  -2.795   7.314
  279   2HE   LYS  37          2HE       LYS  37  -8.158  -3.199   5.610
  280   1HZ   LYS  37          1HZ       LYS  37  -9.991  -4.752   6.357
  281   2HZ   LYS  37          2HZ       LYS  37  -9.988  -3.905   7.794
  282   3HZ   LYS  37          3HZ       LYS  37 -10.269  -3.149   6.379
  283    H    VAL  38           H        VAL  38  -5.254  -7.938   3.014
  284    HA   VAL  38           HA       VAL  38  -5.892  -6.000   0.851
  285    HB   VAL  38           HB       VAL  38  -5.198  -8.951   0.839
  286   1HG1  VAL  38          3HG1      VAL  38  -6.070  -7.206  -1.492
  287   2HG1  VAL  38          1HG1      VAL  38  -5.338  -8.813  -1.652
  288   3HG1  VAL  38          2HG1      VAL  38  -6.905  -8.627  -0.853
  289   1HG2  VAL  38          1HG2      VAL  38  -3.195  -7.597   1.043
  290   2HG2  VAL  38          2HG2      VAL  38  -3.275  -8.347  -0.549
  291   3HG2  VAL  38          3HG2      VAL  38  -3.673  -6.631  -0.360
  292    H    LEU  39           H        LEU  39  -8.118  -6.063   0.161
  293    HA   LEU  39           HA       LEU  39  -9.945  -7.861   1.637
  294   1HB   LEU  39          1HB       LEU  39 -10.475  -4.969   0.809
  295   2HB   LEU  39          2HB       LEU  39 -11.640  -6.086   1.477
  296    HG   LEU  39           HG       LEU  39 -10.109  -6.189   3.575
  297   1HD1  LEU  39          1HD1      LEU  39  -9.137  -3.645   2.212
  298   2HD1  LEU  39          2HD1      LEU  39  -9.029  -3.895   3.957
  299   3HD1  LEU  39          3HD1      LEU  39  -8.145  -4.963   2.860
  300   1HD2  LEU  39          2HD2      LEU  39 -12.380  -5.185   3.474
  301   2HD2  LEU  39          3HD2      LEU  39 -11.314  -4.240   4.513
  302   3HD2  LEU  39          1HD2      LEU  39 -11.680  -3.663   2.884
  303    H    ASP  40           H        ASP  40 -12.149  -7.651   0.282
  304    HA   ASP  40           HA       ASP  40 -11.625  -8.650  -2.357
  305   1HB   ASP  40          1HB       ASP  40 -13.422  -9.541  -0.901
  306   2HB   ASP  40          2HB       ASP  40 -14.237  -7.970  -0.958
  307    H    GLY  41           H        GLY  41 -13.231  -7.649  -4.104
  308   1HA   GLY  41          1HA       GLY  41 -13.368  -6.011  -5.712
  309   2HA   GLY  41          2HA       GLY  41 -13.713  -4.896  -4.375
  310    H    ASN  42           H        ASN  42 -10.754  -6.657  -4.437
  311    HA   ASN  42           HA       ASN  42  -8.616  -6.134  -4.415
  312   1HB   ASN  42          1HB       ASN  42  -7.604  -5.147  -6.254
  313   2HB   ASN  42          2HB       ASN  42  -8.928  -6.145  -6.828
  314   1HD2  ASN  42          2HD2      ASN  42  -9.252  -1.984  -7.216
  315   2HD2  ASN  42          1HD2      ASN  42  -8.556  -2.704  -5.788
  316    H    ARG  43           H        ARG  43 -10.391  -4.440  -2.729
  317    HA   ARG  43           HA       ARG  43  -9.045  -1.841  -2.525
  318   1HB   ARG  43          1HB       ARG  43 -11.431  -2.262  -2.033
  319   2HB   ARG  43          2HB       ARG  43 -10.989  -3.418  -0.779
  320   1HG   ARG  43          1HG       ARG  43 -10.033  -1.620   0.596
  321   2HG   ARG  43          2HG       ARG  43 -10.371  -0.430  -0.695
  322   1HD   ARG  43          1HD       ARG  43 -12.783  -0.962  -0.585
  323   2HD   ARG  43          2HD       ARG  43 -12.472  -2.237   0.592
  324    HE   ARG  43           HE       ARG  43 -11.982  -0.677   2.278
  325   1HH1  ARG  43          2HH2      ARG  43 -12.961   1.085  -0.643
  326   2HH1  ARG  43          1HH2      ARG  43 -13.649   2.404   0.231
  327   1HH2  ARG  43          2HH1      ARG  43 -12.727   0.892   3.353
  328   2HH2  ARG  43          1HH1      ARG  43 -13.540   2.319   2.720
  329    H    ILE  44           H        ILE  44  -7.255  -1.383  -1.081
  330    HA   ILE  44           HA       ILE  44  -6.234  -3.727   0.480
  331    HB   ILE  44           HB       ILE  44  -4.462  -1.630  -0.858
  332   1HG1  ILE  44          1HG1      ILE  44  -5.623  -2.675  -2.763
  333   2HG1  ILE  44          2HG1      ILE  44  -3.934  -3.066  -2.709
  334   1HG2  ILE  44          2HG2      ILE  44  -4.085  -4.475   0.226
  335   2HG2  ILE  44          3HG2      ILE  44  -2.821  -3.625  -0.668
  336   3HG2  ILE  44          1HG2      ILE  44  -3.391  -2.995   0.882
  337   1HD1  ILE  44          2HD1      ILE  44  -6.138  -4.968  -1.831
  338   2HD1  ILE  44          3HD1      ILE  44  -5.371  -4.954  -3.426
  339   3HD1  ILE  44          1HD1      ILE  44  -4.408  -5.344  -1.998
  340    H    VAL  45           H        VAL  45  -4.850  -2.854   2.402
  341    HA   VAL  45           HA       VAL  45  -5.320  -0.046   3.062
  342    HB   VAL  45           HB       VAL  45  -6.248  -2.297   4.844
  343   1HG1  VAL  45          1HG1      VAL  45  -6.353   0.703   5.340
  344   2HG1  VAL  45          2HG1      VAL  45  -7.108  -0.535   6.369
  345   3HG1  VAL  45          3HG1      VAL  45  -5.355  -0.471   6.227
  346   1HG2  VAL  45          1HG2      VAL  45  -7.916  -0.187   3.461
  347   2HG2  VAL  45          2HG2      VAL  45  -7.939  -1.914   3.134
  348   3HG2  VAL  45          3HG2      VAL  45  -8.521  -1.304   4.681
  349    H    VAL  46           H        VAL  46  -3.840   0.749   4.435
  350    HA   VAL  46           HA       VAL  46  -1.459  -0.854   5.134
  351    HB   VAL  46           HB       VAL  46  -1.728   1.968   4.021
  352   1HG1  VAL  46          3HG1      VAL  46   0.791   0.362   4.567
  353   2HG1  VAL  46          1HG1      VAL  46   0.726   1.934   3.740
  354   3HG1  VAL  46          2HG1      VAL  46   0.246   1.813   5.430
  355   1HG2  VAL  46          3HG2      VAL  46  -2.215   0.187   2.264
  356   2HG2  VAL  46          1HG2      VAL  46  -0.981   1.363   1.927
  357   3HG2  VAL  46          2HG2      VAL  46  -0.503  -0.271   2.413
  358    HA   PRO  47           HA       PRO  47  -2.359   1.453   8.999
  359   1HB   PRO  47          1HB       PRO  47  -0.378   0.536  10.585
  360   2HB   PRO  47          2HB       PRO  47  -1.744  -0.491  10.055
  361   1HG   PRO  47          1HG       PRO  47   1.018  -0.328   8.798
  362   2HG   PRO  47          2HG       PRO  47   0.129  -1.787   9.324
  363   1HD   PRO  47          1HD       PRO  47   0.157  -0.868   6.747
  364   2HD   PRO  47          2HD       PRO  47  -1.304  -1.641   7.446
  365    H    VAL  48           H        VAL  48  -2.004   3.596   8.802
  366    HA   VAL  48           HA       VAL  48   0.723   4.629   8.351
  367    HB   VAL  48           HB       VAL  48  -0.883   5.722   6.903
  368   1HG1  VAL  48          2HG1      VAL  48  -2.588   6.082   9.270
  369   2HG1  VAL  48          3HG1      VAL  48  -2.851   6.874   7.700
  370   3HG1  VAL  48          1HG1      VAL  48  -2.940   5.127   7.809
  371   1HG2  VAL  48          2HG2      VAL  48   0.806   7.110   8.377
  372   2HG2  VAL  48          3HG2      VAL  48  -0.451   7.968   7.486
  373   3HG2  VAL  48          1HG2      VAL  48  -0.652   7.670   9.215
  374    H    GLY  49           H        GLY  49   1.898   4.835  10.097
  375   1HA   GLY  49          1HA       GLY  49   0.659   5.732  12.664
  376   2HA   GLY  49          2HA       GLY  49   2.074   4.682  12.539
  377    H    GLY  50           H        GLY  50   3.237   6.319  10.182
  378   1HA   GLY  50          1HA       GLY  50   3.881   8.897  11.387
  379   2HA   GLY  50          2HA       GLY  50   5.125   7.641  11.334
  380    H    MET  51           H        MET  51   2.499   8.241   8.977
  381    HA   MET  51           HA       MET  51   4.509   8.956   6.907
  382   1HB   MET  51          1HB       MET  51   1.767   7.706   6.511
  383   2HB   MET  51          2HB       MET  51   2.900   8.146   5.251
  384   1HG   MET  51          1HG       MET  51   4.424   6.513   5.753
  385   2HG   MET  51          2HG       MET  51   3.782   6.226   7.368
  386   1HE   MET  51          2HE       MET  51   4.644   3.985   6.082
  387   2HE   MET  51          3HE       MET  51   3.525   2.952   5.154
  388   3HE   MET  51          1HE       MET  51   4.352   4.315   4.382
  389    H    HIS  52           H        HIS  52   4.486  11.076   7.784
  390    HA   HIS  52           HA       HIS  52   2.191  12.670   8.450
  391   1HB   HIS  52          1HB       HIS  52   5.101  13.495   8.019
  392   2HB   HIS  52          2HB       HIS  52   3.874  14.345   8.961
  393    HD1  HIS  52           HD1      HIS  52   6.129  11.297   9.008
  394    HD2  HIS  52           HD2      HIS  52   3.288  13.275  11.413
  395    HE1  HIS  52           HE1      HIS  52   6.315  10.257  11.367
  396    H    LYS  53           H        LYS  53   4.695  13.095   5.838
  397    HA   LYS  53           HA       LYS  53   3.274  15.292   4.581
  398   1HB   LYS  53          1HB       LYS  53   5.658  15.007   4.131
  399   2HB   LYS  53          2HB       LYS  53   5.385  13.390   3.464
  400   1HG   LYS  53          1HG       LYS  53   4.151  14.284   1.581
  401   2HG   LYS  53          2HG       LYS  53   4.126  15.913   2.276
  402   1HD   LYS  53          1HD       LYS  53   6.481  16.213   1.905
  403   2HD   LYS  53          2HD       LYS  53   6.717  14.491   1.606
  404   1HE   LYS  53          1HE       LYS  53   6.876  15.598  -0.502
  405   2HE   LYS  53          2HE       LYS  53   5.382  14.663  -0.497
  406   1HZ   LYS  53          2HZ       LYS  53   4.185  16.793  -0.120
  407   2HZ   LYS  53          3HZ       LYS  53   5.577  17.620  -0.146
  408   3HZ   LYS  53          1HZ       LYS  53   5.119  16.857  -1.469
  409    H    THR  54           H        THR  54   3.266  11.756   4.314
  410    HA   THR  54           HA       THR  54   1.395  11.649   2.149
  411    HB   THR  54           HB       THR  54   2.476   9.812   4.205
  412    HG1  THR  54           HG1      THR  54   3.617  10.460   2.435
  413   1HG2  THR  54          1HG2      THR  54   0.251   9.029   2.278
  414   2HG2  THR  54          2HG2      THR  54   1.400   7.879   2.986
  415   3HG2  THR  54          3HG2      THR  54   0.305   8.802   4.027
  416    H    GLU  55           H        GLU  55   0.768  11.775   5.727
  417    HA   GLU  55           HA       GLU  55  -2.033  11.469   5.603
  418   1HB   GLU  55          1HB       GLU  55  -0.521  11.362   7.587
  419   2HB   GLU  55          2HB       GLU  55  -0.310  13.100   7.537
  420   1HG   GLU  55          1HG       GLU  55  -2.535  13.504   8.253
  421   2HG   GLU  55          2HG       GLU  55  -3.046  11.851   7.908
  422    H    ALA  56           H        ALA  56  -0.057  14.435   5.490
  423    HA   ALA  56           HA       ALA  56  -2.251  16.208   4.951
  424   1HB   ALA  56          1HB       ALA  56  -0.029  17.012   5.682
  425   2HB   ALA  56          2HB       ALA  56   0.692  16.449   4.156
  426   3HB   ALA  56          3HB       ALA  56  -0.503  17.763   4.144
  427    H    ASN  57           H        ASN  57  -0.011  14.460   2.759
  428    HA   ASN  57           HA       ASN  57  -0.952  15.596   0.363
  429   1HB   ASN  57          1HB       ASN  57   0.452  12.997   0.976
  430   2HB   ASN  57          2HB       ASN  57  -0.063  13.341  -0.630
  431   1HD2  ASN  57          2HD2      ASN  57   3.176  14.620  -1.113
  432   2HD2  ASN  57          1HD2      ASN  57   2.223  13.158  -1.190
  433    H    VAL  58           H        VAL  58  -2.127  12.564   1.999
  434    HA   VAL  58           HA       VAL  58  -4.077  12.081  -0.045
  435    HB   VAL  58           HB       VAL  58  -4.121  11.137   2.858
  436   1HG1  VAL  58          1HG1      VAL  58  -5.731  10.270   0.411
  437   2HG1  VAL  58          2HG1      VAL  58  -5.704   9.399   1.960
  438   3HG1  VAL  58          3HG1      VAL  58  -6.378  11.034   1.875
  439   1HG2  VAL  58          2HG2      VAL  58  -3.155   9.887   0.252
  440   2HG2  VAL  58          3HG2      VAL  58  -2.241  10.134   1.763
  441   3HG2  VAL  58          1HG2      VAL  58  -3.506   8.920   1.694
  442    H    ALA  59           H        ALA  59  -4.225  13.915   3.083
  443    HA   ALA  59           HA       ALA  59  -6.971  14.577   2.818
  444   1HB   ALA  59          3HB       ALA  59  -5.637  14.971   4.867
  445   2HB   ALA  59          1HB       ALA  59  -4.756  16.274   4.038
  446   3HB   ALA  59          2HB       ALA  59  -6.497  16.431   4.331
  447    H    ARG  60           H        ARG  60  -4.183  15.963   1.060
  448    HA   ARG  60           HA       ARG  60  -5.873  18.141  -0.032
  449   1HB   ARG  60          1HB       ARG  60  -3.061  17.204  -0.703
  450   2HB   ARG  60          2HB       ARG  60  -3.808  18.659  -1.356
  451   1HG   ARG  60          1HG       ARG  60  -3.483  19.879   0.555
  452   2HG   ARG  60          2HG       ARG  60  -3.780  18.517   1.636
  453   1HD   ARG  60          1HD       ARG  60  -1.451  19.178   1.791
  454   2HD   ARG  60          2HD       ARG  60  -1.577  17.557   1.098
  455    HE   ARG  60           HE       ARG  60  -1.529  19.106  -1.114
  456   1HH1  ARG  60          2HH2      ARG  60   0.737  17.621   1.050
  457   2HH1  ARG  60          1HH2      ARG  60   2.078  18.590   0.548
  458   1HH2  ARG  60          2HH1      ARG  60   0.521  20.905  -1.423
  459   2HH2  ARG  60          1HH1      ARG  60   1.968  20.216  -0.774
  460    H    ASP  61           H        ASP  61  -4.125  15.327  -1.412
  461    HA   ASP  61           HA       ASP  61  -6.213  15.142  -3.539
  462   1HB   ASP  61          1HB       ASP  61  -4.257  16.377  -4.413
  463   2HB   ASP  61          2HB       ASP  61  -3.212  15.006  -4.010
  464    H    GLU  62           H        GLU  62  -6.933  13.153  -3.930
  465    HA   GLU  62           HA       GLU  62  -6.051  10.992  -2.219
  466   1HB   GLU  62          1HB       GLU  62  -7.934   9.722  -3.288
  467   2HB   GLU  62          2HB       GLU  62  -8.379  11.237  -2.519
  468   1HG   GLU  62          1HG       GLU  62  -9.310  12.004  -4.395
  469   2HG   GLU  62          2HG       GLU  62  -7.802  11.843  -5.263
  470    H    ARG  63           H        ARG  63  -4.946  11.824  -5.383
  471    HA   ARG  63           HA       ARG  63  -4.874   9.160  -6.517
  472   1HB   ARG  63          1HB       ARG  63  -3.277  11.663  -7.234
  473   2HB   ARG  63          2HB       ARG  63  -3.102  10.115  -8.054
  474   1HG   ARG  63          1HG       ARG  63  -4.545  11.301  -9.436
  475   2HG   ARG  63          2HG       ARG  63  -5.586  10.173  -8.565
  476   1HD   ARG  63          1HD       ARG  63  -5.440  12.552  -7.000
  477   2HD   ARG  63          2HD       ARG  63  -5.620  13.101  -8.657
  478    HE   ARG  63           HE       ARG  63  -7.433  10.959  -7.716
  479   1HH1  ARG  63          2HH2      ARG  63  -6.995  14.355  -7.209
  480   2HH1  ARG  63          1HH2      ARG  63  -8.641  14.811  -7.342
  481   1HH2  ARG  63          2HH1      ARG  63  -9.537  11.345  -7.582
  482   2HH2  ARG  63          1HH1      ARG  63 -10.246  12.932  -7.471
  483    H    VAL  64           H        VAL  64  -3.531   7.433  -6.025
  484    HA   VAL  64           HA       VAL  64  -0.810   8.183  -5.176
  485    HB   VAL  64           HB       VAL  64  -0.694   6.644  -3.399
  486   1HG1  VAL  64          1HG1      VAL  64  -1.746   8.943  -2.927
  487   2HG1  VAL  64          2HG1      VAL  64  -3.290   8.126  -2.876
  488   3HG1  VAL  64          3HG1      VAL  64  -2.020   7.681  -1.716
  489   1HG2  VAL  64          2HG2      VAL  64  -2.211   4.841  -4.127
  490   2HG2  VAL  64          3HG2      VAL  64  -2.627   5.381  -2.501
  491   3HG2  VAL  64          1HG2      VAL  64  -3.616   5.905  -3.883
  492    H    LEU  65           H        LEU  65   0.786   6.851  -5.680
  493    HA   LEU  65           HA       LEU  65   0.231   4.746  -7.752
  494   1HB   LEU  65          1HB       LEU  65   2.110   6.622  -7.996
  495   2HB   LEU  65          2HB       LEU  65   2.904   5.745  -6.690
  496    HG   LEU  65           HG       LEU  65   2.542   3.658  -8.373
  497   1HD1  LEU  65          2HD1      LEU  65   1.449   5.227 -10.058
  498   2HD1  LEU  65          3HD1      LEU  65   3.021   6.007 -10.253
  499   3HD1  LEU  65          1HD1      LEU  65   2.823   4.288 -10.674
  500   1HD2  LEU  65          3HD2      LEU  65   4.800   5.694  -8.532
  501   2HD2  LEU  65          1HD2      LEU  65   4.677   4.341  -7.387
  502   3HD2  LEU  65          2HD2      LEU  65   4.870   4.016  -9.113
  503    H    MET  66           H        MET  66   1.168   2.545  -7.184
  504    HA   MET  66           HA       MET  66   2.187   2.266  -4.440
  505   1HB   MET  66          1HB       MET  66  -0.272   1.988  -4.289
  506   2HB   MET  66          2HB       MET  66  -0.203   0.678  -5.450
  507   1HG   MET  66          1HG       MET  66   1.153  -0.646  -3.807
  508   2HG   MET  66          2HG       MET  66   1.046   0.715  -2.681
  509   1HE   MET  66          2HE       MET  66  -0.274  -0.210  -0.610
  510   2HE   MET  66          3HE       MET  66  -1.650  -1.315  -0.721
  511   3HE   MET  66          1HE       MET  66  -0.047  -1.867  -1.232
  512    H    THR  67           H        THR  67   3.779   0.596  -4.363
  513    HA   THR  67           HA       THR  67   4.104  -1.029  -6.808
  514    HB   THR  67           HB       THR  67   6.429  -0.798  -6.816
  515    HG1  THR  67           HG1      THR  67   7.529   0.451  -5.268
  516   1HG2  THR  67          1HG2      THR  67   5.264   1.218  -7.804
  517   2HG2  THR  67          2HG2      THR  67   5.496   2.060  -6.257
  518   3HG2  THR  67          3HG2      THR  67   6.899   1.559  -7.209
  519    H    LEU  68           H        LEU  68   4.486  -3.217  -6.257
  520    HA   LEU  68           HA       LEU  68   4.702  -3.802  -3.345
  521   1HB   LEU  68          1HB       LEU  68   3.221  -5.588  -3.366
  522   2HB   LEU  68          2HB       LEU  68   2.385  -4.338  -4.256
  523    HG   LEU  68           HG       LEU  68   3.564  -5.623  -6.345
  524   1HD1  LEU  68          3HD1      LEU  68   3.257  -7.765  -4.208
  525   2HD1  LEU  68          1HD1      LEU  68   3.219  -8.128  -5.934
  526   3HD1  LEU  68          2HD1      LEU  68   4.667  -7.434  -5.229
  527   1HD2  LEU  68          3HD2      LEU  68   1.136  -5.208  -6.038
  528   2HD2  LEU  68          1HD2      LEU  68   1.464  -6.814  -6.704
  529   3HD2  LEU  68          2HD2      LEU  68   1.032  -6.630  -4.999
  530    H    GLY  69           H        GLY  69   5.761  -5.891  -2.889
  531   1HA   GLY  69          1HA       GLY  69   6.997  -7.282  -5.031
  532   2HA   GLY  69          2HA       GLY  69   8.170  -6.255  -4.183
  533    H    SER  70           H        SER  70   8.812  -8.755  -4.040
  534    HA   SER  70           HA       SER  70   8.428  -9.413  -1.218
  535   1HB   SER  70          1HB       SER  70   6.680 -10.741  -2.307
  536   2HB   SER  70          2HB       SER  70   7.884 -11.433  -3.422
  537    HG   SER  70           HG       SER  70   7.674 -11.734  -0.602
  538    H    ARG  71           H        ARG  71   9.877 -11.270  -0.743
  539    HA   ARG  71           HA       ARG  71  12.485 -11.158  -2.193
  540   1HB   ARG  71          1HB       ARG  71  12.107 -11.363   0.830
  541   2HB   ARG  71          2HB       ARG  71  13.647 -11.427  -0.048
  542   1HG   ARG  71          1HG       ARG  71  13.162  -9.122  -0.965
  543   2HG   ARG  71          2HG       ARG  71  11.731  -9.053   0.075
  544   1HD   ARG  71          1HD       ARG  71  13.127  -9.167   2.077
  545   2HD   ARG  71          2HD       ARG  71  14.571  -9.414   1.085
  546    HE   ARG  71           HE       ARG  71  14.720  -7.199   0.701
  547   1HH1  ARG  71          2HH2      ARG  71  11.404  -7.797   1.785
  548   2HH1  ARG  71          1HH2      ARG  71  10.971  -6.142   1.916
  549   1HH2  ARG  71          2HH1      ARG  71  14.123  -4.942   0.764
  550   2HH2  ARG  71          1HH1      ARG  71  12.534  -4.489   1.236
  551    H    LYS  72           H        LYS  72   9.806 -13.048  -1.525
  552    HA   LYS  72           HA       LYS  72  11.340 -15.590  -1.432
  553   1HB   LYS  72          1HB       LYS  72   8.427 -14.948  -0.998
  554   2HB   LYS  72          2HB       LYS  72   9.049 -16.586  -1.059
  555   1HG   LYS  72          1HG       LYS  72   9.977 -14.509   0.992
  556   2HG   LYS  72          2HG       LYS  72   8.692 -15.675   1.238
  557   1HD   LYS  72          1HD       LYS  72  10.211 -17.014   2.088
  558   2HD   LYS  72          2HD       LYS  72  10.696 -17.391   0.453
  559   1HE   LYS  72          1HE       LYS  72  11.941 -15.107   2.068
  560   2HE   LYS  72          2HE       LYS  72  12.462 -16.779   2.261
  561   1HZ   LYS  72          2HZ       LYS  72  12.990 -16.789  -0.139
  562   2HZ   LYS  72          3HZ       LYS  72  12.722 -15.164  -0.205
  563   3HZ   LYS  72          1HZ       LYS  72  13.909 -15.750   0.736
  564    H    VAL  73           H        VAL  73  10.073 -13.566  -3.946
  565    HA   VAL  73           HA       VAL  73   9.832 -16.010  -5.604
  566    HB   VAL  73           HB       VAL  73   7.987 -13.602  -5.697
  567   1HG1  VAL  73          2HG1      VAL  73   8.357 -14.705  -7.901
  568   2HG1  VAL  73          3HG1      VAL  73   7.885 -16.265  -7.191
  569   3HG1  VAL  73          1HG1      VAL  73   6.706 -14.944  -7.325
  570   1HG2  VAL  73          3HG2      VAL  73   7.425 -16.398  -4.632
  571   2HG2  VAL  73          1HG2      VAL  73   7.372 -14.876  -3.714
  572   3HG2  VAL  73          2HG2      VAL  73   6.183 -15.176  -4.977
  573    H    ALA  74           H        ALA  74  10.903 -15.761  -7.528
  574    HA   ALA  74           HA       ALA  74  12.867 -13.623  -7.555
  575   1HB   ALA  74          2HB       ALA  74  13.568 -15.970  -7.965
  576   2HB   ALA  74          3HB       ALA  74  12.504 -16.030  -9.395
  577   3HB   ALA  74          1HB       ALA  74  13.902 -14.941  -9.375
  578    H    GLY  75           H        GLY  75  12.988 -11.919  -8.901
  579   1HA   GLY  75          1HA       GLY  75  11.032 -11.700 -11.131
  580   2HA   GLY  75          2HA       GLY  75  11.515 -10.340 -10.094
  581    H    ARG  76           H        ARG  76  12.541  -9.129 -11.521
  582    HA   ARG  76           HA       ARG  76  14.730 -10.174 -13.249
  583   1HB   ARG  76          1HB       ARG  76  13.311  -7.480 -12.972
  584   2HB   ARG  76          2HB       ARG  76  14.833  -7.628 -13.822
  585   1HG   ARG  76          1HG       ARG  76  12.829  -7.633 -15.298
  586   2HG   ARG  76          2HG       ARG  76  13.950  -8.965 -15.531
  587   1HD   ARG  76          1HD       ARG  76  11.627  -9.682 -15.752
  588   2HD   ARG  76          2HD       ARG  76  12.454 -10.525 -14.434
  589    HE   ARG  76           HE       ARG  76  11.178  -8.344 -13.232
  590   1HH1  ARG  76          2HH2      ARG  76  10.106 -11.272 -15.000
  591   2HH1  ARG  76          1HH2      ARG  76   8.663 -11.405 -14.022
  592   1HH2  ARG  76          2HH1      ARG  76   9.296  -8.626 -12.021
  593   2HH2  ARG  76          1HH1      ARG  76   8.287 -10.012 -12.289
  594    H    ASN  77           H        ASN  77  14.259  -7.631 -10.689
  595    HA   ASN  77           HA       ASN  77  17.177  -7.602 -10.293
  596   1HB   ASN  77          1HB       ASN  77  16.607  -6.073  -8.355
  597   2HB   ASN  77          2HB       ASN  77  16.309  -5.494  -9.980
  598   1HD2  ASN  77          2HD2      ASN  77  12.742  -6.437  -8.205
  599   2HD2  ASN  77          1HD2      ASN  77  13.986  -7.662  -8.152
  600    H    GLY  78           H        GLY  78  17.796  -9.591  -9.642
  601   1HA   GLY  78          1HA       GLY  78  18.379 -11.188  -8.095
  602   2HA   GLY  78          2HA       GLY  78  17.786 -10.092  -6.831
  603    HA   PRO  79           HA       PRO  79  14.780 -13.589  -7.037
  604   1HB   PRO  79          1HB       PRO  79  15.122 -14.743  -4.604
  605   2HB   PRO  79          2HB       PRO  79  16.249 -15.046  -5.963
  606   1HG   PRO  79          1HG       PRO  79  16.584 -13.041  -3.699
  607   2HG   PRO  79          2HG       PRO  79  17.763 -14.270  -4.261
  608   1HD   PRO  79          1HD       PRO  79  17.801 -11.655  -5.122
  609   2HD   PRO  79          2HD       PRO  79  18.301 -13.014  -6.174
  610    H    GLY  80           H        GLY  80  14.013 -11.104  -6.968
  611   1HA   GLY  80          1HA       GLY  80  11.913 -11.030  -4.915
  612   2HA   GLY  80          2HA       GLY  80  12.985  -9.618  -5.033
  613    H    THR  81           H        THR  81  10.108 -10.868  -6.149
  614    HA   THR  81           HA       THR  81  10.241  -9.144  -8.592
  615    HB   THR  81           HB       THR  81   9.776 -11.624  -8.880
  616    HG1  THR  81           HG1      THR  81   9.188  -9.725 -10.219
  617   1HG2  THR  81          3HG2      THR  81   8.140 -11.862  -6.993
  618   2HG2  THR  81          1HG2      THR  81   6.975 -10.918  -7.940
  619   3HG2  THR  81          2HG2      THR  81   7.559 -12.475  -8.559
  620    H    GLY  82           H        GLY  82   8.122  -8.068  -9.148
  621   1HA   GLY  82          1HA       GLY  82   6.251  -7.452  -7.019
  622   2HA   GLY  82          2HA       GLY  82   7.483  -6.215  -7.338
  623    H    PHE  83           H        PHE  83   5.348  -5.082  -7.724
  624    HA   PHE  83           HA       PHE  83   4.555  -5.191 -10.573
  625   1HB   PHE  83          1HB       PHE  83   2.591  -5.390  -8.238
  626   2HB   PHE  83          2HB       PHE  83   2.134  -4.980  -9.851
  627    HD1  PHE  83           HD1      PHE  83   3.957  -7.806  -8.068
  628    HD2  PHE  83           HD2      PHE  83   1.145  -6.637 -11.108
  629    HE1  PHE  83           HE1      PHE  83   3.811 -10.146  -8.833
  630    HE2  PHE  83           HE2      PHE  83   1.067  -8.979 -11.922
  631    HZ   PHE  83           HZ       PHE  83   2.427 -10.712 -10.817
  632    H    LEU  84           H        LEU  84   3.508  -3.334 -11.233
  633    HA   LEU  84           HA       LEU  84   3.933  -0.849  -9.625
  634   1HB   LEU  84          1HB       LEU  84   5.171  -0.997 -11.774
  635   2HB   LEU  84          2HB       LEU  84   3.666  -1.262 -12.645
  636    HG   LEU  84           HG       LEU  84   4.662   1.007 -12.817
  637   1HD1  LEU  84          2HD1      LEU  84   2.216   0.595 -13.186
  638   2HD1  LEU  84          3HD1      LEU  84   1.914   1.248 -11.559
  639   3HD1  LEU  84          1HD1      LEU  84   2.671   2.262 -12.792
  640   1HD2  LEU  84          1HD2      LEU  84   5.466   1.200 -10.462
  641   2HD2  LEU  84          2HD2      LEU  84   4.581   2.613 -11.049
  642   3HD2  LEU  84          3HD2      LEU  84   3.785   1.478  -9.942
  643    H    ILE  85           H        ILE  85   1.984   0.160  -8.957
  644    HA   ILE  85           HA       ILE  85  -0.531  -0.745 -10.201
  645    HB   ILE  85           HB       ILE  85  -0.061  -0.571  -7.193
  646   1HG1  ILE  85          1HG1      ILE  85  -0.336  -3.253  -7.427
  647   2HG1  ILE  85          2HG1      ILE  85   0.544  -2.958  -8.913
  648   1HG2  ILE  85          1HG2      ILE  85  -2.240  -1.887  -8.836
  649   2HG2  ILE  85          2HG2      ILE  85  -2.101  -2.011  -7.085
  650   3HG2  ILE  85          3HG2      ILE  85  -2.381  -0.444  -7.827
  651   1HD1  ILE  85          2HD1      ILE  85   1.388  -2.146  -6.093
  652   2HD1  ILE  85          3HD1      ILE  85   2.043  -3.492  -7.049
  653   3HD1  ILE  85          1HD1      ILE  85   2.314  -1.846  -7.580
  654    H    ARG  86           H        ARG  86  -2.376   0.802  -9.443
  655    HA   ARG  86           HA       ARG  86  -1.538   3.386  -8.332
  656   1HB   ARG  86          1HB       ARG  86  -3.104   3.288 -10.961
  657   2HB   ARG  86          2HB       ARG  86  -2.876   4.688  -9.941
  658   1HG   ARG  86          1HG       ARG  86  -1.071   5.249 -11.094
  659   2HG   ARG  86          2HG       ARG  86  -0.246   3.863 -10.402
  660   1HD   ARG  86          1HD       ARG  86  -1.698   4.017 -13.064
  661   2HD   ARG  86          2HD       ARG  86   0.037   3.762 -12.776
  662    HE   ARG  86           HE       ARG  86  -1.706   1.799 -11.544
  663   1HH1  ARG  86          2HH2      ARG  86   0.161   2.422 -14.581
  664   2HH1  ARG  86          1HH2      ARG  86   0.243   0.691 -14.871
  665   1HH2  ARG  86          2HH1      ARG  86  -1.673  -0.377 -12.200
  666   2HH2  ARG  86          1HH1      ARG  86  -0.870  -0.800 -13.670
  667    H    GLY  87           H        GLY  87  -3.306   4.466  -7.302
  668   1HA   GLY  87          1HA       GLY  87  -6.004   3.452  -7.531
  669   2HA   GLY  87          2HA       GLY  87  -5.217   3.014  -5.999
  670    H    SER  88           H        SER  88  -7.251   4.422  -5.484
  671    HA   SER  88           HA       SER  88  -6.356   7.228  -5.023
  672   1HB   SER  88          1HB       SER  88  -9.143   6.025  -5.232
  673   2HB   SER  88          2HB       SER  88  -8.787   7.685  -4.738
  674    HG   SER  88           HG       SER  88  -8.499   8.207  -6.723
  675    H    ALA  89           H        ALA  89  -6.082   7.793  -2.906
  676    HA   ALA  89           HA       ALA  89  -6.293   5.656  -0.886
  677   1HB   ALA  89          1HB       ALA  89  -4.813   8.309  -1.015
  678   2HB   ALA  89          2HB       ALA  89  -4.844   7.277   0.417
  679   3HB   ALA  89          3HB       ALA  89  -4.123   6.662  -1.081
  680    H    ALA  90           H        ALA  90  -7.071   6.105   1.240
  681    HA   ALA  90           HA       ALA  90  -8.388   8.649   1.853
  682   1HB   ALA  90          3HB       ALA  90  -9.964   6.028   1.725
  683   2HB   ALA  90          1HB       ALA  90 -10.548   7.549   2.438
  684   3HB   ALA  90          2HB       ALA  90 -10.214   7.460   0.697
  685    H    PHE  91           H        PHE  91  -7.781   9.050   3.965
  686    HA   PHE  91           HA       PHE  91  -6.786   6.861   5.667
  687   1HB   PHE  91          1HB       PHE  91  -7.044   9.863   6.008
  688   2HB   PHE  91          2HB       PHE  91  -6.780   8.808   7.380
  689    HD1  PHE  91           HD1      PHE  91  -5.121   8.453   3.970
  690    HD2  PHE  91           HD2      PHE  91  -4.702   9.525   8.140
  691    HE1  PHE  91           HE1      PHE  91  -2.649   8.530   3.735
  692    HE2  PHE  91           HE2      PHE  91  -2.265   9.552   7.875
  693    HZ   PHE  91           HZ       PHE  91  -1.231   9.062   5.673
  694    H    ARG  92           H        ARG  92  -7.930   5.924   7.311
  695    HA   ARG  92           HA       ARG  92 -10.464   7.156   8.225
  696   1HB   ARG  92          1HB       ARG  92 -10.081   4.351   7.138
  697   2HB   ARG  92          2HB       ARG  92 -11.295   4.656   8.369
  698   1HG   ARG  92          1HG       ARG  92 -11.229   6.237   5.775
  699   2HG   ARG  92          2HG       ARG  92 -12.101   4.712   5.950
  700   1HD   ARG  92          1HD       ARG  92 -13.580   5.544   7.576
  701   2HD   ARG  92          2HD       ARG  92 -12.569   6.932   7.964
  702    HE   ARG  92           HE       ARG  92 -13.034   7.633   5.551
  703   1HH1  ARG  92          2HH2      ARG  92 -15.525   6.199   7.802
  704   2HH1  ARG  92          1HH2      ARG  92 -16.778   7.117   7.169
  705   1HH2  ARG  92          2HH1      ARG  92 -14.801   8.852   4.737
  706   2HH2  ARG  92          1HH1      ARG  92 -16.387   8.647   5.385
  707    H    THR  93           H        THR  93 -10.796   7.050  10.353
  708    HA   THR  93           HA       THR  93  -9.211   5.274  12.116
  709    HB   THR  93           HB       THR  93  -9.597   7.156  13.777
  710    HG1  THR  93           HG1      THR  93 -11.179   8.309  12.863
  711   1HG2  THR  93          2HG2      THR  93  -7.424   6.890  12.622
  712   2HG2  THR  93          3HG2      THR  93  -7.981   7.958  11.312
  713   3HG2  THR  93          1HG2      THR  93  -7.793   8.587  12.959
  714    H    ASP  94           H        ASP  94 -11.389   4.428  10.627
  715    HA   ASP  94           HA       ASP  94 -13.641   4.009  12.408
  716   1HB   ASP  94          1HB       ASP  94 -14.173   6.176  11.454
  717   2HB   ASP  94          2HB       ASP  94 -13.579   5.706   9.867
  718    H    GLY  95           H        GLY  95 -14.940   2.328  11.594
  719   1HA   GLY  95          1HA       GLY  95 -15.686   0.679  10.268
  720   2HA   GLY  95          2HA       GLY  95 -14.571   1.197   8.993
  721    HA   PRO  96           HA       PRO  96 -13.264  -3.008  10.669
  722   1HB   PRO  96          1HB       PRO  96 -13.409  -4.334   8.257
  723   2HB   PRO  96          2HB       PRO  96 -14.712  -4.253   9.480
  724   1HG   PRO  96          1HG       PRO  96 -14.349  -2.510   7.025
  725   2HG   PRO  96          2HG       PRO  96 -15.838  -3.342   7.586
  726   1HD   PRO  96          1HD       PRO  96 -15.433  -0.732   8.122
  727   2HD   PRO  96          2HD       PRO  96 -16.121  -1.802   9.381
  728    H    GLU  97           H        GLU  97 -12.326  -0.564   8.608
  729    HA   GLU  97           HA       GLU  97  -9.812  -1.517   7.547
  730   1HB   GLU  97          1HB       GLU  97 -10.680   1.338   7.941
  731   2HB   GLU  97          2HB       GLU  97  -9.471   0.690   6.831
  732   1HG   GLU  97          1HG       GLU  97 -12.500   0.282   6.700
  733   2HG   GLU  97          2HG       GLU  97 -11.508   1.332   5.720
  734    H    PHE  98           H        PHE  98 -10.740   0.899  10.026
  735    HA   PHE  98           HA       PHE  98  -8.184   0.963  11.268
  736   1HB   PHE  98          1HB       PHE  98  -9.980   2.751  11.202
  737   2HB   PHE  98          2HB       PHE  98 -10.806   1.850  12.472
  738    HD1  PHE  98           HD1      PHE  98  -7.308   3.055  11.647
  739    HD2  PHE  98           HD2      PHE  98 -10.388   2.702  14.652
  740    HE1  PHE  98           HE1      PHE  98  -5.858   4.233  13.283
  741    HE2  PHE  98           HE2      PHE  98  -8.941   3.902  16.262
  742    HZ   PHE  98           HZ       PHE  98  -6.664   4.660  15.581
  743    H    GLU  99           H        GLU  99 -11.147  -0.957  11.894
  744    HA   GLU  99           HA       GLU  99 -10.301  -2.039  14.380
  745   1HB   GLU  99          1HB       GLU  99 -11.968  -3.314  12.200
  746   2HB   GLU  99          2HB       GLU  99 -11.851  -3.924  13.837
  747   1HG   GLU  99          1HG       GLU  99 -13.148  -2.209  14.754
  748   2HG   GLU  99          2HG       GLU  99 -12.852  -1.105  13.415
  749    H    ALA 100           H        ALA 100  -9.974  -3.424  11.017
  750    HA   ALA 100           HA       ALA 100  -8.516  -5.701  11.941
  751   1HB   ALA 100          3HB       ALA 100  -9.672  -5.679   9.805
  752   2HB   ALA 100          1HB       ALA 100  -8.588  -4.385   9.238
  753   3HB   ALA 100          2HB       ALA 100  -7.944  -6.024   9.570
  754    H    ILE 101           H        ILE 101  -7.405  -2.415  11.052
  755    HA   ILE 101           HA       ILE 101  -4.632  -3.305  11.379
  756    HB   ILE 101           HB       ILE 101  -3.773  -1.295  10.797
  757   1HG1  ILE 101          1HG1      ILE 101  -5.393   0.592  10.056
  758   2HG1  ILE 101          2HG1      ILE 101  -6.452  -0.124  11.300
  759   1HG2  ILE 101          3HG2      ILE 101  -4.648  -2.755   9.010
  760   2HG2  ILE 101          1HG2      ILE 101  -6.127  -1.772   8.959
  761   3HG2  ILE 101          2HG2      ILE 101  -4.562  -1.047   8.554
  762   1HD1  ILE 101          3HD1      ILE 101  -3.613   0.851  11.735
  763   2HD1  ILE 101          1HD1      ILE 101  -5.062   1.818  12.067
  764   3HD1  ILE 101          2HD1      ILE 101  -4.759   0.350  13.006
  765    H    ALA 102           H        ALA 102  -7.069  -2.214  13.603
  766    HA   ALA 102           HA       ALA 102  -5.614  -1.191  15.674
  767   1HB   ALA 102          2HB       ALA 102  -8.091  -1.608  15.689
  768   2HB   ALA 102          3HB       ALA 102  -7.743  -3.314  16.085
  769   3HB   ALA 102          1HB       ALA 102  -7.252  -2.030  17.193
  770    H    ARG 103           H        ARG 103  -5.367  -4.435  14.440
  771    HA   ARG 103           HA       ARG 103  -4.116  -5.880  16.490
  772   1HB   ARG 103          1HB       ARG 103  -3.020  -7.161  14.698
  773   2HB   ARG 103          2HB       ARG 103  -4.679  -6.776  14.233
  774   1HG   ARG 103          1HG       ARG 103  -3.773  -4.829  12.893
  775   2HG   ARG 103          2HG       ARG 103  -2.145  -5.372  13.236
  776   1HD   ARG 103          1HD       ARG 103  -4.103  -7.280  11.933
  777   2HD   ARG 103          2HD       ARG 103  -3.406  -5.957  10.999
  778    HE   ARG 103           HE       ARG 103  -1.584  -7.717  12.507
  779   1HH1  ARG 103          2HH2      ARG 103  -2.795  -6.796   9.288
  780   2HH1  ARG 103          1HH2      ARG 103  -1.419  -7.354   8.422
  781   1HH2  ARG 103          2HH1      ARG 103   0.298  -8.435  11.376
  782   2HH2  ARG 103          1HH1      ARG 103   0.497  -8.121   9.711
  783    H    PHE 104           H        PHE 104  -2.796  -3.057  14.830
  784    HA   PHE 104           HA       PHE 104  -0.034  -3.595  15.698
  785   1HB   PHE 104          1HB       PHE 104  -1.249  -1.144  14.354
  786   2HB   PHE 104          2HB       PHE 104   0.473  -1.480  14.543
  787    HD1  PHE 104           HD2      PHE 104   1.114  -4.026  13.683
  788    HD2  PHE 104           HD1      PHE 104  -2.040  -1.521  12.172
  789    HE1  PHE 104           HE2      PHE 104   1.011  -5.406  11.630
  790    HE2  PHE 104           HE1      PHE 104  -2.191  -2.960  10.134
  791    HZ   PHE 104           HZ       PHE 104  -0.704  -4.893   9.887
  792    H    LYS 105           H        LYS 105   1.071  -1.468  16.867
  793    HA   LYS 105           HA       LYS 105  -0.840  -0.270  18.750
  794   1HB   LYS 105          1HB       LYS 105   0.097  -2.377  19.649
  795   2HB   LYS 105          2HB       LYS 105   1.731  -1.721  19.487
  796   1HG   LYS 105          1HG       LYS 105   1.562  -0.554  21.339
  797   2HG   LYS 105          2HG       LYS 105  -0.008   0.143  20.942
  798   1HD   LYS 105          1HD       LYS 105  -0.252  -1.067  22.999
  799   2HD   LYS 105          2HD       LYS 105  -1.193  -1.832  21.709
  800   1HE   LYS 105          1HE       LYS 105   0.695  -3.496  21.415
  801   2HE   LYS 105          2HE       LYS 105   1.491  -2.773  22.823
  802   1HZ   LYS 105          1HZ       LYS 105  -0.463  -3.379  24.130
  803   2HZ   LYS 105          2HZ       LYS 105  -1.183  -4.043  22.809
  804   3HZ   LYS 105          3HZ       LYS 105   0.186  -4.716  23.421
  805    H    TRP 106           H        TRP 106   0.740   0.564  16.286
  806    HA   TRP 106           HA       TRP 106   1.912   3.032  17.439
  807   1HB   TRP 106          1HB       TRP 106   3.699   2.758  15.628
  808   2HB   TRP 106          2HB       TRP 106   3.816   1.722  17.031
  809    HD1  TRP 106           HD1      TRP 106   4.024  -0.765  16.646
  810    HE1  TRP 106           HE1      TRP 106   4.035  -2.337  14.602
  811    HE3  TRP 106           HE3      TRP 106   2.294   2.486  13.095
  812    HZ2  TRP 106           HZ2      TRP 106   3.361  -2.194  11.777
  813    HZ3  TRP 106           HZ3      TRP 106   1.949   1.766  10.785
  814    HH2  TRP 106           HH2      TRP 106   2.632  -0.570  10.093
  815    H    ALA 107           H        ALA 107  -0.668   2.016  15.838
  816    HA   ALA 107           HA       ALA 107  -0.344   3.428  13.282
  817   1HB   ALA 107          3HB       ALA 107  -1.529   1.261  13.304
  818   2HB   ALA 107          1HB       ALA 107  -2.707   1.912  14.479
  819   3HB   ALA 107          2HB       ALA 107  -2.609   2.595  12.845
  820    H    ARG 108           H        ARG 108  -1.593   5.152  12.691
  821    HA   ARG 108           HA       ARG 108  -3.092   6.679  14.751
  822   1HB   ARG 108          1HB       ARG 108  -1.051   7.814  14.273
  823   2HB   ARG 108          2HB       ARG 108  -1.199   7.537  12.529
  824   1HG   ARG 108          1HG       ARG 108  -2.966   9.131  12.310
  825   2HG   ARG 108          2HG       ARG 108  -3.139   9.306  14.057
  826   1HD   ARG 108          1HD       ARG 108  -1.763  11.013  12.426
  827   2HD   ARG 108          2HD       ARG 108  -1.539  10.878  14.162
  828    HE   ARG 108           HE       ARG 108   0.237   9.098  13.505
  829   1HH1  ARG 108          2HH2      ARG 108  -0.319  12.011  11.506
  830   2HH1  ARG 108          1HH2      ARG 108   1.332  12.343  11.299
  831   1HH2  ARG 108          2HH1      ARG 108   2.399   9.398  13.062
  832   2HH2  ARG 108          1HH1      ARG 108   2.986  10.849  12.314
  833    H    ALA 109           H        ALA 109  -3.106   5.216  11.597
  834    HA   ALA 109           HA       ALA 109  -5.956   5.657  11.238
  835   1HB   ALA 109          2HB       ALA 109  -3.968   7.487   9.969
  836   2HB   ALA 109          3HB       ALA 109  -5.023   6.689   8.801
  837   3HB   ALA 109          1HB       ALA 109  -5.709   7.649  10.121
  838    H    ALA 110           H        ALA 110  -6.708   4.656   9.292
  839    HA   ALA 110           HA       ALA 110  -5.091   2.390   8.276
  840   1HB   ALA 110          2HB       ALA 110  -7.255   1.794   9.390
  841   2HB   ALA 110          3HB       ALA 110  -8.118   2.874   8.281
  842   3HB   ALA 110          1HB       ALA 110  -7.281   1.447   7.652
  843    H    LEU 111           H        LEU 111  -4.066   3.150   6.513
  844    HA   LEU 111           HA       LEU 111  -5.185   5.204   4.716
  845   1HB   LEU 111          1HB       LEU 111  -2.884   5.430   5.196
  846   2HB   LEU 111          2HB       LEU 111  -2.539   3.730   4.967
  847    HG   LEU 111           HG       LEU 111  -2.714   3.904   2.585
  848   1HD1  LEU 111          3HD1      LEU 111  -3.775   6.721   2.958
  849   2HD1  LEU 111          1HD1      LEU 111  -3.191   6.053   1.423
  850   3HD1  LEU 111          2HD1      LEU 111  -4.606   5.350   2.206
  851   1HD2  LEU 111          3HD2      LEU 111  -0.612   4.677   3.616
  852   2HD2  LEU 111          1HD2      LEU 111  -0.940   5.524   2.096
  853   3HD2  LEU 111          2HD2      LEU 111  -1.229   6.341   3.645
  854    H    VAL 112           H        VAL 112  -6.955   4.285   3.819
  855    HA   VAL 112           HA       VAL 112  -6.965   1.557   2.748
  856    HB   VAL 112           HB       VAL 112  -8.985   3.846   2.528
  857   1HG1  VAL 112          2HG1      VAL 112  -9.267   2.064   0.817
  858   2HG1  VAL 112          3HG1      VAL 112  -9.442   0.866   2.119
  859   3HG1  VAL 112          1HG1      VAL 112 -10.608   2.197   1.943
  860   1HG2  VAL 112          3HG2      VAL 112  -8.959   1.576   4.560
  861   2HG2  VAL 112          1HG2      VAL 112  -8.738   3.305   4.905
  862   3HG2  VAL 112          2HG2      VAL 112 -10.286   2.729   4.300
  863    H    ILE 113           H        ILE 113  -6.517   1.134   0.577
  864    HA   ILE 113           HA       ILE 113  -6.338   3.493  -1.230
  865    HB   ILE 113           HB       ILE 113  -4.460   1.091  -1.198
  866   1HG1  ILE 113          1HG1      ILE 113  -3.900   4.053  -0.656
  867   2HG1  ILE 113          2HG1      ILE 113  -3.981   2.799   0.578
  868   1HG2  ILE 113          2HG2      ILE 113  -5.014   1.840  -3.507
  869   2HG2  ILE 113          3HG2      ILE 113  -4.563   3.504  -3.077
  870   3HG2  ILE 113          1HG2      ILE 113  -3.343   2.210  -3.115
  871   1HD1  ILE 113          1HD1      ILE 113  -2.072   1.613  -0.494
  872   2HD1  ILE 113          2HD1      ILE 113  -1.882   3.001  -1.597
  873   3HD1  ILE 113          3HD1      ILE 113  -1.691   3.222   0.147
  874    H    THR 114           H        THR 114  -7.708   3.278  -2.861
  875    HA   THR 114           HA       THR 114  -9.013   0.666  -3.397
  876    HB   THR 114           HB       THR 114  -9.824   3.465  -4.290
  877    HG1  THR 114           HG1      THR 114 -10.058   3.476  -2.163
  878   1HG2  THR 114          2HG2      THR 114 -11.350   0.814  -4.179
  879   2HG2  THR 114          3HG2      THR 114 -12.012   2.386  -4.682
  880   3HG2  THR 114          1HG2      THR 114 -10.755   1.608  -5.656
  881    H    VAL 115           H        VAL 115  -7.331  -0.281  -4.522
  882    HA   VAL 115           HA       VAL 115  -5.795   0.969  -6.617
  883    HB   VAL 115           HB       VAL 115  -6.407  -1.923  -5.886
  884   1HG1  VAL 115          1HG1      VAL 115  -4.485  -0.821  -7.953
  885   2HG1  VAL 115          2HG1      VAL 115  -4.401  -2.480  -7.293
  886   3HG1  VAL 115          3HG1      VAL 115  -5.803  -1.950  -8.223
  887   1HG2  VAL 115          2HG2      VAL 115  -3.942  -0.175  -5.439
  888   2HG2  VAL 115          3HG2      VAL 115  -5.089  -0.692  -4.188
  889   3HG2  VAL 115          1HG2      VAL 115  -4.089  -1.892  -5.006
  890    H    VAL 116           H        VAL 116  -5.937   0.479  -8.876
  891    HA   VAL 116           HA       VAL 116  -8.689  -0.065  -9.873
  892    HB   VAL 116           HB       VAL 116  -6.609   1.849 -11.010
  893   1HG1  VAL 116          1HG1      VAL 116  -9.434   1.175 -11.954
  894   2HG1  VAL 116          2HG1      VAL 116  -8.385   2.434 -12.636
  895   3HG1  VAL 116          3HG1      VAL 116  -7.926   0.733 -12.784
  896   1HG2  VAL 116          2HG2      VAL 116  -9.298   2.393  -9.664
  897   2HG2  VAL 116          3HG2      VAL 116  -7.703   2.833  -9.030
  898   3HG2  VAL 116          1HG2      VAL 116  -8.304   3.609 -10.494
  899    H    SER 117           H        SER 117  -5.142  -0.033 -10.720
  900    HA   SER 117           HA       SER 117  -5.430  -2.815 -11.562
  901   1HB   SER 117          1HB       SER 117  -4.359  -0.692 -13.479
  902   2HB   SER 117          2HB       SER 117  -4.457  -2.432 -13.793
  903    HG   SER 117           HG       SER 117  -6.182  -1.278 -14.736
  904    H    ALA 118           H        ALA 118  -3.613  -3.977 -11.364
  905    HA   ALA 118           HA       ALA 118  -0.980  -2.784 -10.748
  906   1HB   ALA 118          2HB       ALA 118  -2.072  -4.063  -8.815
  907   2HB   ALA 118          3HB       ALA 118  -2.227  -5.452  -9.890
  908   3HB   ALA 118          1HB       ALA 118  -0.621  -4.877  -9.451
  909    H    GLU 119           H        GLU 119   0.686  -3.518 -12.097
  910    HA   GLU 119           HA       GLU 119   0.335  -6.094 -13.512
  911   1HB   GLU 119          1HB       GLU 119   1.143  -5.377 -15.564
  912   2HB   GLU 119          2HB       GLU 119  -0.407  -4.664 -15.184
  913   1HG   GLU 119          1HG       GLU 119   2.173  -3.195 -14.592
  914   2HG   GLU 119          2HG       GLU 119   1.527  -3.308 -16.236
  915    H    GLN 120           H        GLN 120   2.318  -7.080 -14.213
  916    HA   GLN 120           HA       GLN 120   4.258  -7.037 -12.095
  917   1HB   GLN 120          1HB       GLN 120   3.612  -9.130 -13.238
  918   2HB   GLN 120          2HB       GLN 120   3.968  -8.419 -14.800
  919   1HG   GLN 120          1HG       GLN 120   5.740  -9.723 -14.675
  920   2HG   GLN 120          2HG       GLN 120   6.474  -8.348 -13.916
  921   1HE2  GLN 120          2HE2      GLN 120   6.432 -10.173 -10.663
  922   2HE2  GLN 120          1HE2      GLN 120   5.589  -8.712 -11.086
  923    H    THR 121           H        THR 121   6.307  -6.126 -12.033
  924    HA   THR 121           HA       THR 121   7.440  -5.109 -14.560
  925    HB   THR 121           HB       THR 121   8.117  -3.010 -13.372
  926    HG1  THR 121           HG1      THR 121   6.735  -2.435 -11.590
  927   1HG2  THR 121          3HG2      THR 121   6.179  -3.106 -14.980
  928   2HG2  THR 121          1HG2      THR 121   5.091  -3.258 -13.589
  929   3HG2  THR 121          2HG2      THR 121   6.093  -1.802 -13.794
  930    H    LEU 122           H        LEU 122   8.455  -4.747 -11.176
  931    HA   LEU 122           HA       LEU 122  11.146  -5.477 -11.883
  932   1HB   LEU 122          1HB       LEU 122  11.740  -5.012  -9.632
  933   2HB   LEU 122          2HB       LEU 122  10.631  -3.792 -10.196
  934    HG   LEU 122           HG       LEU 122   8.893  -5.597  -9.002
  935   1HD1  LEU 122          1HD1      LEU 122  10.812  -6.910  -8.085
  936   2HD1  LEU 122          2HD1      LEU 122  11.389  -5.443  -7.247
  937   3HD1  LEU 122          3HD1      LEU 122   9.838  -6.172  -6.802
  938   1HD2  LEU 122          3HD2      LEU 122  10.254  -3.220  -7.697
  939   2HD2  LEU 122          1HD2      LEU 122   8.812  -3.182  -8.738
  940   3HD2  LEU 122          2HD2      LEU 122   8.734  -3.979  -7.162
  941    HN3  FMN 123           HN3      FMN 123   2.561   2.533   8.434
  942    H6   FMN 123           H6       FMN 123   8.149  -0.678   5.878
  943   1HM7  FMN 123          1HM7      FMN 123  11.055   0.055   3.907
  944   2HM7  FMN 123          2HM7      FMN 123  11.460  -0.816   5.398
  945   3HM7  FMN 123          3HM7      FMN 123   9.984  -1.222   4.481
  946   1HM8  FMN 123          1HM8      FMN 123  12.060   3.263   5.740
  947   2HM8  FMN 123          2HM8      FMN 123  12.513   1.555   5.641
  948   3HM8  FMN 123          3HM8      FMN 123  11.736   2.363   4.254
  949    H9   FMN 123           H9       FMN 123  10.063   3.813   6.761
  950   1H1*  FMN 123          1H1*      FMN 123   7.858   4.858   9.365
  951   2H1*  FMN 123          2H1*      FMN 123   9.248   4.709   8.365
  952    H2*  FMN 123           H2*      FMN 123   8.212   6.874   8.121
  953   *HO2  FMN 123          *HO2      FMN 123   6.156   7.001   8.213
  954    H3*  FMN 123           H3*      FMN 123   7.952   5.200   5.610
  955   *HO3  FMN 123          *HO3      FMN 123   9.772   6.774   5.241
  956    H4*  FMN 123           H4*      FMN 123   6.554   7.026   5.137
  957   *HO4  FMN 123          *HO4      FMN 123   7.982   8.367   3.781
  958   1H5*  FMN 123          1H5*      FMN 123   7.206   8.621   7.039
  959   2H5*  FMN 123          2H5*      FMN 123   8.541   9.164   6.001
   
  No H/Q in entry =         959
  Start of MODEL   11
    1   1H    MET   1          2H        MET   1  -8.410  -3.508 -11.402
    2   2H    MET   1          3H        MET   1 -10.037  -3.737 -11.157
    3   3H    MET   1          1H        MET   1  -8.992  -3.793  -9.894
    4    HA   MET   1           HA       MET   1  -9.443  -5.980 -10.251
    5   1HB   MET   1          1HB       MET   1  -9.028  -5.420 -13.220
    6   2HB   MET   1          2HB       MET   1  -9.224  -7.022 -12.499
    7   1HG   MET   1          1HG       MET   1 -11.351  -6.415 -13.364
    8   2HG   MET   1          2HG       MET   1 -11.445  -6.346 -11.610
    9   1HE   MET   1          3HE       MET   1 -11.784  -4.481 -14.984
   10   2HE   MET   1          1HE       MET   1 -11.698  -2.764 -14.540
   11   3HE   MET   1          2HE       MET   1 -10.233  -3.767 -14.477
   12    H    LEU   2           H        LEU   2  -7.718  -7.542  -9.961
   13    HA   LEU   2           HA       LEU   2  -4.989  -6.544 -10.559
   14   1HB   LEU   2          1HB       LEU   2  -6.186  -7.494  -7.929
   15   2HB   LEU   2          2HB       LEU   2  -4.479  -7.682  -8.263
   16    HG   LEU   2           HG       LEU   2  -4.127  -5.298  -8.413
   17   1HD1  LEU   2          2HD1      LEU   2  -7.113  -5.140  -8.344
   18   2HD1  LEU   2          3HD1      LEU   2  -6.233  -3.900  -7.483
   19   3HD1  LEU   2          1HD1      LEU   2  -5.934  -4.131  -9.215
   20   1HD2  LEU   2          3HD2      LEU   2  -4.106  -6.449  -6.208
   21   2HD2  LEU   2          1HD2      LEU   2  -4.517  -4.739  -6.071
   22   3HD2  LEU   2          2HD2      LEU   2  -5.769  -5.991  -5.936
   23    HA   PRO   3           HA       PRO   3  -4.585 -10.835 -11.819
   24   1HB   PRO   3          1HB       PRO   3  -1.871 -11.256 -11.470
   25   2HB   PRO   3          2HB       PRO   3  -2.542 -10.285 -12.796
   26   1HG   PRO   3          1HG       PRO   3  -1.350  -9.314 -10.213
   27   2HG   PRO   3          2HG       PRO   3  -1.132  -8.660 -11.867
   28   1HD   PRO   3          1HD       PRO   3  -2.871  -7.582 -10.036
   29   2HD   PRO   3          2HD       PRO   3  -3.154  -7.518 -11.801
   30    H    GLY   4           H        GLY   4  -4.327 -12.947 -10.840
   31   1HA   GLY   4          1HA       GLY   4  -4.644 -13.223  -8.045
   32   2HA   GLY   4          2HA       GLY   4  -4.105 -14.505  -9.141
   33    H    THR   5           H        THR   5  -1.712 -13.313 -10.118
   34    HA   THR   5           HA       THR   5   0.241 -13.981  -8.340
   35    HB   THR   5           HB       THR   5   0.526 -11.823 -10.455
   36    HG1  THR   5           HG1      THR   5   0.527 -14.583 -11.030
   37   1HG2  THR   5          2HG2      THR   5   2.312 -14.172  -9.633
   38   2HG2  THR   5          3HG2      THR   5   2.666 -13.005 -10.927
   39   3HG2  THR   5          1HG2      THR   5   2.594 -12.467  -9.239
   40    H    PHE   6           H        PHE   6  -1.363 -10.724  -8.600
   41    HA   PHE   6           HA       PHE   6   0.477  -9.276  -6.956
   42   1HB   PHE   6          1HB       PHE   6  -1.395  -8.174  -8.124
   43   2HB   PHE   6          2HB       PHE   6  -2.566  -9.096  -7.196
   44    HD1  PHE   6           HD1      PHE   6  -2.615  -8.740  -4.566
   45    HD2  PHE   6           HD2      PHE   6  -0.942  -5.969  -7.414
   46    HE1  PHE   6           HE1      PHE   6  -2.761  -6.956  -2.902
   47    HE2  PHE   6           HE2      PHE   6  -1.192  -4.146  -5.732
   48    HZ   PHE   6           HZ       PHE   6  -2.007  -4.651  -3.465
   49    H    PHE   7           H        PHE   7  -2.379 -11.256  -6.088
   50    HA   PHE   7           HA       PHE   7  -2.098 -10.795  -3.293
   51   1HB   PHE   7          1HB       PHE   7  -3.629 -12.981  -4.744
   52   2HB   PHE   7          2HB       PHE   7  -3.806 -12.532  -3.050
   53    HD1  PHE   7           HD1      PHE   7  -4.409 -10.029  -2.519
   54    HD2  PHE   7           HD2      PHE   7  -4.889 -11.812  -6.414
   55    HE1  PHE   7           HE1      PHE   7  -5.918  -8.169  -3.201
   56    HE2  PHE   7           HE2      PHE   7  -6.415  -9.982  -7.069
   57    HZ   PHE   7           HZ       PHE   7  -6.941  -8.158  -5.449
   58    H    GLU   8           H        GLU   8  -1.150 -13.604  -5.361
   59    HA   GLU   8           HA       GLU   8   0.011 -15.036  -3.199
   60   1HB   GLU   8          1HB       GLU   8   0.835 -15.215  -6.108
   61   2HB   GLU   8          2HB       GLU   8   1.141 -16.394  -4.828
   62   1HG   GLU   8          1HG       GLU   8  -1.431 -15.754  -6.246
   63   2HG   GLU   8          2HG       GLU   8  -0.715 -17.320  -5.901
   64    H    VAL   9           H        VAL   9   1.478 -12.378  -5.090
   65    HA   VAL   9           HA       VAL   9   4.064 -12.789  -3.830
   66    HB   VAL   9           HB       VAL   9   2.871 -10.410  -5.307
   67   1HG1  VAL   9          2HG1      VAL   9   5.753 -10.874  -4.430
   68   2HG1  VAL   9          3HG1      VAL   9   5.192  -9.553  -5.461
   69   3HG1  VAL   9          1HG1      VAL   9   4.679  -9.626  -3.762
   70   1HG2  VAL   9          3HG2      VAL   9   3.363 -12.511  -6.656
   71   2HG2  VAL   9          1HG2      VAL   9   4.384 -11.145  -7.106
   72   3HG2  VAL   9          2HG2      VAL   9   5.026 -12.448  -6.086
   73    H    LEU  10           H        LEU  10   1.141 -10.812  -3.035
   74    HA   LEU  10           HA       LEU  10   2.207  -9.661  -0.639
   75   1HB   LEU  10          1HB       LEU  10  -0.597 -10.252  -1.568
   76   2HB   LEU  10          2HB       LEU  10  -0.329  -9.760   0.072
   77    HG   LEU  10           HG       LEU  10  -0.930  -8.096  -1.941
   78   1HD1  LEU  10          2HD1      LEU  10  -0.969  -7.546   0.425
   79   2HD1  LEU  10          3HD1      LEU  10   0.803  -7.422   0.450
   80   3HD1  LEU  10          1HD1      LEU  10  -0.166  -6.257  -0.485
   81   1HD2  LEU  10          2HD2      LEU  10   1.202  -8.319  -3.185
   82   2HD2  LEU  10          3HD2      LEU  10   0.935  -6.679  -2.583
   83   3HD2  LEU  10          1HD2      LEU  10   2.090  -7.733  -1.756
   84    H    LYS  11           H        LYS  11   0.685 -12.871  -1.144
   85    HA   LYS  11           HA       LYS  11   0.610 -13.638   1.609
   86   1HB   LYS  11          1HB       LYS  11   0.977 -15.323  -0.886
   87   2HB   LYS  11          2HB       LYS  11   1.134 -16.022   0.705
   88   1HG   LYS  11          1HG       LYS  11  -0.999 -16.539  -0.053
   89   2HG   LYS  11          2HG       LYS  11  -1.171 -15.395   1.272
   90   1HD   LYS  11          1HD       LYS  11  -1.776 -13.617  -0.269
   91   2HD   LYS  11          2HD       LYS  11  -1.418 -14.663  -1.662
   92   1HE   LYS  11          1HE       LYS  11  -3.437 -15.559   0.378
   93   2HE   LYS  11          2HE       LYS  11  -3.903 -14.383  -0.866
   94   1HZ   LYS  11          1HZ       LYS  11  -2.567 -16.868  -1.712
   95   2HZ   LYS  11          2HZ       LYS  11  -4.220 -16.830  -1.475
   96   3HZ   LYS  11          3HZ       LYS  11  -3.420 -15.900  -2.570
   97    H    ASN  12           H        ASN  12   3.424 -12.939  -0.294
   98    HA   ASN  12           HA       ASN  12   5.138 -14.498   1.584
   99   1HB   ASN  12          1HB       ASN  12   5.645 -13.398  -1.214
  100   2HB   ASN  12          2HB       ASN  12   6.902 -13.979  -0.137
  101   1HD2  ASN  12          2HD2      ASN  12   4.444 -16.761  -1.890
  102   2HD2  ASN  12          1HD2      ASN  12   3.870 -15.113  -1.881
  103    H    GLU  13           H        GLU  13   7.001 -13.301   2.455
  104    HA   GLU  13           HA       GLU  13   6.232 -10.649   3.202
  105   1HB   GLU  13          1HB       GLU  13   7.545 -12.320   4.600
  106   2HB   GLU  13          2HB       GLU  13   8.951 -12.015   3.576
  107   1HG   GLU  13          1HG       GLU  13   8.982 -10.706   5.702
  108   2HG   GLU  13          2HG       GLU  13   9.008  -9.665   4.280
  109    H    GLY  14           H        GLY  14   7.270  -8.615   2.782
  110   1HA   GLY  14          1HA       GLY  14   9.274  -8.275   0.757
  111   2HA   GLY  14          2HA       GLY  14   7.620  -8.152   0.093
  112    H    VAL  15           H        VAL  15   9.088  -6.008  -0.187
  113    HA   VAL  15           HA       VAL  15   8.192  -4.075   1.881
  114    HB   VAL  15           HB       VAL  15  10.472  -3.819  -0.131
  115   1HG1  VAL  15          3HG1      VAL  15   9.437  -1.826   1.936
  116   2HG1  VAL  15          1HG1      VAL  15  10.953  -1.649   1.031
  117   3HG1  VAL  15          2HG1      VAL  15   9.412  -1.629   0.175
  118   1HG2  VAL  15          3HG2      VAL  15  11.086  -5.233   1.825
  119   2HG2  VAL  15          1HG2      VAL  15  11.935  -3.678   1.863
  120   3HG2  VAL  15          2HG2      VAL  15  10.530  -3.951   2.907
  121    H    VAL  16           H        VAL  16   6.962  -2.405   1.074
  122    HA   VAL  16           HA       VAL  16   6.077  -2.394  -1.744
  123    HB   VAL  16           HB       VAL  16   4.395  -2.365   0.801
  124   1HG1  VAL  16          2HG1      VAL  16   3.366  -0.888  -0.969
  125   2HG1  VAL  16          3HG1      VAL  16   3.241  -2.331  -2.004
  126   3HG1  VAL  16          1HG1      VAL  16   2.382  -2.248  -0.470
  127   1HG2  VAL  16          2HG2      VAL  16   4.815  -4.479  -1.322
  128   2HG2  VAL  16          3HG2      VAL  16   4.931  -4.616   0.436
  129   3HG2  VAL  16          1HG2      VAL  16   3.355  -4.456  -0.332
  130    H    ALA  17           H        ALA  17   5.187  -0.177  -2.247
  131    HA   ALA  17           HA       ALA  17   5.848   1.913  -0.329
  132   1HB   ALA  17          2HB       ALA  17   7.854   1.425  -1.960
  133   2HB   ALA  17          3HB       ALA  17   6.806   2.127  -3.199
  134   3HB   ALA  17          1HB       ALA  17   7.311   3.100  -1.810
  135    H    ILE  18           H        ILE  18   4.762   3.972  -0.909
  136    HA   ILE  18           HA       ILE  18   2.627   3.774  -2.938
  137    HB   ILE  18           HB       ILE  18   2.144   4.676  -0.065
  138   1HG1  ILE  18          1HG1      ILE  18   0.445   2.607  -0.344
  139   2HG1  ILE  18          2HG1      ILE  18   1.712   2.002  -1.372
  140   1HG2  ILE  18          3HG2      ILE  18   0.764   5.854  -1.733
  141   2HG2  ILE  18          1HG2      ILE  18   0.211   4.297  -2.390
  142   3HG2  ILE  18          2HG2      ILE  18  -0.214   4.792  -0.733
  143   1HD1  ILE  18          1HD1      ILE  18   3.288   2.227   0.597
  144   2HD1  ILE  18          2HD1      ILE  18   1.915   2.833   1.552
  145   3HD1  ILE  18          3HD1      ILE  18   1.896   1.174   0.917
  146    H    ALA  19           H        ALA  19   2.796   5.629  -4.188
  147    HA   ALA  19           HA       ALA  19   4.219   7.999  -3.058
  148   1HB   ALA  19          3HB       ALA  19   4.786   7.126  -5.449
  149   2HB   ALA  19          1HB       ALA  19   3.212   7.829  -5.892
  150   3HB   ALA  19          2HB       ALA  19   4.459   8.852  -5.204
  151    H    THR  20           H        THR  20   2.814   9.069  -1.768
  152    HA   THR  20           HA       THR  20   0.004   9.273  -2.528
  153    HB   THR  20           HB       THR  20   1.402  10.825  -0.324
  154    HG1  THR  20           HG1      THR  20   1.648   9.103   0.776
  155   1HG2  THR  20          3HG2      THR  20  -1.096  11.147  -1.025
  156   2HG2  THR  20          1HG2      THR  20  -1.342   9.499  -0.444
  157   3HG2  THR  20          2HG2      THR  20  -0.787  10.769   0.668
  158    H    GLN  21           H        GLN  21  -0.525  10.800  -4.218
  159    HA   GLN  21           HA       GLN  21   1.316  13.038  -4.675
  160   1HB   GLN  21          1HB       GLN  21   0.217  11.919  -6.588
  161   2HB   GLN  21          2HB       GLN  21  -1.372  12.320  -5.915
  162   1HG   GLN  21          1HG       GLN  21  -0.724  13.802  -7.763
  163   2HG   GLN  21          2HG       GLN  21  -1.030  14.670  -6.267
  164   1HE2  GLN  21          2HE2      GLN  21   2.097  16.274  -6.490
  165   2HE2  GLN  21          1HE2      GLN  21   0.434  16.264  -5.928
  166    H    GLY  22           H        GLY  22   0.828  15.151  -4.153
  167   1HA   GLY  22          1HA       GLY  22  -1.652  15.685  -2.614
  168   2HA   GLY  22          2HA       GLY  22  -0.093  16.175  -1.901
  169    H    GLU  23           H        GLU  23   1.280  17.634  -3.150
  170    HA   GLU  23           HA       GLU  23   0.354  19.019  -5.530
  171   1HB   GLU  23          1HB       GLU  23  -1.280  19.917  -4.001
  172   2HB   GLU  23          2HB       GLU  23  -0.069  20.080  -2.764
  173   1HG   GLU  23          1HG       GLU  23   1.011  21.897  -4.243
  174   2HG   GLU  23          2HG       GLU  23  -0.443  21.787  -5.246
  175    H    ASP  24           H        ASP  24   2.155  19.604  -2.421
  176    HA   ASP  24           HA       ASP  24   4.451  20.689  -3.805
  177   1HB   ASP  24          1HB       ASP  24   5.336  21.208  -1.695
  178   2HB   ASP  24          2HB       ASP  24   3.617  21.575  -1.621
  179    H    GLY  25           H        GLY  25   4.122  18.459  -4.901
  180   1HA   GLY  25          1HA       GLY  25   5.418  16.746  -5.745
  181   2HA   GLY  25          2HA       GLY  25   6.510  16.856  -4.356
  182    HA   PRO  26           HA       PRO  26   3.306  13.447  -3.628
  183   1HB   PRO  26          1HB       PRO  26   4.163  11.238  -4.978
  184   2HB   PRO  26          2HB       PRO  26   3.054  12.407  -5.690
  185   1HG   PRO  26          1HG       PRO  26   6.064  12.311  -6.034
  186   2HG   PRO  26          2HG       PRO  26   4.807  12.447  -7.312
  187   1HD   PRO  26          1HD       PRO  26   6.078  14.642  -6.340
  188   2HD   PRO  26          2HD       PRO  26   4.331  14.689  -6.734
  189    H    HIS  27           H        HIS  27   3.806  11.596  -2.300
  190    HA   HIS  27           HA       HIS  27   6.503  11.734  -0.981
  191   1HB   HIS  27          1HB       HIS  27   4.502  12.858   0.059
  192   2HB   HIS  27          2HB       HIS  27   3.691  11.325   0.116
  193    HD1  HIS  27           HD1      HIS  27   7.059  10.466   1.654
  194    HD2  HIS  27           HD2      HIS  27   3.532  12.605   2.512
  195    HE1  HIS  27           HE1      HIS  27   6.928  10.620   4.125
  196    H    LEU  28           H        LEU  28   7.471   9.815  -1.859
  197    HA   LEU  28           HA       LEU  28   5.805   7.404  -2.153
  198   1HB   LEU  28          1HB       LEU  28   7.271   8.022  -3.986
  199   2HB   LEU  28          2HB       LEU  28   8.683   7.897  -2.935
  200    HG   LEU  28           HG       LEU  28   8.517   5.517  -2.793
  201   1HD1  LEU  28          3HD1      LEU  28   5.756   5.755  -4.036
  202   2HD1  LEU  28          1HD1      LEU  28   6.618   4.236  -3.858
  203   3HD1  LEU  28          2HD1      LEU  28   6.160   5.144  -2.412
  204   1HD2  LEU  28          2HD2      LEU  28   9.288   6.341  -5.030
  205   2HD2  LEU  28          3HD2      LEU  28   8.490   4.762  -5.130
  206   3HD2  LEU  28          1HD2      LEU  28   7.616   6.222  -5.630
  207    H    VAL  29           H        VAL  29   5.259   6.893  -0.108
  208    HA   VAL  29           HA       VAL  29   7.322   6.578   1.929
  209    HB   VAL  29           HB       VAL  29   5.473   6.026   3.420
  210   1HG1  VAL  29          3HG1      VAL  29   5.909   8.395   2.864
  211   2HG1  VAL  29          1HG1      VAL  29   4.640   8.348   1.632
  212   3HG1  VAL  29          2HG1      VAL  29   4.223   8.109   3.332
  213   1HG2  VAL  29          2HG2      VAL  29   4.018   4.698   1.860
  214   2HG2  VAL  29          3HG2      VAL  29   3.157   5.909   2.821
  215   3HG2  VAL  29          1HG2      VAL  29   3.508   6.234   1.122
  216    H    ASN  30           H        ASN  30   7.335   4.425   3.222
  217    HA   ASN  30           HA       ASN  30   7.001   2.076   1.420
  218   1HB   ASN  30          1HB       ASN  30   9.190   2.728   3.399
  219   2HB   ASN  30          2HB       ASN  30   8.831   1.059   3.011
  220   1HD2  ASN  30          2HD2      ASN  30   9.812   1.603  -0.505
  221   2HD2  ASN  30          1HD2      ASN  30   8.346   0.999   0.279
  222    H    THR  31           H        THR  31   6.810  -0.023   2.511
  223    HA   THR  31           HA       THR  31   6.000  -0.287   5.200
  224    HB   THR  31           HB       THR  31   3.949   0.816   4.311
  225    HG1  THR  31           HG1      THR  31   3.581  -0.398   5.995
  226   1HG2  THR  31          1HG2      THR  31   4.066  -0.199   1.986
  227   2HG2  THR  31          2HG2      THR  31   3.486  -1.719   2.721
  228   3HG2  THR  31          3HG2      THR  31   2.492  -0.251   2.776
  229    H    TRP  32           H        TRP  32   5.000  -2.659   5.322
  230    HA   TRP  32           HA       TRP  32   6.667  -4.499   3.684
  231   1HB   TRP  32          1HB       TRP  32   6.166  -4.517   6.682
  232   2HB   TRP  32          2HB       TRP  32   6.721  -5.921   5.789
  233    HD1  TRP  32           HD1      TRP  32   7.937  -2.539   6.993
  234    HE1  TRP  32           HE1      TRP  32  10.468  -2.372   6.734
  235    HE3  TRP  32           HE3      TRP  32   8.746  -6.951   4.578
  236    HZ2  TRP  32           HZ2      TRP  32  12.627  -4.029   5.664
  237    HZ3  TRP  32           HZ3      TRP  32  11.043  -7.665   3.964
  238    HH2  TRP  32           HH2      TRP  32  12.993  -6.198   4.479
  239    H    ASN  33           H        ASN  33   5.642  -6.518   3.133
  240    HA   ASN  33           HA       ASN  33   2.764  -6.522   2.958
  241   1HB   ASN  33          1HB       ASN  33   4.752  -8.818   2.783
  242   2HB   ASN  33          2HB       ASN  33   3.019  -8.989   2.519
  243   1HD2  ASN  33          2HD2      ASN  33   4.924  -8.398  -0.755
  244   2HD2  ASN  33          1HD2      ASN  33   4.915  -9.642   0.498
  245    H    SER  34           H        SER  34   5.071  -7.782   5.350
  246    HA   SER  34           HA       SER  34   3.638  -9.120   7.175
  247   1HB   SER  34          1HB       SER  34   6.126  -8.068   7.130
  248   2HB   SER  34          2HB       SER  34   5.381  -6.777   8.019
  249    HG   SER  34           HG       SER  34   5.763  -9.428   8.701
  250    H    TYR  35           H        TYR  35   3.155  -5.772   6.393
  251    HA   TYR  35           HA       TYR  35   1.514  -5.228   8.813
  252   1HB   TYR  35          1HB       TYR  35   2.932  -3.296   6.968
  253   2HB   TYR  35          2HB       TYR  35   2.086  -2.904   8.442
  254    HD1  TYR  35           HD2      TYR  35   3.505  -5.484   9.950
  255    HD2  TYR  35           HD1      TYR  35   4.782  -1.945   7.821
  256    HE1  TYR  35           HE2      TYR  35   5.606  -5.477  11.221
  257    HE2  TYR  35           HE1      TYR  35   6.864  -1.900   9.142
  258    HH   TYR  35           HH       TYR  35   8.176  -3.052  10.713
  259    H    LEU  36           H        LEU  36   1.105  -5.934   5.477
  260    HA   LEU  36           HA       LEU  36  -0.946  -3.819   5.068
  261   1HB   LEU  36          1HB       LEU  36   0.050  -6.095   3.296
  262   2HB   LEU  36          2HB       LEU  36  -1.181  -4.923   2.823
  263    HG   LEU  36           HG       LEU  36   1.721  -4.285   3.483
  264   1HD1  LEU  36          3HD1      LEU  36   1.411  -5.351   1.306
  265   2HD1  LEU  36          1HD1      LEU  36   0.167  -4.149   0.870
  266   3HD1  LEU  36          2HD1      LEU  36   1.857  -3.661   1.143
  267   1HD2  LEU  36          2HD2      LEU  36  -0.618  -2.476   2.790
  268   2HD2  LEU  36          3HD2      LEU  36   0.477  -2.376   4.199
  269   3HD2  LEU  36          1HD2      LEU  36   1.080  -2.000   2.591
  270    H    LYS  37           H        LYS  37  -3.123  -4.318   4.376
  271    HA   LYS  37           HA       LYS  37  -4.020  -7.041   4.939
  272   1HB   LYS  37          1HB       LYS  37  -5.711  -6.656   6.400
  273   2HB   LYS  37          2HB       LYS  37  -4.363  -5.754   7.051
  274   1HG   LYS  37          1HG       LYS  37  -6.286  -4.522   7.490
  275   2HG   LYS  37          2HG       LYS  37  -5.438  -3.636   6.230
  276   1HD   LYS  37          1HD       LYS  37  -7.101  -4.203   4.600
  277   2HD   LYS  37          2HD       LYS  37  -7.619  -5.627   5.479
  278   1HE   LYS  37          1HE       LYS  37  -9.238  -3.708   5.398
  279   2HE   LYS  37          2HE       LYS  37  -8.951  -4.401   6.979
  280   1HZ   LYS  37          1HZ       LYS  37  -7.255  -2.164   6.353
  281   2HZ   LYS  37          2HZ       LYS  37  -8.840  -1.814   6.276
  282   3HZ   LYS  37          3HZ       LYS  37  -8.226  -2.394   7.688
  283    H    VAL  38           H        VAL  38  -5.522  -7.716   3.439
  284    HA   VAL  38           HA       VAL  38  -6.135  -5.799   1.248
  285    HB   VAL  38           HB       VAL  38  -5.743  -8.799   1.378
  286   1HG1  VAL  38          3HG1      VAL  38  -6.669  -7.210  -1.029
  287   2HG1  VAL  38          1HG1      VAL  38  -6.153  -8.918  -1.033
  288   3HG1  VAL  38          2HG1      VAL  38  -7.594  -8.439  -0.154
  289   1HG2  VAL  38          2HG2      VAL  38  -3.637  -7.535   1.275
  290   2HG2  VAL  38          3HG2      VAL  38  -3.915  -8.553  -0.139
  291   3HG2  VAL  38          1HG2      VAL  38  -4.180  -6.813  -0.248
  292    H    LEU  39           H        LEU  39  -8.350  -5.793   0.516
  293    HA   LEU  39           HA       LEU  39 -10.356  -7.176   2.175
  294   1HB   LEU  39          1HB       LEU  39 -10.363  -4.300   1.177
  295   2HB   LEU  39          2HB       LEU  39 -11.816  -5.129   1.714
  296    HG   LEU  39           HG       LEU  39  -9.393  -4.532   3.451
  297   1HD1  LEU  39          1HD1      LEU  39 -12.155  -3.255   3.231
  298   2HD1  LEU  39          2HD1      LEU  39 -11.021  -2.934   4.544
  299   3HD1  LEU  39          3HD1      LEU  39 -10.578  -2.499   2.895
  300   1HD2  LEU  39          2HD2      LEU  39 -12.104  -5.750   4.155
  301   2HD2  LEU  39          3HD2      LEU  39 -10.511  -6.530   4.312
  302   3HD2  LEU  39          1HD2      LEU  39 -10.935  -5.163   5.345
  303    H    ASP  40           H        ASP  40 -12.522  -6.899   0.761
  304    HA   ASP  40           HA       ASP  40 -12.053  -8.193  -1.758
  305   1HB   ASP  40          1HB       ASP  40 -13.938  -8.771  -0.269
  306   2HB   ASP  40          2HB       ASP  40 -14.601  -7.142  -0.475
  307    H    GLY  41           H        GLY  41 -13.565  -7.228  -3.643
  308   1HA   GLY  41          1HA       GLY  41 -13.625  -5.706  -5.368
  309   2HA   GLY  41          2HA       GLY  41 -13.790  -4.458  -4.119
  310    H    ASN  42           H        ASN  42 -11.020  -6.525  -4.185
  311    HA   ASN  42           HA       ASN  42  -8.836  -6.190  -4.273
  312   1HB   ASN  42          1HB       ASN  42  -7.823  -5.460  -6.217
  313   2HB   ASN  42          2HB       ASN  42  -9.302  -6.262  -6.684
  314   1HD2  ASN  42          2HD2      ASN  42  -9.159  -2.106  -7.225
  315   2HD2  ASN  42          1HD2      ASN  42  -8.501  -2.841  -5.786
  316    H    ARG  43           H        ARG  43 -10.410  -4.292  -2.627
  317    HA   ARG  43           HA       ARG  43  -8.944  -1.766  -2.549
  318   1HB   ARG  43          1HB       ARG  43 -11.323  -2.112  -1.953
  319   2HB   ARG  43          2HB       ARG  43 -10.854  -3.273  -0.720
  320   1HG   ARG  43          1HG       ARG  43  -9.796  -1.443   0.600
  321   2HG   ARG  43          2HG       ARG  43 -10.364  -0.277  -0.635
  322   1HD   ARG  43          1HD       ARG  43 -12.705  -1.162  -0.326
  323   2HD   ARG  43          2HD       ARG  43 -12.115  -2.263   0.909
  324    HE   ARG  43           HE       ARG  43 -11.803  -0.501   2.437
  325   1HH1  ARG  43          2HH2      ARG  43 -13.041   0.821  -0.616
  326   2HH1  ARG  43          1HH2      ARG  43 -13.778   2.195   0.124
  327   1HH2  ARG  43          2HH1      ARG  43 -12.632   1.143   3.359
  328   2HH2  ARG  43          1HH1      ARG  43 -13.555   2.428   2.582
  329    H    ILE  44           H        ILE  44  -6.958  -1.467  -1.406
  330    HA   ILE  44           HA       ILE  44  -6.045  -3.776   0.273
  331    HB   ILE  44           HB       ILE  44  -4.171  -1.948  -1.290
  332   1HG1  ILE  44          1HG1      ILE  44  -5.532  -3.005  -3.040
  333   2HG1  ILE  44          2HG1      ILE  44  -3.903  -3.582  -3.043
  334   1HG2  ILE  44          2HG2      ILE  44  -4.021  -4.686   0.075
  335   2HG2  ILE  44          3HG2      ILE  44  -2.738  -4.117  -0.995
  336   3HG2  ILE  44          1HG2      ILE  44  -3.118  -3.237   0.493
  337   1HD1  ILE  44          2HD1      ILE  44  -6.256  -5.135  -1.891
  338   2HD1  ILE  44          3HD1      ILE  44  -5.578  -5.349  -3.510
  339   3HD1  ILE  44          1HD1      ILE  44  -4.591  -5.731  -2.099
  340    H    VAL  45           H        VAL  45  -4.562  -2.928   2.140
  341    HA   VAL  45           HA       VAL  45  -5.007  -0.068   2.697
  342    HB   VAL  45           HB       VAL  45  -5.841  -2.257   4.608
  343   1HG1  VAL  45          1HG1      VAL  45  -6.243   0.750   4.619
  344   2HG1  VAL  45          2HG1      VAL  45  -7.102  -0.309   5.707
  345   3HG1  VAL  45          3HG1      VAL  45  -5.331  -0.214   5.789
  346   1HG2  VAL  45          2HG2      VAL  45  -7.696  -0.671   2.807
  347   2HG2  VAL  45          3HG2      VAL  45  -7.418  -2.427   2.751
  348   3HG2  VAL  45          1HG2      VAL  45  -8.208  -1.722   4.122
  349    H    VAL  46           H        VAL  46  -3.578   0.803   4.149
  350    HA   VAL  46           HA       VAL  46  -1.187  -0.806   4.843
  351    HB   VAL  46           HB       VAL  46  -1.416   2.067   3.852
  352   1HG1  VAL  46          3HG1      VAL  46   1.033   0.385   4.452
  353   2HG1  VAL  46          1HG1      VAL  46   1.062   1.970   3.647
  354   3HG1  VAL  46          2HG1      VAL  46   0.499   1.844   5.311
  355   1HG2  VAL  46          3HG2      VAL  46  -1.899   0.574   1.965
  356   2HG2  VAL  46          1HG2      VAL  46  -0.398   1.462   1.773
  357   3HG2  VAL  46          2HG2      VAL  46  -0.344  -0.245   2.226
  358    HA   PRO  47           HA       PRO  47  -2.163   1.391   8.743
  359   1HB   PRO  47          1HB       PRO  47  -0.240   0.394  10.364
  360   2HB   PRO  47          2HB       PRO  47  -1.611  -0.598   9.783
  361   1HG   PRO  47          1HG       PRO  47   1.190  -0.479   8.627
  362   2HG   PRO  47          2HG       PRO  47   0.228  -1.920   9.067
  363   1HD   PRO  47          1HD       PRO  47   0.381  -0.911   6.510
  364   2HD   PRO  47          2HD       PRO  47  -1.118  -1.677   7.129
  365    H    VAL  48           H        VAL  48  -1.742   3.498   8.558
  366    HA   VAL  48           HA       VAL  48   1.007   4.463   8.129
  367    HB   VAL  48           HB       VAL  48  -0.606   5.565   6.668
  368   1HG1  VAL  48          2HG1      VAL  48  -2.279   5.942   9.048
  369   2HG1  VAL  48          3HG1      VAL  48  -2.563   6.723   7.473
  370   3HG1  VAL  48          1HG1      VAL  48  -2.654   4.983   7.597
  371   1HG2  VAL  48          2HG2      VAL  48   1.069   7.047   7.906
  372   2HG2  VAL  48          3HG2      VAL  48  -0.362   7.871   7.294
  373   3HG2  VAL  48          1HG2      VAL  48  -0.249   7.471   9.015
  374    H    GLY  49           H        GLY  49   2.174   4.587   9.913
  375   1HA   GLY  49          1HA       GLY  49   0.929   5.151  12.556
  376   2HA   GLY  49          2HA       GLY  49   2.484   4.370  12.258
  377    H    GLY  50           H        GLY  50   3.337   6.367  10.195
  378   1HA   GLY  50          1HA       GLY  50   3.315   8.927  11.753
  379   2HA   GLY  50          2HA       GLY  50   4.822   8.056  11.479
  380    H    MET  51           H        MET  51   2.656   7.894   8.816
  381    HA   MET  51           HA       MET  51   4.355   9.822   7.349
  382   1HB   MET  51          1HB       MET  51   2.158   8.113   6.130
  383   2HB   MET  51          2HB       MET  51   3.489   8.964   5.355
  384   1HG   MET  51          1HG       MET  51   4.400   6.947   5.293
  385   2HG   MET  51          2HG       MET  51   4.960   7.371   6.900
  386   1HE   MET  51          3HE       MET  51   4.222   4.659   4.960
  387   2HE   MET  51          1HE       MET  51   5.245   4.380   6.381
  388   3HE   MET  51          2HE       MET  51   3.761   3.434   6.147
  389    H    HIS  52           H        HIS  52   3.364  11.482   8.799
  390    HA   HIS  52           HA       HIS  52   0.671  12.310   8.516
  391   1HB   HIS  52          1HB       HIS  52   3.130  13.784   9.514
  392   2HB   HIS  52          2HB       HIS  52   1.490  14.446   9.561
  393    HD1  HIS  52           HD1      HIS  52   3.688  12.096  11.534
  394    HD2  HIS  52           HD2      HIS  52  -0.410  12.895  10.925
  395    HE1  HIS  52           HE1      HIS  52   2.432  10.981  13.457
  396    H    LYS  53           H        LYS  53   3.615  13.575   6.723
  397    HA   LYS  53           HA       LYS  53   2.015  15.425   5.236
  398   1HB   LYS  53          1HB       LYS  53   4.363  15.734   5.087
  399   2HB   LYS  53          2HB       LYS  53   4.623  14.140   4.387
  400   1HG   LYS  53          1HG       LYS  53   3.339  14.790   2.370
  401   2HG   LYS  53          2HG       LYS  53   2.945  16.348   3.093
  402   1HD   LYS  53          1HD       LYS  53   5.225  17.095   2.894
  403   2HD   LYS  53          2HD       LYS  53   5.783  15.463   2.438
  404   1HE   LYS  53          1HE       LYS  53   4.472  15.526   0.374
  405   2HE   LYS  53          2HE       LYS  53   3.722  17.061   0.838
  406   1HZ   LYS  53          2HZ       LYS  53   6.628  16.823   0.331
  407   2HZ   LYS  53          3HZ       LYS  53   5.517  17.324  -0.779
  408   3HZ   LYS  53          1HZ       LYS  53   5.703  18.195   0.530
  409    H    THR  54           H        THR  54   2.335  11.874   4.845
  410    HA   THR  54           HA       THR  54   0.860  11.864   2.362
  411    HB   THR  54           HB       THR  54   1.792   9.805   4.297
  412    HG1  THR  54           HG1      THR  54   3.121  10.455   2.628
  413   1HG2  THR  54          1HG2      THR  54  -0.325   9.225   2.210
  414   2HG2  THR  54          2HG2      THR  54   0.791   8.012   2.865
  415   3HG2  THR  54          3HG2      THR  54  -0.348   8.842   3.930
  416    H    GLU  55           H        GLU  55  -0.187  11.696   5.827
  417    HA   GLU  55           HA       GLU  55  -2.969  11.383   5.276
  418   1HB   GLU  55          1HB       GLU  55  -1.830  11.381   7.543
  419   2HB   GLU  55          2HB       GLU  55  -1.715  13.128   7.450
  420   1HG   GLU  55          1HG       GLU  55  -4.079  13.429   7.513
  421   2HG   GLU  55          2HG       GLU  55  -4.390  11.716   7.234
  422    H    ALA  56           H        ALA  56  -1.094  14.400   5.498
  423    HA   ALA  56           HA       ALA  56  -3.213  16.127   4.696
  424   1HB   ALA  56          1HB       ALA  56  -1.103  16.950   5.697
  425   2HB   ALA  56          2HB       ALA  56  -0.210  16.462   4.237
  426   3HB   ALA  56          3HB       ALA  56  -1.437  17.740   4.143
  427    H    ASN  57           H        ASN  57  -0.686  14.483   2.730
  428    HA   ASN  57           HA       ASN  57  -1.403  15.589   0.238
  429   1HB   ASN  57          1HB       ASN  57  -0.051  13.012   1.001
  430   2HB   ASN  57          2HB       ASN  57  -0.421  13.323  -0.647
  431   1HD2  ASN  57          2HD2      ASN  57   2.839  14.656  -0.825
  432   2HD2  ASN  57          1HD2      ASN  57   1.891  13.210  -1.075
  433    H    VAL  58           H        VAL  58  -2.701  12.572   1.783
  434    HA   VAL  58           HA       VAL  58  -4.426  11.975  -0.416
  435    HB   VAL  58           HB       VAL  58  -4.709  11.207   2.530
  436   1HG1  VAL  58          1HG1      VAL  58  -6.105  10.128   0.039
  437   2HG1  VAL  58          2HG1      VAL  58  -6.178   9.379   1.654
  438   3HG1  VAL  58          3HG1      VAL  58  -6.880  10.982   1.383
  439   1HG2  VAL  58          2HG2      VAL  58  -3.562   9.759   0.105
  440   2HG2  VAL  58          3HG2      VAL  58  -2.709  10.205   1.596
  441   3HG2  VAL  58          1HG2      VAL  58  -3.936   8.953   1.642
  442    H    ALA  59           H        ALA  59  -4.938  13.896   2.601
  443    HA   ALA  59           HA       ALA  59  -7.657  14.516   2.000
  444   1HB   ALA  59          3HB       ALA  59  -6.610  14.876   4.217
  445   2HB   ALA  59          1HB       ALA  59  -5.631  16.197   3.535
  446   3HB   ALA  59          2HB       ALA  59  -7.397  16.346   3.600
  447    H    ARG  60           H        ARG  60  -4.688  15.903   0.628
  448    HA   ARG  60           HA       ARG  60  -6.164  18.197  -0.534
  449   1HB   ARG  60          1HB       ARG  60  -3.315  17.183  -0.886
  450   2HB   ARG  60          2HB       ARG  60  -3.921  18.695  -1.557
  451   1HG   ARG  60          1HG       ARG  60  -3.866  19.802   0.465
  452   2HG   ARG  60          2HG       ARG  60  -4.237  18.370   1.421
  453   1HD   ARG  60          1HD       ARG  60  -1.930  19.074   1.818
  454   2HD   ARG  60          2HD       ARG  60  -1.963  17.482   1.052
  455    HE   ARG  60           HE       ARG  60  -1.840  19.232  -1.032
  456   1HH1  ARG  60          2HH2      ARG  60   0.488  17.552   0.942
  457   2HH1  ARG  60          1HH2      ARG  60   1.754  18.701   0.663
  458   1HH2  ARG  60          2HH1      ARG  60  -0.041  21.151  -0.959
  459   2HH2  ARG  60          1HH1      ARG  60   1.495  20.615  -0.315
  460    H    ASP  61           H        ASP  61  -4.304  15.427  -1.810
  461    HA   ASP  61           HA       ASP  61  -6.296  15.207  -4.023
  462   1HB   ASP  61          1HB       ASP  61  -4.320  16.340  -4.941
  463   2HB   ASP  61          2HB       ASP  61  -3.293  14.991  -4.416
  464    H    GLU  62           H        GLU  62  -6.963  13.243  -4.521
  465    HA   GLU  62           HA       GLU  62  -6.428  11.104  -2.641
  466   1HB   GLU  62          1HB       GLU  62  -8.178   9.894  -4.021
  467   2HB   GLU  62          2HB       GLU  62  -8.703  11.442  -3.356
  468   1HG   GLU  62          1HG       GLU  62  -8.568  12.553  -5.430
  469   2HG   GLU  62          2HG       GLU  62  -7.523  11.334  -6.138
  470    H    ARG  63           H        ARG  63  -5.027  11.797  -5.773
  471    HA   ARG  63           HA       ARG  63  -4.848   9.111  -6.768
  472   1HB   ARG  63          1HB       ARG  63  -3.228  11.609  -7.456
  473   2HB   ARG  63          2HB       ARG  63  -2.977  10.035  -8.213
  474   1HG   ARG  63          1HG       ARG  63  -4.303  11.113  -9.740
  475   2HG   ARG  63          2HG       ARG  63  -5.402  10.044  -8.866
  476   1HD   ARG  63          1HD       ARG  63  -5.673  12.313  -7.385
  477   2HD   ARG  63          2HD       ARG  63  -5.232  13.055  -8.919
  478    HE   ARG  63           HE       ARG  63  -7.108  10.986  -9.287
  479   1HH1  ARG  63          2HH2      ARG  63  -7.092  14.055  -7.499
  480   2HH1  ARG  63          1HH2      ARG  63  -8.803  14.252  -7.528
  481   1HH2  ARG  63          2HH1      ARG  63  -9.385  11.176  -9.192
  482   2HH2  ARG  63          1HH1      ARG  63 -10.045  12.281  -8.121
  483    H    VAL  64           H        VAL  64  -3.510   7.416  -6.321
  484    HA   VAL  64           HA       VAL  64  -0.878   8.128  -5.256
  485    HB   VAL  64           HB       VAL  64  -0.856   6.541  -3.514
  486   1HG1  VAL  64          1HG1      VAL  64  -1.913   8.830  -3.035
  487   2HG1  VAL  64          2HG1      VAL  64  -3.467   8.029  -3.084
  488   3HG1  VAL  64          3HG1      VAL  64  -2.251   7.546  -1.873
  489   1HG2  VAL  64          1HG2      VAL  64  -3.750   5.835  -4.180
  490   2HG2  VAL  64          2HG2      VAL  64  -2.339   4.767  -4.355
  491   3HG2  VAL  64          3HG2      VAL  64  -2.854   5.280  -2.747
  492    H    LEU  65           H        LEU  65   0.743   6.847  -5.733
  493    HA   LEU  65           HA       LEU  65   0.287   4.740  -7.825
  494   1HB   LEU  65          1HB       LEU  65   2.031   6.676  -8.173
  495   2HB   LEU  65          2HB       LEU  65   2.900   5.941  -6.820
  496    HG   LEU  65           HG       LEU  65   3.047   3.790  -8.165
  497   1HD1  LEU  65          3HD1      LEU  65   2.171   5.663 -10.416
  498   2HD1  LEU  65          1HD1      LEU  65   2.807   4.016 -10.618
  499   3HD1  LEU  65          2HD1      LEU  65   1.264   4.264  -9.803
  500   1HD2  LEU  65          3HD2      LEU  65   4.383   6.299  -9.259
  501   2HD2  LEU  65          1HD2      LEU  65   4.936   5.332  -7.876
  502   3HD2  LEU  65          2HD2      LEU  65   4.944   4.631  -9.497
  503    H    MET  66           H        MET  66   1.298   2.592  -7.234
  504    HA   MET  66           HA       MET  66   2.329   2.369  -4.484
  505   1HB   MET  66          1HB       MET  66  -0.053   1.988  -4.249
  506   2HB   MET  66          2HB       MET  66  -0.060   0.834  -5.566
  507   1HG   MET  66          1HG       MET  66   1.366  -0.695  -4.158
  508   2HG   MET  66          2HG       MET  66   1.278   0.498  -2.862
  509   1HE   MET  66          2HE       MET  66  -0.051  -0.440  -0.890
  510   2HE   MET  66          3HE       MET  66  -1.330  -1.656  -1.049
  511   3HE   MET  66          1HE       MET  66   0.318  -2.042  -1.582
  512    H    THR  67           H        THR  67   3.944   0.752  -4.359
  513    HA   THR  67           HA       THR  67   4.406  -0.834  -6.810
  514    HB   THR  67           HB       THR  67   6.725  -0.537  -6.745
  515    HG1  THR  67           HG1      THR  67   7.715   0.813  -5.131
  516   1HG2  THR  67          1HG2      THR  67   5.536   1.463  -7.730
  517   2HG2  THR  67          2HG2      THR  67   5.707   2.288  -6.167
  518   3HG2  THR  67          3HG2      THR  67   7.146   1.835  -7.089
  519    H    LEU  68           H        LEU  68   4.612  -3.030  -6.221
  520    HA   LEU  68           HA       LEU  68   4.790  -3.578  -3.287
  521   1HB   LEU  68          1HB       LEU  68   3.253  -5.301  -3.295
  522   2HB   LEU  68          2HB       LEU  68   2.482  -4.057  -4.247
  523    HG   LEU  68           HG       LEU  68   3.620  -5.437  -6.283
  524   1HD1  LEU  68          3HD1      LEU  68   3.362  -7.515  -4.089
  525   2HD1  LEU  68          1HD1      LEU  68   3.227  -7.925  -5.807
  526   3HD1  LEU  68          2HD1      LEU  68   4.717  -7.239  -5.203
  527   1HD2  LEU  68          2HD2      LEU  68   1.192  -4.996  -5.930
  528   2HD2  LEU  68          3HD2      LEU  68   1.510  -6.602  -6.593
  529   3HD2  LEU  68          1HD2      LEU  68   1.109  -6.411  -4.875
  530    H    GLY  69           H        GLY  69   5.752  -5.774  -2.835
  531   1HA   GLY  69          1HA       GLY  69   6.991  -7.151  -4.973
  532   2HA   GLY  69          2HA       GLY  69   8.183  -6.169  -4.098
  533    H    SER  70           H        SER  70   8.772  -8.635  -4.011
  534    HA   SER  70           HA       SER  70   8.354  -9.419  -1.236
  535   1HB   SER  70          1HB       SER  70   6.615 -10.720  -2.366
  536   2HB   SER  70          2HB       SER  70   7.816 -11.338  -3.529
  537    HG   SER  70           HG       SER  70   7.691 -11.746  -0.724
  538    H    ARG  71           H        ARG  71   9.901 -11.134  -0.710
  539    HA   ARG  71           HA       ARG  71  12.435 -11.005  -2.327
  540   1HB   ARG  71          1HB       ARG  71  12.172 -11.421   0.670
  541   2HB   ARG  71          2HB       ARG  71  13.669 -11.236  -0.227
  542   1HG   ARG  71          1HG       ARG  71  11.590  -9.004   0.112
  543   2HG   ARG  71          2HG       ARG  71  12.940  -9.300   1.180
  544   1HD   ARG  71          1HD       ARG  71  13.862  -7.666  -0.074
  545   2HD   ARG  71          2HD       ARG  71  14.448  -9.073  -0.940
  546    HE   ARG  71           HE       ARG  71  13.221  -8.441  -2.794
  547   1HH1  ARG  71          2HH2      ARG  71  11.972  -6.565  -0.055
  548   2HH1  ARG  71          1HH2      ARG  71  11.265  -5.341  -1.053
  549   1HH2  ARG  71          2HH1      ARG  71  12.494  -6.710  -4.064
  550   2HH2  ARG  71          1HH1      ARG  71  11.403  -5.538  -3.430
  551    H    LYS  72           H        LYS  72   9.837 -13.014  -1.414
  552    HA   LYS  72           HA       LYS  72  11.505 -15.464  -1.527
  553   1HB   LYS  72          1HB       LYS  72   8.756 -14.974  -0.447
  554   2HB   LYS  72          2HB       LYS  72   9.299 -16.596  -0.841
  555   1HG   LYS  72          1HG       LYS  72  10.797 -14.734   1.071
  556   2HG   LYS  72          2HG       LYS  72   9.582 -15.902   1.564
  557   1HD   LYS  72          1HD       LYS  72  11.129 -17.453   1.734
  558   2HD   LYS  72          2HD       LYS  72  11.349 -17.457  -0.001
  559   1HE   LYS  72          1HE       LYS  72  12.835 -15.541   1.866
  560   2HE   LYS  72          2HE       LYS  72  13.402 -17.180   1.543
  561   1HZ   LYS  72          2HZ       LYS  72  13.508 -16.598  -0.825
  562   2HZ   LYS  72          3HZ       LYS  72  13.128 -15.037  -0.488
  563   3HZ   LYS  72          1HZ       LYS  72  14.508 -15.674   0.092
  564    H    VAL  73           H        VAL  73   9.764 -13.579  -3.800
  565    HA   VAL  73           HA       VAL  73   9.248 -16.066  -5.366
  566    HB   VAL  73           HB       VAL  73   7.767 -13.421  -5.509
  567   1HG1  VAL  73          2HG1      VAL  73   7.727 -14.707  -7.612
  568   2HG1  VAL  73          3HG1      VAL  73   7.146 -16.143  -6.735
  569   3HG1  VAL  73          1HG1      VAL  73   6.130 -14.692  -6.860
  570   1HG2  VAL  73          3HG2      VAL  73   6.906 -15.992  -4.116
  571   2HG2  VAL  73          1HG2      VAL  73   7.173 -14.408  -3.358
  572   3HG2  VAL  73          2HG2      VAL  73   5.828 -14.627  -4.473
  573    H    ALA  74           H        ALA  74  10.232 -16.038  -7.416
  574    HA   ALA  74           HA       ALA  74  12.392 -14.121  -7.650
  575   1HB   ALA  74          2HB       ALA  74  12.764 -16.510  -8.122
  576   2HB   ALA  74          3HB       ALA  74  11.594 -16.431  -9.465
  577   3HB   ALA  74          1HB       ALA  74  13.110 -15.514  -9.550
  578    H    GLY  75           H        GLY  75  12.318 -12.227  -8.620
  579   1HA   GLY  75          1HA       GLY  75  10.584 -11.847 -10.992
  580   2HA   GLY  75          2HA       GLY  75  10.847 -10.601  -9.787
  581    H    ARG  76           H        ARG  76  12.121  -9.066 -10.425
  582    HA   ARG  76           HA       ARG  76  14.392  -9.685 -12.248
  583   1HB   ARG  76          1HB       ARG  76  13.440  -6.921 -11.408
  584   2HB   ARG  76          2HB       ARG  76  14.568  -7.352 -12.681
  585   1HG   ARG  76          1HG       ARG  76  11.579  -7.675 -12.630
  586   2HG   ARG  76          2HG       ARG  76  12.538  -6.640 -13.665
  587   1HD   ARG  76          1HD       ARG  76  11.933  -8.259 -15.156
  588   2HD   ARG  76          2HD       ARG  76  13.493  -8.895 -14.627
  589    HE   ARG  76           HE       ARG  76  12.416 -10.726 -13.789
  590   1HH1  ARG  76          2HH2      ARG  76   9.939  -8.087 -13.708
  591   2HH1  ARG  76          1HH2      ARG  76   8.699  -9.220 -13.305
  592   1HH2  ARG  76          2HH1      ARG  76  10.555 -12.123 -13.347
  593   2HH2  ARG  76          1HH1      ARG  76   8.997 -11.359 -13.144
  594    H    ASN  77           H        ASN  77  13.555  -7.893  -9.229
  595    HA   ASN  77           HA       ASN  77  16.407  -7.506  -8.689
  596   1HB   ASN  77          1HB       ASN  77  15.741  -6.296  -6.757
  597   2HB   ASN  77          2HB       ASN  77  14.709  -5.791  -8.077
  598   1HD2  ASN  77          2HD2      ASN  77  11.756  -7.348  -6.477
  599   2HD2  ASN  77          1HD2      ASN  77  12.359  -7.173  -8.068
  600    H    GLY  78           H        GLY  78  17.381  -9.511  -8.429
  601   1HA   GLY  78          1HA       GLY  78  18.050 -11.412  -7.262
  602   2HA   GLY  78          2HA       GLY  78  17.299 -10.722  -5.800
  603    HA   PRO  79           HA       PRO  79  14.392 -14.057  -7.269
  604   1HB   PRO  79          1HB       PRO  79  14.388 -15.713  -5.101
  605   2HB   PRO  79          2HB       PRO  79  15.689 -15.793  -6.326
  606   1HG   PRO  79          1HG       PRO  79  15.739 -14.330  -3.662
  607   2HG   PRO  79          2HG       PRO  79  16.976 -15.439  -4.334
  608   1HD   PRO  79          1HD       PRO  79  17.127 -12.692  -4.552
  609   2HD   PRO  79          2HD       PRO  79  17.784 -13.791  -5.803
  610    H    GLY  80           H        GLY  80  13.669 -11.665  -6.855
  611   1HA   GLY  80          1HA       GLY  80  11.580 -11.448  -4.808
  612   2HA   GLY  80          2HA       GLY  80  12.864 -10.218  -4.947
  613    H    THR  81           H        THR  81   9.791 -10.890  -5.993
  614    HA   THR  81           HA       THR  81  10.180  -9.295  -8.474
  615    HB   THR  81           HB       THR  81   9.189 -11.663  -8.688
  616    HG1  THR  81           HG1      THR  81   8.861  -9.601 -10.077
  617   1HG2  THR  81          3HG2      THR  81   7.642 -11.523  -6.735
  618   2HG2  THR  81          1HG2      THR  81   6.654 -10.367  -7.651
  619   3HG2  THR  81          2HG2      THR  81   6.874 -12.022  -8.254
  620    H    GLY  82           H        GLY  82   8.116  -8.006  -9.045
  621   1HA   GLY  82          1HA       GLY  82   6.404  -7.172  -6.933
  622   2HA   GLY  82          2HA       GLY  82   7.676  -5.977  -7.249
  623    H    PHE  83           H        PHE  83   5.464  -4.906  -7.649
  624    HA   PHE  83           HA       PHE  83   4.772  -5.016 -10.529
  625   1HB   PHE  83          1HB       PHE  83   2.759  -5.299  -8.243
  626   2HB   PHE  83          2HB       PHE  83   2.326  -4.816  -9.847
  627    HD1  PHE  83           HD1      PHE  83   4.150  -7.712  -8.173
  628    HD2  PHE  83           HD2      PHE  83   1.339  -6.415 -11.170
  629    HE1  PHE  83           HE1      PHE  83   3.905 -10.038  -8.964
  630    HE2  PHE  83           HE2      PHE  83   1.119  -8.744 -11.967
  631    HZ   PHE  83           HZ       PHE  83   2.416 -10.556 -10.877
  632    H    LEU  84           H        LEU  84   3.689  -3.170 -11.179
  633    HA   LEU  84           HA       LEU  84   4.098  -0.693  -9.545
  634   1HB   LEU  84          1HB       LEU  84   5.342  -0.819 -11.712
  635   2HB   LEU  84          2HB       LEU  84   3.828  -1.060 -12.576
  636    HG   LEU  84           HG       LEU  84   4.807   1.203 -12.727
  637   1HD1  LEU  84          2HD1      LEU  84   2.337   0.849 -13.006
  638   2HD1  LEU  84          3HD1      LEU  84   2.117   1.439 -11.347
  639   3HD1  LEU  84          1HD1      LEU  84   2.833   2.490 -12.574
  640   1HD2  LEU  84          1HD2      LEU  84   5.712   1.310 -10.397
  641   2HD2  LEU  84          2HD2      LEU  84   4.847   2.758 -10.921
  642   3HD2  LEU  84          3HD2      LEU  84   4.058   1.621  -9.811
  643    H    ILE  85           H        ILE  85   2.104   0.252  -8.898
  644    HA   ILE  85           HA       ILE  85  -0.363  -0.775 -10.141
  645    HB   ILE  85           HB       ILE  85   0.079  -0.591  -7.138
  646   1HG1  ILE  85          1HG1      ILE  85  -0.115  -3.283  -7.426
  647   2HG1  ILE  85          2HG1      ILE  85   0.785  -2.929  -8.877
  648   1HG2  ILE  85          1HG2      ILE  85  -2.070  -1.906  -8.818
  649   2HG2  ILE  85          2HG2      ILE  85  -1.941  -2.082  -7.068
  650   3HG2  ILE  85          3HG2      ILE  85  -2.224  -0.492  -7.779
  651   1HD1  ILE  85          1HD1      ILE  85   2.469  -1.725  -7.443
  652   2HD1  ILE  85          2HD1      ILE  85   1.523  -2.178  -6.010
  653   3HD1  ILE  85          3HD1      ILE  85   2.292  -3.416  -7.022
  654    H    ARG  86           H        ARG  86  -2.181   0.624  -9.799
  655    HA   ARG  86           HA       ARG  86  -1.542   3.431  -8.962
  656   1HB   ARG  86          1HB       ARG  86  -2.829   2.407 -11.536
  657   2HB   ARG  86          2HB       ARG  86  -2.861   4.101 -11.038
  658   1HG   ARG  86          1HG       ARG  86  -0.521   4.369 -11.282
  659   2HG   ARG  86          2HG       ARG  86  -0.202   2.637 -11.360
  660   1HD   ARG  86          1HD       ARG  86  -1.693   4.193 -13.484
  661   2HD   ARG  86          2HD       ARG  86   0.020   3.773 -13.535
  662    HE   ARG  86           HE       ARG  86  -0.566   1.374 -13.548
  663   1HH1  ARG  86          2HH2      ARG  86  -3.036   3.637 -14.691
  664   2HH1  ARG  86          1HH2      ARG  86  -3.867   2.444 -15.634
  665   1HH2  ARG  86          2HH1      ARG  86  -1.642  -0.162 -14.623
  666   2HH2  ARG  86          1HH1      ARG  86  -2.972   0.167 -15.673
  667    H    GLY  87           H        GLY  87  -3.273   4.485  -7.883
  668   1HA   GLY  87          1HA       GLY  87  -6.000   3.589  -8.099
  669   2HA   GLY  87          2HA       GLY  87  -5.219   3.040  -6.603
  670    H    SER  88           H        SER  88  -7.067   4.441  -5.796
  671    HA   SER  88           HA       SER  88  -6.047   7.189  -5.285
  672   1HB   SER  88          1HB       SER  88  -8.940   6.254  -5.436
  673   2HB   SER  88          2HB       SER  88  -8.394   7.860  -4.936
  674    HG   SER  88           HG       SER  88  -8.646   8.277  -6.922
  675    H    ALA  89           H        ALA  89  -6.332   7.897  -3.047
  676    HA   ALA  89           HA       ALA  89  -6.415   5.607  -1.142
  677   1HB   ALA  89          1HB       ALA  89  -4.925   8.242  -1.172
  678   2HB   ALA  89          2HB       ALA  89  -5.037   7.221   0.264
  679   3HB   ALA  89          3HB       ALA  89  -4.262   6.583  -1.197
  680    H    ALA  90           H        ALA  90  -7.134   6.024   1.059
  681    HA   ALA  90           HA       ALA  90  -8.629   8.455   1.681
  682   1HB   ALA  90          3HB       ALA  90 -10.043   5.749   1.509
  683   2HB   ALA  90          1HB       ALA  90 -10.717   7.220   2.248
  684   3HB   ALA  90          2HB       ALA  90 -10.378   7.182   0.507
  685    H    PHE  91           H        PHE  91  -8.077   8.857   3.837
  686    HA   PHE  91           HA       PHE  91  -6.954   6.677   5.467
  687   1HB   PHE  91          1HB       PHE  91  -7.351   9.639   5.908
  688   2HB   PHE  91          2HB       PHE  91  -7.069   8.567   7.256
  689    HD1  PHE  91           HD1      PHE  91  -5.333   8.553   3.838
  690    HD2  PHE  91           HD2      PHE  91  -5.067   9.186   8.107
  691    HE1  PHE  91           HE1      PHE  91  -2.857   8.699   3.697
  692    HE2  PHE  91           HE2      PHE  91  -2.635   9.276   7.952
  693    HZ   PHE  91           HZ       PHE  91  -1.508   9.026   5.751
  694    H    ARG  92           H        ARG  92  -7.846   5.823   7.277
  695    HA   ARG  92           HA       ARG  92 -10.461   6.791   8.263
  696   1HB   ARG  92          1HB       ARG  92  -9.809   3.945   7.405
  697   2HB   ARG  92          2HB       ARG  92 -10.983   4.243   8.679
  698   1HG   ARG  92          1HG       ARG  92 -11.182   5.375   5.864
  699   2HG   ARG  92          2HG       ARG  92 -12.007   3.932   6.414
  700   1HD   ARG  92          1HD       ARG  92 -12.454   6.651   7.708
  701   2HD   ARG  92          2HD       ARG  92 -13.349   6.070   6.326
  702    HE   ARG  92           HE       ARG  92 -13.311   4.550   8.929
  703   1HH1  ARG  92          2HH2      ARG  92 -15.190   5.968   6.277
  704   2HH1  ARG  92          1HH2      ARG  92 -16.718   5.495   6.942
  705   1HH2  ARG  92          2HH1      ARG  92 -15.434   4.353   9.976
  706   2HH2  ARG  92          1HH1      ARG  92 -16.803   4.393   9.032
  707    H    THR  93           H        THR  93 -10.448   6.996  10.450
  708    HA   THR  93           HA       THR  93  -8.456   5.531  12.088
  709    HB   THR  93           HB       THR  93  -8.775   7.566  13.592
  710    HG1  THR  93           HG1      THR  93 -10.487   8.617  12.906
  711   1HG2  THR  93          2HG2      THR  93  -6.772   7.346  12.163
  712   2HG2  THR  93          3HG2      THR  93  -7.630   8.146  10.820
  713   3HG2  THR  93          1HG2      THR  93  -7.288   9.033  12.315
  714    H    ASP  94           H        ASP  94 -11.237   4.802  11.059
  715    HA   ASP  94           HA       ASP  94 -12.576   4.002  13.508
  716   1HB   ASP  94          1HB       ASP  94 -13.477   6.248  13.282
  717   2HB   ASP  94          2HB       ASP  94 -13.646   6.071  11.528
  718    H    GLY  95           H        GLY  95 -14.129   2.387  13.017
  719   1HA   GLY  95          1HA       GLY  95 -15.390   0.958  11.816
  720   2HA   GLY  95          2HA       GLY  95 -14.823   1.702  10.306
  721    HA   PRO  96           HA       PRO  96 -13.267  -2.677  11.026
  722   1HB   PRO  96          1HB       PRO  96 -13.824  -3.617   8.456
  723   2HB   PRO  96          2HB       PRO  96 -14.845  -3.773   9.917
  724   1HG   PRO  96          1HG       PRO  96 -14.991  -1.677   7.740
  725   2HG   PRO  96          2HG       PRO  96 -16.338  -2.569   8.521
  726   1HD   PRO  96          1HD       PRO  96 -15.744  -0.061   9.281
  727   2HD   PRO  96          2HD       PRO  96 -16.127  -1.289  10.526
  728    H    GLU  97           H        GLU  97 -12.408  -0.112   8.992
  729    HA   GLU  97           HA       GLU  97 -10.138  -1.299   7.685
  730   1HB   GLU  97          1HB       GLU  97 -10.831   1.612   8.310
  731   2HB   GLU  97          2HB       GLU  97  -9.470   1.110   7.304
  732   1HG   GLU  97          1HG       GLU  97 -12.402   0.538   6.714
  733   2HG   GLU  97          2HG       GLU  97 -11.444   1.835   6.031
  734    H    PHE  98           H        PHE  98 -10.582   0.940  10.392
  735    HA   PHE  98           HA       PHE  98  -7.877   0.921  11.300
  736   1HB   PHE  98          1HB       PHE  98  -9.632   2.752  11.516
  737   2HB   PHE  98          2HB       PHE  98 -10.328   1.803  12.826
  738    HD1  PHE  98           HD1      PHE  98  -6.947   3.038  11.656
  739    HD2  PHE  98           HD2      PHE  98  -9.630   2.490  14.993
  740    HE1  PHE  98           HE1      PHE  98  -5.285   4.090  13.176
  741    HE2  PHE  98           HE2      PHE  98  -7.983   3.571  16.486
  742    HZ   PHE  98           HZ       PHE  98  -5.800   4.365  15.584
  743    H    GLU  99           H        GLU  99 -10.833  -0.925  12.113
  744    HA   GLU  99           HA       GLU  99  -9.795  -2.269  14.391
  745   1HB   GLU  99          1HB       GLU  99 -11.795  -3.202  12.326
  746   2HB   GLU  99          2HB       GLU  99 -11.540  -3.976  13.880
  747   1HG   GLU  99          1HG       GLU  99 -12.520  -2.234  15.105
  748   2HG   GLU  99          2HG       GLU  99 -12.302  -1.049  13.822
  749    H    ALA 100           H        ALA 100  -9.880  -3.295  10.906
  750    HA   ALA 100           HA       ALA 100  -8.494  -5.738  11.341
  751   1HB   ALA 100          1HB       ALA 100  -8.618  -3.954   8.906
  752   2HB   ALA 100          2HB       ALA 100  -8.038  -5.646   8.900
  753   3HB   ALA 100          3HB       ALA 100  -9.735  -5.282   9.292
  754    H    ILE 101           H        ILE 101  -7.263  -2.418  10.779
  755    HA   ILE 101           HA       ILE 101  -4.517  -3.469  10.912
  756    HB   ILE 101           HB       ILE 101  -3.578  -1.440  10.500
  757   1HG1  ILE 101          1HG1      ILE 101  -5.007   0.618  10.069
  758   2HG1  ILE 101          2HG1      ILE 101  -6.222  -0.224  11.060
  759   1HG2  ILE 101          3HG2      ILE 101  -4.603  -2.662   8.613
  760   2HG2  ILE 101          1HG2      ILE 101  -6.035  -1.608   8.745
  761   3HG2  ILE 101          2HG2      ILE 101  -4.453  -0.920   8.335
  762   1HD1  ILE 101          3HD1      ILE 101  -3.453   0.248  12.094
  763   2HD1  ILE 101          1HD1      ILE 101  -4.675   1.540  12.164
  764   3HD1  ILE 101          2HD1      ILE 101  -4.955   0.019  13.019
  765    H    ALA 102           H        ALA 102  -6.786  -2.527  13.348
  766    HA   ALA 102           HA       ALA 102  -5.255  -1.688  15.424
  767   1HB   ALA 102          2HB       ALA 102  -7.730  -2.024  15.496
  768   2HB   ALA 102          3HB       ALA 102  -7.437  -3.764  15.774
  769   3HB   ALA 102          1HB       ALA 102  -6.872  -2.570  16.944
  770    H    ARG 103           H        ARG 103  -5.104  -4.838  13.999
  771    HA   ARG 103           HA       ARG 103  -3.834  -6.400  15.975
  772   1HB   ARG 103          1HB       ARG 103  -2.842  -7.662  14.105
  773   2HB   ARG 103          2HB       ARG 103  -4.532  -7.277  13.781
  774   1HG   ARG 103          1HG       ARG 103  -3.733  -5.320  12.376
  775   2HG   ARG 103          2HG       ARG 103  -2.092  -5.903  12.564
  776   1HD   ARG 103          1HD       ARG 103  -4.160  -7.828  11.500
  777   2HD   ARG 103          2HD       ARG 103  -3.676  -6.473  10.486
  778    HE   ARG 103           HE       ARG 103  -1.585  -8.218  11.659
  779   1HH1  ARG 103          2HH2      ARG 103  -3.262  -7.165   8.725
  780   2HH1  ARG 103          1HH2      ARG 103  -1.960  -7.490   7.636
  781   1HH2  ARG 103          2HH1      ARG 103   0.202  -8.713  10.211
  782   2HH2  ARG 103          1HH1      ARG 103   0.064  -8.397   8.555
  783    H    PHE 104           H        PHE 104  -2.480  -3.696  14.084
  784    HA   PHE 104           HA       PHE 104   0.268  -4.173  15.099
  785   1HB   PHE 104          1HB       PHE 104  -0.898  -1.716  13.706
  786   2HB   PHE 104          2HB       PHE 104   0.804  -2.172  13.808
  787    HD1  PHE 104           HD2      PHE 104   1.172  -4.787  12.921
  788    HD2  PHE 104           HD1      PHE 104  -1.820  -1.993  11.605
  789    HE1  PHE 104           HE2      PHE 104   0.833  -6.130  10.873
  790    HE2  PHE 104           HE1      PHE 104  -2.178  -3.358   9.538
  791    HZ   PHE 104           HZ       PHE 104  -0.874  -5.417   9.201
  792    H    LYS 105           H        LYS 105   1.266  -2.103  16.438
  793    HA   LYS 105           HA       LYS 105  -0.928  -0.815  17.988
  794   1HB   LYS 105          1HB       LYS 105   0.177  -2.993  18.811
  795   2HB   LYS 105          2HB       LYS 105   1.671  -2.079  18.910
  796   1HG   LYS 105          1HG       LYS 105   0.700  -2.314  20.991
  797   2HG   LYS 105          2HG       LYS 105   0.689  -0.593  20.615
  798   1HD   LYS 105          1HD       LYS 105  -1.404  -1.302  21.730
  799   2HD   LYS 105          2HD       LYS 105  -1.732  -0.665  20.134
  800   1HE   LYS 105          1HE       LYS 105  -1.346  -3.633  20.226
  801   2HE   LYS 105          2HE       LYS 105  -2.684  -3.052  21.213
  802   1HZ   LYS 105          1HZ       LYS 105  -3.631  -1.999  19.237
  803   2HZ   LYS 105          2HZ       LYS 105  -2.414  -2.550  18.295
  804   3HZ   LYS 105          3HZ       LYS 105  -3.426  -3.591  18.956
  805    H    TRP 106           H        TRP 106   1.569  -0.094  15.930
  806    HA   TRP 106           HA       TRP 106   2.175   2.494  17.252
  807   1HB   TRP 106          1HB       TRP 106   4.035   2.464  15.488
  808   2HB   TRP 106          2HB       TRP 106   4.174   1.363  16.837
  809    HD1  TRP 106           HD1      TRP 106   4.853  -0.973  16.271
  810    HE1  TRP 106           HE1      TRP 106   4.915  -2.483  14.196
  811    HE3  TRP 106           HE3      TRP 106   2.526   2.119  12.901
  812    HZ2  TRP 106           HZ2      TRP 106   3.946  -2.427  11.471
  813    HZ3  TRP 106           HZ3      TRP 106   2.111   1.359  10.598
  814    HH2  TRP 106           HH2      TRP 106   2.903  -0.880   9.854
  815    H    ALA 107           H        ALA 107  -0.279   1.443  15.496
  816    HA   ALA 107           HA       ALA 107   0.049   3.028  13.048
  817   1HB   ALA 107          3HB       ALA 107  -1.002   0.802  12.929
  818   2HB   ALA 107          1HB       ALA 107  -2.292   1.355  14.036
  819   3HB   ALA 107          2HB       ALA 107  -2.107   2.096  12.429
  820    H    ARG 108           H        ARG 108  -1.126   4.751  12.516
  821    HA   ARG 108           HA       ARG 108  -2.536   6.314  14.592
  822   1HB   ARG 108          1HB       ARG 108  -0.298   7.096  14.253
  823   2HB   ARG 108          2HB       ARG 108  -0.419   6.945  12.508
  824   1HG   ARG 108          1HG       ARG 108  -0.323   9.228  13.190
  825   2HG   ARG 108          2HG       ARG 108  -1.770   8.832  12.288
  826   1HD   ARG 108          1HD       ARG 108  -3.060   8.831  14.490
  827   2HD   ARG 108          2HD       ARG 108  -1.557   9.284  15.304
  828    HE   ARG 108           HE       ARG 108  -1.755  11.418  14.518
  829   1HH1  ARG 108          2HH2      ARG 108  -4.008   9.420  12.544
  830   2HH1  ARG 108          1HH2      ARG 108  -4.165  10.685  11.348
  831   1HH2  ARG 108          2HH1      ARG 108  -2.191  13.069  12.994
  832   2HH2  ARG 108          1HH1      ARG 108  -3.182  12.719  11.629
  833    H    ALA 109           H        ALA 109  -2.779   4.894  11.443
  834    HA   ALA 109           HA       ALA 109  -5.535   5.566  11.146
  835   1HB   ALA 109          2HB       ALA 109  -3.569   7.374   9.837
  836   2HB   ALA 109          3HB       ALA 109  -4.665   6.598   8.687
  837   3HB   ALA 109          1HB       ALA 109  -5.302   7.554  10.033
  838    H    ALA 110           H        ALA 110  -6.390   4.590   9.166
  839    HA   ALA 110           HA       ALA 110  -4.833   2.316   8.057
  840   1HB   ALA 110          2HB       ALA 110  -6.914   1.652   9.308
  841   2HB   ALA 110          3HB       ALA 110  -7.858   2.753   8.295
  842   3HB   ALA 110          1HB       ALA 110  -7.057   1.352   7.565
  843    H    LEU 111           H        LEU 111  -3.907   3.155   6.287
  844    HA   LEU 111           HA       LEU 111  -5.196   5.163   4.539
  845   1HB   LEU 111          1HB       LEU 111  -2.860   5.462   4.957
  846   2HB   LEU 111          2HB       LEU 111  -2.486   3.770   4.688
  847    HG   LEU 111           HG       LEU 111  -2.800   3.977   2.308
  848   1HD1  LEU 111          3HD1      LEU 111  -3.774   6.803   2.829
  849   2HD1  LEU 111          1HD1      LEU 111  -3.287   6.176   1.243
  850   3HD1  LEU 111          2HD1      LEU 111  -4.679   5.476   2.076
  851   1HD2  LEU 111          3HD2      LEU 111  -0.635   4.671   3.247
  852   2HD2  LEU 111          1HD2      LEU 111  -1.021   5.582   1.780
  853   3HD2  LEU 111          2HD2      LEU 111  -1.216   6.347   3.370
  854    H    VAL 112           H        VAL 112  -6.914   4.209   3.636
  855    HA   VAL 112           HA       VAL 112  -6.893   1.487   2.561
  856    HB   VAL 112           HB       VAL 112  -8.968   3.712   2.312
  857   1HG1  VAL 112          2HG1      VAL 112  -9.150   1.749   0.742
  858   2HG1  VAL 112          3HG1      VAL 112  -9.390   0.715   2.173
  859   3HG1  VAL 112          1HG1      VAL 112 -10.520   2.034   1.804
  860   1HG2  VAL 112          3HG2      VAL 112  -8.764   1.589   4.487
  861   2HG2  VAL 112          1HG2      VAL 112  -8.682   3.351   4.711
  862   3HG2  VAL 112          2HG2      VAL 112 -10.189   2.613   4.179
  863    H    ILE 113           H        ILE 113  -6.445   1.089   0.386
  864    HA   ILE 113           HA       ILE 113  -6.295   3.440  -1.415
  865    HB   ILE 113           HB       ILE 113  -4.502   0.972  -1.431
  866   1HG1  ILE 113          1HG1      ILE 113  -3.783   3.881  -0.795
  867   2HG1  ILE 113          2HG1      ILE 113  -3.941   2.596   0.403
  868   1HG2  ILE 113          1HG2      ILE 113  -5.012   1.798  -3.711
  869   2HG2  ILE 113          2HG2      ILE 113  -4.538   3.438  -3.237
  870   3HG2  ILE 113          3HG2      ILE 113  -3.334   2.131  -3.309
  871   1HD1  ILE 113          1HD1      ILE 113  -2.116   1.330  -0.712
  872   2HD1  ILE 113          2HD1      ILE 113  -1.829   2.757  -1.746
  873   3HD1  ILE 113          3HD1      ILE 113  -1.671   2.887   0.016
  874    H    THR 114           H        THR 114  -7.626   3.225  -3.084
  875    HA   THR 114           HA       THR 114  -9.024   0.654  -3.609
  876    HB   THR 114           HB       THR 114  -9.769   3.485  -4.459
  877    HG1  THR 114           HG1      THR 114 -10.028   3.407  -2.320
  878   1HG2  THR 114          2HG2      THR 114 -11.342   0.860  -4.465
  879   2HG2  THR 114          3HG2      THR 114 -11.969   2.458  -4.929
  880   3HG2  THR 114          1HG2      THR 114 -10.704   1.691  -5.903
  881    H    VAL 115           H        VAL 115  -7.297  -0.273  -4.656
  882    HA   VAL 115           HA       VAL 115  -5.729   0.954  -6.727
  883    HB   VAL 115           HB       VAL 115  -6.333  -1.948  -6.015
  884   1HG1  VAL 115          1HG1      VAL 115  -4.333  -0.774  -7.976
  885   2HG1  VAL 115          2HG1      VAL 115  -4.249  -2.447  -7.346
  886   3HG1  VAL 115          3HG1      VAL 115  -5.612  -1.924  -8.330
  887   1HG2  VAL 115          2HG2      VAL 115  -3.924  -0.166  -5.419
  888   2HG2  VAL 115          3HG2      VAL 115  -5.116  -0.745  -4.236
  889   3HG2  VAL 115          1HG2      VAL 115  -4.047  -1.895  -5.039
  890    H    VAL 116           H        VAL 116  -5.854   0.525  -8.996
  891    HA   VAL 116           HA       VAL 116  -8.575  -0.089 -10.032
  892    HB   VAL 116           HB       VAL 116  -6.520   1.935 -11.016
  893   1HG1  VAL 116          1HG1      VAL 116  -9.223   1.153 -12.203
  894   2HG1  VAL 116          2HG1      VAL 116  -8.204   2.503 -12.746
  895   3HG1  VAL 116          3HG1      VAL 116  -7.631   0.841 -12.931
  896   1HG2  VAL 116          3HG2      VAL 116  -7.855   2.748  -9.076
  897   2HG2  VAL 116          1HG2      VAL 116  -8.303   3.597 -10.555
  898   3HG2  VAL 116          2HG2      VAL 116  -9.349   2.311  -9.916
  899    H    SER 117           H        SER 117  -4.985   0.008 -10.815
  900    HA   SER 117           HA       SER 117  -5.244  -2.768 -11.659
  901   1HB   SER 117          1HB       SER 117  -4.115  -0.633 -13.515
  902   2HB   SER 117          2HB       SER 117  -4.148  -2.373 -13.832
  903    HG   SER 117           HG       SER 117  -5.896  -1.656 -14.861
  904    H    ALA 118           H        ALA 118  -3.450  -3.918 -11.412
  905    HA   ALA 118           HA       ALA 118  -0.854  -2.736 -10.653
  906   1HB   ALA 118          2HB       ALA 118  -1.976  -4.091  -8.809
  907   2HB   ALA 118          3HB       ALA 118  -2.118  -5.438  -9.942
  908   3HB   ALA 118          1HB       ALA 118  -0.514  -4.882  -9.446
  909    H    GLU 119           H        GLU 119   0.851  -3.389 -11.924
  910    HA   GLU 119           HA       GLU 119   0.540  -5.593 -13.850
  911   1HB   GLU 119          1HB       GLU 119   1.617  -4.194 -15.521
  912   2HB   GLU 119          2HB       GLU 119  -0.083  -3.932 -15.200
  913   1HG   GLU 119          1HG       GLU 119   1.980  -2.296 -13.735
  914   2HG   GLU 119          2HG       GLU 119   1.644  -2.004 -15.444
  915    H    GLN 120           H        GLN 120   2.428  -6.728 -14.314
  916    HA   GLN 120           HA       GLN 120   4.341  -6.858 -12.192
  917   1HB   GLN 120          1HB       GLN 120   3.624  -8.867 -13.401
  918   2HB   GLN 120          2HB       GLN 120   4.005  -8.129 -14.946
  919   1HG   GLN 120          1HG       GLN 120   5.565  -9.775 -14.677
  920   2HG   GLN 120          2HG       GLN 120   6.439  -8.299 -14.422
  921   1HE2  GLN 120          2HE2      GLN 120   6.528  -9.633 -10.764
  922   2HE2  GLN 120          1HE2      GLN 120   5.232  -8.578 -11.277
  923    H    THR 121           H        THR 121   6.442  -6.177 -12.020
  924    HA   THR 121           HA       THR 121   7.739  -4.987 -14.374
  925    HB   THR 121           HB       THR 121   8.351  -2.990 -12.989
  926    HG1  THR 121           HG1      THR 121   6.713  -2.543 -11.324
  927   1HG2  THR 121          3HG2      THR 121   6.544  -2.961 -14.758
  928   2HG2  THR 121          1HG2      THR 121   5.352  -3.134 -13.454
  929   3HG2  THR 121          2HG2      THR 121   6.420  -1.714 -13.518
  930    H    LEU 122           H        LEU 122   8.491  -4.920 -10.919
  931    HA   LEU 122           HA       LEU 122  11.245  -5.717 -11.504
  932   1HB   LEU 122          1HB       LEU 122  11.706  -5.013  -9.185
  933   2HB   LEU 122          2HB       LEU 122  11.026  -3.780 -10.213
  934    HG   LEU 122           HG       LEU 122   8.787  -5.000  -8.922
  935   1HD1  LEU 122          2HD1      LEU 122  11.036  -4.406  -6.961
  936   2HD1  LEU 122          3HD1      LEU 122   9.321  -4.572  -6.520
  937   3HD1  LEU 122          1HD1      LEU 122  10.180  -5.951  -7.214
  938   1HD2  LEU 122          1HD2      LEU 122   8.970  -2.653  -9.626
  939   2HD2  LEU 122          2HD2      LEU 122   8.456  -2.807  -7.942
  940   3HD2  LEU 122          3HD2      LEU 122  10.136  -2.350  -8.318
  941    HN3  FMN 123           HN3      FMN 123   2.890   2.503   8.736
  942    H6   FMN 123           H6       FMN 123   8.113  -0.734   5.664
  943   1HM7  FMN 123          1HM7      FMN 123  10.928   0.013   3.713
  944   2HM7  FMN 123          2HM7      FMN 123  11.494  -1.014   5.043
  945   3HM7  FMN 123          3HM7      FMN 123   9.919  -1.326   4.280
  946   1HM8  FMN 123          1HM8      FMN 123  12.395   2.781   6.045
  947   2HM8  FMN 123          2HM8      FMN 123  12.698   1.067   5.717
  948   3HM8  FMN 123          3HM8      FMN 123  11.966   2.112   4.470
  949    H9   FMN 123           H9       FMN 123  10.513   3.310   7.239
  950   1H1*  FMN 123          1H1*      FMN 123   8.302   4.542   9.744
  951   2H1*  FMN 123          2H1*      FMN 123   9.633   4.375   8.671
  952    H2*  FMN 123           H2*      FMN 123   8.579   6.499   8.318
  953   *HO2  FMN 123          *HO2      FMN 123   6.530   6.631   8.619
  954    H3*  FMN 123           H3*      FMN 123   8.443   4.490   6.114
  955   *HO3  FMN 123          *HO3      FMN 123   9.931   6.538   5.519
  956    H4*  FMN 123           H4*      FMN 123   6.600   5.854   5.507
  957   *HO4  FMN 123          *HO4      FMN 123   8.891   6.522   4.009
  958   1H5*  FMN 123          1H5*      FMN 123   6.728   8.181   4.863
  959   2H5*  FMN 123          2H5*      FMN 123   6.966   7.998   6.590
   
  No H/Q in entry =         959
  Start of MODEL   12
    1   1H    MET   1          2H        MET   1  -8.560  -3.784 -11.082
    2   2H    MET   1          3H        MET   1 -10.175  -4.019 -10.764
    3   3H    MET   1          1H        MET   1  -9.083  -3.992  -9.542
    4    HA   MET   1           HA       MET   1  -9.501  -6.199  -9.746
    5   1HB   MET   1          1HB       MET   1  -9.246  -5.785 -12.748
    6   2HB   MET   1          2HB       MET   1  -9.375  -7.363 -11.947
    7   1HG   MET   1          1HG       MET   1 -11.567  -6.744 -11.015
    8   2HG   MET   1          2HG       MET   1 -11.475  -5.164 -11.812
    9   1HE   MET   1          3HE       MET   1 -13.939  -7.216 -12.087
   10   2HE   MET   1          1HE       MET   1 -13.894  -5.617 -12.871
   11   3HE   MET   1          2HE       MET   1 -14.280  -7.066 -13.824
   12    H    LEU   2           H        LEU   2  -7.790  -7.938  -9.867
   13    HA   LEU   2           HA       LEU   2  -5.069  -6.890 -10.320
   14   1HB   LEU   2          1HB       LEU   2  -6.295  -8.030  -7.766
   15   2HB   LEU   2          2HB       LEU   2  -4.595  -8.187  -8.089
   16    HG   LEU   2           HG       LEU   2  -5.025  -6.415  -6.539
   17   1HD1  LEU   2          3HD1      LEU   2  -3.079  -6.260  -8.111
   18   2HD1  LEU   2          1HD1      LEU   2  -4.061  -5.204  -9.154
   19   3HD1  LEU   2          2HD1      LEU   2  -3.639  -4.706  -7.499
   20   1HD2  LEU   2          1HD2      LEU   2  -7.270  -5.754  -7.724
   21   2HD2  LEU   2          2HD2      LEU   2  -6.314  -4.562  -6.819
   22   3HD2  LEU   2          3HD2      LEU   2  -6.239  -4.597  -8.586
   23    HA   PRO   3           HA       PRO   3  -4.694 -11.174 -11.713
   24   1HB   PRO   3          1HB       PRO   3  -1.974 -11.591 -11.433
   25   2HB   PRO   3          2HB       PRO   3  -2.669 -10.569 -12.710
   26   1HG   PRO   3          1HG       PRO   3  -1.467  -9.694 -10.093
   27   2HG   PRO   3          2HG       PRO   3  -1.221  -8.996 -11.722
   28   1HD   PRO   3          1HD       PRO   3  -2.964  -7.931  -9.899
   29   2HD   PRO   3          2HD       PRO   3  -3.268  -7.870 -11.660
   30    H    GLY   4           H        GLY   4  -4.079 -13.366 -10.820
   31   1HA   GLY   4          1HA       GLY   4  -4.580 -13.757  -8.053
   32   2HA   GLY   4          2HA       GLY   4  -3.811 -14.926  -9.143
   33    H    THR   5           H        THR   5  -1.496 -13.921  -9.897
   34    HA   THR   5           HA       THR   5   0.254 -14.099  -7.956
   35    HB   THR   5           HB       THR   5   0.775 -12.559 -10.468
   36    HG1  THR   5           HG1      THR   5   0.476 -15.329  -9.876
   37   1HG2  THR   5          2HG2      THR   5   2.740 -12.744  -8.891
   38   2HG2  THR   5          3HG2      THR   5   2.510 -14.500  -8.859
   39   3HG2  THR   5          1HG2      THR   5   2.965 -13.694 -10.373
   40    H    PHE   6           H        PHE   6  -1.342 -10.997  -8.558
   41    HA   PHE   6           HA       PHE   6   0.421  -9.404  -6.942
   42   1HB   PHE   6          1HB       PHE   6  -1.303  -8.264  -8.115
   43   2HB   PHE   6          2HB       PHE   6  -2.558  -9.336  -7.502
   44    HD1  PHE   6           HD2      PHE   6  -0.099  -6.784  -6.344
   45    HD2  PHE   6           HD1      PHE   6  -3.824  -8.789  -5.610
   46    HE1  PHE   6           HE2      PHE   6  -0.521  -5.281  -4.394
   47    HE2  PHE   6           HE1      PHE   6  -4.262  -7.289  -3.685
   48    HZ   PHE   6           HZ       PHE   6  -2.587  -5.561  -3.060
   49    H    PHE   7           H        PHE   7  -2.369 -11.454  -6.033
   50    HA   PHE   7           HA       PHE   7  -2.098 -11.005  -3.215
   51   1HB   PHE   7          1HB       PHE   7  -3.505 -13.305  -4.610
   52   2HB   PHE   7          2HB       PHE   7  -3.732 -12.762  -2.958
   53    HD1  PHE   7           HD1      PHE   7  -4.722 -10.394  -2.551
   54    HD2  PHE   7           HD2      PHE   7  -4.714 -12.303  -6.416
   55    HE1  PHE   7           HE1      PHE   7  -6.496  -8.831  -3.353
   56    HE2  PHE   7           HE2      PHE   7  -6.465 -10.753  -7.198
   57    HZ   PHE   7           HZ       PHE   7  -7.379  -9.021  -5.650
   58    H    GLU   8           H        GLU   8  -1.033 -13.667  -5.423
   59    HA   GLU   8           HA       GLU   8   0.128 -15.345  -3.478
   60   1HB   GLU   8          1HB       GLU   8   1.110 -14.837  -6.292
   61   2HB   GLU   8          2HB       GLU   8   1.560 -16.205  -5.308
   62   1HG   GLU   8          1HG       GLU   8  -0.395 -17.341  -5.607
   63   2HG   GLU   8          2HG       GLU   8  -1.382 -15.896  -5.651
   64    H    VAL   9           H        VAL   9   1.577 -12.442  -5.060
   65    HA   VAL   9           HA       VAL   9   4.115 -12.807  -3.707
   66    HB   VAL   9           HB       VAL   9   2.916 -10.451  -5.212
   67   1HG1  VAL   9          3HG1      VAL   9   4.669  -9.672  -3.552
   68   2HG1  VAL   9          1HG1      VAL   9   5.801 -10.808  -4.307
   69   3HG1  VAL   9          2HG1      VAL   9   5.151  -9.464  -5.248
   70   1HG2  VAL   9          3HG2      VAL   9   5.072 -12.526  -5.881
   71   2HG2  VAL   9          1HG2      VAL   9   3.475 -12.429  -6.616
   72   3HG2  VAL   9          2HG2      VAL   9   4.661 -11.148  -6.910
   73    H    LEU  10           H        LEU  10   1.163 -10.796  -2.996
   74    HA   LEU  10           HA       LEU  10   2.285  -9.653  -0.616
   75   1HB   LEU  10          1HB       LEU  10  -0.595 -10.214  -1.397
   76   2HB   LEU  10          2HB       LEU  10  -0.149  -9.521   0.155
   77    HG   LEU  10           HG       LEU  10   0.274  -8.237  -2.567
   78   1HD1  LEU  10          3HD1      LEU  10  -1.439  -7.595  -0.115
   79   2HD1  LEU  10          1HD1      LEU  10  -1.257  -6.534  -1.515
   80   3HD1  LEU  10          2HD1      LEU  10  -2.006  -8.129  -1.717
   81   1HD2  LEU  10          3HD2      LEU  10   1.138  -7.220   0.179
   82   2HD2  LEU  10          1HD2      LEU  10   2.196  -7.565  -1.213
   83   3HD2  LEU  10          2HD2      LEU  10   1.053  -6.231  -1.297
   84    H    LYS  11           H        LYS  11   0.752 -12.806  -1.126
   85    HA   LYS  11           HA       LYS  11   0.476 -13.633   1.579
   86   1HB   LYS  11          1HB       LYS  11   1.255 -15.237  -0.886
   87   2HB   LYS  11          2HB       LYS  11   0.918 -15.976   0.655
   88   1HG   LYS  11          1HG       LYS  11  -1.204 -14.169  -0.507
   89   2HG   LYS  11          2HG       LYS  11  -0.922 -15.744  -1.261
   90   1HD   LYS  11          1HD       LYS  11  -1.268 -16.846   0.940
   91   2HD   LYS  11          2HD       LYS  11  -1.632 -15.255   1.659
   92   1HE   LYS  11          1HE       LYS  11  -3.510 -14.953   0.089
   93   2HE   LYS  11          2HE       LYS  11  -3.094 -16.458  -0.742
   94   1HZ   LYS  11          3HZ       LYS  11  -3.625 -17.663   1.272
   95   2HZ   LYS  11          1HZ       LYS  11  -4.018 -16.270   2.059
   96   3HZ   LYS  11          2HZ       LYS  11  -4.918 -16.779   0.778
   97    H    ASN  12           H        ASN  12   3.405 -12.959  -0.169
   98    HA   ASN  12           HA       ASN  12   5.062 -14.441   1.812
   99   1HB   ASN  12          1HB       ASN  12   5.697 -13.319  -0.964
  100   2HB   ASN  12          2HB       ASN  12   6.911 -13.889   0.172
  101   1HD2  ASN  12          2HD2      ASN  12   4.666 -16.693  -1.785
  102   2HD2  ASN  12          1HD2      ASN  12   4.046 -15.064  -1.806
  103    H    GLU  13           H        GLU  13   6.873 -13.131   2.713
  104    HA   GLU  13           HA       GLU  13   6.096 -10.372   3.216
  105   1HB   GLU  13          1HB       GLU  13   7.191 -11.814   4.895
  106   2HB   GLU  13          2HB       GLU  13   8.663 -11.869   3.909
  107   1HG   GLU  13          1HG       GLU  13   9.063  -9.519   4.221
  108   2HG   GLU  13          2HG       GLU  13   7.426  -9.235   4.816
  109    H    GLY  14           H        GLY  14   7.335  -8.502   2.664
  110   1HA   GLY  14          1HA       GLY  14   9.340  -8.358   0.687
  111   2HA   GLY  14          2HA       GLY  14   7.702  -8.206  -0.021
  112    H    VAL  15           H        VAL  15   9.021  -6.031  -0.364
  113    HA   VAL  15           HA       VAL  15   8.263  -4.133   1.782
  114    HB   VAL  15           HB       VAL  15  10.407  -3.916  -0.382
  115   1HG1  VAL  15          1HG1      VAL  15   9.506  -1.810   1.639
  116   2HG1  VAL  15          2HG1      VAL  15  10.950  -1.695   0.612
  117   3HG1  VAL  15          3HG1      VAL  15   9.354  -1.709  -0.128
  118   1HG2  VAL  15          2HG2      VAL  15  10.541  -3.963   2.658
  119   2HG2  VAL  15          3HG2      VAL  15  11.155  -5.213   1.562
  120   3HG2  VAL  15          1HG2      VAL  15  11.914  -3.600   1.606
  121    H    VAL  16           H        VAL  16   7.057  -2.391   1.052
  122    HA   VAL  16           HA       VAL  16   5.985  -2.421  -1.677
  123    HB   VAL  16           HB       VAL  16   4.370  -1.940   0.850
  124   1HG1  VAL  16          1HG1      VAL  16   3.395  -0.760  -1.095
  125   2HG1  VAL  16          2HG1      VAL  16   3.335  -2.297  -1.983
  126   3HG1  VAL  16          3HG1      VAL  16   2.356  -2.056  -0.537
  127   1HG2  VAL  16          1HG2      VAL  16   4.585  -4.450  -0.801
  128   2HG2  VAL  16          2HG2      VAL  16   4.760  -4.238   0.948
  129   3HG2  VAL  16          3HG2      VAL  16   3.167  -4.123   0.210
  130    H    ALA  17           H        ALA  17   5.187  -0.192  -2.183
  131    HA   ALA  17           HA       ALA  17   6.045   1.915  -0.416
  132   1HB   ALA  17          3HB       ALA  17   8.019   1.354  -2.006
  133   2HB   ALA  17          1HB       ALA  17   6.985   1.919  -3.311
  134   3HB   ALA  17          2HB       ALA  17   7.464   3.032  -2.026
  135    H    ILE  18           H        ILE  18   4.981   3.965  -1.056
  136    HA   ILE  18           HA       ILE  18   2.618   3.652  -2.826
  137    HB   ILE  18           HB       ILE  18   2.589   4.568   0.074
  138   1HG1  ILE  18          1HG1      ILE  18   0.830   2.320  -0.922
  139   2HG1  ILE  18          2HG1      ILE  18   2.506   1.948  -0.554
  140   1HG2  ILE  18          2HG2      ILE  18   0.319   4.483  -1.967
  141   2HG2  ILE  18          3HG2      ILE  18   0.124   4.835  -0.233
  142   3HG2  ILE  18          1HG2      ILE  18   1.047   5.935  -1.246
  143   1HD1  ILE  18          2HD1      ILE  18   2.287   2.873   1.707
  144   2HD1  ILE  18          3HD1      ILE  18   0.560   3.179   1.401
  145   3HD1  ILE  18          1HD1      ILE  18   1.201   1.513   1.384
  146    H    ALA  19           H        ALA  19   2.858   5.372  -4.217
  147    HA   ALA  19           HA       ALA  19   4.328   7.808  -3.423
  148   1HB   ALA  19          2HB       ALA  19   4.266   6.418  -5.811
  149   2HB   ALA  19          3HB       ALA  19   3.052   7.661  -6.095
  150   3HB   ALA  19          1HB       ALA  19   4.689   8.134  -5.630
  151    H    THR  20           H        THR  20   3.045   9.081  -2.130
  152    HA   THR  20           HA       THR  20   0.171   9.184  -2.573
  153    HB   THR  20           HB       THR  20   1.773  10.896  -0.627
  154    HG1  THR  20           HG1      THR  20   2.296   9.229   0.457
  155   1HG2  THR  20          2HG2      THR  20  -0.796  11.091  -0.979
  156   2HG2  THR  20          3HG2      THR  20  -0.905   9.420  -0.416
  157   3HG2  THR  20          1HG2      THR  20  -0.288  10.686   0.659
  158    H    GLN  21           H        GLN  21  -0.833  10.838  -3.972
  159    HA   GLN  21           HA       GLN  21   0.946  12.725  -5.182
  160   1HB   GLN  21          1HB       GLN  21  -1.070  11.737  -6.399
  161   2HB   GLN  21          2HB       GLN  21  -2.147  12.574  -5.311
  162   1HG   GLN  21          1HG       GLN  21  -1.822  13.738  -7.472
  163   2HG   GLN  21          2HG       GLN  21  -1.335  14.745  -6.113
  164   1HE2  GLN  21          2HE2      GLN  21   1.913  15.199  -7.430
  165   2HE2  GLN  21          1HE2      GLN  21   0.657  15.735  -6.326
  166    H    GLY  22           H        GLY  22   1.610  14.646  -4.310
  167   1HA   GLY  22          1HA       GLY  22  -0.112  15.884  -2.179
  168   2HA   GLY  22          2HA       GLY  22   1.624  15.650  -2.010
  169    H    GLU  23           H        GLU  23   3.106  16.872  -3.347
  170    HA   GLU  23           HA       GLU  23   2.106  19.265  -4.750
  171   1HB   GLU  23          1HB       GLU  23   1.989  19.753  -2.240
  172   2HB   GLU  23          2HB       GLU  23   3.690  19.383  -2.125
  173   1HG   GLU  23          1HG       GLU  23   3.795  21.666  -2.267
  174   2HG   GLU  23          2HG       GLU  23   3.948  21.291  -3.983
  175    H    ASP  24           H        ASP  24   4.956  17.922  -2.964
  176    HA   ASP  24           HA       ASP  24   6.908  18.793  -4.894
  177   1HB   ASP  24          1HB       ASP  24   8.461  17.873  -3.251
  178   2HB   ASP  24          2HB       ASP  24   7.257  18.861  -2.444
  179    H    GLY  25           H        GLY  25   5.044  17.092  -6.140
  180   1HA   GLY  25          1HA       GLY  25   5.201  15.253  -7.646
  181   2HA   GLY  25          2HA       GLY  25   6.766  14.804  -6.922
  182    HA   PRO  26           HA       PRO  26   3.113  12.626  -4.750
  183   1HB   PRO  26          1HB       PRO  26   3.368  10.050  -5.772
  184   2HB   PRO  26          2HB       PRO  26   2.111  11.215  -6.175
  185   1HG   PRO  26          1HG       PRO  26   4.665  10.585  -7.674
  186   2HG   PRO  26          2HG       PRO  26   3.047  10.933  -8.359
  187   1HD   PRO  26          1HD       PRO  26   5.062  12.801  -8.269
  188   2HD   PRO  26          2HD       PRO  26   3.338  13.255  -8.089
  189    H    HIS  27           H        HIS  27   3.715  11.411  -2.977
  190    HA   HIS  27           HA       HIS  27   6.680  11.362  -2.601
  191   1HB   HIS  27          1HB       HIS  27   5.112  12.759  -1.124
  192   2HB   HIS  27          2HB       HIS  27   4.539  11.265  -0.446
  193    HD1  HIS  27           HD1      HIS  27   8.214  12.309  -1.223
  194    HD2  HIS  27           HD2      HIS  27   5.665  11.204   1.973
  195    HE1  HIS  27           HE1      HIS  27   9.660  12.193   0.867
  196    H    LEU  28           H        LEU  28   7.481   9.355  -3.137
  197    HA   LEU  28           HA       LEU  28   5.935   6.949  -2.664
  198   1HB   LEU  28          1HB       LEU  28   7.320   7.387  -4.671
  199   2HB   LEU  28          2HB       LEU  28   8.771   7.257  -3.682
  200    HG   LEU  28           HG       LEU  28   8.404   4.896  -3.306
  201   1HD1  LEU  28          3HD1      LEU  28   5.693   5.322  -4.622
  202   2HD1  LEU  28          1HD1      LEU  28   6.391   3.732  -4.363
  203   3HD1  LEU  28          2HD1      LEU  28   6.029   4.763  -2.968
  204   1HD2  LEU  28          3HD2      LEU  28   9.277   5.507  -5.575
  205   2HD2  LEU  28          1HD2      LEU  28   8.336   4.000  -5.598
  206   3HD2  LEU  28          2HD2      LEU  28   7.608   5.502  -6.197
  207    H    VAL  29           H        VAL  29   5.584   6.862  -0.469
  208    HA   VAL  29           HA       VAL  29   7.816   6.609   1.425
  209    HB   VAL  29           HB       VAL  29   6.068   6.357   3.091
  210   1HG1  VAL  29          3HG1      VAL  29   6.708   8.657   2.210
  211   2HG1  VAL  29          1HG1      VAL  29   5.251   8.611   1.205
  212   3HG1  VAL  29          2HG1      VAL  29   5.111   8.556   2.966
  213   1HG2  VAL  29          2HG2      VAL  29   4.352   5.082   1.778
  214   2HG2  VAL  29          3HG2      VAL  29   3.717   6.447   2.712
  215   3HG2  VAL  29          1HG2      VAL  29   3.920   6.610   0.971
  216    H    ASN  30           H        ASN  30   7.628   4.543   3.004
  217    HA   ASN  30           HA       ASN  30   7.266   2.135   1.271
  218   1HB   ASN  30          1HB       ASN  30   9.500   2.825   3.176
  219   2HB   ASN  30          2HB       ASN  30   9.118   1.147   2.841
  220   1HD2  ASN  30          2HD2      ASN  30  10.022   1.524  -0.699
  221   2HD2  ASN  30          1HD2      ASN  30   8.623   0.901   0.176
  222    H    THR  31           H        THR  31   7.031   0.066   2.393
  223    HA   THR  31           HA       THR  31   6.354  -0.173   5.109
  224    HB   THR  31           HB       THR  31   4.302   0.967   4.483
  225    HG1  THR  31           HG1      THR  31   3.774  -0.349   6.004
  226   1HG2  THR  31          1HG2      THR  31   4.204   0.185   2.051
  227   2HG2  THR  31          2HG2      THR  31   3.547  -1.346   2.709
  228   3HG2  THR  31          3HG2      THR  31   2.691   0.181   2.963
  229    H    TRP  32           H        TRP  32   5.283  -2.531   5.280
  230    HA   TRP  32           HA       TRP  32   6.811  -4.371   3.492
  231   1HB   TRP  32          1HB       TRP  32   6.403  -4.535   6.499
  232   2HB   TRP  32          2HB       TRP  32   6.926  -5.889   5.513
  233    HD1  TRP  32           HD1      TRP  32   8.150  -2.523   6.768
  234    HE1  TRP  32           HE1      TRP  32  10.685  -2.348   6.508
  235    HE3  TRP  32           HE3      TRP  32   8.999  -6.980   4.453
  236    HZ2  TRP  32           HZ2      TRP  32  12.822  -3.924   5.328
  237    HZ3  TRP  32           HZ3      TRP  32  11.280  -7.677   3.827
  238    HH2  TRP  32           HH2      TRP  32  13.212  -6.154   4.218
  239    H    ASN  33           H        ASN  33   5.713  -6.237   2.769
  240    HA   ASN  33           HA       ASN  33   2.911  -6.237   2.545
  241   1HB   ASN  33          1HB       ASN  33   4.667  -8.732   2.703
  242   2HB   ASN  33          2HB       ASN  33   3.074  -8.618   1.984
  243   1HD2  ASN  33          2HD2      ASN  33   5.261  -8.639  -0.917
  244   2HD2  ASN  33          1HD2      ASN  33   4.492  -9.766   0.212
  245    H    SER  34           H        SER  34   5.004  -7.427   5.036
  246    HA   SER  34           HA       SER  34   3.468  -9.163   6.576
  247   1HB   SER  34          1HB       SER  34   5.984  -8.583   6.363
  248   2HB   SER  34          2HB       SER  34   5.674  -7.265   7.487
  249    HG   SER  34           HG       SER  34   6.446  -9.527   8.081
  250    H    TYR  35           H        TYR  35   3.038  -5.758   6.184
  251    HA   TYR  35           HA       TYR  35   1.575  -5.484   8.776
  252   1HB   TYR  35          1HB       TYR  35   2.794  -3.342   7.006
  253   2HB   TYR  35          2HB       TYR  35   2.044  -3.107   8.571
  254    HD1  TYR  35           HD1      TYR  35   3.652  -5.691   9.803
  255    HD2  TYR  35           HD2      TYR  35   4.686  -2.038   7.744
  256    HE1  TYR  35           HE1      TYR  35   5.845  -5.678  10.921
  257    HE2  TYR  35           HE2      TYR  35   6.860  -1.989   8.905
  258    HH   TYR  35           HH       TYR  35   8.300  -3.145  10.357
  259    H    LEU  36           H        LEU  36   0.966  -5.953   5.440
  260    HA   LEU  36           HA       LEU  36  -1.137  -3.835   5.342
  261   1HB   LEU  36          1HB       LEU  36  -0.122  -5.711   3.160
  262   2HB   LEU  36          2HB       LEU  36  -1.287  -4.402   2.961
  263    HG   LEU  36           HG       LEU  36   1.685  -4.172   3.532
  264   1HD1  LEU  36          2HD1      LEU  36   0.975  -4.473   1.188
  265   2HD1  LEU  36          3HD1      LEU  36  -0.119  -3.076   1.333
  266   3HD1  LEU  36          1HD1      LEU  36   1.637  -2.850   1.470
  267   1HD2  LEU  36          3HD2      LEU  36  -0.465  -2.039   3.718
  268   2HD2  LEU  36          1HD2      LEU  36   0.722  -2.491   4.966
  269   3HD2  LEU  36          2HD2      LEU  36   1.267  -1.668   3.513
  270    H    LYS  37           H        LYS  37  -3.273  -4.336   4.527
  271    HA   LYS  37           HA       LYS  37  -3.970  -7.208   4.632
  272   1HB   LYS  37          1HB       LYS  37  -5.944  -6.938   5.898
  273   2HB   LYS  37          2HB       LYS  37  -4.582  -6.355   6.858
  274   1HG   LYS  37          1HG       LYS  37  -5.211  -4.105   6.622
  275   2HG   LYS  37          2HG       LYS  37  -6.314  -4.418   5.273
  276   1HD   LYS  37          1HD       LYS  37  -6.942  -5.693   7.906
  277   2HD   LYS  37          2HD       LYS  37  -7.192  -3.965   7.695
  278   1HE   LYS  37          1HE       LYS  37  -9.273  -4.912   7.192
  279   2HE   LYS  37          2HE       LYS  37  -8.583  -4.368   5.670
  280   1HZ   LYS  37          2HZ       LYS  37  -8.537  -7.185   6.594
  281   2HZ   LYS  37          3HZ       LYS  37  -9.664  -6.550   5.593
  282   3HZ   LYS  37          1HZ       LYS  37  -8.139  -6.648   5.075
  283    H    VAL  38           H        VAL  38  -5.541  -7.825   3.193
  284    HA   VAL  38           HA       VAL  38  -6.452  -5.768   1.245
  285    HB   VAL  38           HB       VAL  38  -5.920  -8.737   1.138
  286   1HG1  VAL  38          2HG1      VAL  38  -7.284  -7.120  -1.052
  287   2HG1  VAL  38          3HG1      VAL  38  -6.693  -8.799  -1.175
  288   3HG1  VAL  38          1HG1      VAL  38  -8.026  -8.425  -0.100
  289   1HG2  VAL  38          1HG2      VAL  38  -3.980  -7.258   0.774
  290   2HG2  VAL  38          2HG2      VAL  38  -4.397  -8.187  -0.669
  291   3HG2  VAL  38          3HG2      VAL  38  -4.848  -6.479  -0.565
  292    H    LEU  39           H        LEU  39  -8.678  -5.875   0.629
  293    HA   LEU  39           HA       LEU  39 -10.607  -7.187   2.392
  294   1HB   LEU  39          1HB       LEU  39 -10.497  -4.247   1.642
  295   2HB   LEU  39          2HB       LEU  39 -12.048  -5.022   1.917
  296    HG   LEU  39           HG       LEU  39  -9.809  -4.850   3.956
  297   1HD1  LEU  39          2HD1      LEU  39 -12.463  -3.360   3.729
  298   2HD1  LEU  39          3HD1      LEU  39 -11.349  -3.259   5.096
  299   3HD1  LEU  39          1HD1      LEU  39 -10.851  -2.673   3.494
  300   1HD2  LEU  39          3HD2      LEU  39 -12.675  -5.875   4.218
  301   2HD2  LEU  39          1HD2      LEU  39 -11.219  -6.861   4.393
  302   3HD2  LEU  39          2HD2      LEU  39 -11.597  -5.590   5.581
  303    H    ASP  40           H        ASP  40 -12.876  -6.811   1.063
  304    HA   ASP  40           HA       ASP  40 -12.386  -8.060  -1.475
  305   1HB   ASP  40          1HB       ASP  40 -14.343  -8.559   0.086
  306   2HB   ASP  40          2HB       ASP  40 -15.065  -7.048  -0.506
  307    H    GLY  41           H        GLY  41 -14.133  -6.888  -3.266
  308   1HA   GLY  41          1HA       GLY  41 -13.935  -5.416  -5.013
  309   2HA   GLY  41          2HA       GLY  41 -14.050  -4.184  -3.743
  310    H    ASN  42           H        ASN  42 -11.408  -6.398  -3.794
  311    HA   ASN  42           HA       ASN  42  -9.227  -6.199  -3.802
  312   1HB   ASN  42          1HB       ASN  42  -8.072  -5.599  -5.687
  313   2HB   ASN  42          2HB       ASN  42  -9.577  -6.328  -6.206
  314   1HD2  ASN  42          2HD2      ASN  42  -9.291  -2.206  -6.853
  315   2HD2  ASN  42          1HD2      ASN  42  -8.687  -2.924  -5.379
  316    H    ARG  43           H        ARG  43 -10.619  -4.255  -2.127
  317    HA   ARG  43           HA       ARG  43  -8.928  -1.844  -2.089
  318   1HB   ARG  43          1HB       ARG  43 -11.177  -1.707  -1.310
  319   2HB   ARG  43          2HB       ARG  43 -10.993  -3.091  -0.238
  320   1HG   ARG  43          1HG       ARG  43  -9.594  -1.885   1.283
  321   2HG   ARG  43          2HG       ARG  43  -9.389  -0.532   0.158
  322   1HD   ARG  43          1HD       ARG  43 -12.118  -1.352   1.231
  323   2HD   ARG  43          2HD       ARG  43 -11.044  -0.243   2.081
  324    HE   ARG  43           HE       ARG  43 -11.269   0.629  -0.612
  325   1HH1  ARG  43          2HH2      ARG  43 -13.105   0.614   2.453
  326   2HH1  ARG  43          1HH2      ARG  43 -14.225   1.809   1.963
  327   1HH2  ARG  43          2HH1      ARG  43 -12.522   2.343  -1.193
  328   2HH2  ARG  43          1HH1      ARG  43 -13.857   2.898  -0.224
  329    H    ILE  44           H        ILE  44  -7.283  -1.401  -0.507
  330    HA   ILE  44           HA       ILE  44  -6.236  -3.716   0.989
  331    HB   ILE  44           HB       ILE  44  -4.437  -1.716  -0.429
  332   1HG1  ILE  44          1HG1      ILE  44  -5.000  -4.503  -1.580
  333   2HG1  ILE  44          2HG1      ILE  44  -5.770  -3.052  -2.203
  334   1HG2  ILE  44          2HG2      ILE  44  -4.056  -4.569   0.677
  335   2HG2  ILE  44          3HG2      ILE  44  -2.761  -3.634  -0.065
  336   3HG2  ILE  44          1HG2      ILE  44  -3.460  -3.093   1.444
  337   1HD1  ILE  44          1HD1      ILE  44  -3.631  -2.026  -2.729
  338   2HD1  ILE  44          2HD1      ILE  44  -2.775  -3.487  -2.213
  339   3HD1  ILE  44          3HD1      ILE  44  -3.893  -3.560  -3.583
  340    H    VAL  45           H        VAL  45  -4.783  -2.771   2.811
  341    HA   VAL  45           HA       VAL  45  -5.402   0.000   3.537
  342    HB   VAL  45           HB       VAL  45  -5.816  -2.291   5.449
  343   1HG1  VAL  45          2HG1      VAL  45  -5.308  -0.128   6.498
  344   2HG1  VAL  45          3HG1      VAL  45  -6.652   0.621   5.614
  345   3HG1  VAL  45          1HG1      VAL  45  -6.962  -0.618   6.856
  346   1HG2  VAL  45          1HG2      VAL  45  -8.058  -0.869   3.986
  347   2HG2  VAL  45          2HG2      VAL  45  -7.627  -2.587   3.836
  348   3HG2  VAL  45          3HG2      VAL  45  -8.253  -1.975   5.366
  349    H    VAL  46           H        VAL  46  -3.764   0.852   4.644
  350    HA   VAL  46           HA       VAL  46  -1.356  -0.747   5.242
  351    HB   VAL  46           HB       VAL  46  -1.677   2.103   4.235
  352   1HG1  VAL  46          3HG1      VAL  46   0.334   1.862   5.604
  353   2HG1  VAL  46          1HG1      VAL  46   0.852   0.466   4.637
  354   3HG1  VAL  46          2HG1      VAL  46   0.763   2.088   3.912
  355   1HG2  VAL  46          2HG2      VAL  46  -2.249   0.415   2.450
  356   2HG2  VAL  46          3HG2      VAL  46  -0.944   1.511   2.097
  357   3HG2  VAL  46          1HG2      VAL  46  -0.567  -0.157   2.559
  358    HA   PRO  47           HA       PRO  47  -2.382   1.176   9.276
  359   1HB   PRO  47          1HB       PRO  47  -0.285   0.216  10.743
  360   2HB   PRO  47          2HB       PRO  47  -1.692  -0.785  10.295
  361   1HG   PRO  47          1HG       PRO  47   0.978  -0.638   8.883
  362   2HG   PRO  47          2HG       PRO  47   0.075  -2.099   9.393
  363   1HD   PRO  47          1HD       PRO  47   0.010  -1.104   6.860
  364   2HD   PRO  47          2HD       PRO  47  -1.461  -1.816   7.598
  365    H    VAL  48           H        VAL  48  -2.063   3.355   9.150
  366    HA   VAL  48           HA       VAL  48   0.641   4.374   8.618
  367    HB   VAL  48           HB       VAL  48  -0.913   5.549   7.270
  368   1HG1  VAL  48          1HG1      VAL  48  -2.565   5.818   9.677
  369   2HG1  VAL  48          2HG1      VAL  48  -2.846   6.741   8.179
  370   3HG1  VAL  48          3HG1      VAL  48  -2.979   4.987   8.160
  371   1HG2  VAL  48          3HG2      VAL  48   0.803   6.834   8.770
  372   2HG2  VAL  48          1HG2      VAL  48  -0.442   7.757   7.928
  373   3HG2  VAL  48          2HG2      VAL  48  -0.624   7.396   9.657
  374    H    GLY  49           H        GLY  49   1.903   4.479  10.282
  375   1HA   GLY  49          1HA       GLY  49   0.885   5.238  12.970
  376   2HA   GLY  49          2HA       GLY  49   2.338   4.263  12.651
  377    H    GLY  50           H        GLY  50   3.123   6.133  10.279
  378   1HA   GLY  50          1HA       GLY  50   3.566   8.710  11.539
  379   2HA   GLY  50          2HA       GLY  50   4.978   7.646  11.425
  380    H    MET  51           H        MET  51   2.226   7.935   9.177
  381    HA   MET  51           HA       MET  51   4.059   8.899   7.035
  382   1HB   MET  51          1HB       MET  51   1.469   7.343   6.735
  383   2HB   MET  51          2HB       MET  51   2.369   8.049   5.419
  384   1HG   MET  51          1HG       MET  51   4.183   6.648   5.650
  385   2HG   MET  51          2HG       MET  51   3.729   6.143   7.276
  386   1HE   MET  51          3HE       MET  51   4.659   4.010   6.016
  387   2HE   MET  51          1HE       MET  51   3.707   3.042   4.865
  388   3HE   MET  51          2HE       MET  51   4.470   4.568   4.357
  389    H    HIS  52           H        HIS  52   3.700  10.951   8.274
  390    HA   HIS  52           HA       HIS  52   0.966  12.039   8.398
  391   1HB   HIS  52          1HB       HIS  52   3.589  13.061   9.518
  392   2HB   HIS  52          2HB       HIS  52   2.049  13.930   9.614
  393    HD1  HIS  52           HD1      HIS  52   3.938  11.614  11.699
  394    HD2  HIS  52           HD2      HIS  52  -0.074  12.112  10.553
  395    HE1  HIS  52           HE1      HIS  52   2.529  10.314  13.408
  396    H    LYS  53           H        LYS  53   4.045  12.838   6.615
  397    HA   LYS  53           HA       LYS  53   2.772  15.139   5.359
  398   1HB   LYS  53          1HB       LYS  53   5.292  14.689   5.369
  399   2HB   LYS  53          2HB       LYS  53   5.004  13.527   4.072
  400   1HG   LYS  53          1HG       LYS  53   3.643  16.119   3.605
  401   2HG   LYS  53          2HG       LYS  53   5.369  16.317   3.824
  402   1HD   LYS  53          1HD       LYS  53   4.300  14.234   1.885
  403   2HD   LYS  53          2HD       LYS  53   4.386  15.950   1.447
  404   1HE   LYS  53          1HE       LYS  53   6.799  15.988   2.081
  405   2HE   LYS  53          2HE       LYS  53   6.746  14.233   2.352
  406   1HZ   LYS  53          3HZ       LYS  53   6.002  15.482  -0.251
  407   2HZ   LYS  53          1HZ       LYS  53   7.487  15.142   0.047
  408   3HZ   LYS  53          2HZ       LYS  53   6.414  13.898   0.059
  409    H    THR  54           H        THR  54   2.997  11.731   4.487
  410    HA   THR  54           HA       THR  54   1.347  11.762   2.255
  411    HB   THR  54           HB       THR  54   2.163   9.801   4.350
  412    HG1  THR  54           HG1      THR  54   3.649  10.331   2.966
  413   1HG2  THR  54          2HG2      THR  54   0.287   9.091   2.072
  414   2HG2  THR  54          3HG2      THR  54   1.308   7.930   2.940
  415   3HG2  THR  54          1HG2      THR  54   0.047   8.829   3.798
  416    H    GLU  55           H        GLU  55   0.282  11.673   5.753
  417    HA   GLU  55           HA       GLU  55  -2.481  11.435   5.187
  418   1HB   GLU  55          1HB       GLU  55  -1.417  11.345   7.462
  419   2HB   GLU  55          2HB       GLU  55  -1.220  13.091   7.418
  420   1HG   GLU  55          1HG       GLU  55  -3.552  13.513   7.433
  421   2HG   GLU  55          2HG       GLU  55  -3.949  11.852   6.989
  422    H    ALA  56           H        ALA  56  -0.467  14.389   5.419
  423    HA   ALA  56           HA       ALA  56  -2.584  16.196   4.699
  424   1HB   ALA  56          1HB       ALA  56  -0.453  16.954   5.711
  425   2HB   ALA  56          2HB       ALA  56   0.417  16.502   4.227
  426   3HB   ALA  56          3HB       ALA  56  -0.795  17.795   4.184
  427    H    ASN  57           H        ASN  57  -0.132  14.503   2.718
  428    HA   ASN  57           HA       ASN  57  -0.871  15.575   0.209
  429   1HB   ASN  57          1HB       ASN  57   0.253  12.872   0.983
  430   2HB   ASN  57          2HB       ASN  57  -0.056  13.263  -0.672
  431   1HD2  ASN  57          2HD2      ASN  57   3.358  14.183  -0.663
  432   2HD2  ASN  57          1HD2      ASN  57   2.264  12.859  -1.029
  433    H    VAL  58           H        VAL  58  -2.242  12.637   1.856
  434    HA   VAL  58           HA       VAL  58  -4.075  12.082  -0.269
  435    HB   VAL  58           HB       VAL  58  -4.209  11.198   2.644
  436   1HG1  VAL  58          2HG1      VAL  58  -5.714  10.234   0.169
  437   2HG1  VAL  58          3HG1      VAL  58  -5.719   9.408   1.743
  438   3HG1  VAL  58          1HG1      VAL  58  -6.432  11.025   1.585
  439   1HG2  VAL  58          3HG2      VAL  58  -3.205   9.845   0.095
  440   2HG2  VAL  58          1HG2      VAL  58  -2.265  10.224   1.548
  441   3HG2  VAL  58          2HG2      VAL  58  -3.493   8.978   1.620
  442    H    ALA  59           H        ALA  59  -4.406  13.952   2.776
  443    HA   ALA  59           HA       ALA  59  -7.147  14.620   2.451
  444   1HB   ALA  59          3HB       ALA  59  -5.867  14.979   4.544
  445   2HB   ALA  59          1HB       ALA  59  -4.918  16.251   3.741
  446   3HB   ALA  59          2HB       ALA  59  -6.661  16.470   3.991
  447    H    ARG  60           H        ARG  60  -4.264  15.945   0.828
  448    HA   ARG  60           HA       ARG  60  -5.835  18.121  -0.407
  449   1HB   ARG  60          1HB       ARG  60  -3.020  17.022  -0.833
  450   2HB   ARG  60          2HB       ARG  60  -3.716  18.307  -1.817
  451   1HG   ARG  60          1HG       ARG  60  -3.818  19.829   0.024
  452   2HG   ARG  60          2HG       ARG  60  -3.452  18.560   1.204
  453   1HD   ARG  60          1HD       ARG  60  -1.480  20.023   0.651
  454   2HD   ARG  60          2HD       ARG  60  -1.212  18.298   0.388
  455    HE   ARG  60           HE       ARG  60  -1.579  18.611  -1.991
  456   1HH1  ARG  60          2HH2      ARG  60  -0.614  21.586  -0.228
  457   2HH1  ARG  60          1HH2      ARG  60   0.111  22.249  -1.669
  458   1HH2  ARG  60          2HH1      ARG  60  -0.660  19.609  -3.756
  459   2HH2  ARG  60          1HH1      ARG  60  -0.102  21.235  -3.718
  460    H    ASP  61           H        ASP  61  -4.340  14.997  -1.539
  461    HA   ASP  61           HA       ASP  61  -6.186  15.003  -3.844
  462   1HB   ASP  61          1HB       ASP  61  -4.121  16.269  -4.435
  463   2HB   ASP  61          2HB       ASP  61  -3.149  14.859  -4.023
  464    H    GLU  62           H        GLU  62  -6.915  12.992  -4.252
  465    HA   GLU  62           HA       GLU  62  -6.330  10.850  -2.434
  466   1HB   GLU  62          1HB       GLU  62  -8.105   9.684  -3.622
  467   2HB   GLU  62          2HB       GLU  62  -8.585  11.382  -3.520
  468   1HG   GLU  62          1HG       GLU  62  -7.657  11.727  -5.849
  469   2HG   GLU  62          2HG       GLU  62  -7.325   9.990  -5.933
  470    H    ARG  63           H        ARG  63  -4.788  11.681  -5.431
  471    HA   ARG  63           HA       ARG  63  -4.657   9.106  -6.643
  472   1HB   ARG  63          1HB       ARG  63  -3.142  11.645  -7.096
  473   2HB   ARG  63          2HB       ARG  63  -2.542  10.168  -7.818
  474   1HG   ARG  63          1HG       ARG  63  -3.916  11.563  -9.339
  475   2HG   ARG  63          2HG       ARG  63  -4.495   9.922  -9.119
  476   1HD   ARG  63          1HD       ARG  63  -6.424  11.044  -9.055
  477   2HD   ARG  63          2HD       ARG  63  -6.035  10.908  -7.324
  478    HE   ARG  63           HE       ARG  63  -5.012  13.144  -7.644
  479   1HH1  ARG  63          2HH2      ARG  63  -8.398  12.126  -8.125
  480   2HH1  ARG  63          1HH2      ARG  63  -8.978  13.691  -8.312
  481   1HH2  ARG  63          2HH1      ARG  63  -5.829  15.211  -7.685
  482   2HH2  ARG  63          1HH1      ARG  63  -7.510  15.565  -7.929
  483    H    VAL  64           H        VAL  64  -3.568   7.284  -6.111
  484    HA   VAL  64           HA       VAL  64  -0.868   7.769  -5.129
  485    HB   VAL  64           HB       VAL  64  -0.872   6.152  -3.441
  486   1HG1  VAL  64          2HG1      VAL  64  -1.696   8.488  -2.853
  487   2HG1  VAL  64          3HG1      VAL  64  -3.323   7.848  -2.847
  488   3HG1  VAL  64          1HG1      VAL  64  -2.099   7.223  -1.703
  489   1HG2  VAL  64          1HG2      VAL  64  -2.558   4.529  -4.266
  490   2HG2  VAL  64          2HG2      VAL  64  -2.882   4.991  -2.595
  491   3HG2  VAL  64          3HG2      VAL  64  -3.855   5.690  -3.910
  492    H    LEU  65           H        LEU  65   0.619   6.357  -5.632
  493    HA   LEU  65           HA       LEU  65  -0.115   4.208  -7.595
  494   1HB   LEU  65          1HB       LEU  65   1.152   5.964  -8.663
  495   2HB   LEU  65          2HB       LEU  65   2.351   5.999  -7.387
  496    HG   LEU  65           HG       LEU  65   1.993   3.429  -8.930
  497   1HD1  LEU  65          3HD1      LEU  65   3.494   5.879  -9.933
  498   2HD1  LEU  65          1HD1      LEU  65   3.600   4.250 -10.627
  499   3HD1  LEU  65          2HD1      LEU  65   2.066   5.129 -10.681
  500   1HD2  LEU  65          2HD2      LEU  65   3.612   3.521  -7.012
  501   2HD2  LEU  65          3HD2      LEU  65   4.416   3.242  -8.562
  502   3HD2  LEU  65          1HD2      LEU  65   4.459   4.850  -7.818
  503    H    MET  66           H        MET  66   0.941   2.137  -7.002
  504    HA   MET  66           HA       MET  66   2.191   2.087  -4.298
  505   1HB   MET  66          1HB       MET  66  -0.263   1.889  -4.034
  506   2HB   MET  66          2HB       MET  66  -0.283   0.529  -5.153
  507   1HG   MET  66          1HG       MET  66   1.109  -0.775  -3.529
  508   2HG   MET  66          2HG       MET  66   1.054   0.610  -2.427
  509   1HE   MET  66          3HE       MET  66  -0.207  -0.354  -0.317
  510   2HE   MET  66          1HE       MET  66  -1.601  -1.441  -0.411
  511   3HE   MET  66          2HE       MET  66  -0.020  -1.998  -0.990
  512    H    THR  67           H        THR  67   4.029   0.833  -4.481
  513    HA   THR  67           HA       THR  67   4.046  -1.173  -6.691
  514    HB   THR  67           HB       THR  67   6.476  -0.995  -6.684
  515    HG1  THR  67           HG1      THR  67   6.419  -0.202  -4.377
  516   1HG2  THR  67          3HG2      THR  67   5.231   0.677  -8.127
  517   2HG2  THR  67          1HG2      THR  67   5.373   1.848  -6.791
  518   3HG2  THR  67          2HG2      THR  67   6.827   1.241  -7.582
  519    H    LEU  68           H        LEU  68   4.195  -3.316  -5.931
  520    HA   LEU  68           HA       LEU  68   5.025  -3.690  -3.084
  521   1HB   LEU  68          1HB       LEU  68   3.501  -5.330  -2.588
  522   2HB   LEU  68          2HB       LEU  68   2.539  -4.102  -3.374
  523    HG   LEU  68           HG       LEU  68   1.715  -6.212  -4.071
  524   1HD1  LEU  68          3HD1      LEU  68   2.003  -4.444  -5.816
  525   2HD1  LEU  68          1HD1      LEU  68   3.456  -5.283  -6.360
  526   3HD1  LEU  68          2HD1      LEU  68   1.900  -6.111  -6.436
  527   1HD2  LEU  68          2HD2      LEU  68   3.725  -7.573  -3.498
  528   2HD2  LEU  68          3HD2      LEU  68   2.743  -8.050  -4.891
  529   3HD2  LEU  68          1HD2      LEU  68   4.291  -7.243  -5.161
  530    H    GLY  69           H        GLY  69   5.951  -5.958  -2.735
  531   1HA   GLY  69          1HA       GLY  69   6.665  -7.455  -5.050
  532   2HA   GLY  69          2HA       GLY  69   8.043  -6.507  -4.448
  533    H    SER  70           H        SER  70   8.824  -8.812  -4.166
  534    HA   SER  70           HA       SER  70   8.513  -9.488  -1.340
  535   1HB   SER  70          1HB       SER  70   6.818 -10.919  -2.376
  536   2HB   SER  70          2HB       SER  70   8.033 -11.569  -3.503
  537    HG   SER  70           HG       SER  70   7.924 -11.797  -0.664
  538    H    ARG  71           H        ARG  71  10.061 -11.287  -0.904
  539    HA   ARG  71           HA       ARG  71  12.647 -10.985  -2.356
  540   1HB   ARG  71          1HB       ARG  71  12.360 -11.446   0.647
  541   2HB   ARG  71          2HB       ARG  71  13.850 -11.225  -0.286
  542   1HG   ARG  71          1HG       ARG  71  12.783  -8.924  -0.995
  543   2HG   ARG  71          2HG       ARG  71  11.715  -9.169   0.394
  544   1HD   ARG  71          1HD       ARG  71  13.680  -9.307   1.883
  545   2HD   ARG  71          2HD       ARG  71  14.763  -9.088   0.503
  546    HE   ARG  71           HE       ARG  71  13.254  -7.086   1.934
  547   1HH1  ARG  71          2HH2      ARG  71  14.630  -7.750  -1.278
  548   2HH1  ARG  71          1HH2      ARG  71  14.820  -6.096  -1.714
  549   1HH2  ARG  71          2HH1      ARG  71  13.507  -4.860   1.360
  550   2HH2  ARG  71          1HH1      ARG  71  14.183  -4.413  -0.156
  551    H    LYS  72           H        LYS  72  10.058 -13.017  -1.812
  552    HA   LYS  72           HA       LYS  72  11.665 -15.508  -1.772
  553   1HB   LYS  72          1HB       LYS  72   8.712 -14.950  -1.391
  554   2HB   LYS  72          2HB       LYS  72   9.390 -16.568  -1.470
  555   1HG   LYS  72          1HG       LYS  72  10.214 -14.487   0.623
  556   2HG   LYS  72          2HG       LYS  72   8.973 -15.703   0.839
  557   1HD   LYS  72          1HD       LYS  72  10.513 -17.020   1.673
  558   2HD   LYS  72          2HD       LYS  72  11.088 -17.309   0.048
  559   1HE   LYS  72          1HE       LYS  72  12.130 -15.014   1.786
  560   2HE   LYS  72          2HE       LYS  72  12.733 -16.659   1.964
  561   1HZ   LYS  72          3HZ       LYS  72  13.387 -16.589  -0.394
  562   2HZ   LYS  72          1HZ       LYS  72  13.004 -14.990  -0.466
  563   3HZ   LYS  72          2HZ       LYS  72  14.183 -15.494   0.532
  564    H    VAL  73           H        VAL  73  10.403 -13.458  -4.265
  565    HA   VAL  73           HA       VAL  73  10.450 -15.821  -6.044
  566    HB   VAL  73           HB       VAL  73   8.393 -13.582  -6.122
  567   1HG1  VAL  73          3HG1      VAL  73   9.000 -14.435  -8.379
  568   2HG1  VAL  73          1HG1      VAL  73   8.664 -16.095  -7.840
  569   3HG1  VAL  73          2HG1      VAL  73   7.357 -14.899  -7.941
  570   1HG2  VAL  73          1HG2      VAL  73   8.042 -16.503  -5.340
  571   2HG2  VAL  73          2HG2      VAL  73   7.784 -15.082  -4.302
  572   3HG2  VAL  73          3HG2      VAL  73   6.713 -15.372  -5.670
  573    H    ALA  74           H        ALA  74  11.548 -15.346  -7.959
  574    HA   ALA  74           HA       ALA  74  13.328 -13.057  -7.770
  575   1HB   ALA  74          3HB       ALA  74  14.248 -15.292  -8.323
  576   2HB   ALA  74          1HB       ALA  74  13.220 -15.350  -9.781
  577   3HB   ALA  74          2HB       ALA  74  14.510 -14.141  -9.650
  578    H    GLY  75           H        GLY  75  13.306 -11.240  -9.001
  579   1HA   GLY  75          1HA       GLY  75  11.332 -11.038 -11.214
  580   2HA   GLY  75          2HA       GLY  75  11.670  -9.743 -10.052
  581    H    ARG  76           H        ARG  76  12.526  -8.252 -11.268
  582    HA   ARG  76           HA       ARG  76  14.753  -8.790 -13.160
  583   1HB   ARG  76          1HB       ARG  76  12.946  -6.402 -12.581
  584   2HB   ARG  76          2HB       ARG  76  14.475  -6.199 -13.419
  585   1HG   ARG  76          1HG       ARG  76  12.487  -6.367 -14.925
  586   2HG   ARG  76          2HG       ARG  76  13.815  -7.458 -15.280
  587   1HD   ARG  76          1HD       ARG  76  11.733  -8.595 -15.646
  588   2HD   ARG  76          2HD       ARG  76  12.580  -9.351 -14.292
  589    HE   ARG  76           HE       ARG  76  10.699  -7.321 -13.417
  590   1HH1  ARG  76          2HH2      ARG  76  10.641 -10.624 -14.762
  591   2HH1  ARG  76          1HH2      ARG  76   9.114 -10.983 -13.995
  592   1HH2  ARG  76          2HH1      ARG  76   8.963  -8.054 -12.123
  593   2HH2  ARG  76          1HH1      ARG  76   8.125  -9.509 -12.591
  594    H    ASN  77           H        ASN  77  13.990  -6.703 -10.251
  595    HA   ASN  77           HA       ASN  77  16.913  -6.351  -9.950
  596   1HB   ASN  77          1HB       ASN  77  16.277  -5.132  -7.843
  597   2HB   ASN  77          2HB       ASN  77  15.839  -4.401  -9.374
  598   1HD2  ASN  77          2HD2      ASN  77  12.428  -5.912  -7.805
  599   2HD2  ASN  77          1HD2      ASN  77  13.761  -7.017  -7.905
  600    H    GLY  78           H        GLY  78  17.758  -8.333  -9.546
  601   1HA   GLY  78          1HA       GLY  78  18.561 -10.003  -8.168
  602   2HA   GLY  78          2HA       GLY  78  17.895  -9.101  -6.792
  603    HA   PRO  79           HA       PRO  79  15.258 -12.869  -7.270
  604   1HB   PRO  79          1HB       PRO  79  15.729 -14.131  -4.909
  605   2HB   PRO  79          2HB       PRO  79  16.848 -14.252  -6.301
  606   1HG   PRO  79          1HG       PRO  79  17.060 -12.371  -3.921
  607   2HG   PRO  79          2HG       PRO  79  18.327 -13.453  -4.584
  608   1HD   PRO  79          1HD       PRO  79  18.131 -10.799  -5.270
  609   2HD   PRO  79          2HD       PRO  79  18.700 -12.040  -6.427
  610    H    GLY  80           H        GLY  80  14.220 -10.501  -7.054
  611   1HA   GLY  80          1HA       GLY  80  12.119 -10.773  -5.035
  612   2HA   GLY  80          2HA       GLY  80  13.058  -9.262  -5.016
  613    H    THR  81           H        THR  81  10.298 -10.640  -6.302
  614    HA   THR  81           HA       THR  81  10.368  -8.762  -8.629
  615    HB   THR  81           HB       THR  81  10.072 -11.282  -9.039
  616    HG1  THR  81           HG1      THR  81   9.370  -9.299 -10.315
  617   1HG2  THR  81          1HG2      THR  81   8.388 -11.703  -7.254
  618   2HG2  THR  81          2HG2      THR  81   7.207 -10.774  -8.202
  619   3HG2  THR  81          3HG2      THR  81   7.907 -12.255  -8.876
  620    H    GLY  82           H        GLY  82   8.117  -7.860  -9.209
  621   1HA   GLY  82          1HA       GLY  82   6.148  -7.566  -7.135
  622   2HA   GLY  82          2HA       GLY  82   7.305  -6.218  -7.183
  623    H    PHE  83           H        PHE  83   5.093  -5.178  -7.600
  624    HA   PHE  83           HA       PHE  83   4.522  -4.989 -10.501
  625   1HB   PHE  83          1HB       PHE  83   2.314  -5.179  -8.414
  626   2HB   PHE  83          2HB       PHE  83   2.100  -5.026 -10.098
  627    HD1  PHE  83           HD1      PHE  83   3.503  -7.445  -7.558
  628    HD2  PHE  83           HD2      PHE  83   1.502  -6.900 -11.342
  629    HE1  PHE  83           HE1      PHE  83   3.032  -9.863  -7.667
  630    HE2  PHE  83           HE2      PHE  83   1.126  -9.343 -11.486
  631    HZ   PHE  83           HZ       PHE  83   1.876 -10.816  -9.637
  632    H    LEU  84           H        LEU  84   3.446  -3.087 -11.035
  633    HA   LEU  84           HA       LEU  84   3.687  -0.778  -9.167
  634   1HB   LEU  84          1HB       LEU  84   5.089  -0.653 -11.188
  635   2HB   LEU  84          2HB       LEU  84   3.683  -0.904 -12.224
  636    HG   LEU  84           HG       LEU  84   3.677   1.401 -10.249
  637   1HD1  LEU  84          2HD1      LEU  84   5.122   1.368 -12.930
  638   2HD1  LEU  84          3HD1      LEU  84   4.809   2.819 -11.957
  639   3HD1  LEU  84          1HD1      LEU  84   5.864   1.552 -11.323
  640   1HD2  LEU  84          2HD2      LEU  84   2.569   1.101 -13.082
  641   2HD2  LEU  84          3HD2      LEU  84   1.609   1.025 -11.603
  642   3HD2  LEU  84          1HD2      LEU  84   2.395   2.537 -12.050
  643    H    ILE  85           H        ILE  85   1.654   0.077  -8.577
  644    HA   ILE  85           HA       ILE  85  -0.723  -0.809 -10.107
  645    HB   ILE  85           HB       ILE  85  -0.536  -0.722  -7.056
  646   1HG1  ILE  85          1HG1      ILE  85   0.064  -3.076  -8.879
  647   2HG1  ILE  85          2HG1      ILE  85   1.081  -2.410  -7.629
  648   1HG2  ILE  85          2HG2      ILE  85  -2.799  -0.612  -8.068
  649   2HG2  ILE  85          3HG2      ILE  85  -2.485  -2.106  -8.948
  650   3HG2  ILE  85          1HG2      ILE  85  -2.580  -2.092  -7.180
  651   1HD1  ILE  85          1HD1      ILE  85  -1.488  -3.942  -7.091
  652   2HD1  ILE  85          2HD1      ILE  85   0.144  -4.533  -6.964
  653   3HD1  ILE  85          3HD1      ILE  85  -0.398  -3.230  -5.873
  654    H    ARG  86           H        ARG  86  -2.597   0.643  -9.710
  655    HA   ARG  86           HA       ARG  86  -1.922   3.319  -8.544
  656   1HB   ARG  86          1HB       ARG  86  -3.479   2.776 -11.102
  657   2HB   ARG  86          2HB       ARG  86  -3.275   4.361 -10.351
  658   1HG   ARG  86          1HG       ARG  86  -0.901   4.394 -10.830
  659   2HG   ARG  86          2HG       ARG  86  -0.913   2.695 -11.308
  660   1HD   ARG  86          1HD       ARG  86  -2.655   3.407 -13.121
  661   2HD   ARG  86          2HD       ARG  86  -2.113   5.054 -12.786
  662    HE   ARG  86           HE       ARG  86  -0.206   4.624 -13.977
  663   1HH1  ARG  86          2HH2      ARG  86  -1.572   1.423 -13.044
  664   2HH1  ARG  86          1HH2      ARG  86  -0.445   0.545 -14.000
  665   1HH2  ARG  86          2HH1      ARG  86   1.276   3.328 -15.320
  666   2HH2  ARG  86          1HH1      ARG  86   1.102   1.596 -15.224
  667    H    GLY  87           H        GLY  87  -3.678   4.367  -7.483
  668   1HA   GLY  87          1HA       GLY  87  -6.391   3.486  -7.683
  669   2HA   GLY  87          2HA       GLY  87  -5.617   2.874  -6.204
  670    H    SER  88           H        SER  88  -7.528   4.342  -5.481
  671    HA   SER  88           HA       SER  88  -6.525   7.109  -4.982
  672   1HB   SER  88          1HB       SER  88  -9.304   5.914  -4.620
  673   2HB   SER  88          2HB       SER  88  -8.830   7.580  -4.264
  674    HG   SER  88           HG       SER  88  -9.379   7.945  -6.194
  675    H    ALA  89           H        ALA  89  -6.062   7.662  -2.816
  676    HA   ALA  89           HA       ALA  89  -6.304   5.480  -0.804
  677   1HB   ALA  89          1HB       ALA  89  -4.568   7.964  -0.809
  678   2HB   ALA  89          2HB       ALA  89  -4.687   6.813   0.537
  679   3HB   ALA  89          3HB       ALA  89  -4.044   6.267  -1.013
  680    H    ALA  90           H        ALA  90  -6.968   6.063   1.355
  681    HA   ALA  90           HA       ALA  90  -8.166   8.697   1.851
  682   1HB   ALA  90          2HB       ALA  90  -9.883   6.166   1.830
  683   2HB   ALA  90          3HB       ALA  90 -10.387   7.752   2.452
  684   3HB   ALA  90          1HB       ALA  90 -10.038   7.553   0.726
  685    H    PHE  91           H        PHE  91  -7.459   9.162   3.923
  686    HA   PHE  91           HA       PHE  91  -6.685   7.033   5.774
  687   1HB   PHE  91          1HB       PHE  91  -6.803  10.052   5.943
  688   2HB   PHE  91          2HB       PHE  91  -6.636   9.070   7.381
  689    HD1  PHE  91           HD1      PHE  91  -4.941   8.910   3.937
  690    HD2  PHE  91           HD2      PHE  91  -4.549   9.216   8.229
  691    HE1  PHE  91           HE1      PHE  91  -2.475   8.823   3.740
  692    HE2  PHE  91           HE2      PHE  91  -2.119   9.175   8.010
  693    HZ   PHE  91           HZ       PHE  91  -1.053   8.925   5.775
  694    H    ARG  92           H        ARG  92  -7.945   6.112   7.249
  695    HA   ARG  92           HA       ARG  92 -10.479   7.313   8.195
  696   1HB   ARG  92          1HB       ARG  92  -9.979   4.475   7.217
  697   2HB   ARG  92          2HB       ARG  92 -11.174   4.787   8.441
  698   1HG   ARG  92          1HG       ARG  92 -11.808   4.562   5.858
  699   2HG   ARG  92          2HG       ARG  92 -12.725   5.531   7.015
  700   1HD   ARG  92          1HD       ARG  92 -11.470   7.513   6.381
  701   2HD   ARG  92          2HD       ARG  92 -10.636   6.591   5.088
  702    HE   ARG  92           HE       ARG  92 -13.386   6.376   4.670
  703   1HH1  ARG  92          2HH2      ARG  92 -11.010   8.993   5.077
  704   2HH1  ARG  92          1HH2      ARG  92 -11.826  10.148   4.092
  705   1HH2  ARG  92          2HH1      ARG  92 -14.561   7.954   3.354
  706   2HH2  ARG  92          1HH1      ARG  92 -13.905   9.523   3.075
  707    H    THR  93           H        THR  93 -10.828   7.123  10.354
  708    HA   THR  93           HA       THR  93  -8.953   5.549  12.023
  709    HB   THR  93           HB       THR  93  -9.404   7.387  13.722
  710    HG1  THR  93           HG1      THR  93 -11.106   8.437  12.883
  711   1HG2  THR  93          2HG2      THR  93  -7.263   7.296  12.515
  712   2HG2  THR  93          3HG2      THR  93  -7.953   8.261  11.184
  713   3HG2  THR  93          1HG2      THR  93  -7.775   8.968  12.802
  714    H    ASP  94           H        ASP  94 -11.460   4.731  10.644
  715    HA   ASP  94           HA       ASP  94 -13.159   3.840  12.783
  716   1HB   ASP  94          1HB       ASP  94 -14.074   6.079  12.512
  717   2HB   ASP  94          2HB       ASP  94 -13.956   5.979  10.753
  718    H    GLY  95           H        GLY  95 -14.867   2.490  11.691
  719   1HA   GLY  95          1HA       GLY  95 -15.735   1.104  10.127
  720   2HA   GLY  95          2HA       GLY  95 -14.581   1.721   8.932
  721    HA   PRO  96           HA       PRO  96 -13.685  -2.702  10.291
  722   1HB   PRO  96          1HB       PRO  96 -13.840  -3.953   7.835
  723   2HB   PRO  96          2HB       PRO  96 -15.223  -3.702   8.945
  724   1HG   PRO  96          1HG       PRO  96 -14.411  -2.013   6.564
  725   2HG   PRO  96          2HG       PRO  96 -16.046  -2.608   6.997
  726   1HD   PRO  96          1HD       PRO  96 -15.246  -0.085   7.606
  727   2HD   PRO  96          2HD       PRO  96 -16.261  -1.023   8.745
  728    H    GLU  97           H        GLU  97 -12.401  -0.602   7.760
  729    HA   GLU  97           HA       GLU  97  -9.892  -1.918   7.398
  730   1HB   GLU  97          1HB       GLU  97 -10.699   1.042   7.192
  731   2HB   GLU  97          2HB       GLU  97  -9.126   0.389   6.755
  732   1HG   GLU  97          1HG       GLU  97 -10.117   0.395   4.701
  733   2HG   GLU  97          2HG       GLU  97 -10.398  -1.237   5.216
  734    H    PHE  98           H        PHE  98 -10.915   0.794   9.550
  735    HA   PHE  98           HA       PHE  98  -8.399   0.868  10.909
  736   1HB   PHE  98          1HB       PHE  98  -9.973   2.809  10.726
  737   2HB   PHE  98          2HB       PHE  98 -11.000   2.002  11.922
  738    HD1  PHE  98           HD1      PHE  98  -7.375   2.912  11.388
  739    HD2  PHE  98           HD2      PHE  98 -10.626   2.616  14.201
  740    HE1  PHE  98           HE1      PHE  98  -5.867   3.671  13.210
  741    HE2  PHE  98           HE2      PHE  98  -9.136   3.432  15.997
  742    HZ   PHE  98           HZ       PHE  98  -6.733   3.929  15.510
  743    H    GLU  99           H        GLU  99 -11.442  -0.941  11.580
  744    HA   GLU  99           HA       GLU  99 -10.649  -1.814  14.169
  745   1HB   GLU  99          1HB       GLU  99 -12.280  -3.205  11.996
  746   2HB   GLU  99          2HB       GLU  99 -12.065  -3.859  13.615
  747   1HG   GLU  99          1HG       GLU  99 -13.230  -1.958  14.606
  748   2HG   GLU  99          2HG       GLU  99 -13.417  -1.203  13.017
  749    H    ALA 100           H        ALA 100 -10.270  -3.366  10.967
  750    HA   ALA 100           HA       ALA 100  -8.900  -5.655  11.926
  751   1HB   ALA 100          1HB       ALA 100 -10.099  -5.580   9.805
  752   2HB   ALA 100          2HB       ALA 100  -8.936  -4.393   9.182
  753   3HB   ALA 100          3HB       ALA 100  -8.409  -6.071   9.563
  754    H    ILE 101           H        ILE 101  -7.667  -2.428  11.033
  755    HA   ILE 101           HA       ILE 101  -4.921  -3.491  11.546
  756    HB   ILE 101           HB       ILE 101  -3.938  -1.601  10.661
  757   1HG1  ILE 101          1HG1      ILE 101  -5.492   0.148   9.563
  758   2HG1  ILE 101          2HG1      ILE 101  -6.606  -0.324  10.881
  759   1HG2  ILE 101          2HG2      ILE 101  -4.873  -3.333   9.113
  760   2HG2  ILE 101          3HG2      ILE 101  -6.242  -2.228   8.825
  761   3HG2  ILE 101          1HG2      ILE 101  -4.596  -1.736   8.395
  762   1HD1  ILE 101          3HD1      ILE 101  -3.784   0.748  11.170
  763   2HD1  ILE 101          1HD1      ILE 101  -5.271   1.680  11.412
  764   3HD1  ILE 101          2HD1      ILE 101  -4.883   0.364  12.521
  765    H    ALA 102           H        ALA 102  -7.387  -1.782  13.404
  766    HA   ALA 102           HA       ALA 102  -5.756  -0.391  15.192
  767   1HB   ALA 102          1HB       ALA 102  -8.402  -1.820  15.703
  768   2HB   ALA 102          2HB       ALA 102  -7.610  -0.730  16.857
  769   3HB   ALA 102          3HB       ALA 102  -8.151  -0.101  15.302
  770    H    ARG 103           H        ARG 103  -6.548  -3.755  15.074
  771    HA   ARG 103           HA       ARG 103  -5.425  -4.707  17.466
  772   1HB   ARG 103          1HB       ARG 103  -5.219  -6.915  16.263
  773   2HB   ARG 103          2HB       ARG 103  -6.816  -6.192  16.381
  774   1HG   ARG 103          1HG       ARG 103  -7.069  -5.982  14.169
  775   2HG   ARG 103          2HG       ARG 103  -5.450  -5.345  13.924
  776   1HD   ARG 103          1HD       ARG 103  -6.045  -8.301  14.326
  777   2HD   ARG 103          2HD       ARG 103  -5.955  -7.527  12.742
  778    HE   ARG 103           HE       ARG 103  -3.775  -8.276  14.465
  779   1HH1  ARG 103          2HH2      ARG 103  -4.687  -5.878  11.976
  780   2HH1  ARG 103          1HH2      ARG 103  -3.045  -5.465  11.587
  781   1HH2  ARG 103          2HH1      ARG 103  -1.601  -7.792  13.846
  782   2HH2  ARG 103          1HH1      ARG 103  -1.298  -6.601  12.623
  783    H    PHE 104           H        PHE 104  -3.643  -3.156  15.055
  784    HA   PHE 104           HA       PHE 104  -1.089  -4.558  15.553
  785   1HB   PHE 104          1HB       PHE 104  -1.799  -1.899  14.214
  786   2HB   PHE 104          2HB       PHE 104  -0.150  -2.403  14.485
  787    HD1  PHE 104           HD1      PHE 104   0.492  -4.843  13.651
  788    HD2  PHE 104           HD2      PHE 104  -2.492  -2.276  11.975
  789    HE1  PHE 104           HE1      PHE 104   0.689  -6.044  11.480
  790    HE2  PHE 104           HE2      PHE 104  -2.367  -3.532   9.810
  791    HZ   PHE 104           HZ       PHE 104  -0.805  -5.440   9.591
  792    H    LYS 105           H        LYS 105   0.697  -2.502  16.476
  793    HA   LYS 105           HA       LYS 105  -0.723  -1.333  18.792
  794   1HB   LYS 105          1HB       LYS 105   0.292  -3.512  19.376
  795   2HB   LYS 105          2HB       LYS 105   1.897  -2.873  18.969
  796   1HG   LYS 105          1HG       LYS 105   1.911  -1.412  20.756
  797   2HG   LYS 105          2HG       LYS 105   0.144  -1.311  20.844
  798   1HD   LYS 105          1HD       LYS 105   0.092  -3.662  21.751
  799   2HD   LYS 105          2HD       LYS 105   1.861  -3.629  21.805
  800   1HE   LYS 105          1HE       LYS 105   0.958  -3.080  24.010
  801   2HE   LYS 105          2HE       LYS 105   1.792  -1.676  23.330
  802   1HZ   LYS 105          1HZ       LYS 105  -1.144  -2.074  23.327
  803   2HZ   LYS 105          2HZ       LYS 105  -0.316  -1.065  24.330
  804   3HZ   LYS 105          3HZ       LYS 105  -0.356  -0.768  22.716
  805    H    TRP 106           H        TRP 106   0.901  -0.478  16.084
  806    HA   TRP 106           HA       TRP 106   1.757   2.051  17.388
  807   1HB   TRP 106          1HB       TRP 106   3.609   2.094  15.673
  808   2HB   TRP 106          2HB       TRP 106   3.782   0.942  16.977
  809    HD1  TRP 106           HD1      TRP 106   4.309  -1.457  16.344
  810    HE1  TRP 106           HE1      TRP 106   4.504  -2.803  14.158
  811    HE3  TRP 106           HE3      TRP 106   2.342   1.964  13.081
  812    HZ2  TRP 106           HZ2      TRP 106   3.795  -2.472  11.370
  813    HZ3  TRP 106           HZ3      TRP 106   2.052   1.428  10.727
  814    HH2  TRP 106           HH2      TRP 106   2.851  -0.790   9.829
  815    H    ALA 107           H        ALA 107  -0.701   0.917  15.676
  816    HA   ALA 107           HA       ALA 107  -0.509   2.599  13.269
  817   1HB   ALA 107          1HB       ALA 107  -2.783   0.910  14.427
  818   2HB   ALA 107          2HB       ALA 107  -2.815   1.803  12.900
  819   3HB   ALA 107          3HB       ALA 107  -1.691   0.438  13.094
  820    H    ARG 108           H        ARG 108  -1.510   4.543  13.056
  821    HA   ARG 108           HA       ARG 108  -3.048   5.644  15.354
  822   1HB   ARG 108          1HB       ARG 108  -0.635   6.435  14.903
  823   2HB   ARG 108          2HB       ARG 108  -1.249   7.183  13.441
  824   1HG   ARG 108          1HG       ARG 108  -2.869   7.951  15.789
  825   2HG   ARG 108          2HG       ARG 108  -1.154   8.201  16.097
  826   1HD   ARG 108          1HD       ARG 108  -1.993  10.241  15.186
  827   2HD   ARG 108          2HD       ARG 108  -0.978   9.485  13.946
  828    HE   ARG 108           HE       ARG 108  -3.816   8.787  13.804
  829   1HH1  ARG 108          2HH2      ARG 108  -1.243  10.958  12.483
  830   2HH1  ARG 108          1HH2      ARG 108  -2.310  11.572  11.266
  831   1HH2  ARG 108          2HH1      ARG 108  -5.131   9.661  12.116
  832   2HH2  ARG 108          1HH1      ARG 108  -4.405  10.750  10.966
  833    H    ALA 109           H        ALA 109  -3.167   4.747  12.035
  834    HA   ALA 109           HA       ALA 109  -5.875   5.565  11.667
  835   1HB   ALA 109          1HB       ALA 109  -3.700   7.316  10.561
  836   2HB   ALA 109          2HB       ALA 109  -4.912   6.778   9.387
  837   3HB   ALA 109          3HB       ALA 109  -5.399   7.661  10.837
  838    H    ALA 110           H        ALA 110  -6.605   4.782   9.518
  839    HA   ALA 110           HA       ALA 110  -5.050   2.493   8.454
  840   1HB   ALA 110          1HB       ALA 110  -8.060   3.052   8.534
  841   2HB   ALA 110          2HB       ALA 110  -7.304   1.743   7.623
  842   3HB   ALA 110          3HB       ALA 110  -7.189   1.761   9.386
  843    H    LEU 111           H        LEU 111  -3.989   3.250   6.662
  844    HA   LEU 111           HA       LEU 111  -5.177   5.378   4.947
  845   1HB   LEU 111          1HB       LEU 111  -2.807   5.498   5.626
  846   2HB   LEU 111          2HB       LEU 111  -2.487   3.949   4.879
  847    HG   LEU 111           HG       LEU 111  -3.385   6.490   3.447
  848   1HD1  LEU 111          3HD1      LEU 111  -1.076   6.576   4.397
  849   2HD1  LEU 111          1HD1      LEU 111  -0.663   5.095   3.516
  850   3HD1  LEU 111          2HD1      LEU 111  -1.063   6.583   2.630
  851   1HD2  LEU 111          2HD2      LEU 111  -2.569   3.797   2.308
  852   2HD2  LEU 111          3HD2      LEU 111  -4.104   4.670   2.055
  853   3HD2  LEU 111          1HD2      LEU 111  -2.619   5.301   1.360
  854    H    VAL 112           H        VAL 112  -6.890   4.428   4.033
  855    HA   VAL 112           HA       VAL 112  -6.920   1.667   3.097
  856    HB   VAL 112           HB       VAL 112  -8.965   3.907   2.689
  857   1HG1  VAL 112          2HG1      VAL 112  -9.141   0.877   2.615
  858   2HG1  VAL 112          3HG1      VAL 112 -10.534   1.983   2.535
  859   3HG1  VAL 112          1HG1      VAL 112  -9.322   1.994   1.245
  860   1HG2  VAL 112          2HG2      VAL 112  -8.611   2.037   5.059
  861   2HG2  VAL 112          3HG2      VAL 112  -8.710   3.802   5.071
  862   3HG2  VAL 112          1HG2      VAL 112 -10.147   2.861   4.687
  863    H    ILE 113           H        ILE 113  -6.527   1.087   0.914
  864    HA   ILE 113           HA       ILE 113  -6.348   3.334  -1.030
  865    HB   ILE 113           HB       ILE 113  -4.560   0.863  -0.987
  866   1HG1  ILE 113          1HG1      ILE 113  -3.900   3.810  -0.526
  867   2HG1  ILE 113          2HG1      ILE 113  -3.920   2.548   0.708
  868   1HG2  ILE 113          2HG2      ILE 113  -5.186   1.576  -3.294
  869   2HG2  ILE 113          3HG2      ILE 113  -4.658   3.226  -2.927
  870   3HG2  ILE 113          1HG2      ILE 113  -3.489   1.887  -2.985
  871   1HD1  ILE 113          1HD1      ILE 113  -2.074   1.370  -0.431
  872   2HD1  ILE 113          2HD1      ILE 113  -1.953   2.715  -1.598
  873   3HD1  ILE 113          3HD1      ILE 113  -1.644   3.000   0.115
  874    H    THR 114           H        THR 114  -7.712   3.046  -2.712
  875    HA   THR 114           HA       THR 114  -9.007   0.384  -3.103
  876    HB   THR 114           HB       THR 114 -10.106   3.110  -3.878
  877    HG1  THR 114           HG1      THR 114 -10.008   2.944  -1.685
  878   1HG2  THR 114          3HG2      THR 114 -11.401   0.341  -3.673
  879   2HG2  THR 114          1HG2      THR 114 -12.226   1.857  -4.106
  880   3HG2  THR 114          2HG2      THR 114 -10.993   1.187  -5.183
  881    H    VAL 115           H        VAL 115  -7.430  -0.469  -4.363
  882    HA   VAL 115           HA       VAL 115  -6.028   0.831  -6.503
  883    HB   VAL 115           HB       VAL 115  -6.466  -2.008  -5.544
  884   1HG1  VAL 115          2HG1      VAL 115  -4.940  -1.229  -8.052
  885   2HG1  VAL 115          3HG1      VAL 115  -4.781  -2.777  -7.195
  886   3HG1  VAL 115          1HG1      VAL 115  -6.321  -2.334  -7.929
  887   1HG2  VAL 115          1HG2      VAL 115  -4.045  -0.158  -5.758
  888   2HG2  VAL 115          2HG2      VAL 115  -4.916  -0.605  -4.275
  889   3HG2  VAL 115          3HG2      VAL 115  -4.002  -1.826  -5.167
  890    H    VAL 116           H        VAL 116  -6.191   0.367  -8.758
  891    HA   VAL 116           HA       VAL 116  -8.916  -0.303  -9.717
  892    HB   VAL 116           HB       VAL 116  -7.013   1.829 -10.769
  893   1HG1  VAL 116          3HG1      VAL 116  -9.755   0.943 -11.783
  894   2HG1  VAL 116          1HG1      VAL 116  -8.843   2.349 -12.366
  895   3HG1  VAL 116          2HG1      VAL 116  -8.204   0.726 -12.628
  896   1HG2  VAL 116          2HG2      VAL 116  -9.762   2.065  -9.452
  897   2HG2  VAL 116          3HG2      VAL 116  -8.225   2.593  -8.747
  898   3HG2  VAL 116          1HG2      VAL 116  -8.850   3.403 -10.181
  899    H    SER 117           H        SER 117  -5.361  -0.038 -10.626
  900    HA   SER 117           HA       SER 117  -5.538  -2.737 -11.638
  901   1HB   SER 117          1HB       SER 117  -4.861  -0.445 -13.541
  902   2HB   SER 117          2HB       SER 117  -4.786  -2.172 -13.932
  903    HG   SER 117           HG       SER 117  -7.178  -1.748 -12.925
  904    H    ALA 118           H        ALA 118  -3.656  -3.816 -11.826
  905    HA   ALA 118           HA       ALA 118  -1.084  -2.548 -11.113
  906   1HB   ALA 118          1HB       ALA 118  -2.134  -5.390 -10.636
  907   2HB   ALA 118          2HB       ALA 118  -0.522  -4.813 -10.205
  908   3HB   ALA 118          3HB       ALA 118  -1.942  -4.160  -9.374
  909    H    GLU 119           H        GLU 119   0.731  -3.295 -12.205
  910    HA   GLU 119           HA       GLU 119   0.523  -5.415 -14.255
  911   1HB   GLU 119          1HB       GLU 119   1.826  -4.168 -15.796
  912   2HB   GLU 119          2HB       GLU 119   0.259  -3.427 -15.513
  913   1HG   GLU 119          1HG       GLU 119   2.434  -2.411 -13.752
  914   2HG   GLU 119          2HG       GLU 119   2.703  -2.202 -15.476
  915    H    GLN 120           H        GLN 120   2.544  -6.677 -14.430
  916    HA   GLN 120           HA       GLN 120   4.092  -6.506 -11.930
  917   1HB   GLN 120          1HB       GLN 120   3.365  -8.733 -12.985
  918   2HB   GLN 120          2HB       GLN 120   4.610  -8.440 -14.215
  919   1HG   GLN 120          1HG       GLN 120   6.295  -8.185 -12.343
  920   2HG   GLN 120          2HG       GLN 120   5.019  -8.574 -11.191
  921   1HE2  GLN 120          2HE2      GLN 120   5.183 -12.066 -11.775
  922   2HE2  GLN 120          1HE2      GLN 120   4.179 -10.764 -11.134
  923    H    THR 121           H        THR 121   6.288  -5.823 -11.824
  924    HA   THR 121           HA       THR 121   7.475  -4.740 -14.313
  925    HB   THR 121           HB       THR 121   7.945  -2.624 -13.049
  926    HG1  THR 121           HG1      THR 121   6.444  -2.209 -11.314
  927   1HG2  THR 121          3HG2      THR 121   6.086  -2.805 -14.731
  928   2HG2  THR 121          1HG2      THR 121   4.960  -3.112 -13.398
  929   3HG2  THR 121          2HG2      THR 121   5.831  -1.568 -13.494
  930    H    LEU 122           H        LEU 122   8.303  -4.445 -10.877
  931    HA   LEU 122           HA       LEU 122  11.093  -4.897 -11.475
  932   1HB   LEU 122          1HB       LEU 122  11.502  -4.415  -9.175
  933   2HB   LEU 122          2HB       LEU 122  10.342  -3.280  -9.811
  934    HG   LEU 122           HG       LEU 122   8.673  -5.239  -8.773
  935   1HD1  LEU 122          3HD1      LEU 122  10.585  -6.429  -7.726
  936   2HD1  LEU 122          1HD1      LEU 122  11.014  -4.939  -6.840
  937   3HD1  LEU 122          2HD1      LEU 122   9.483  -5.770  -6.508
  938   1HD2  LEU 122          1HD2      LEU 122   8.384  -2.837  -8.495
  939   2HD2  LEU 122          2HD2      LEU 122   8.224  -3.673  -6.946
  940   3HD2  LEU 122          3HD2      LEU 122   9.723  -2.788  -7.326
  941    HN3  FMN 123           HN3      FMN 123   2.497   2.322   8.384
  942    H6   FMN 123           H6       FMN 123   8.294  -0.523   5.957
  943   1HM7  FMN 123          1HM7      FMN 123  10.160  -0.933   4.536
  944   2HM7  FMN 123          2HM7      FMN 123  11.219   0.386   4.048
  945   3HM7  FMN 123          3HM7      FMN 123  11.580  -0.514   5.533
  946   1HM8  FMN 123          1HM8      FMN 123  11.737   2.731   4.398
  947   2HM8  FMN 123          2HM8      FMN 123  11.988   3.626   5.902
  948   3HM8  FMN 123          3HM8      FMN 123  12.526   1.944   5.789
  949    H9   FMN 123           H9       FMN 123   9.927   4.074   6.877
  950   1H1*  FMN 123          1H1*      FMN 123   7.635   4.928   9.481
  951   2H1*  FMN 123          2H1*      FMN 123   9.071   4.851   8.534
  952    H2*  FMN 123           H2*      FMN 123   7.999   7.003   8.329
  953   *HO2  FMN 123          *HO2      FMN 123   5.955   7.105   8.314
  954    H3*  FMN 123           H3*      FMN 123   7.982   5.362   5.798
  955   *HO3  FMN 123          *HO3      FMN 123   9.612   7.094   5.468
  956    H4*  FMN 123           H4*      FMN 123   6.374   6.966   5.241
  957   *HO4  FMN 123          *HO4      FMN 123   7.647   8.418   3.915
  958   1H5*  FMN 123          1H5*      FMN 123   6.632   8.748   7.036
  959   2H5*  FMN 123          2H5*      FMN 123   8.028   9.370   6.124
   
  No H/Q in entry =         959
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1 -10.472  -5.198 -10.990
    2   2H    MET   1          2H        MET   1 -11.563  -5.331  -9.737
    3   3H    MET   1          3H        MET   1 -10.029  -4.777  -9.470
    4    HA   MET   1           HA       MET   1 -10.019  -6.930  -8.691
    5   1HB   MET   1          1HB       MET   1 -11.229  -7.692 -11.390
    6   2HB   MET   1          2HB       MET   1 -10.567  -8.841 -10.221
    7   1HG   MET   1          1HG       MET   1 -12.920  -8.823  -9.873
    8   2HG   MET   1          2HG       MET   1 -12.173  -8.008  -8.507
    9   1HE   MET   1          3HE       MET   1 -13.489  -7.036 -12.182
   10   2HE   MET   1          1HE       MET   1 -14.784  -7.885 -11.305
   11   3HE   MET   1          2HE       MET   1 -14.960  -6.164 -11.697
   12    H    LEU   2           H        LEU   2  -8.167  -8.520  -9.239
   13    HA   LEU   2           HA       LEU   2  -6.224  -7.256 -11.090
   14   1HB   LEU   2          1HB       LEU   2  -5.902  -7.962  -8.134
   15   2HB   LEU   2          2HB       LEU   2  -4.554  -7.589  -9.173
   16    HG   LEU   2           HG       LEU   2  -6.770  -5.707  -8.358
   17   1HD1  LEU   2          1HD1      LEU   2  -5.051  -6.256  -6.673
   18   2HD1  LEU   2          2HD1      LEU   2  -3.779  -5.734  -7.784
   19   3HD1  LEU   2          3HD1      LEU   2  -4.965  -4.571  -7.154
   20   1HD2  LEU   2          1HD2      LEU   2  -4.618  -5.299 -10.422
   21   2HD2  LEU   2          2HD2      LEU   2  -6.333  -4.900 -10.508
   22   3HD2  LEU   2          3HD2      LEU   2  -5.275  -3.935  -9.484
   23    HA   PRO   3           HA       PRO   3  -4.970 -11.448 -12.017
   24   1HB   PRO   3          1HB       PRO   3  -2.189 -11.391 -11.375
   25   2HB   PRO   3          2HB       PRO   3  -2.917 -10.982 -12.932
   26   1HG   PRO   3          1HG       PRO   3  -2.115  -9.142 -10.685
   27   2HG   PRO   3          2HG       PRO   3  -1.914  -8.897 -12.452
   28   1HD   PRO   3          1HD       PRO   3  -3.892  -7.655 -11.161
   29   2HD   PRO   3          2HD       PRO   3  -4.233  -8.421 -12.728
   30    H    GLY   4           H        GLY   4  -4.600 -13.457 -10.966
   31   1HA   GLY   4          1HA       GLY   4  -4.907 -13.679  -8.168
   32   2HA   GLY   4          2HA       GLY   4  -4.270 -14.946  -9.230
   33    H    THR   5           H        THR   5  -1.925 -13.656 -10.222
   34    HA   THR   5           HA       THR   5   0.007 -14.214  -8.443
   35    HB   THR   5           HB       THR   5   0.256 -11.993 -10.499
   36    HG1  THR   5           HG1      THR   5   0.551 -13.815 -11.976
   37   1HG2  THR   5          1HG2      THR   5   2.310 -12.649  -9.232
   38   2HG2  THR   5          2HG2      THR   5   2.085 -14.330  -9.754
   39   3HG2  THR   5          3HG2      THR   5   2.443 -13.061 -10.949
   40    H    PHE   6           H        PHE   6  -1.654 -11.014  -8.735
   41    HA   PHE   6           HA       PHE   6   0.053  -9.534  -6.957
   42   1HB   PHE   6          1HB       PHE   6  -1.569  -8.330  -8.230
   43   2HB   PHE   6          2HB       PHE   6  -2.883  -9.365  -7.708
   44    HD1  PHE   6           HD2      PHE   6  -0.750  -6.516  -6.694
   45    HD2  PHE   6           HD1      PHE   6  -4.053  -9.085  -5.631
   46    HE1  PHE   6           HE2      PHE   6  -1.397  -4.956  -4.870
   47    HE2  PHE   6           HE1      PHE   6  -4.678  -7.542  -3.814
   48    HZ   PHE   6           HZ       PHE   6  -3.323  -5.509  -3.389
   49    H    PHE   7           H        PHE   7  -2.856 -11.486  -6.204
   50    HA   PHE   7           HA       PHE   7  -2.691 -11.152  -3.392
   51   1HB   PHE   7          1HB       PHE   7  -3.956 -13.421  -4.965
   52   2HB   PHE   7          2HB       PHE   7  -4.207 -13.069  -3.265
   53    HD1  PHE   7           HD2      PHE   7  -5.473 -11.029  -2.539
   54    HD2  PHE   7           HD1      PHE   7  -5.008 -12.034  -6.707
   55    HE1  PHE   7           HE2      PHE   7  -7.292  -9.446  -3.133
   56    HE2  PHE   7           HE1      PHE   7  -6.804 -10.451  -7.298
   57    HZ   PHE   7           HZ       PHE   7  -7.961  -9.148  -5.500
   58    H    GLU   8           H        GLU   8  -1.378 -13.741  -5.533
   59    HA   GLU   8           HA       GLU   8  -0.173 -15.263  -3.476
   60   1HB   GLU   8          1HB       GLU   8   0.973 -14.870  -6.267
   61   2HB   GLU   8          2HB       GLU   8   1.306 -16.185  -5.151
   62   1HG   GLU   8          1HG       GLU   8  -1.201 -15.666  -6.748
   63   2HG   GLU   8          2HG       GLU   8  -0.183 -17.095  -6.729
   64    H    VAL   9           H        VAL   9   1.062 -12.245  -4.999
   65    HA   VAL   9           HA       VAL   9   3.609 -12.438  -3.624
   66    HB   VAL   9           HB       VAL   9   2.194 -10.097  -4.970
   67   1HG1  VAL   9          1HG1      VAL   9   3.734  -9.212  -3.213
   68   2HG1  VAL   9          2HG1      VAL   9   5.050 -10.173  -3.911
   69   3HG1  VAL   9          3HG1      VAL   9   4.303  -8.862  -4.847
   70   1HG2  VAL   9          2HG2      VAL   9   3.030 -11.900  -6.487
   71   2HG2  VAL   9          3HG2      VAL   9   3.957 -10.408  -6.674
   72   3HG2  VAL   9          1HG2      VAL   9   4.635 -11.769  -5.755
   73    H    LEU  10           H        LEU  10   0.501 -10.718  -2.872
   74    HA   LEU  10           HA       LEU  10   1.355  -9.609  -0.397
   75   1HB   LEU  10          1HB       LEU  10  -1.389 -10.675  -1.175
   76   2HB   LEU  10          2HB       LEU  10  -1.063 -10.067   0.426
   77    HG   LEU  10           HG       LEU  10  -2.159  -8.428  -0.727
   78   1HD1  LEU  10          1HD1      LEU  10  -0.335  -7.637   0.766
   79   2HD1  LEU  10          2HD1      LEU  10   0.721  -7.470  -0.657
   80   3HD1  LEU  10          3HD1      LEU  10  -0.744  -6.488  -0.519
   81   1HD2  LEU  10          1HD2      LEU  10  -0.091  -8.614  -2.906
   82   2HD2  LEU  10          2HD2      LEU  10  -1.827  -8.954  -3.019
   83   3HD2  LEU  10          3HD2      LEU  10  -1.256  -7.297  -2.761
   84    H    LYS  11           H        LYS  11   0.199 -12.911  -0.999
   85    HA   LYS  11           HA       LYS  11   0.079 -13.830   1.678
   86   1HB   LYS  11          1HB       LYS  11   0.825 -15.340  -0.849
   87   2HB   LYS  11          2HB       LYS  11   0.555 -16.113   0.714
   88   1HG   LYS  11          1HG       LYS  11  -1.766 -15.304   0.787
   89   2HG   LYS  11          2HG       LYS  11  -1.530 -14.435  -0.728
   90   1HD   LYS  11          1HD       LYS  11  -0.826 -16.770  -1.692
   91   2HD   LYS  11          2HD       LYS  11  -1.661 -17.425  -0.271
   92   1HE   LYS  11          1HE       LYS  11  -3.746 -16.230  -0.969
   93   2HE   LYS  11          2HE       LYS  11  -2.840 -15.475  -2.297
   94   1HZ   LYS  11          2HZ       LYS  11  -2.353 -17.790  -3.043
   95   2HZ   LYS  11          3HZ       LYS  11  -3.665 -18.294  -2.146
   96   3HZ   LYS  11          1HZ       LYS  11  -3.721 -17.180  -3.412
   97    H    ASN  12           H        ASN  12   2.927 -12.708   0.115
   98    HA   ASN  12           HA       ASN  12   4.626 -14.262   2.014
   99   1HB   ASN  12          1HB       ASN  12   5.221 -13.397  -0.846
  100   2HB   ASN  12          2HB       ASN  12   6.397 -14.080   0.282
  101   1HD2  ASN  12          2HD2      ASN  12   3.737 -16.556  -1.667
  102   2HD2  ASN  12          1HD2      ASN  12   3.459 -14.859  -1.696
  103    H    GLU  13           H        GLU  13   6.542 -12.985   2.735
  104    HA   GLU  13           HA       GLU  13   5.822 -10.187   3.082
  105   1HB   GLU  13          1HB       GLU  13   6.781 -11.599   4.877
  106   2HB   GLU  13          2HB       GLU  13   8.304 -11.713   3.977
  107   1HG   GLU  13          1HG       GLU  13   8.664  -9.309   4.177
  108   2HG   GLU  13          2HG       GLU  13   7.043  -9.064   4.826
  109    H    GLY  14           H        GLY  14   6.978  -8.352   2.381
  110   1HA   GLY  14          1HA       GLY  14   9.439  -8.338   1.034
  111   2HA   GLY  14          2HA       GLY  14   8.101  -8.175  -0.126
  112    H    VAL  15           H        VAL  15   9.713  -6.113   0.005
  113    HA   VAL  15           HA       VAL  15   8.770  -4.030   1.809
  114    HB   VAL  15           HB       VAL  15  10.557  -3.942  -0.676
  115   1HG1  VAL  15          2HG1      VAL  15  10.080  -1.860   1.513
  116   2HG1  VAL  15          3HG1      VAL  15  11.370  -1.767   0.296
  117   3HG1  VAL  15          1HG1      VAL  15   9.690  -1.701  -0.214
  118   1HG2  VAL  15          3HG2      VAL  15  11.600  -5.311   1.114
  119   2HG2  VAL  15          1HG2      VAL  15  12.452  -3.782   0.899
  120   3HG2  VAL  15          2HG2      VAL  15  11.339  -3.978   2.265
  121    H    VAL  16           H        VAL  16   7.565  -2.259   1.072
  122    HA   VAL  16           HA       VAL  16   6.132  -2.401  -1.477
  123    HB   VAL  16           HB       VAL  16   4.963  -1.956   1.293
  124   1HG1  VAL  16          3HG1      VAL  16   3.685  -0.697  -0.478
  125   2HG1  VAL  16          1HG1      VAL  16   3.370  -2.249  -1.282
  126   3HG1  VAL  16          2HG1      VAL  16   2.739  -1.921   0.335
  127   1HG2  VAL  16          3HG2      VAL  16   4.635  -4.361  -0.510
  128   2HG2  VAL  16          1HG2      VAL  16   5.404  -4.316   1.083
  129   3HG2  VAL  16          2HG2      VAL  16   3.672  -4.057   0.948
  130    H    ALA  17           H        ALA  17   5.319  -0.176  -1.983
  131    HA   ALA  17           HA       ALA  17   6.265   2.011  -0.328
  132   1HB   ALA  17          3HB       ALA  17   8.020   1.292  -2.218
  133   2HB   ALA  17          1HB       ALA  17   6.881   2.166  -3.275
  134   3HB   ALA  17          2HB       ALA  17   7.666   2.982  -1.912
  135    H    ILE  18           H        ILE  18   5.213   4.109  -1.034
  136    HA   ILE  18           HA       ILE  18   2.840   3.776  -2.759
  137    HB   ILE  18           HB       ILE  18   2.571   4.965   0.002
  138   1HG1  ILE  18          1HG1      ILE  18   1.470   2.217  -0.635
  139   2HG1  ILE  18          2HG1      ILE  18   3.028   2.434   0.168
  140   1HG2  ILE  18          2HG2      ILE  18   0.989   5.731  -1.733
  141   2HG2  ILE  18          3HG2      ILE  18   0.489   4.053  -2.026
  142   3HG2  ILE  18          1HG2      ILE  18   0.160   4.846  -0.466
  143   1HD1  ILE  18          2HD1      ILE  18   1.975   3.749   1.961
  144   2HD1  ILE  18          3HD1      ILE  18   0.384   3.370   1.260
  145   3HD1  ILE  18          1HD1      ILE  18   1.441   2.066   1.839
  146    H    ALA  19           H        ALA  19   2.934   5.526  -4.106
  147    HA   ALA  19           HA       ALA  19   4.452   7.974  -3.325
  148   1HB   ALA  19          3HB       ALA  19   4.860   6.741  -5.577
  149   2HB   ALA  19          1HB       ALA  19   3.277   7.400  -6.016
  150   3HB   ALA  19          2HB       ALA  19   4.576   8.506  -5.585
  151    H    THR  20           H        THR  20   3.159   9.160  -2.068
  152    HA   THR  20           HA       THR  20   0.304   9.301  -2.673
  153    HB   THR  20           HB       THR  20   1.834  10.944  -0.600
  154    HG1  THR  20           HG1      THR  20   2.278   9.283   0.469
  155   1HG2  THR  20          3HG2      THR  20  -0.715  11.174  -1.111
  156   2HG2  THR  20          1HG2      THR  20  -0.868   9.517  -0.524
  157   3HG2  THR  20          2HG2      THR  20  -0.289  10.792   0.561
  158    H    GLN  21           H        GLN  21  -0.274  10.923  -4.384
  159    HA   GLN  21           HA       GLN  21   1.648  13.172  -4.670
  160   1HB   GLN  21          1HB       GLN  21   0.843  12.301  -6.837
  161   2HB   GLN  21          2HB       GLN  21  -0.809  12.559  -6.343
  162   1HG   GLN  21          1HG       GLN  21  -0.055  14.313  -7.848
  163   2HG   GLN  21          2HG       GLN  21  -0.554  14.958  -6.301
  164   1HE2  GLN  21          2HE2      GLN  21   2.870  16.288  -7.612
  165   2HE2  GLN  21          1HE2      GLN  21   1.600  15.615  -8.612
  166    H    GLY  22           H        GLY  22   1.044  15.263  -4.086
  167   1HA   GLY  22          1HA       GLY  22  -1.606  15.570  -2.731
  168   2HA   GLY  22          2HA       GLY  22  -0.144  16.073  -1.867
  169    H    GLU  23           H        GLU  23   1.202  17.760  -2.820
  170    HA   GLU  23           HA       GLU  23   0.029  19.488  -4.898
  171   1HB   GLU  23          1HB       GLU  23  -1.348  20.001  -2.953
  172   2HB   GLU  23          2HB       GLU  23   0.056  19.984  -1.916
  173   1HG   GLU  23          1HG       GLU  23   0.673  22.091  -3.623
  174   2HG   GLU  23          2HG       GLU  23  -1.090  22.197  -3.509
  175    H    ASP  24           H        ASP  24   2.180  19.721  -1.977
  176    HA   ASP  24           HA       ASP  24   4.340  20.905  -3.453
  177   1HB   ASP  24          1HB       ASP  24   5.434  21.087  -1.345
  178   2HB   ASP  24          2HB       ASP  24   3.747  21.540  -1.127
  179    H    GLY  25           H        GLY  25   3.760  18.635  -4.705
  180   1HA   GLY  25          1HA       GLY  25   4.936  17.010  -5.801
  181   2HA   GLY  25          2HA       GLY  25   6.304  17.230  -4.712
  182    HA   PRO  26           HA       PRO  26   3.557  13.531  -3.721
  183   1HB   PRO  26          1HB       PRO  26   4.670  11.378  -5.079
  184   2HB   PRO  26          2HB       PRO  26   3.410  12.435  -5.747
  185   1HG   PRO  26          1HG       PRO  26   6.415  12.602  -6.151
  186   2HG   PRO  26          2HG       PRO  26   5.129  12.713  -7.398
  187   1HD   PRO  26          1HD       PRO  26   6.333  14.925  -6.303
  188   2HD   PRO  26          2HD       PRO  26   4.610  14.925  -6.789
  189    H    HIS  27           H        HIS  27   4.143  11.715  -2.321
  190    HA   HIS  27           HA       HIS  27   6.989  11.756  -1.420
  191   1HB   HIS  27          1HB       HIS  27   5.426  12.888   0.292
  192   2HB   HIS  27          2HB       HIS  27   4.717  11.327   0.519
  193    HD1  HIS  27           HD1      HIS  27   8.545  11.990   0.058
  194    HD2  HIS  27           HD2      HIS  27   5.738  10.494   2.814
  195    HE1  HIS  27           HE1      HIS  27   9.864  10.678   1.790
  196    H    LEU  28           H        LEU  28   7.828   9.792  -2.144
  197    HA   LEU  28           HA       LEU  28   5.936   7.517  -2.305
  198   1HB   LEU  28          1HB       LEU  28   7.212   8.298  -4.278
  199   2HB   LEU  28          2HB       LEU  28   8.698   7.797  -3.476
  200    HG   LEU  28           HG       LEU  28   6.408   5.883  -4.024
  201   1HD1  LEU  28          3HD1      LEU  28   7.103   6.966  -6.152
  202   2HD1  LEU  28          1HD1      LEU  28   8.773   6.455  -5.856
  203   3HD1  LEU  28          2HD1      LEU  28   7.497   5.245  -6.122
  204   1HD2  LEU  28          1HD2      LEU  28   8.139   4.975  -2.530
  205   2HD2  LEU  28          2HD2      LEU  28   8.006   4.107  -4.077
  206   3HD2  LEU  28          3HD2      LEU  28   9.357   5.227  -3.805
  207    H    VAL  29           H        VAL  29   5.615   7.045  -0.208
  208    HA   VAL  29           HA       VAL  29   7.746   6.729   1.748
  209    HB   VAL  29           HB       VAL  29   5.943   5.961   3.237
  210   1HG1  VAL  29          1HG1      VAL  29   5.096   8.406   1.657
  211   2HG1  VAL  29          2HG1      VAL  29   4.474   7.940   3.259
  212   3HG1  VAL  29          3HG1      VAL  29   6.170   8.330   3.070
  213   1HG2  VAL  29          2HG2      VAL  29   4.513   4.742   1.508
  214   2HG2  VAL  29          3HG2      VAL  29   3.633   5.774   2.648
  215   3HG2  VAL  29          1HG2      VAL  29   3.927   6.358   1.021
  216    H    ASN  30           H        ASN  30   7.678   4.548   3.102
  217    HA   ASN  30           HA       ASN  30   7.473   2.203   1.282
  218   1HB   ASN  30          1HB       ASN  30   9.640   2.868   3.270
  219   2HB   ASN  30          2HB       ASN  30   9.275   1.195   2.874
  220   1HD2  ASN  30          2HD2      ASN  30  10.309   1.650  -0.614
  221   2HD2  ASN  30          1HD2      ASN  30   8.893   0.984   0.206
  222    H    THR  31           H        THR  31   7.164   0.123   2.426
  223    HA   THR  31           HA       THR  31   6.408  -0.079   5.110
  224    HB   THR  31           HB       THR  31   4.397   1.123   4.449
  225    HG1  THR  31           HG1      THR  31   3.821  -0.094   6.005
  226   1HG2  THR  31          2HG2      THR  31   4.237   0.294   2.052
  227   2HG2  THR  31          3HG2      THR  31   3.564  -1.217   2.739
  228   3HG2  THR  31          1HG2      THR  31   2.737   0.321   2.987
  229    H    TRP  32           H        TRP  32   5.234  -2.397   5.254
  230    HA   TRP  32           HA       TRP  32   6.641  -4.308   3.436
  231   1HB   TRP  32          1HB       TRP  32   6.226  -4.514   6.445
  232   2HB   TRP  32          2HB       TRP  32   6.745  -5.845   5.424
  233    HD1  TRP  32           HD1      TRP  32   8.009  -2.604   6.922
  234    HE1  TRP  32           HE1      TRP  32  10.542  -2.439   6.670
  235    HE3  TRP  32           HE3      TRP  32   8.759  -6.722   4.031
  236    HZ2  TRP  32           HZ2      TRP  32  12.676  -3.982   5.396
  237    HZ3  TRP  32           HZ3      TRP  32  11.023  -7.313   3.212
  238    HH2  TRP  32           HH2      TRP  32  13.005  -5.969   3.931
  239    H    ASN  33           H        ASN  33   5.372  -6.067   2.666
  240    HA   ASN  33           HA       ASN  33   2.553  -6.019   2.686
  241   1HB   ASN  33          1HB       ASN  33   4.335  -8.488   2.581
  242   2HB   ASN  33          2HB       ASN  33   2.599  -8.508   2.318
  243   1HD2  ASN  33          2HD2      ASN  33   4.575  -8.388  -0.913
  244   2HD2  ASN  33          1HD2      ASN  33   4.331  -9.541   0.387
  245    H    SER  34           H        SER  34   4.767  -7.236   5.065
  246    HA   SER  34           HA       SER  34   3.270  -8.944   6.680
  247   1HB   SER  34          1HB       SER  34   5.786  -8.371   6.425
  248   2HB   SER  34          2HB       SER  34   5.491  -7.044   7.541
  249    HG   SER  34           HG       SER  34   6.232  -9.338   8.138
  250    H    TYR  35           H        TYR  35   2.899  -5.529   6.281
  251    HA   TYR  35           HA       TYR  35   1.574  -5.172   8.923
  252   1HB   TYR  35          1HB       TYR  35   2.745  -3.139   7.006
  253   2HB   TYR  35          2HB       TYR  35   2.049  -2.805   8.575
  254    HD1  TYR  35           HD1      TYR  35   3.721  -5.480   9.738
  255    HD2  TYR  35           HD2      TYR  35   4.591  -1.718   7.797
  256    HE1  TYR  35           HE1      TYR  35   5.949  -5.456  10.776
  257    HE2  TYR  35           HE2      TYR  35   6.795  -1.654   8.895
  258    HH   TYR  35           HH       TYR  35   8.274  -2.774  10.334
  259    H    LEU  36           H        LEU  36   0.736  -5.809   5.696
  260    HA   LEU  36           HA       LEU  36  -1.354  -3.685   5.582
  261   1HB   LEU  36          1HB       LEU  36  -0.531  -5.695   3.445
  262   2HB   LEU  36          2HB       LEU  36  -1.518  -4.254   3.228
  263    HG   LEU  36           HG       LEU  36   1.461  -4.386   3.766
  264   1HD1  LEU  36          1HD1      LEU  36   0.713  -4.839   1.453
  265   2HD1  LEU  36          2HD1      LEU  36  -0.182  -3.299   1.439
  266   3HD1  LEU  36          3HD1      LEU  36   1.587  -3.312   1.573
  267   1HD2  LEU  36          1HD2      LEU  36  -0.373  -1.983   3.678
  268   2HD2  LEU  36          2HD2      LEU  36   0.665  -2.478   5.033
  269   3HD2  LEU  36          3HD2      LEU  36   1.407  -1.887   3.553
  270    H    LYS  37           H        LYS  37  -3.429  -4.308   4.536
  271    HA   LYS  37           HA       LYS  37  -4.143  -7.149   4.877
  272   1HB   LYS  37          1HB       LYS  37  -6.016  -6.971   6.146
  273   2HB   LYS  37          2HB       LYS  37  -4.867  -5.939   6.970
  274   1HG   LYS  37          1HG       LYS  37  -6.428  -4.354   7.042
  275   2HG   LYS  37          2HG       LYS  37  -6.259  -4.169   5.304
  276   1HD   LYS  37          1HD       LYS  37  -8.016  -5.858   4.904
  277   2HD   LYS  37          2HD       LYS  37  -8.204  -6.078   6.651
  278   1HE   LYS  37          1HE       LYS  37  -8.396  -3.344   6.450
  279   2HE   LYS  37          2HE       LYS  37  -9.044  -3.815   4.877
  280   1HZ   LYS  37          3HZ       LYS  37 -10.590  -5.296   6.272
  281   2HZ   LYS  37          1HZ       LYS  37 -10.175  -4.316   7.544
  282   3HZ   LYS  37          2HZ       LYS  37 -10.851  -3.688   6.202
  283    H    VAL  38           H        VAL  38  -5.220  -7.876   3.073
  284    HA   VAL  38           HA       VAL  38  -6.185  -5.823   1.167
  285    HB   VAL  38           HB       VAL  38  -4.797  -8.471   0.701
  286   1HG1  VAL  38          1HG1      VAL  38  -6.420  -6.925  -1.373
  287   2HG1  VAL  38          2HG1      VAL  38  -5.329  -8.296  -1.693
  288   3HG1  VAL  38          3HG1      VAL  38  -6.799  -8.549  -0.756
  289   1HG2  VAL  38          3HG2      VAL  38  -4.462  -5.602  -0.154
  290   2HG2  VAL  38          1HG2      VAL  38  -3.324  -6.591   0.781
  291   3HG2  VAL  38          2HG2      VAL  38  -3.593  -6.889  -0.956
  292    H    LEU  39           H        LEU  39  -8.161  -6.244   0.189
  293    HA   LEU  39           HA       LEU  39  -9.977  -8.173   1.530
  294   1HB   LEU  39          1HB       LEU  39 -10.662  -5.424   0.450
  295   2HB   LEU  39          2HB       LEU  39 -11.775  -6.508   1.263
  296    HG   LEU  39           HG       LEU  39  -9.431  -5.093   2.601
  297   1HD1  LEU  39          1HD1      LEU  39 -11.502  -3.766   1.716
  298   2HD1  LEU  39          2HD1      LEU  39 -12.357  -4.497   3.069
  299   3HD1  LEU  39          3HD1      LEU  39 -10.912  -3.495   3.346
  300   1HD2  LEU  39          1HD2      LEU  39 -11.629  -6.926   3.640
  301   2HD2  LEU  39          2HD2      LEU  39  -9.867  -7.045   3.909
  302   3HD2  LEU  39          3HD2      LEU  39 -10.841  -5.767   4.661
  303    H    ASP  40           H        ASP  40 -12.076  -8.063  -0.087
  304    HA   ASP  40           HA       ASP  40 -11.140  -8.927  -2.665
  305   1HB   ASP  40          1HB       ASP  40 -13.083  -9.995  -1.543
  306   2HB   ASP  40          2HB       ASP  40 -13.976  -8.471  -1.676
  307    H    GLY  41           H        GLY  41 -12.633  -7.864  -4.535
  308   1HA   GLY  41          1HA       GLY  41 -12.608  -6.143  -6.060
  309   2HA   GLY  41          2HA       GLY  41 -13.201  -5.135  -4.724
  310    H    ASN  42           H        ASN  42 -10.182  -6.732  -4.389
  311    HA   ASN  42           HA       ASN  42  -8.096  -6.141  -4.093
  312   1HB   ASN  42          1HB       ASN  42  -6.885  -4.987  -5.802
  313   2HB   ASN  42          2HB       ASN  42  -7.981  -6.200  -6.454
  314   1HD2  ASN  42          2HD2      ASN  42  -8.836  -2.152  -7.087
  315   2HD2  ASN  42          1HD2      ASN  42  -8.022  -2.714  -5.645
  316    H    ARG  43           H        ARG  43  -9.998  -4.630  -2.452
  317    HA   ARG  43           HA       ARG  43  -8.656  -1.987  -2.188
  318   1HB   ARG  43          1HB       ARG  43 -10.919  -2.042  -1.492
  319   2HB   ARG  43          2HB       ARG  43 -10.678  -3.460  -0.475
  320   1HG   ARG  43          1HG       ARG  43  -9.368  -2.230   1.122
  321   2HG   ARG  43          2HG       ARG  43  -9.222  -0.828   0.054
  322   1HD   ARG  43          1HD       ARG  43 -11.929  -1.781   1.058
  323   2HD   ARG  43          2HD       ARG  43 -10.881  -0.725   2.012
  324    HE   ARG  43           HE       ARG  43 -11.161   0.305  -0.642
  325   1HH1  ARG  43          2HH2      ARG  43 -12.893   0.014   2.489
  326   2HH1  ARG  43          1HH2      ARG  43 -13.929   1.347   2.189
  327   1HH2  ARG  43          2HH1      ARG  43 -12.360   2.140  -0.976
  328   2HH2  ARG  43          1HH1      ARG  43 -13.602   2.655   0.122
  329    H    ILE  44           H        ILE  44  -7.068  -1.456  -0.655
  330    HA   ILE  44           HA       ILE  44  -5.791  -3.690   0.811
  331    HB   ILE  44           HB       ILE  44  -4.257  -1.447  -0.571
  332   1HG1  ILE  44          1HG1      ILE  44  -4.627  -4.240  -1.755
  333   2HG1  ILE  44          2HG1      ILE  44  -5.354  -2.766  -2.361
  334   1HG2  ILE  44          2HG2      ILE  44  -3.536  -3.987   0.942
  335   2HG2  ILE  44          3HG2      ILE  44  -2.384  -3.304  -0.198
  336   3HG2  ILE  44          1HG2      ILE  44  -2.942  -2.345   1.163
  337   1HD1  ILE  44          1HD1      ILE  44  -3.150  -1.779  -2.778
  338   2HD1  ILE  44          2HD1      ILE  44  -2.381  -3.327  -2.343
  339   3HD1  ILE  44          3HD1      ILE  44  -3.481  -3.241  -3.717
  340    H    VAL  45           H        VAL  45  -4.617  -2.818   2.759
  341    HA   VAL  45           HA       VAL  45  -5.140   0.004   3.387
  342    HB   VAL  45           HB       VAL  45  -5.656  -2.201   5.369
  343   1HG1  VAL  45          2HG1      VAL  45  -5.097  -0.017   6.358
  344   2HG1  VAL  45          3HG1      VAL  45  -6.406   0.739   5.432
  345   3HG1  VAL  45          1HG1      VAL  45  -6.768  -0.463   6.698
  346   1HG2  VAL  45          2HG2      VAL  45  -7.751  -0.728   3.739
  347   2HG2  VAL  45          3HG2      VAL  45  -7.460  -2.479   3.756
  348   3HG2  VAL  45          1HG2      VAL  45  -8.106  -1.670   5.193
  349    H    VAL  46           H        VAL  46  -3.524   0.861   4.573
  350    HA   VAL  46           HA       VAL  46  -1.181  -0.765   5.360
  351    HB   VAL  46           HB       VAL  46  -1.340   2.050   4.223
  352   1HG1  VAL  46          3HG1      VAL  46   0.550   1.837   5.754
  353   2HG1  VAL  46          1HG1      VAL  46   1.111   0.385   4.896
  354   3HG1  VAL  46          2HG1      VAL  46   1.121   1.977   4.102
  355   1HG2  VAL  46          2HG2      VAL  46  -1.692   0.043   2.523
  356   2HG2  VAL  46          3HG2      VAL  46  -0.718   1.439   2.146
  357   3HG2  VAL  46          1HG2      VAL  46   0.076  -0.054   2.646
  358    HA   PRO  47           HA       PRO  47  -2.234   1.560   9.162
  359   1HB   PRO  47          1HB       PRO  47   0.147   0.703  10.533
  360   2HB   PRO  47          2HB       PRO  47  -1.499   0.080  10.722
  361   1HG   PRO  47          1HG       PRO  47   0.569  -1.427   9.633
  362   2HG   PRO  47          2HG       PRO  47  -1.169  -1.648   9.265
  363   1HD   PRO  47          1HD       PRO  47   0.847  -0.105   7.640
  364   2HD   PRO  47          2HD       PRO  47  -0.347  -1.326   7.111
  365    H    VAL  48           H        VAL  48  -1.941   3.753   8.996
  366    HA   VAL  48           HA       VAL  48   0.748   4.825   8.408
  367    HB   VAL  48           HB       VAL  48  -0.930   5.925   7.079
  368   1HG1  VAL  48          3HG1      VAL  48  -2.517   6.213   9.548
  369   2HG1  VAL  48          1HG1      VAL  48  -2.760   7.250   8.154
  370   3HG1  VAL  48          2HG1      VAL  48  -2.984   5.492   7.986
  371   1HG2  VAL  48          3HG2      VAL  48   0.847   7.313   8.394
  372   2HG2  VAL  48          1HG2      VAL  48  -0.506   8.191   7.647
  373   3HG2  VAL  48          2HG2      VAL  48  -0.514   7.857   9.384
  374    H    GLY  49           H        GLY  49   2.000   5.069  10.146
  375   1HA   GLY  49          1HA       GLY  49   0.782   5.896  12.751
  376   2HA   GLY  49          2HA       GLY  49   2.233   4.886  12.597
  377    H    GLY  50           H        GLY  50   3.302   6.602  10.222
  378   1HA   GLY  50          1HA       GLY  50   3.718   9.227  11.422
  379   2HA   GLY  50          2HA       GLY  50   5.077   8.084  11.415
  380    H    MET  51           H        MET  51   2.461   8.456   9.016
  381    HA   MET  51           HA       MET  51   4.455   9.238   6.951
  382   1HB   MET  51          1HB       MET  51   1.776   7.868   6.552
  383   2HB   MET  51          2HB       MET  51   2.839   8.419   5.282
  384   1HG   MET  51          1HG       MET  51   4.482   6.871   5.690
  385   2HG   MET  51          2HG       MET  51   3.917   6.518   7.319
  386   1HE   MET  51          2HE       MET  51   4.833   4.318   6.071
  387   2HE   MET  51          3HE       MET  51   3.766   3.233   5.141
  388   3HE   MET  51          1HE       MET  51   4.545   4.627   4.370
  389    H    HIS  52           H        HIS  52   4.340  11.362   7.840
  390    HA   HIS  52           HA       HIS  52   1.993  12.915   8.355
  391   1HB   HIS  52          1HB       HIS  52   4.919  13.734   8.015
  392   2HB   HIS  52          2HB       HIS  52   3.648  14.685   8.780
  393    HD1  HIS  52           HD1      HIS  52   5.871  11.627   9.391
  394    HD2  HIS  52           HD2      HIS  52   2.961  14.034  11.252
  395    HE1  HIS  52           HE1      HIS  52   5.860  10.970  11.883
  396    H    LYS  53           H        LYS  53   4.571  13.335   5.826
  397    HA   LYS  53           HA       LYS  53   3.188  15.488   4.461
  398   1HB   LYS  53          1HB       LYS  53   5.607  15.171   4.205
  399   2HB   LYS  53          2HB       LYS  53   5.361  13.550   3.533
  400   1HG   LYS  53          1HG       LYS  53   4.234  14.451   1.578
  401   2HG   LYS  53          2HG       LYS  53   4.205  16.080   2.277
  402   1HD   LYS  53          1HD       LYS  53   6.592  16.309   2.074
  403   2HD   LYS  53          2HD       LYS  53   6.797  14.591   1.706
  404   1HE   LYS  53          1HE       LYS  53   7.008  15.986  -0.322
  405   2HE   LYS  53          2HE       LYS  53   5.663  14.846  -0.447
  406   1HZ   LYS  53          1HZ       LYS  53   5.402  17.733   0.202
  407   2HZ   LYS  53          2HZ       LYS  53   5.116  17.066  -1.233
  408   3HZ   LYS  53          3HZ       LYS  53   4.150  16.714   0.051
  409    H    THR  54           H        THR  54   3.263  11.951   4.221
  410    HA   THR  54           HA       THR  54   1.460  11.834   1.970
  411    HB   THR  54           HB       THR  54   2.571   9.962   3.998
  412    HG1  THR  54           HG1      THR  54   3.716  10.643   2.250
  413   1HG2  THR  54          1HG2      THR  54   0.298   9.237   2.118
  414   2HG2  THR  54          2HG2      THR  54   1.538   8.063   2.597
  415   3HG2  THR  54          3HG2      THR  54   0.521   8.819   3.827
  416    H    GLU  55           H        GLU  55   0.791  11.950   5.543
  417    HA   GLU  55           HA       GLU  55  -1.958  11.566   5.426
  418   1HB   GLU  55          1HB       GLU  55  -0.568  11.576   7.444
  419   2HB   GLU  55          2HB       GLU  55  -0.509  13.333   7.356
  420   1HG   GLU  55          1HG       GLU  55  -2.919  13.478   7.686
  421   2HG   GLU  55          2HG       GLU  55  -3.058  11.713   7.619
  422    H    ALA  56           H        ALA  56  -0.140  14.612   5.205
  423    HA   ALA  56           HA       ALA  56  -2.385  16.279   4.551
  424   1HB   ALA  56          2HB       ALA  56  -0.232  17.162   5.388
  425   2HB   ALA  56          3HB       ALA  56   0.575  16.645   3.889
  426   3HB   ALA  56          1HB       ALA  56  -0.672  17.909   3.839
  427    H    ASN  57           H        ASN  57  -0.089  14.455   2.493
  428    HA   ASN  57           HA       ASN  57  -0.944  15.630   0.051
  429   1HB   ASN  57          1HB       ASN  57   0.478  13.065   0.712
  430   2HB   ASN  57          2HB       ASN  57  -0.017  13.355  -0.917
  431   1HD2  ASN  57          2HD2      ASN  57   3.216  14.731  -1.347
  432   2HD2  ASN  57          1HD2      ASN  57   2.311  13.237  -1.463
  433    H    VAL  58           H        VAL  58  -2.188  12.599   1.658
  434    HA   VAL  58           HA       VAL  58  -4.069  12.159  -0.489
  435    HB   VAL  58           HB       VAL  58  -4.377  11.248   2.336
  436   1HG1  VAL  58          3HG1      VAL  58  -6.461  11.065   1.120
  437   2HG1  VAL  58          1HG1      VAL  58  -5.642  10.129  -0.143
  438   3HG1  VAL  58          2HG1      VAL  58  -5.793   9.465   1.498
  439   1HG2  VAL  58          3HG2      VAL  58  -3.110   9.757   0.000
  440   2HG2  VAL  58          1HG2      VAL  58  -2.278  10.290   1.485
  441   3HG2  VAL  58          2HG2      VAL  58  -3.491   9.021   1.575
  442    H    ALA  59           H        ALA  59  -4.225  13.795   2.746
  443    HA   ALA  59           HA       ALA  59  -6.945  14.483   2.670
  444   1HB   ALA  59          1HB       ALA  59  -5.482  14.782   4.645
  445   2HB   ALA  59          2HB       ALA  59  -4.639  16.112   3.812
  446   3HB   ALA  59          3HB       ALA  59  -6.354  16.275   4.235
  447    H    ARG  60           H        ARG  60  -4.267  15.985   0.823
  448    HA   ARG  60           HA       ARG  60  -6.115  18.083  -0.144
  449   1HB   ARG  60          1HB       ARG  60  -3.213  17.404  -0.720
  450   2HB   ARG  60          2HB       ARG  60  -4.101  18.638  -1.631
  451   1HG   ARG  60          1HG       ARG  60  -4.592  19.920   0.358
  452   2HG   ARG  60          2HG       ARG  60  -3.918  18.679   1.423
  453   1HD   ARG  60          1HD       ARG  60  -2.325  20.197  -0.672
  454   2HD   ARG  60          2HD       ARG  60  -2.414  20.641   1.039
  455    HE   ARG  60           HE       ARG  60  -1.686  17.888   0.736
  456   1HH1  ARG  60          2HH2      ARG  60  -0.371  21.211   0.337
  457   2HH1  ARG  60          1HH2      ARG  60   1.244  20.788   0.627
  458   1HH2  ARG  60          2HH1      ARG  60   0.714  17.299   0.947
  459   2HH2  ARG  60          1HH1      ARG  60   1.827  18.588   0.822
  460    H    ASP  61           H        ASP  61  -4.520  15.135  -1.581
  461    HA   ASP  61           HA       ASP  61  -6.904  14.930  -3.265
  462   1HB   ASP  61          1HB       ASP  61  -5.274  16.389  -4.579
  463   2HB   ASP  61          2HB       ASP  61  -4.235  14.967  -4.706
  464    H    GLU  62           H        GLU  62  -7.276  12.837  -3.952
  465    HA   GLU  62           HA       GLU  62  -6.254  10.838  -2.138
  466   1HB   GLU  62          1HB       GLU  62  -7.914   9.324  -3.279
  467   2HB   GLU  62          2HB       GLU  62  -8.530  10.784  -2.539
  468   1HG   GLU  62          1HG       GLU  62  -9.765  10.621  -4.453
  469   2HG   GLU  62          2HG       GLU  62  -8.591  11.840  -4.879
  470    H    ARG  63           H        ARG  63  -5.088  11.749  -5.048
  471    HA   ARG  63           HA       ARG  63  -4.565   9.546  -6.604
  472   1HB   ARG  63          1HB       ARG  63  -2.701  11.872  -5.967
  473   2HB   ARG  63          2HB       ARG  63  -2.641  10.974  -7.490
  474   1HG   ARG  63          1HG       ARG  63  -4.916  12.745  -6.510
  475   2HG   ARG  63          2HG       ARG  63  -3.593  13.307  -7.465
  476   1HD   ARG  63          1HD       ARG  63  -4.896  13.043  -9.170
  477   2HD   ARG  63          2HD       ARG  63  -4.332  11.361  -9.088
  478    HE   ARG  63           HE       ARG  63  -6.275  10.916  -7.621
  479   1HH1  ARG  63          2HH2      ARG  63  -6.536  14.195  -8.173
  480   2HH1  ARG  63          1HH2      ARG  63  -8.182  14.277  -8.446
  481   1HH2  ARG  63          2HH1      ARG  63  -8.547  10.818  -7.889
  482   2HH2  ARG  63          1HH1      ARG  63  -9.421  12.285  -8.133
  483    H    VAL  64           H        VAL  64  -3.548   7.537  -6.085
  484    HA   VAL  64           HA       VAL  64  -0.781   7.924  -5.176
  485    HB   VAL  64           HB       VAL  64  -0.739   6.252  -3.553
  486   1HG1  VAL  64          3HG1      VAL  64  -1.536   8.510  -2.756
  487   2HG1  VAL  64          1HG1      VAL  64  -3.176   7.908  -2.811
  488   3HG1  VAL  64          2HG1      VAL  64  -1.987   7.165  -1.715
  489   1HG2  VAL  64          3HG2      VAL  64  -2.430   4.642  -4.378
  490   2HG2  VAL  64          1HG2      VAL  64  -2.760   5.063  -2.698
  491   3HG2  VAL  64          2HG2      VAL  64  -3.733   5.790  -3.999
  492    H    LEU  65           H        LEU  65   0.676   6.455  -5.576
  493    HA   LEU  65           HA       LEU  65   0.061   4.287  -7.535
  494   1HB   LEU  65          1HB       LEU  65   1.272   5.931  -8.726
  495   2HB   LEU  65          2HB       LEU  65   2.405   6.217  -7.437
  496    HG   LEU  65           HG       LEU  65   2.308   3.507  -8.799
  497   1HD1  LEU  65          3HD1      LEU  65   3.837   5.992  -9.687
  498   2HD1  LEU  65          1HD1      LEU  65   4.074   4.355 -10.329
  499   3HD1  LEU  65          2HD1      LEU  65   2.529   5.181 -10.579
  500   1HD2  LEU  65          2HD2      LEU  65   4.589   5.073  -7.481
  501   2HD2  LEU  65          3HD2      LEU  65   3.761   3.698  -6.743
  502   3HD2  LEU  65          1HD2      LEU  65   4.712   3.459  -8.204
  503    H    MET  66           H        MET  66   1.205   2.278  -6.880
  504    HA   MET  66           HA       MET  66   2.441   2.354  -4.178
  505   1HB   MET  66          1HB       MET  66   0.029   2.096  -3.847
  506   2HB   MET  66          2HB       MET  66  -0.019   0.752  -4.968
  507   1HG   MET  66          1HG       MET  66   1.321  -0.614  -3.391
  508   2HG   MET  66          2HG       MET  66   1.380   0.768  -2.281
  509   1HE   MET  66          3HE       MET  66   0.161  -0.299  -0.183
  510   2HE   MET  66          1HE       MET  66  -1.383  -1.156  -0.259
  511   3HE   MET  66          2HE       MET  66   0.065  -1.915  -0.946
  512    H    THR  67           H        THR  67   4.049   0.675  -3.960
  513    HA   THR  67           HA       THR  67   4.280  -1.085  -6.346
  514    HB   THR  67           HB       THR  67   6.597  -0.793  -6.450
  515    HG1  THR  67           HG1      THR  67   7.787   0.296  -4.850
  516   1HG2  THR  67          1HG2      THR  67   5.522   1.387  -7.193
  517   2HG2  THR  67          2HG2      THR  67   5.798   2.034  -5.561
  518   3HG2  THR  67          3HG2      THR  67   7.171   1.593  -6.568
  519    H    LEU  68           H        LEU  68   4.336  -3.290  -5.646
  520    HA   LEU  68           HA       LEU  68   4.988  -3.717  -2.796
  521   1HB   LEU  68          1HB       LEU  68   3.458  -5.289  -2.357
  522   2HB   LEU  68          2HB       LEU  68   2.516  -4.004  -3.099
  523    HG   LEU  68           HG       LEU  68   3.468  -6.385  -4.767
  524   1HD1  LEU  68          1HD1      LEU  68   2.382  -7.324  -2.749
  525   2HD1  LEU  68          2HD1      LEU  68   0.967  -6.302  -3.048
  526   3HD1  LEU  68          3HD1      LEU  68   1.420  -7.568  -4.220
  527   1HD2  LEU  68          2HD2      LEU  68   1.000  -4.595  -4.857
  528   2HD2  LEU  68          3HD2      LEU  68   2.433  -4.428  -5.885
  529   3HD2  LEU  68          1HD2      LEU  68   1.419  -5.887  -6.005
  530    H    GLY  69           H        GLY  69   5.802  -6.041  -2.442
  531   1HA   GLY  69          1HA       GLY  69   6.574  -7.509  -4.770
  532   2HA   GLY  69          2HA       GLY  69   7.949  -6.632  -4.060
  533    H    SER  70           H        SER  70   8.500  -9.097  -3.947
  534    HA   SER  70           HA       SER  70   8.162  -9.820  -1.148
  535   1HB   SER  70          1HB       SER  70   6.267 -10.990  -2.211
  536   2HB   SER  70          2HB       SER  70   7.407 -11.813  -3.305
  537    HG   SER  70           HG       SER  70   7.387 -11.879  -0.458
  538    H    ARG  71           H        ARG  71   9.617 -11.507  -0.529
  539    HA   ARG  71           HA       ARG  71  12.185 -11.573  -2.075
  540   1HB   ARG  71          1HB       ARG  71  11.608 -12.542   0.763
  541   2HB   ARG  71          2HB       ARG  71  13.188 -12.338   0.006
  542   1HG   ARG  71          1HG       ARG  71  12.763  -9.846  -0.071
  543   2HG   ARG  71          2HG       ARG  71  11.280 -10.111   0.857
  544   1HD   ARG  71          1HD       ARG  71  14.120 -10.761   1.747
  545   2HD   ARG  71          2HD       ARG  71  13.136  -9.420   2.319
  546    HE   ARG  71           HE       ARG  71  12.756 -12.314   2.880
  547   1HH1  ARG  71          2HH2      ARG  71  12.000  -8.929   3.952
  548   2HH1  ARG  71          1HH2      ARG  71  10.962  -9.555   5.215
  549   1HH2  ARG  71          2HH1      ARG  71  11.458 -12.910   4.799
  550   2HH2  ARG  71          1HH1      ARG  71  10.702 -11.577   5.648
  551    H    LYS  72           H        LYS  72   9.344 -13.367  -1.688
  552    HA   LYS  72           HA       LYS  72  10.655 -16.018  -1.701
  553   1HB   LYS  72          1HB       LYS  72   7.852 -14.988  -1.247
  554   2HB   LYS  72          2HB       LYS  72   8.075 -16.666  -1.674
  555   1HG   LYS  72          1HG       LYS  72   9.686 -15.445   0.591
  556   2HG   LYS  72          2HG       LYS  72   8.039 -15.979   0.881
  557   1HD   LYS  72          1HD       LYS  72   9.967 -17.904  -0.453
  558   2HD   LYS  72          2HD       LYS  72  10.115 -17.590   1.267
  559   1HE   LYS  72          1HE       LYS  72   8.769 -19.585   0.883
  560   2HE   LYS  72          2HE       LYS  72   7.843 -18.327   1.708
  561   1HZ   LYS  72          1HZ       LYS  72   7.643 -18.853  -1.194
  562   2HZ   LYS  72          2HZ       LYS  72   6.598 -19.439  -0.055
  563   3HZ   LYS  72          3HZ       LYS  72   6.708 -17.831  -0.293
  564    H    VAL  73           H        VAL  73   9.793 -13.840  -4.229
  565    HA   VAL  73           HA       VAL  73   9.500 -16.142  -6.041
  566    HB   VAL  73           HB       VAL  73   7.729 -13.669  -6.132
  567   1HG1  VAL  73          1HG1      VAL  73   8.249 -14.582  -8.380
  568   2HG1  VAL  73          2HG1      VAL  73   7.725 -16.196  -7.849
  569   3HG1  VAL  73          3HG1      VAL  73   6.559 -14.861  -7.960
  570   1HG2  VAL  73          2HG2      VAL  73   7.004 -16.522  -5.362
  571   2HG2  VAL  73          3HG2      VAL  73   6.914 -15.079  -4.324
  572   3HG2  VAL  73          1HG2      VAL  73   5.833 -15.229  -5.705
  573    H    ALA  74           H        ALA  74  10.654 -15.779  -7.971
  574    HA   ALA  74           HA       ALA  74  12.723 -13.770  -7.708
  575   1HB   ALA  74          2HB       ALA  74  13.262 -16.078  -8.439
  576   2HB   ALA  74          3HB       ALA  74  12.219 -15.866  -9.870
  577   3HB   ALA  74          1HB       ALA  74  13.691 -14.893  -9.689
  578    H    GLY  75           H        GLY  75  12.912 -11.858  -8.778
  579   1HA   GLY  75          1HA       GLY  75  10.790 -11.113 -10.657
  580   2HA   GLY  75          2HA       GLY  75  11.693 -10.036  -9.597
  581    H    ARG  76           H        ARG  76  12.557  -8.714 -10.931
  582    HA   ARG  76           HA       ARG  76  14.231  -9.631 -13.230
  583   1HB   ARG  76          1HB       ARG  76  13.740  -6.748 -12.382
  584   2HB   ARG  76          2HB       ARG  76  14.411  -7.350 -13.889
  585   1HG   ARG  76          1HG       ARG  76  11.574  -7.386 -12.922
  586   2HG   ARG  76          2HG       ARG  76  12.246  -6.487 -14.264
  587   1HD   ARG  76          1HD       ARG  76  11.030  -8.082 -15.371
  588   2HD   ARG  76          2HD       ARG  76  12.645  -8.791 -15.390
  589    HE   ARG  76           HE       ARG  76  11.822 -10.565 -14.237
  590   1HH1  ARG  76          2HH2      ARG  76   9.653  -7.839 -13.444
  591   2HH1  ARG  76          1HH2      ARG  76   9.008  -8.647 -12.119
  592   1HH2  ARG  76          2HH1      ARG  76  10.350 -11.832 -12.975
  593   2HH2  ARG  76          1HH1      ARG  76   8.983 -11.072 -12.238
  594    H    ASN  77           H        ASN  77  14.197  -7.542 -10.298
  595    HA   ASN  77           HA       ASN  77  17.123  -7.595 -10.139
  596   1HB   ASN  77          1HB       ASN  77  16.924  -6.084  -8.338
  597   2HB   ASN  77          2HB       ASN  77  15.833  -5.524  -9.586
  598   1HD2  ASN  77          2HD2      ASN  77  13.027  -6.597  -7.278
  599   2HD2  ASN  77          1HD2      ASN  77  13.227  -6.906  -8.948
  600    H    GLY  78           H        GLY  78  17.757  -9.686  -9.685
  601   1HA   GLY  78          1HA       GLY  78  18.321 -11.429  -8.270
  602   2HA   GLY  78          2HA       GLY  78  17.786 -10.401  -6.926
  603    HA   PRO  79           HA       PRO  79  14.699 -13.831  -7.248
  604   1HB   PRO  79          1HB       PRO  79  15.090 -15.120  -4.909
  605   2HB   PRO  79          2HB       PRO  79  16.191 -15.345  -6.304
  606   1HG   PRO  79          1HG       PRO  79  16.579 -13.484  -3.927
  607   2HG   PRO  79          2HG       PRO  79  17.740 -14.685  -4.581
  608   1HD   PRO  79          1HD       PRO  79  17.767 -12.018  -5.286
  609   2HD   PRO  79          2HD       PRO  79  18.264 -13.316  -6.416
  610    H    GLY  80           H        GLY  80  14.003 -11.294  -6.969
  611   1HA   GLY  80          1HA       GLY  80  11.925 -11.393  -4.894
  612   2HA   GLY  80          2HA       GLY  80  13.058 -10.024  -4.825
  613    H    THR  81           H        THR  81  10.069 -10.863  -5.992
  614    HA   THR  81           HA       THR  81  10.347  -9.032  -8.350
  615    HB   THR  81           HB       THR  81   9.709 -11.502  -8.725
  616    HG1  THR  81           HG1      THR  81   9.225  -9.421 -10.004
  617   1HG2  THR  81          2HG2      THR  81   8.012 -11.617  -6.892
  618   2HG2  THR  81          3HG2      THR  81   6.946 -10.603  -7.882
  619   3HG2  THR  81          1HG2      THR  81   7.456 -12.195  -8.479
  620    H    GLY  82           H        GLY  82   8.281  -7.826  -8.904
  621   1HA   GLY  82          1HA       GLY  82   6.374  -7.396  -6.795
  622   2HA   GLY  82          2HA       GLY  82   7.557  -6.077  -6.937
  623    H    PHE  83           H        PHE  83   5.287  -5.147  -7.302
  624    HA   PHE  83           HA       PHE  83   4.610  -5.032 -10.190
  625   1HB   PHE  83          1HB       PHE  83   2.751  -5.555  -7.837
  626   2HB   PHE  83          2HB       PHE  83   2.187  -4.914  -9.365
  627    HD1  PHE  83           HD1      PHE  83   4.114  -7.937  -8.100
  628    HD2  PHE  83           HD2      PHE  83   1.086  -6.361 -10.740
  629    HE1  PHE  83           HE1      PHE  83   3.676 -10.214  -8.974
  630    HE2  PHE  83           HE2      PHE  83   0.627  -8.642 -11.571
  631    HZ   PHE  83           HZ       PHE  83   1.968 -10.561 -10.733
  632    H    LEU  84           H        LEU  84   3.594  -3.106 -10.726
  633    HA   LEU  84           HA       LEU  84   3.890  -0.786  -8.883
  634   1HB   LEU  84          1HB       LEU  84   5.295  -0.724 -10.927
  635   2HB   LEU  84          2HB       LEU  84   3.858  -0.879 -11.942
  636    HG   LEU  84           HG       LEU  84   4.024   1.374  -9.909
  637   1HD1  LEU  84          3HD1      LEU  84   5.383   1.340 -12.635
  638   2HD1  LEU  84          1HD1      LEU  84   5.177   2.776 -11.613
  639   3HD1  LEU  84          2HD1      LEU  84   6.184   1.438 -11.048
  640   1HD2  LEU  84          1HD2      LEU  84   2.816   1.216 -12.716
  641   2HD2  LEU  84          2HD2      LEU  84   1.902   1.132 -11.211
  642   3HD2  LEU  84          3HD2      LEU  84   2.744   2.621 -11.633
  643    H    ILE  85           H        ILE  85   1.880   0.154  -8.359
  644    HA   ILE  85           HA       ILE  85  -0.512  -0.939  -9.767
  645    HB   ILE  85           HB       ILE  85  -0.401  -0.286  -6.784
  646   1HG1  ILE  85          1HG1      ILE  85   1.346  -2.081  -7.009
  647   2HG1  ILE  85          2HG1      ILE  85  -0.042  -2.524  -6.056
  648   1HG2  ILE  85          3HG2      ILE  85  -2.051  -2.118  -8.614
  649   2HG2  ILE  85          1HG2      ILE  85  -2.271  -2.059  -6.879
  650   3HG2  ILE  85          2HG2      ILE  85  -2.579  -0.620  -7.879
  651   1HD1  ILE  85          1HD1      ILE  85   0.284  -3.369  -8.942
  652   2HD1  ILE  85          2HD1      ILE  85   0.856  -4.306  -7.577
  653   3HD1  ILE  85          3HD1      ILE  85  -0.860  -4.000  -7.702
  654    H    ARG  86           H        ARG  86  -2.302   0.650  -9.648
  655    HA   ARG  86           HA       ARG  86  -1.632   3.406  -8.690
  656   1HB   ARG  86          1HB       ARG  86  -2.786   2.552 -11.381
  657   2HB   ARG  86          2HB       ARG  86  -2.782   4.221 -10.802
  658   1HG   ARG  86          1HG       ARG  86  -0.411   4.393 -10.886
  659   2HG   ARG  86          2HG       ARG  86  -0.171   2.658 -11.056
  660   1HD   ARG  86          1HD       ARG  86  -1.509   4.363 -13.176
  661   2HD   ARG  86          2HD       ARG  86   0.202   3.939 -13.148
  662    HE   ARG  86           HE       ARG  86  -0.292   1.609 -13.445
  663   1HH1  ARG  86          2HH2      ARG  86  -3.109   3.684 -14.052
  664   2HH1  ARG  86          1HH2      ARG  86  -3.955   2.458 -14.942
  665   1HH2  ARG  86          2HH1      ARG  86  -1.404   0.038 -14.456
  666   2HH2  ARG  86          1HH1      ARG  86  -2.885   0.319 -15.296
  667    H    GLY  87           H        GLY  87  -3.466   4.550  -7.804
  668   1HA   GLY  87          1HA       GLY  87  -6.160   3.784  -8.171
  669   2HA   GLY  87          2HA       GLY  87  -5.516   3.028  -6.698
  670    H    SER  88           H        SER  88  -7.230   4.379  -5.725
  671    HA   SER  88           HA       SER  88  -6.339   7.186  -5.172
  672   1HB   SER  88          1HB       SER  88  -9.087   5.874  -4.907
  673   2HB   SER  88          2HB       SER  88  -8.711   7.585  -4.688
  674    HG   SER  88           HG       SER  88  -8.864   7.856  -6.743
  675    H    ALA  89           H        ALA  89  -6.270   7.724  -2.899
  676    HA   ALA  89           HA       ALA  89  -6.396   5.470  -0.962
  677   1HB   ALA  89          1HB       ALA  89  -4.765   8.030  -1.026
  678   2HB   ALA  89          2HB       ALA  89  -4.852   6.949   0.369
  679   3HB   ALA  89          3HB       ALA  89  -4.173   6.353  -1.156
  680    H    ALA  90           H        ALA  90  -7.020   6.045   1.274
  681    HA   ALA  90           HA       ALA  90  -8.347   8.580   1.784
  682   1HB   ALA  90          1HB       ALA  90  -9.979   5.988   1.728
  683   2HB   ALA  90          2HB       ALA  90 -10.528   7.536   2.410
  684   3HB   ALA  90          3HB       ALA  90 -10.210   7.403   0.670
  685    H    PHE  91           H        PHE  91  -7.709   9.019   3.893
  686    HA   PHE  91           HA       PHE  91  -6.773   6.832   5.615
  687   1HB   PHE  91          1HB       PHE  91  -7.106   9.825   6.071
  688   2HB   PHE  91          2HB       PHE  91  -6.540   8.699   7.300
  689    HD1  PHE  91           HD2      PHE  91  -4.532   7.142   6.647
  690    HD2  PHE  91           HD1      PHE  91  -5.462  10.861   4.662
  691    HE1  PHE  91           HE2      PHE  91  -2.164   7.340   5.835
  692    HE2  PHE  91           HE1      PHE  91  -3.117  10.956   3.844
  693    HZ   PHE  91           HZ       PHE  91  -1.516   9.221   4.394
  694    H    ARG  92           H        ARG  92  -7.951   5.883   7.241
  695    HA   ARG  92           HA       ARG  92 -10.471   7.165   8.135
  696   1HB   ARG  92          1HB       ARG  92 -10.187   4.254   7.269
  697   2HB   ARG  92          2HB       ARG  92 -11.527   4.869   8.230
  698   1HG   ARG  92          1HG       ARG  92 -10.829   5.744   5.411
  699   2HG   ARG  92          2HG       ARG  92 -12.143   4.666   5.863
  700   1HD   ARG  92          1HD       ARG  92 -11.948   7.558   6.834
  701   2HD   ARG  92          2HD       ARG  92 -12.744   7.080   5.371
  702    HE   ARG  92           HE       ARG  92 -13.859   5.521   7.485
  703   1HH1  ARG  92          2HH2      ARG  92 -13.680   8.908   6.474
  704   2HH1  ARG  92          1HH2      ARG  92 -15.248   9.326   7.073
  705   1HH2  ARG  92          2HH1      ARG  92 -15.907   6.055   8.333
  706   2HH2  ARG  92          1HH1      ARG  92 -16.574   7.630   8.170
  707    H    THR  93           H        THR  93 -10.833   6.961  10.315
  708    HA   THR  93           HA       THR  93  -9.128   5.167  11.962
  709    HB   THR  93           HB       THR  93  -9.646   6.917  13.731
  710    HG1  THR  93           HG1      THR  93 -11.309   8.004  12.913
  711   1HG2  THR  93          1HG2      THR  93  -7.456   6.909  12.594
  712   2HG2  THR  93          2HG2      THR  93  -8.103   7.959  11.309
  713   3HG2  THR  93          3HG2      THR  93  -7.979   8.553  12.974
  714    H    ASP  94           H        ASP  94 -11.274   4.231  10.446
  715    HA   ASP  94           HA       ASP  94 -13.430   3.554  12.263
  716   1HB   ASP  94          1HB       ASP  94 -14.177   5.729  11.472
  717   2HB   ASP  94          2HB       ASP  94 -13.631   5.393   9.829
  718    H    GLY  95           H        GLY  95 -14.780   1.983  11.290
  719   1HA   GLY  95          1HA       GLY  95 -15.514   0.393   9.906
  720   2HA   GLY  95          2HA       GLY  95 -14.351   0.916   8.678
  721    HA   PRO  96           HA       PRO  96 -13.172  -3.335  10.319
  722   1HB   PRO  96          1HB       PRO  96 -13.307  -4.651   7.907
  723   2HB   PRO  96          2HB       PRO  96 -14.652  -4.525   9.083
  724   1HG   PRO  96          1HG       PRO  96 -14.147  -2.798   6.639
  725   2HG   PRO  96          2HG       PRO  96 -15.679  -3.580   7.151
  726   1HD   PRO  96          1HD       PRO  96 -15.191  -0.981   7.702
  727   2HD   PRO  96          2HD       PRO  96 -15.985  -2.025   8.921
  728    H    GLU  97           H        GLU  97 -12.257  -1.029   7.976
  729    HA   GLU  97           HA       GLU  97  -9.708  -1.999   7.087
  730   1HB   GLU  97          1HB       GLU  97 -11.085   0.681   7.290
  731   2HB   GLU  97          2HB       GLU  97  -9.393   0.592   6.852
  732   1HG   GLU  97          1HG       GLU  97 -11.129   0.830   5.024
  733   2HG   GLU  97          2HG       GLU  97  -9.795  -0.253   4.767
  734    H    PHE  98           H        PHE  98 -10.681   0.462   9.536
  735    HA   PHE  98           HA       PHE  98  -8.118   0.633  10.767
  736   1HB   PHE  98          1HB       PHE  98  -9.930   2.392  10.685
  737   2HB   PHE  98          2HB       PHE  98 -10.786   1.468  11.918
  738    HD1  PHE  98           HD1      PHE  98  -7.254   2.702  11.279
  739    HD2  PHE  98           HD2      PHE  98 -10.515   2.383  14.087
  740    HE1  PHE  98           HE1      PHE  98  -5.907   3.898  12.982
  741    HE2  PHE  98           HE2      PHE  98  -9.177   3.617  15.763
  742    HZ   PHE  98           HZ       PHE  98  -6.858   4.366  15.216
  743    H    GLU  99           H        GLU  99 -10.997  -1.393  11.453
  744    HA   GLU  99           HA       GLU  99 -10.038  -2.438  13.918
  745   1HB   GLU  99          1HB       GLU  99 -11.695  -3.766  11.751
  746   2HB   GLU  99          2HB       GLU  99 -11.472  -4.423  13.363
  747   1HG   GLU  99          1HG       GLU  99 -12.793  -2.778  14.396
  748   2HG   GLU  99          2HG       GLU  99 -12.664  -1.661  13.039
  749    H    ALA 100           H        ALA 100  -9.641  -3.652  10.546
  750    HA   ALA 100           HA       ALA 100  -8.127  -5.952  11.269
  751   1HB   ALA 100          2HB       ALA 100  -8.122  -4.362   8.686
  752   2HB   ALA 100          3HB       ALA 100  -7.435  -5.996   8.901
  753   3HB   ALA 100          1HB       ALA 100  -9.184  -5.743   9.088
  754    H    ILE 101           H        ILE 101  -7.091  -2.587  10.550
  755    HA   ILE 101           HA       ILE 101  -4.305  -3.453  11.093
  756    HB   ILE 101           HB       ILE 101  -3.438  -1.426  10.526
  757   1HG1  ILE 101          1HG1      ILE 101  -4.907   0.489   9.804
  758   2HG1  ILE 101          2HG1      ILE 101  -6.165  -0.289  10.809
  759   1HG2  ILE 101          3HG2      ILE 101  -4.285  -2.879   8.700
  760   2HG2  ILE 101          1HG2      ILE 101  -5.749  -1.867   8.624
  761   3HG2  ILE 101          2HG2      ILE 101  -4.157  -1.169   8.271
  762   1HD1  ILE 101          3HD1      ILE 101  -3.471   0.513  11.896
  763   2HD1  ILE 101          1HD1      ILE 101  -4.835   1.646  11.825
  764   3HD1  ILE 101          2HD1      ILE 101  -4.964   0.188  12.807
  765    H    ALA 102           H        ALA 102  -6.908  -2.336  13.135
  766    HA   ALA 102           HA       ALA 102  -5.574  -1.294  15.290
  767   1HB   ALA 102          3HB       ALA 102  -8.050  -1.548  15.155
  768   2HB   ALA 102          1HB       ALA 102  -7.858  -3.275  15.560
  769   3HB   ALA 102          2HB       ALA 102  -7.358  -2.033  16.706
  770    H    ARG 103           H        ARG 103  -5.395  -4.558  14.148
  771    HA   ARG 103           HA       ARG 103  -4.339  -5.884  16.405
  772   1HB   ARG 103          1HB       ARG 103  -3.520  -7.536  14.957
  773   2HB   ARG 103          2HB       ARG 103  -4.988  -6.929  14.206
  774   1HG   ARG 103          1HG       ARG 103  -3.469  -5.524  12.662
  775   2HG   ARG 103          2HG       ARG 103  -2.102  -6.419  13.356
  776   1HD   ARG 103          1HD       ARG 103  -3.344  -8.566  12.735
  777   2HD   ARG 103          2HD       ARG 103  -4.477  -7.579  11.825
  778    HE   ARG 103           HE       ARG 103  -1.680  -8.244  11.205
  779   1HH1  ARG 103          2HH2      ARG 103  -4.380  -6.143  10.264
  780   2HH1  ARG 103          1HH2      ARG 103  -3.880  -6.046   8.600
  781   1HH2  ARG 103          2HH1      ARG 103  -1.078  -8.170   8.953
  782   2HH2  ARG 103          1HH1      ARG 103  -2.005  -7.270   7.826
  783    H    PHE 104           H        PHE 104  -2.745  -3.494  14.304
  784    HA   PHE 104           HA       PHE 104  -0.097  -3.970  15.554
  785   1HB   PHE 104          1HB       PHE 104  -1.071  -1.634  13.836
  786   2HB   PHE 104          2HB       PHE 104   0.599  -2.105  14.132
  787    HD1  PHE 104           HD2      PHE 104   1.141  -4.662  13.462
  788    HD2  PHE 104           HD1      PHE 104  -1.940  -2.219  11.742
  789    HE1  PHE 104           HE2      PHE 104   1.119  -6.120  11.460
  790    HE2  PHE 104           HE1      PHE 104  -2.041  -3.744   9.765
  791    HZ   PHE 104           HZ       PHE 104  -0.475  -5.640   9.611
  792    H    LYS 105           H        LYS 105   0.856  -1.818  16.795
  793    HA   LYS 105           HA       LYS 105  -1.403  -0.331  18.023
  794   1HB   LYS 105          1HB       LYS 105  -0.493  -2.445  19.132
  795   2HB   LYS 105          2HB       LYS 105   1.046  -1.610  19.276
  796   1HG   LYS 105          1HG       LYS 105  -0.165  -1.627  21.270
  797   2HG   LYS 105          2HG       LYS 105   0.063   0.045  20.775
  798   1HD   LYS 105          1HD       LYS 105  -2.184  -0.316  21.713
  799   2HD   LYS 105          2HD       LYS 105  -2.290   0.206  20.048
  800   1HE   LYS 105          1HE       LYS 105  -2.289  -2.766  20.441
  801   2HE   LYS 105          2HE       LYS 105  -3.634  -1.928  21.214
  802   1HZ   LYS 105          1HZ       LYS 105  -4.233  -0.989  19.055
  803   2HZ   LYS 105          2HZ       LYS 105  -3.008  -1.789  18.314
  804   3HZ   LYS 105          3HZ       LYS 105  -4.204  -2.621  18.950
  805    H    TRP 106           H        TRP 106   1.297   0.180  16.148
  806    HA   TRP 106           HA       TRP 106   1.916   2.787  17.423
  807   1HB   TRP 106          1HB       TRP 106   3.749   2.723  15.646
  808   2HB   TRP 106          2HB       TRP 106   3.873   1.585  16.967
  809    HD1  TRP 106           HD1      TRP 106   4.273  -0.851  16.368
  810    HE1  TRP 106           HE1      TRP 106   4.335  -2.251  14.213
  811    HE3  TRP 106           HE3      TRP 106   2.477   2.623  13.068
  812    HZ2  TRP 106           HZ2      TRP 106   3.590  -1.942  11.427
  813    HZ3  TRP 106           HZ3      TRP 106   2.147   2.056  10.713
  814    HH2  TRP 106           HH2      TRP 106   2.742  -0.215   9.854
  815    H    ALA 107           H        ALA 107  -0.581   1.787  15.705
  816    HA   ALA 107           HA       ALA 107  -0.323   3.398  13.274
  817   1HB   ALA 107          2HB       ALA 107  -1.467   1.200  13.198
  818   2HB   ALA 107          3HB       ALA 107  -2.671   1.790  14.377
  819   3HB   ALA 107          1HB       ALA 107  -2.558   2.536  12.772
  820    H    ARG 108           H        ARG 108  -1.565   5.090  12.787
  821    HA   ARG 108           HA       ARG 108  -2.939   6.685  14.885
  822   1HB   ARG 108          1HB       ARG 108  -0.759   7.518  14.259
  823   2HB   ARG 108          2HB       ARG 108  -1.080   7.243  12.560
  824   1HG   ARG 108          1HG       ARG 108  -2.601   9.168  12.468
  825   2HG   ARG 108          2HG       ARG 108  -2.210   9.527  14.182
  826   1HD   ARG 108          1HD       ARG 108   0.166   9.625  13.666
  827   2HD   ARG 108          2HD       ARG 108  -0.093   9.058  12.012
  828    HE   ARG 108           HE       ARG 108  -1.377  11.233  11.654
  829   1HH1  ARG 108          2HH2      ARG 108   1.697  10.676  13.287
  830   2HH1  ARG 108          1HH2      ARG 108   2.436  12.132  12.744
  831   1HH2  ARG 108          2HH1      ARG 108  -0.594  13.269  11.178
  832   2HH2  ARG 108          1HH1      ARG 108   0.950  13.826  11.717
  833    H    ALA 109           H        ALA 109  -3.110   5.235  11.730
  834    HA   ALA 109           HA       ALA 109  -5.933   5.679  11.391
  835   1HB   ALA 109          1HB       ALA 109  -4.029   7.607  10.153
  836   2HB   ALA 109          2HB       ALA 109  -5.095   6.816   8.983
  837   3HB   ALA 109          3HB       ALA 109  -5.767   7.714  10.355
  838    H    ALA 110           H        ALA 110  -6.664   4.679   9.360
  839    HA   ALA 110           HA       ALA 110  -4.922   2.492   8.365
  840   1HB   ALA 110          1HB       ALA 110  -7.958   2.853   8.496
  841   2HB   ALA 110          2HB       ALA 110  -7.169   1.628   7.521
  842   3HB   ALA 110          3HB       ALA 110  -6.967   1.597   9.275
  843    H    LEU 111           H        LEU 111  -3.924   3.191   6.568
  844    HA   LEU 111           HA       LEU 111  -5.062   5.264   4.762
  845   1HB   LEU 111          1HB       LEU 111  -2.689   5.382   5.258
  846   2HB   LEU 111          2HB       LEU 111  -2.456   3.693   4.945
  847    HG   LEU 111           HG       LEU 111  -2.762   3.978   2.561
  848   1HD1  LEU 111          1HD1      LEU 111  -3.437   6.889   3.170
  849   2HD1  LEU 111          2HD1      LEU 111  -3.060   6.247   1.564
  850   3HD1  LEU 111          3HD1      LEU 111  -4.499   5.675   2.420
  851   1HD2  LEU 111          2HD2      LEU 111  -0.530   4.459   3.514
  852   2HD2  LEU 111          3HD2      LEU 111  -0.846   5.431   2.068
  853   3HD2  LEU 111          1HD2      LEU 111  -0.965   6.175   3.670
  854    H    VAL 112           H        VAL 112  -6.856   4.318   3.912
  855    HA   VAL 112           HA       VAL 112  -6.859   1.553   2.952
  856    HB   VAL 112           HB       VAL 112  -8.954   3.748   2.564
  857   1HG1  VAL 112          2HG1      VAL 112  -9.100   0.711   2.542
  858   2HG1  VAL 112          3HG1      VAL 112 -10.489   1.811   2.417
  859   3HG1  VAL 112          1HG1      VAL 112  -9.257   1.794   1.143
  860   1HG2  VAL 112          2HG2      VAL 112  -8.656   1.848   4.923
  861   2HG2  VAL 112          3HG2      VAL 112  -8.637   3.620   4.969
  862   3HG2  VAL 112          1HG2      VAL 112 -10.125   2.797   4.552
  863    H    ILE 113           H        ILE 113  -6.422   1.062   0.783
  864    HA   ILE 113           HA       ILE 113  -6.300   3.350  -1.112
  865    HB   ILE 113           HB       ILE 113  -4.381   0.987  -1.014
  866   1HG1  ILE 113          1HG1      ILE 113  -3.880   3.983  -0.621
  867   2HG1  ILE 113          2HG1      ILE 113  -3.935   2.801   0.681
  868   1HG2  ILE 113          1HG2      ILE 113  -5.002   1.656  -3.344
  869   2HG2  ILE 113          2HG2      ILE 113  -4.559   3.329  -2.977
  870   3HG2  ILE 113          3HG2      ILE 113  -3.325   2.049  -2.996
  871   1HD1  ILE 113          1HD1      ILE 113  -1.996   1.610  -0.268
  872   2HD1  ILE 113          2HD1      ILE 113  -1.848   2.875  -1.518
  873   3HD1  ILE 113          3HD1      ILE 113  -1.656   3.288   0.190
  874    H    THR 114           H        THR 114  -7.588   3.040  -2.808
  875    HA   THR 114           HA       THR 114  -8.861   0.380  -3.226
  876    HB   THR 114           HB       THR 114 -10.003   3.117  -3.904
  877    HG1  THR 114           HG1      THR 114  -9.934   2.859  -1.725
  878   1HG2  THR 114          2HG2      THR 114 -11.257   0.324  -3.849
  879   2HG2  THR 114          3HG2      THR 114 -12.097   1.848  -4.225
  880   3HG2  THR 114          1HG2      THR 114 -10.837   1.245  -5.310
  881    H    VAL 115           H        VAL 115  -7.251  -0.401  -4.472
  882    HA   VAL 115           HA       VAL 115  -5.837   1.027  -6.503
  883    HB   VAL 115           HB       VAL 115  -6.186  -1.852  -5.673
  884   1HG1  VAL 115          1HG1      VAL 115  -4.722  -0.950  -8.172
  885   2HG1  VAL 115          2HG1      VAL 115  -4.460  -2.499  -7.355
  886   3HG1  VAL 115          3HG1      VAL 115  -6.038  -2.135  -8.052
  887   1HG2  VAL 115          3HG2      VAL 115  -3.825   0.058  -5.805
  888   2HG2  VAL 115          1HG2      VAL 115  -4.714  -0.449  -4.349
  889   3HG2  VAL 115          2HG2      VAL 115  -3.765  -1.625  -5.254
  890    H    VAL 116           H        VAL 116  -5.971   0.710  -8.801
  891    HA   VAL 116           HA       VAL 116  -8.667   0.055  -9.839
  892    HB   VAL 116           HB       VAL 116  -6.821   2.35