*HEADER   ELECTRON TRANSPORT                      18-MAR-91   9PCY    
*COMPND   PLASTOCYANIN (REDUCED FORM) (NMR, 16 STRUCTURES)            
*SOURCE   FRENCH BEAN (PHASEOLUS VULGARIS)                            
*AUTHOR   J.M.MOORE,C.A.LEPRE,G.P.GIPPERT,W.J.CHAZIN,D.A.CASE,        
*AUTHOR  2 P.E.WRIGHT                                                 
*REVDAT  1   31-OCT-93 9PCY    0                                      

REMARK   2
REMARK   3
REMARK   3 FRENCH BEAN PC NMR RESTRAINTS USED IN STRUCTURE DETERMINATION.
REMARK   3 COMPLETE LIST OF HYDROGEN-BOND, NOE AND DIHEDRAL ANGLE 
REMARK   3 CONSTRAINTS.
REMARK   3
REMARK   3   HYDROGEN BONDS--                                                   
REMARK   3   21 HYDROGEN BOND DISTANCE CONSTRAINTS WERE USED FOR                
REMARK   3   *DISGEO* CALCULATIONS. NO HYDROGEN BOND CONSTRAINTS WERE           
REMARK   3   USED FOR *AMBER* RESTRAINED ENERGY MINIMIZATION OR                 
REMARK   3   DYNAMICS CALCULATIONS.                                             
REMARK   3                                                                      
REMARK   3                                   DISTANCE BOUNDS (A)                                
REMARK   3       DONOR         ACCEPTOR        LOWER    UPPER                                   
REMARK   3      ------------------------------------------------
REMARK   3         H              O             1.8     2.0                                     
REMARK   3         N              O             2.7     3.0                                   
REMARK   3                                                                      
REMARK   3    	 DONOR         ACCEPTOR                                         
REMARK   3    	---------------------------                                      
REMARK   3        3 VAL         28 VAL
REMARK   3        4 LEU         15 VAL
REMARK   3        5 LEU         30 LYS
REMARK   3        6 GLY         13 VAL
REMARK   3       15 VAL          4 LEU
REMARK   3       19 PHE         95 LYS
REMARK   3       27 ILE         72 VAL
REMARK   3       29 PHE         70 TYR
REMARK   3       30 LYS          3 VAL
REMARK   3       40 VAL         83 TYR
REMARK   3       63 LEU         37 HIS
REMARK   3       70 TYR         29 PHE
REMARK   3       72 VAL         27 ILE
REMARK   3       80 TYR         96 VAL
REMARK   3       82 PHE         94 GLY
REMARK   3       83 TYR         40 VAL
REMARK   3       94 GLY         82 PHE
REMARK   3       95 LYS         17 SER
REMARK   3       96 VAL         80 TYR
REMARK   3       97 THR         19 PHE
REMARK   3       98 VAL         78 GLY
REMARK   3                                                                      
REMARK   3   DIHEDRAL ANGLE CONSTRAINTS--                                       
REMARK   3   PHI DIHEDRAL ANGLE CONSTRAINTS ARE DERIVED FROM MEASURED
REMARK   3   3JHNA SCALAR COUPLING CONSTANTS.
REMARK   3   
REMARK   3   CHI1 DIHEDRAL ANGLE CONSTRAINTS ARE DERIVED FROM MEASURED
REMARK   3   3JAB SCALAR COUPLING CONSTANTS AND INTRA-RESIDUE AND
REMARK   3   SEQUENTIAL NOES.
REMARK   3
REMARK   3   BOTH *DISGEO* AND *AMBER* CALCULATIONS UTILIZE THESE
REMARK   3   DIHEDRAL ANGLE CONSTRAINTS, THOUGH FOR *DISGEO* THE
REMARK   3   PHI CONSTRAINTS GIVEN BELOW AS -90 < PHI < 40 ARE GIVEN
REMARK   3   A MORE RESTRICTIVE RANGE -90 < PHI < -40. SEE REFERENCE
REMARK   3   2 FOR MORE DETAILS.
REMARK   3
REMARK   3   DIHEDRAL CONSTRAINTS USED FOR FINAL STRUCTURE REFINEMENT
REMARK   3   - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
REMARK   3     1 LEU                       -240 < CHI1 <    0;
REMARK   3     2 GLU    -160 < PHI  < -80;
REMARK   3     3 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3     4 LEU    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3     5 LEU    -160 < PHI  < -80; -240 < CHI1 <    0;
REMARK   3     7 SER    -160 < PHI  < -80;    0 < CHI1 <  120;
REMARK   3     9 ASP    -160 < PHI  < -80;    0 < CHI1 <  120;
REMARK   3    11 SER     -90 < PHI  <  40; -240 < CHI1 < -120;
REMARK   3    12 LEU                       -120 < CHI1 <    0;
REMARK   3    13 VAL    -160 < PHI  < -80;
REMARK   3    14 PHE    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    15 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    18 GLU    -160 < PHI  < -80;
REMARK   3    19 PHE                          0 < CHI1 <  120;
REMARK   3    20 SER    -160 < PHI  < -80;
REMARK   3    21 VAL    -160 < PHI  < -80; -120 < CHI1 <  120;
REMARK   3    23 SER     -90 < PHI  <  40;
REMARK   3    25 GLU                       -240 < CHI1 <    0;
REMARK   3    26 LYS     -90 < PHI  <  40;
REMARK   3    27 ILE    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    28 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    29 PHE    -160 < PHI  < -80; -240 < CHI1 <    0;
REMARK   3    30 LYS    -160 < PHI  < -80;
REMARK   3    31 ASN     -90 < PHI  <  40;
REMARK   3    32 ASN    -160 < PHI  < -80; -240 < CHI1 <    0;
REMARK   3    37 HIS    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    38 ASN                          0 < CHI1 <  120;
REMARK   3    39 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    40 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    42 ASP                       -240 < CHI1 < -120;
REMARK   3    43 GLU     -90 < PHI  <  40;    0 < CHI1 <  120;
REMARK   3    44 ASP                       -240 < CHI1 <    0;
REMARK   3    45 GLU    -160 < PHI  < -80;
REMARK   3    46 ILE    -160 < PHI  < -80;
REMARK   3    48 ALA     -90 < PHI  <  40;
REMARK   3    50 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    51 ASP                       -240 < CHI1 < -120;
REMARK   3    52 ALA     -90 < PHI  <  40;
REMARK   3    53 VAL                       -240 < CHI1 < -120;
REMARK   3    55 ILE    -160 < PHI  < -80;   40 < CHI1 <  200;
REMARK   3    56 SER    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    59 GLU     -90 < PHI  <  40; -240 < CHI1 < -120;
REMARK   3    61 GLU    -160 < PHI  < -80;
REMARK   3    62 LEU    -160 < PHI  < -80;
REMARK   3    63 LEU    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    64 ASN    -160 < PHI  < -80;
REMARK   3    65 ALA    -160 < PHI  < -80;
REMARK   3    68 GLU     -90 < PHI  <  40;
REMARK   3    69 THR    -160 < PHI  < -80;    0 < CHI1 <  120;
REMARK   3    70 TYR    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    71 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    72 VAL    -160 < PHI  < -80;    0 < CHI1 <  120;
REMARK   3    73 THR    -160 < PHI  < -80;
REMARK   3    74 LEU    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    76 THR    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    79 THR    -160 < PHI  < -80;
REMARK   3    80 TYR    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    81 SER    -160 < PHI  < -80;
REMARK   3    82 PHE    -160 < PHI  < -80;    0 < CHI1 <  120;
REMARK   3    84 CYS    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    87 HIS    -160 < PHI  < -80; -240 < CHI1 <    0;
REMARK   3    88 GLN     -90 < PHI  <  40;
REMARK   3    92 MET     -90 < PHI  <  40;
REMARK   3    93 VAL    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    96 VAL    -160 < PHI  < -80;
REMARK   3    97 THR    -160 < PHI  < -80; -120 < CHI1 <    0;
REMARK   3    98 VAL    -160 < PHI  < -80; -240 < CHI1 < -120;
REMARK   3    99 ASN    -160 < PHI  < -80;
REMARK   3                                                                      
REMARK   3 NOE DERIVED DISTANCE UPPER BOUND CONSTRAINTS--                       
REMARK   3 ALL EXPERIMENTALLY-DERIVED NOE DISTANCE UPPER-BOUNDS USED FOR
REMARK   3 FRB PC STRUCTURE CALCULATIONS ARE GIVEN BELOW. DISTANCE
REMARK   3 CONSTRAINTS ARE DERIVED FROM THESE DISTANCE BOUNDS DIFFERENTLY
REMARK   3 FOR *DISGEO* AND *AMBER CALCULATIONS. CONSTRAINTS EXACTLY AS
REMARK   3 WOULD BE USED FOR *DISGEO* AND *AMBER* CALCULATIONS MAY BE
REMARK   3 OBTAINED VIA EMAIL FROM THE AUTHORS: GARRY@SCRIPPS.EDU OR
REMARK   3 CASE@SCRIPPS.EDU.
REMARK   3                                                                      
REMARK   3   *DISGEO*-  A MIXED PSEUDO-ATOM/ALL-ATOM REPRESENTATION WAS
REMARK   3     USED IN WHICH ALL BETA METHYLENES, GLY ALPHA METHYLENES
REMARK   3     PRO DELTA METHYLENES AND ILE GAMMA METHYLENES ARE
REMARK   3     REPRESENTED BY BOTH PROTON AND PSEUDO-ATOM POINTS.
REMARK   3     ALL OTHER ATOMIC NOMENCLATURE AND PSEUDO-ATOM CORRECTIONS
REMARK   3     ARE TAKEN FROM WUETHRICH, BILLETER AND BRAUN, J.MOL.BIOL.          
REMARK   3     (1983) 169, 949.  
REMARK   3
REMARK   3   *AMBER*- ALL-ATOM STRUCTURES WERE USED.  (R**-6) DISTANCE          
REMARK   3     WEIGHTING WAS USED FOR ALL NON-STEREO-SPECIFICALLY               
REMARK   3     ASSIGNED CHEMICALLY DEGENERATE PROTONS, INCLUDING                
REMARK   3     METHYL GROUPS.  AMBIGUOUS NOE CONSTRAINTS TO CHEMICAL-SHIFT
REMARK   3     DEGENERATE VAL AND LEU METHYLS, OR WHERE ONLY ONE OF
REMARK   3     THE TWO METHYLS IS OBSERVED TO EXHIBIT AN NOE,
REMARK   3     ARE REFERRED TO COMMON CB OR CG ATOMS, RESPECTIVELY,             
REMARK   3     WITH A 2.2 ANGSTROMS CORRECTION.
REMARK   3                                                                      
REMARK   3   NOE DISTANCE BOUND NOMENCLATURE-                                                  
REMARK   3     ATOM 1   ATOM 2   BOUND   CHEMSHIFT 1  CHEMSHIFT 2
REMARK   3     UNIQUE PROTON & PSEUDOATOM NAMES ARE USED WHERE AVAILABLE
REMARK   3     I.E., WHERE UNIQUE PROTONS EXIST IN THE PROTEIN AND WHERE
REMARK   3     STEREO-CHEMICAL ASSIGNMENTS HAVE BEEN MADE. BOUNDS THAT
REMARK   3     CANNOT BE DISTINGUISHED DUE TO CHEMICAL SHIFT DEGENERACY OR
REMARK   3     NEAR-DEGENERACY ARE GIVEN ATOM NAMES BEGINNING WITH Q.
REMARK   3     (A COMPLETE LIST OF STEREO-ASSIGNMENTS MADE FOR FRENCH BEAN
REMARK   3     PC IS GIVEN IN THE JRNL ENTRY. ALL OTHER ASSIGNMENTS ARE
REMARK   3     GIVEN IN REFERENCE 1.) THE DISTANCE BOUND IS GIVEN IN
REMARK   3     ANGSTROM UNITS.  CHEMICAL SHIFTS ARE GIVEN IN PPM. NEAR-
REMARK   3     DEGENERATE CHEMICAL SHIFTS ARE SEPARATED BY A "|" SYMBOL.
REMARK   3
REMARK   3     AS NOTED IN THE JRNL PAPER, THE 8PCY STRUCTURES REPORTED
REMARK   3     WERE COMPUTED WITH THE INCORRECT (REVERSE) STEREO-CHEMICAL
REMARK   3     ASSIGNMENT OF THE 82 PHE BETA PROTONS. THE ERROR HAS BEEN
REMARK   3     CORRECTED IN THE NOE BOUNDS GIVEN HERE. INCLUDED HERE ARE
REMARK   3     ADDITIONAL STEREO-CHEMICAL ASSIGNMENTS FOR BETA PROTONS OF
REMARK   3     5 LEU, 32 ASN AND 87 HIS THAT WERE MADE AFTER STRUCTURE
REMARK   3     CALCULATIONS. 22 PRO BETA PROTON STEREO-CHEMICAL ASSIGNMENTS
REMARK   3     ARE ALSO INCLUDED IN THIS NOE LIST.
REMARK   3                                                                      
REMARK   3       ATOM 1          ATOM 2       DIST  CHEM   CHEM
REMARK   3                                    BND   SHF 1  SHF 2
REMARK   3    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 
REMARK   3      1 LEU  HA       1 LEU  HB     3.5   3.84   1.70
REMARK   3      1 LEU  HA       1 LEU  MD     4.0   3.84   0.75
REMARK   3      1 LEU  HA       1 LEU  MD     5.0   3.84   0.28
REMARK   3      2 GLU  HA       3 VAL  MG2    5.0   5.04  -0.13
REMARK   3      2 GLU  HA      28 VAL  HB     3.0   5.04   1.95
REMARK   3      2 GLU  H        1 LEU  HA     3.0   8.58   3.84
REMARK   3      2 GLU  H        1 LEU  HB     4.0   8.58   1.70
REMARK   3      2 GLU  H        1 LEU  HB     4.0   8.58   1.31
REMARK   3      2 GLU  H        1 LEU  MD     4.0   8.58   0.75
REMARK   3      2 GLU  H        1 LEU  MD     5.0   8.58   0.28
REMARK   3      2 GLU  H        2 GLU QHB     3.5   8.58   1.85
REMARK   3      3 VAL  HA       1 LEU  MD     5.0   4.29   0.28
REMARK   3      3 VAL  HA       3 VAL  MG1    3.5   4.29   1.11
REMARK   3      3 VAL  HA       3 VAL  MG2    3.5   4.29  -0.13
REMARK   3      3 VAL  H        2 GLU  HA     2.7   9.08   5.04
REMARK   3      3 VAL  H        2 GLU QHB     4.0   9.08   1.85
REMARK   3      3 VAL  H        2 GLU QHG     4.0   9.08   2.08
REMARK   3      3 VAL  H        3 VAL  HB     3.5   9.08   1.39
REMARK   3      3 VAL  H        3 VAL  MG1    4.0   9.08   1.11
REMARK   3      3 VAL  H        3 VAL  MG2    4.0   9.08  -0.13
REMARK   3      3 VAL  H       28 VAL  HB     4.0   9.08   1.95
REMARK   3      3 VAL  H       28 VAL  H      3.5   9.08   8.38
REMARK   3      3 VAL  H       29 PHE  HA     4.3   9.08   5.17
REMARK   3      4 LEU  HA       4 LEU  MD     3.0   4.89   0.79
REMARK   3      4 LEU  HA      30 LYS  HB     5.0   4.89   1.73
REMARK   3      4 LEU  H        3 VAL  HA     2.4   8.99   4.29
REMARK   3      4 LEU  H        3 VAL  MG1    4.0   8.99   1.11
REMARK   3      4 LEU  H        3 VAL  MG2    5.0   8.99  -0.13
REMARK   3      4 LEU  H        4 LEU 1HB     4.0   8.99   1.94
REMARK   3      4 LEU  H        4 LEU  HG     3.5   8.99   1.94
REMARK   3      4 LEU  H        4 LEU  MD     5.0   8.99   0.90
REMARK   3      4 LEU  H        4 LEU  MD     5.0   8.99   0.79
REMARK   3      4 LEU  H       15 VAL  HB     4.0   8.99   2.24
REMARK   3      5 LEU  HA       5 LEU  MD     4.0   4.04   0.75
REMARK   3      5 LEU  HA      92 MET  ME     4.0   4.04   0.54
REMARK   3      5 LEU  H        4 LEU  HA     3.0   8.62   4.89
REMARK   3      5 LEU  H        4 LEU 2HB     5.0   8.62   1.39
REMARK   3      5 LEU  H        5 LEU  HG     4.0   8.62   1.50
REMARK   3      5 LEU  H        5 LEU  MD     5.0   8.62   0.87
REMARK   3      5 LEU  H        5 LEU  MD     5.0   8.62   0.75
REMARK   3      6 GLY  HA      33 ALA  MB     4.0   5.26   1.30
REMARK   3      6 GLY  H        5 LEU  HA     2.4   8.10   4.04
REMARK   3      6 GLY  H       13 VAL  H      4.3   8.10   7.06
REMARK   3      6 GLY  H       92 MET  ME     4.0   8.10   0.54
REMARK   3      7 SER  HA       7 SER 1HB     3.0   4.57   3.97
REMARK   3      7 SER  HA       7 SER 2HB     3.0   4.57   3.70
REMARK   3      7 SER  HA      13 VAL  MG     5.0   4.57   0.58
REMARK   3      7 SER 1HB      13 VAL  MG     4.0   3.97   0.58
REMARK   3      7 SER 2HB      13 VAL  MG     4.0   3.70   0.58
REMARK   3      7 SER 2HB      15 VAL  MG2    4.0   3.70   0.78
REMARK   3      7 SER  H        6 GLY  HA     3.5   8.18   5.26
REMARK   3      7 SER  H        6 GLY  HA     2.7   8.18   3.99
REMARK   3      7 SER  H        7 SER 2HB     4.0   8.18   3.70
REMARK   3      7 SER  H       13 VAL  H      4.3   8.18   7.06
REMARK   3      7 SER  H       33 ALA  MB     5.0   8.18   1.30
REMARK   3      8 GLY  HA      33 ALA  MB     5.0   3.98   1.30
REMARK   3      8 GLY  HA      33 ALA  MB     5.0   3.79   1.30
REMARK   3      8 GLY  H        4 LEU  MD     5.0   8.94   0.79
REMARK   3      8 GLY  H        7 SER  HA     3.5   8.94   4.57
REMARK   3      8 GLY  H        7 SER 2HB     4.3   8.94   3.70
REMARK   3      8 GLY  H        7 SER  H      4.3   8.94   8.18
REMARK   3      8 GLY  H        9 ASP  H      3.5   8.94   7.88
REMARK   3      9 ASP  HA       9 ASP  HB     3.5   4.61   2.96
REMARK   3      9 ASP  HA       9 ASP  HB     4.0   4.61   2.57
REMARK   3      9 ASP  H        8 GLY  HA     3.5   7.88   3.98
REMARK   3      9 ASP  H        8 GLY  HA     4.3   7.88   3.79
REMARK   3      9 ASP  H        9 ASP  HB     4.0   7.88   2.96
REMARK   3      9 ASP  H        9 ASP  HB     4.0   7.88   2.57
REMARK   3     10 GLY  HA      33 ALA  MB     4.0   3.34   1.30
REMARK   3     10 GLY  H        8 GLY  HA     4.3   8.14   3.98
REMARK   3     10 GLY  H        8 GLY  HA     4.3   8.14   3.79
REMARK   3     10 GLY  H        9 ASP  H      3.5   8.14   7.88
REMARK   3     10 GLY  H       11 SER  H      3.0   8.14   7.92
REMARK   3     10 GLY  H       33 ALA  MB     4.0   8.14   1.30
REMARK   3     11 SER 1HB      13 VAL  MG     4.0   3.74   0.58
REMARK   3     11 SER  H       10 GLY  HA     5.0   7.92   4.22
REMARK   3     11 SER  H       10 GLY  HA     3.5   7.92   3.34
REMARK   3     11 SER  H       11 SER 1HB     4.0   7.92   3.74 
REMARK   3     11 SER  H       11 SER 2HB     4.0   7.92   3.96
REMARK   3     12 LEU  HA      12 LEU 2HB     3.5   4.18   1.00
REMARK   3     12 LEU  HA      12 LEU  MD     3.0   4.18   0.35
REMARK   3     12 LEU  HA      92 MET  ME     4.0   4.18   0.54
REMARK   3     12 LEU  H       11 SER  HA     2.4   8.64   4.29
REMARK   3     12 LEU  H       11 SER 1HB     4.0   8.64   3.74 
REMARK   3     12 LEU  H       12 LEU 1HB     3.5   8.64   1.75 
REMARK   3     12 LEU  H       12 LEU 2HB     3.5   8.64   1.00
REMARK   3     12 LEU  H       12 LEU  HG     3.5   8.64   1.60
REMARK   3     12 LEU  H       12 LEU  MD     5.0   8.64   0.56
REMARK   3     12 LEU  H       12 LEU  MD     5.0   8.64   0.35
REMARK   3     13 VAL  HA      12 LEU 1HB     5.0   4.87   1.75 
REMARK   3     13 VAL  HA      13 VAL  MG     3.0   4.87   0.90
REMARK   3     13 VAL  HA      13 VAL  MG     4.0   4.87   0.58
REMARK   3     13 VAL  H       12 LEU  HA     2.4   7.06   4.18
REMARK   3     13 VAL  H       12 LEU  MD     5.0   7.06   0.35
REMARK   3     13 VAL  H       13 VAL  MG     4.0   7.06   0.90
REMARK   3     13 VAL  H       13 VAL  MG     3.0   7.06   0.58
REMARK   3     14 PHE  HA       3 VAL  MG1    4.0   4.98   1.11
REMARK   3     14 PHE  HA       5 LEU  HA     3.5   4.98   4.04
REMARK   3     14 PHE  HA      14 PHE 2HB     3.5   4.98   3.20
REMARK   3     14 PHE  HA      15 VAL  MG2    5.0   4.98   0.78
REMARK   3     14 PHE  HA      92 MET  ME     5.0   4.98   0.54
REMARK   3     14 PHE 2HB       3 VAL  MG1    4.0   3.20   1.11
REMARK   3     14 PHE  HD       3 VAL  MG1    3.5   7.16   1.11
REMARK   3     14 PHE  HD       3 VAL  MG2    5.0   7.16  -0.13
REMARK   3     14 PHE  HD       5 LEU  HG     5.0   7.16   1.50
REMARK   3     14 PHE  HD       5 LEU  MD     3.5   7.16   0.75
REMARK   3     14 PHE  HD      13 VAL  HA     5.0   7.16   4.87 
REMARK   3     14 PHE  HD      14 PHE  HA     4.0   7.16   4.98
REMARK   3     14 PHE  HD      29 PHE  HE     4.0   7.16   6.73
REMARK   3     14 PHE  HD      39 VAL  MG1    5.0   7.16  -0.32
REMARK   3     14 PHE  HD      39 VAL  MG2    4.0   7.16   0.17
REMARK   3     14 PHE  HD      82 PHE  HE     4.0   7.16   5.77
REMARK   3     14 PHE  HD      83 TYR  HA     5.0   7.16   5.30 
REMARK   3     14 PHE  HD      92 MET  HG     4.0   7.16   2.23
REMARK   3     14 PHE  HD      93 VAL  HA     5.0   7.16   5.18
REMARK   3     14 PHE  HD      94 GLY  HA     5.0   7.16   2.99
REMARK   3     14 PHE  HE       3 VAL  MG1    5.0   7.06   1.11
REMARK   3     14 PHE  HE       5 LEU  HG     5.0   7.06   1.50
REMARK   3     14 PHE  HE       5 LEU  MD     3.5   7.06   0.75
REMARK   3     14 PHE  HE      39 VAL  MG1    5.0   7.06  -0.32
REMARK   3     14 PHE  HE      39 VAL  MG2    3.5   7.06   0.17
REMARK   3     14 PHE  HE      83 TYR  HA     4.0   7.06   5.30 
REMARK   3     14 PHE  HE      92 MET  HG     4.0   7.06   2.23
REMARK   3     14 PHE  HE      92 MET  ME     4.0   7.06   0.54
REMARK   3     14 PHE  HE      93 VAL  HA     4.0   7.06   5.18
REMARK   3     14 PHE  H       13 VAL  HA     3.5   8.92   4.87 
REMARK   3     14 PHE  H       13 VAL  HB     3.5   8.92   2.27
REMARK   3     14 PHE  H       13 VAL  MG     5.0   8.92   0.90
REMARK   3     14 PHE  H       13 VAL  MG     5.0   8.92   0.58
REMARK   3     14 PHE  H       14 PHE 1HB     4.0   8.92   2.67 
REMARK   3     14 PHE  H       14 PHE 2HB     5.0   8.92   3.20
REMARK   3     14 PHE  H       14 PHE  HD     3.5   8.92   7.16
REMARK   3     14 PHE  HZ      39 VAL  HA     5.0   7.17   4.11
REMARK   3     14 PHE  HZ      39 VAL  MG1    5.0   7.17  -0.32
REMARK   3     14 PHE  HZ      82 PHE  HD     4.0   7.17   6.28
REMARK   3     15 VAL  HA      15 VAL  MG1    3.0   4.54   0.95
REMARK   3     15 VAL  HA      15 VAL  MG2    3.5   4.54   0.78
REMARK   3     15 VAL  HA      16 PRO 1HB     5.0   4.54   2.32
REMARK   3     15 VAL  HA      16 PRO 2HB     5.0   4.54   2.63
REMARK   3     15 VAL  H       14 PHE  HA     3.0   9.08   4.98
REMARK   3     15 VAL  H       14 PHE 2HB     5.0   9.08   3.20
REMARK   3     15 VAL  H       14 PHE  HD     5.0   9.08   7.16
REMARK   3     15 VAL  H       15 VAL  MG2    4.0   9.08   0.78
REMARK   3     16 PRO  HA      15 VAL  HA     2.4   5.08   4.54
REMARK   3     16 PRO  HA      15 VAL  MG1    3.5   5.08   0.95
REMARK   3     16 PRO 2HB      16 PRO  HG     4.0   2.63   1.91
REMARK   3     16 PRO  HD       1 LEU  MD     5.0   3.62   0.28
REMARK   3     16 PRO  HD       3 VAL  MG1    4.0   3.62   1.11
REMARK   3     16 PRO  HD       3 VAL  MG2    4.0   3.62  -0.13
REMARK   3     16 PRO  HD       1 LEU  MD     5.0   3.54   0.28
REMARK   3     16 PRO  HD       3 VAL  MG1    5.0   3.54   1.11
REMARK   3     16 PRO  HD       3 VAL  MG2    5.0   3.54  -0.13
REMARK   3     16 PRO  HD      15 VAL  MG1    5.0   3.54   0.95
REMARK   3     17 SER  HB      14 PHE 1HB     5.0   4.43   2.67 
REMARK   3     17 SER  H       16 PRO  HA     3.0   8.19   5.08
REMARK   3     17 SER  H       16 PRO 1HB     4.0   8.19   2.32
REMARK   3     17 SER  H       16 PRO 2HB     4.0   8.19   2.63
REMARK   3     17 SER  H       18 GLU  H      2.7   8.19   7.58
REMARK   3     17 SER  H       19 PHE  HD     5.0   8.19   6.73
REMARK   3     18 GLU  HA      18 GLU  HB     3.5   5.63   1.97
REMARK   3     18 GLU  HA      18 GLU  HG     4.0   5.63   2.27
REMARK   3     18 GLU  HA      18 GLU  HG     4.0   5.63   2.19
REMARK   3     18 GLU  HA      95 LYS QHB     4.0   5.63   1.57 
REMARK   3     18 GLU  HA      95 LYS QHG     5.0   5.63   1.32
REMARK   3     18 GLU  HA      96 VAL  HA     4.3   5.63   4.91
REMARK   3     18 GLU  H       16 PRO 1HB     4.0   7.58   2.32
REMARK   3     18 GLU  H       16 PRO 2HB     5.0   7.58   2.63
REMARK   3     18 GLU  H       18 GLU  HB     5.0   7.58   2.02
REMARK   3     18 GLU  H       18 GLU  HB     3.5   7.58   1.97
REMARK   3     19 PHE  HA      19 PHE 1HB     3.0   5.08   3.11 
REMARK   3     19 PHE  HA      19 PHE 2HB     3.0   5.08   3.26
REMARK   3     19 PHE 1HB       1 LEU  MD     5.0   3.11   0.28
REMARK   3     19 PHE 2HB       1 LEU  MD     5.0   3.26   0.28
REMARK   3     19 PHE  HD       1 LEU  MD     3.5   6.73   0.75
REMARK   3     19 PHE  HD       1 LEU  MD     3.5   6.73   0.28
REMARK   3     19 PHE  HD      16 PRO 1HB     5.0   6.73   2.32
REMARK   3     19 PHE  HD      16 PRO 2HB     5.0   6.73   2.63
REMARK   3     19 PHE  HD      16 PRO  HD     5.0   6.73   3.62
REMARK   3     19 PHE  HD      16 PRO  HG     5.0   6.73   1.91
REMARK   3     19 PHE  HD      16 PRO  HG     3.5   6.73   1.62
REMARK   3     19 PHE  HD      18 GLU  HA     5.0   6.73   5.63
REMARK   3     19 PHE  HD      96 VAL  HA     5.0   6.73   4.91
REMARK   3     19 PHE  HD      96 VAL  HB     4.0   6.73   1.31
REMARK   3     19 PHE  HD      96 VAL  MG2    3.5   6.73   0.60
REMARK   3     19 PHE  HE       1 LEU  MD     4.0   7.03   0.28
REMARK   3     19 PHE  HE       3 VAL  MG1    4.0   7.03   1.11
REMARK   3     19 PHE  HE       3 VAL  MG2    4.0   7.03  -0.13
REMARK   3     19 PHE  HE      27 ILE  HG     5.0   7.03   1.80
REMARK   3     19 PHE  HE      27 ILE  MD     3.5   7.03   0.81
REMARK   3     19 PHE  HE      27 ILE  MG     3.5   7.03  -0.07
REMARK   3     19 PHE  HE      82 PHE  HZ     4.0   7.03   6.93
REMARK   3     19 PHE  HE      96 VAL  HA     5.0   7.03   4.91
REMARK   3     19 PHE  HE      96 VAL  HB     3.5   7.03   1.31
REMARK   3     19 PHE  HE      96 VAL  MG2    3.5   7.03   0.60
REMARK   3     19 PHE  H       18 GLU  HA     2.4   7.81   5.63
REMARK   3     19 PHE  H       18 GLU  HB     4.0   7.81   1.97
REMARK   3     19 PHE  H       18 GLU  HG     4.0   7.81   2.19
REMARK   3     19 PHE  H       19 PHE  HD     4.0   7.81   6.73
REMARK   3     19 PHE  H       96 VAL  HA     3.5   7.81   4.91
REMARK   3     20 SER  HA      20 SER  HB     3.0   5.94   3.75
REMARK   3     20 SER  HA      96 VAL  HA     4.3   5.94   4.91
REMARK   3     20 SER  HA      96 VAL  MG2    3.5   5.94   0.60
REMARK   3     20 SER  HA      97 THR  HB     4.0   5.94   3.93
REMARK   3     20 SER  HA      97 THR  MG     5.0   5.94   1.08
REMARK   3     20 SER  H       19 PHE  HA     2.7   8.62   5.08
REMARK   3     20 SER  H       19 PHE 1HB     3.5   8.62   3.11 
REMARK   3     20 SER  H       19 PHE 2HB     4.0   8.62   3.26
REMARK   3     20 SER  H       19 PHE  HD     4.0   8.62   6.73
REMARK   3     20 SER  H       20 SER  HB     4.0   8.62   3.75
REMARK   3     21 VAL  HA      21 VAL  MG     3.0   4.90   0.98
REMARK   3     21 VAL  HA      22 PRO QHD     2.4   4.90   3.73
REMARK   3     21 VAL  H       20 SER  HA     2.4   8.86   5.94
REMARK   3     21 VAL  H       20 SER  HB     3.5   8.86   3.75
REMARK   3     21 VAL  H       21 VAL  MG     4.0   8.86   0.98
REMARK   3     21 VAL  H       21 VAL  MG     4.0   8.86   0.83
REMARK   3     21 VAL  H       96 VAL  MG2    5.0   8.86   0.60
REMARK   3     21 VAL  H       98 VAL  HA     3.5   8.86   5.04
REMARK   3     21 VAL  H       98 VAL QMG     5.0   8.86   0.73|0.74
REMARK   3     22 PRO  HA      22 PRO  HG     4.0   4.87   1.99
REMARK   3     22 PRO  HA      99 ASN  HB     5.0   4.87   2.71
REMARK   3     22 PRO QHD      21 VAL  MG     4.0   3.73   0.98
REMARK   3     23 SER  H       22 PRO  HA     3.5   8.56   4.87
REMARK   3     23 SER  H       22 PRO 1HB     4.0   8.56   1.89
REMARK   3     23 SER  H       22 PRO 2HB     5.0   8.56   2.30
REMARK   3     23 SER  H       23 SER  HB     5.0   8.56   3.79
REMARK   3     23 SER  H       23 SER  HB     5.0   8.56   3.72
REMARK   3     23 SER  H       98 VAL QMG     4.0   8.56   0.73|0.74
REMARK   3     24 GLY  HA      73 THR  MG     3.5   3.39   0.84
REMARK   3     24 GLY  H       23 SER  HA     2.4   8.76   3.95
REMARK   3     24 GLY  H       23 SER  HB     4.3   8.76   3.79
REMARK   3     24 GLY  H       23 SER  HB     4.3   8.76   3.72
REMARK   3     24 GLY  H       25 GLU  H      3.5   8.76   7.84
REMARK   3     25 GLU  HA      25 GLU  HG     4.0   4.26   2.25
REMARK   3     25 GLU  H       21 VAL  MG     5.0   7.84   0.83
REMARK   3     25 GLU  H       23 SER  HA     4.3   7.84   3.95
REMARK   3     25 GLU  H       23 SER  HB     5.0   7.84   3.72
REMARK   3     25 GLU  H       25 GLU  HB     3.0   7.84   2.14
REMARK   3     25 GLU  H       25 GLU  HB     3.5   7.84   1.88
REMARK   3     26 LYS  HA      26 LYS  HB     3.5   4.25   1.56
REMARK   3     26 LYS  HA      26 LYS  HB     3.5   4.25   1.39
REMARK   3     26 LYS  HA      26 LYS  HG     4.0   4.25   1.26
REMARK   3     26 LYS  HA      26 LYS  HG     4.0   4.25   1.17
REMARK   3     26 LYS  H       25 GLU  HA     2.7   8.19   4.26
REMARK   3     26 LYS  H       25 GLU  HB     5.0   8.19   1.88
REMARK   3     26 LYS  H       26 LYS  HB     3.5   8.19   1.56
REMARK   3     26 LYS  H       26 LYS  HB     3.5   8.19   1.39
REMARK   3     26 LYS  H       26 LYS  HG     5.0   8.19   1.26
REMARK   3     26 LYS  H       26 LYS  HG     5.0   8.19   1.17
REMARK   3     27 ILE  HA       3 VAL  MG2    5.0   4.19  -0.13
REMARK   3     27 ILE  HA      27 ILE  HB     3.5   4.19   1.68
REMARK   3     27 ILE  HA      27 ILE  HG     4.0   4.19   1.80
REMARK   3     27 ILE  HA      27 ILE  HG     4.0   4.19   0.62
REMARK   3     27 ILE  HA      27 ILE  MG     3.0   4.19  -0.07
REMARK   3     27 ILE  H       26 LYS  HA     2.4   9.08   4.25
REMARK   3     27 ILE  H       27 ILE  HB     3.5   9.08   1.68
REMARK   3     27 ILE  H       27 ILE  HG     4.0   9.08   1.80
REMARK   3     27 ILE  H       27 ILE  MG     5.0   9.08  -0.07
REMARK   3     27 ILE  H       72 VAL  H      4.3   9.08   8.75
REMARK   3     27 ILE  H       73 THR  HA     4.3   9.08   4.45
REMARK   3     28 VAL  HA      28 VAL QMG     3.5   4.17   0.79|0.81
REMARK   3     28 VAL  HA      71 VAL  MG1    4.0   4.17   0.73
REMARK   3     28 VAL  HA      71 VAL  MG2    4.0   4.17   0.89
REMARK   3     28 VAL  H        2 GLU  HA     3.5   8.38   5.04
REMARK   3     28 VAL  H       27 ILE  HA     2.4   8.38   4.19
REMARK   3     28 VAL  H       27 ILE  HB     4.0   8.38   1.68
REMARK   3     28 VAL  H       27 ILE  MG     4.0   8.38  -0.07
REMARK   3     28 VAL  H       28 VAL  HB     4.0   8.38   1.95
REMARK   3     28 VAL  H       28 VAL  MG2    4.0   8.38   0.79
REMARK   3     29 PHE  HA       3 VAL  HB     4.0   5.17   1.39
REMARK   3     29 PHE  HA       3 VAL  MG1    5.0   5.17   1.11
REMARK   3     29 PHE  HA       3 VAL  MG2    5.0   5.17  -0.13
REMARK   3     29 PHE  HA       5 LEU  MD     5.0   5.17   0.75
REMARK   3     29 PHE  HA      27 ILE  MG     5.0   5.17  -0.07
REMARK   3     29 PHE  HA      29 PHE  HB     4.0   5.17   3.50
REMARK   3     29 PHE  HA      29 PHE  HB     3.5   5.17   2.81
REMARK   3     29 PHE  HB      39 VAL  MG2    4.0   3.50   0.17
REMARK   3     29 PHE  HB      70 TYR 2HB     4.0   3.50   2.63
REMARK   3     29 PHE  HB      39 VAL  MG2    5.0   2.81   0.17
REMARK   3     29 PHE  HD       3 VAL  HB     4.0   7.22   1.39
REMARK   3     29 PHE  HD       3 VAL  MG1    3.5   7.22   1.11
REMARK   3     29 PHE  HD       3 VAL  MG2    5.0   7.22  -0.13
REMARK   3     29 PHE  HD       5 LEU  HG     5.0   7.22   1.50
REMARK   3     29 PHE  HD       5 LEU  MD     4.0   7.22   0.87
REMARK   3     29 PHE  HD       5 LEU  MD     3.5   7.22   0.75
REMARK   3     29 PHE  HD      27 ILE  HB     5.0   7.22   1.68
REMARK   3     29 PHE  HD      29 PHE  HA     4.0   7.22   5.17
REMARK   3     29 PHE  HD      39 VAL  MG1    5.0   7.22  -0.32
REMARK   3     29 PHE  HD      39 VAL  MG2    4.0   7.22   0.17
REMARK   3     29 PHE  HD      70 TYR 1HB     5.0   7.22   3.40
REMARK   3     29 PHE  HD      70 TYR 2HB     5.0   7.22   2.63
REMARK   3     29 PHE  HD      70 TYR  HD     4.0   7.22   7.01
REMARK   3     29 PHE  HD      70 TYR  HE     5.0   7.22   6.66
REMARK   3     29 PHE  HD      71 VAL  HA     5.0   7.22   5.10
REMARK   3     29 PHE  HD      72 VAL  MG1    4.0   7.22   0.98
REMARK   3     29 PHE  HE       3 VAL  HB     5.0   6.73   1.39
REMARK   3     29 PHE  HE       3 VAL  MG1    3.5   6.73   1.11
REMARK   3     29 PHE  HE       3 VAL  MG2    3.5   6.73  -0.13
REMARK   3     29 PHE  HE      27 ILE  HB     4.0   6.73   1.68
REMARK   3     29 PHE  HE      27 ILE  MD     4.0   6.73   0.81
REMARK   3     29 PHE  HE      27 ILE  MG     3.5   6.73  -0.07
REMARK   3     29 PHE  HE      39 VAL  MG1    4.0   6.73  -0.32
REMARK   3     29 PHE  HE      39 VAL  MG2    5.0   6.73   0.17
REMARK   3     29 PHE  HE      72 VAL  MG1    5.0   6.73   0.98
REMARK   3     29 PHE  HE      74 LEU  MD     5.0   6.73  -0.22
REMARK   3     29 PHE  HE      82 PHE  HD     5.0   6.73   6.28
REMARK   3     29 PHE  HE      82 PHE  HE     4.0   6.73   5.77
REMARK   3     29 PHE  H       28 VAL  HA     2.4   9.30   4.17 
REMARK   3     29 PHE  H       28 VAL  MG1    4.0   9.30   0.81
REMARK   3     29 PHE  H       29 PHE  HB     3.5   9.30   3.50
REMARK   3     29 PHE  H       29 PHE  HB     4.0   9.30   2.81
REMARK   3     29 PHE  H       29 PHE  HD     3.5   9.30   7.22
REMARK   3     29 PHE  H       70 TYR  H      4.3   9.30   9.04
REMARK   3     29 PHE  H       71 VAL  HA     4.3   9.30   5.10
REMARK   3     29 PHE  H       71 VAL  MG1    5.0   9.30   0.73
REMARK   3     29 PHE  H       71 VAL  MG2    5.0   9.30   0.89
REMARK   3     29 PHE  HZ       3 VAL  MG2    5.0   5.90  -0.13
REMARK   3     29 PHE  HZ      27 ILE  MG     4.0   5.90  -0.07
REMARK   3     29 PHE  HZ      39 VAL  MG1    5.0   5.90  -0.32
REMARK   3     29 PHE  HZ      72 VAL  MG1    4.0   5.90   0.98
REMARK   3     30 LYS  HA      28 VAL  MG1    5.0   4.78   0.81
REMARK   3     30 LYS  HA      30 LYS  HB     3.5   4.78   1.31
REMARK   3     30 LYS  HA      30 LYS QHG     3.5   4.78   1.11
REMARK   3     30 LYS  HA      69 THR  MG     3.0   4.78   1.07 
REMARK   3     30 LYS  H        3 VAL  H      4.3   9.29   9.08
REMARK   3     30 LYS  H       29 PHE  HA     2.4   9.29   5.17
REMARK   3     30 LYS  H       30 LYS  HB     4.0   9.29   1.73
REMARK   3     30 LYS  H       30 LYS  HB     5.0   9.29   1.31
REMARK   3     30 LYS  H       30 LYS QHG     5.0   9.29   1.11
REMARK   3     31 ASN  HA       5 LEU  HA     5.0   5.02   4.04
REMARK   3     31 ASN  HA       5 LEU 2HB     3.0   5.02   0.87
REMARK   3     31 ASN  HA       5 LEU  HG     5.0   5.02   1.50
REMARK   3     31 ASN  H       30 LYS QHG     4.0   9.08   1.11
REMARK   3     31 ASN  H       31 ASN  HB     3.5   9.08   2.85
REMARK   3     31 ASN  H       31 ASN  HB     4.0   9.08   2.71
REMARK   3     31 ASN  H       63 LEU  MD     5.0   9.08   0.68
REMARK   3     31 ASN  H       68 GLU  H      4.3   9.08   7.30
REMARK   3     31 ASN  H       69 THR  HA     4.3   9.08   5.88
REMARK   3     31 ASN 1HD2     31 ASN  HB     4.0   5.10   2.85
REMARK   3     31 ASN 1HD2     31 ASN  HB     4.0   5.10   2.71
REMARK   3     32 ASN  HA       4 LEU  MD     5.0   5.24   0.90
REMARK   3     32 ASN  HA       4 LEU  MD     5.0   5.24   0.79
REMARK   3     32 ASN  HA      32 ASN 2HB     3.5   5.24   3.49
REMARK   3     32 ASN  HA      32 ASN 1HB     3.5   5.24   2.40
REMARK   3     32 ASN 2HB       4 LEU 2HB     4.0   3.49   1.39
REMARK   3     32 ASN 1HB       4 LEU 2HB     4.0   2.40   1.39
REMARK   3     32 ASN 1HB       4 LEU  MD     4.0   2.40   0.79
REMARK   3     32 ASN  H        5 LEU 1HB     4.0   8.98   2.14
REMARK   3     32 ASN  H        5 LEU  H      4.3   8.98   8.62
REMARK   3     32 ASN  H       31 ASN  HA     2.7   8.98   5.02
REMARK   3     32 ASN 1HD2     32 ASN 1HB     5.0   7.16   2.40
REMARK   3     32 ASN 2HD2      4 LEU  MD     5.0   7.88   0.79
REMARK   3     32 ASN 2HD2      7 SER  HA     5.0   7.88   4.57
REMARK   3     32 ASN 2HD2     33 ALA  MB     5.0   7.88   1.30
REMARK   3     33 ALA  H       32 ASN  HA     3.5   8.98   5.24
REMARK   3     33 ALA  H       32 ASN 2HB     2.7   8.98   3.49
REMARK   3     33 ALA  H       32 ASN 1HB     3.5   8.98   2.40
REMARK   3     33 ALA  H       33 ALA  MB     4.0   8.98   1.30
REMARK   3     33 ALA  H       35 PHE  HD     5.0   8.98   6.77
REMARK   3     33 ALA  H       37 HIS  HD2    5.0   8.98   7.57
REMARK   3     34 GLY  HA      12 LEU  MD     5.0   3.60   0.35
REMARK   3     34 GLY  HA      12 LEU  MD     4.0   3.46   0.35
REMARK   3     34 GLY  H       33 ALA  HA     3.5   8.89   4.55
REMARK   3     34 GLY  H       33 ALA  MB     5.0   8.89   1.30
REMARK   3     34 GLY  H       35 PHE  H      3.5   8.89   5.72
REMARK   3     35 PHE  HD      31 ASN  HA     5.0   6.77   5.02
REMARK   3     35 PHE  HD      31 ASN  HB     5.0   6.77   2.85
REMARK   3     35 PHE  HD      31 ASN  HB     5.0   6.77   2.71
REMARK   3     35 PHE  HD      33 ALA  HA     4.0   6.77   4.55
REMARK   3     35 PHE  HD      35 PHE  H      4.0   6.77   5.72
REMARK   3     35 PHE  HD      36 PRO  HA     4.0   6.77   5.12
REMARK   3     35 PHE  HD      36 PRO 1HB     5.0   6.77   1.91
REMARK   3     35 PHE  HD      36 PRO  HD     5.0   6.77   3.81
REMARK   3     35 PHE  HD      36 PRO  HD     5.0   6.77   3.52
REMARK   3     35 PHE  HD      64 ASN  HA     5.0   6.77   4.66
REMARK   3     35 PHE  HE      33 ALA  HA     4.0   7.28   4.55
REMARK   3     35 PHE  HE      66 PRO 2HB     5.0   7.28   2.38
REMARK   3     35 PHE  H       33 ALA  HA     5.0   5.72   4.55
REMARK   3     35 PHE  H       35 PHE  HB     4.0   5.72   3.26
REMARK   3     35 PHE  HZ      33 ALA  HA     5.0   7.41   4.55
REMARK   3     35 PHE  HZ      66 PRO  HA     5.0   7.41   3.63
REMARK   3     35 PHE  HZ      66 PRO 2HB     5.0   7.41   2.38
REMARK   3     35 PHE  HZ      66 PRO  HG     4.0   7.41   2.12
REMARK   3     36 PRO  HA      35 PHE  HA     2.7   5.12   3.18
REMARK   3     36 PRO  HA      62 LEU  MD     5.0   5.12   0.59
REMARK   3     36 PRO  HA      64 ASN  HA     4.3   5.12   4.66
REMARK   3     37 HIS  HA      37 HIS 1HB     4.0   5.93   2.72
REMARK   3     37 HIS  HA      37 HIS 2HB     3.5   5.93   3.48
REMARK   3     37 HIS  HA      62 LEU  MD     5.0   5.93   0.77
REMARK   3     37 HIS  HA      86 PRO  HG     4.0   5.93   1.63
REMARK   3     37 HIS 1HB       5 LEU  MD     4.0   2.72   0.87
REMARK   3     37 HIS 2HB       5 LEU  MD     3.5   3.48   0.87
REMARK   3     37 HIS 2HB       5 LEU  MD     3.5   3.48   0.75
REMARK   3     37 HIS 2HB      92 MET  ME     5.0   3.48   0.54
REMARK   3     37 HIS  HD2      5 LEU 1HB     4.0   7.57   2.14
REMARK   3     37 HIS  HD2      5 LEU 2HB     3.5   7.57   0.87
REMARK   3     37 HIS  HD2      5 LEU  MD     4.0   7.57   0.75
REMARK   3     37 HIS  HD2     31 ASN  HA     5.0   7.57   5.02
REMARK   3     37 HIS  HD2     35 PHE  HA     3.0   7.57   3.18
REMARK   3     37 HIS  HD2     35 PHE  HD     4.0   7.57   6.77
REMARK   3     37 HIS  HD2     37 HIS 1HB     3.5   7.57   2.72
REMARK   3     37 HIS  HD2     37 HIS 2HB     4.0   7.57   3.48
REMARK   3     37 HIS  HD2     92 MET  ME     5.0   7.57   0.54
REMARK   3     37 HIS  HE1      6 GLY  HA     5.0   7.16   3.99
REMARK   3     37 HIS  HE1     12 LEU  HA     5.0   7.16   4.18
REMARK   3     37 HIS  HE1     12 LEU  HG     5.0   7.16   1.60
REMARK   3     37 HIS  HE1     12 LEU  MD     3.5   7.16   0.35
REMARK   3     37 HIS  HE1     34 GLY  HA     5.0   7.16   3.60
REMARK   3     37 HIS  HE1     92 MET  ME     3.5   7.16   0.54
REMARK   3     37 HIS  H       36 PRO  HA     2.4   7.57   5.12
REMARK   3     37 HIS  H       36 PRO 1HB     4.0   7.57   1.91
REMARK   3     37 HIS  H       36 PRO 2HB     5.0   7.57   2.46
REMARK   3     37 HIS  HE2      6 GLY  HA     5.0  11.50   5.26
REMARK   3     37 HIS  HE2     12 LEU  MD     5.0  11.50   0.56
REMARK   3     37 HIS  HE2     33 ALA  H      5.0  11.50   8.98
REMARK   3     37 HIS  HE2     34 GLY  HA     5.0  11.50   3.60
REMARK   3     37 HIS  HE2     34 GLY  HA     5.0  11.50   3.46
REMARK   3     37 HIS  HE2     35 PHE  HA     5.0  11.50   3.18
REMARK   3     37 HIS  HE2     35 PHE  HB     5.0  11.50   3.26
REMARK   3     37 HIS  HE2     35 PHE  HD     5.0  11.50   6.77
REMARK   3     37 HIS  HE2     35 PHE  H      5.0  11.50   5.72
REMARK   3     37 HIS  HE2     92 MET  ME     5.0  11.50   0.54
REMARK   3     38 ASN  HA      38 ASN  HB     3.5   4.22   3.26
REMARK   3     38 ASN  HA      39 VAL  MG2    5.0   4.22   0.17
REMARK   3     38 ASN  HA      63 LEU  MD     5.0   4.22   0.68
REMARK   3     38 ASN  HB      62 LEU  MD     4.0   3.32   0.59
REMARK   3     38 ASN  H       37 HIS  HA     2.7  10.21   5.93
REMARK   3     38 ASN  H       37 HIS 1HB     4.0  10.21   2.72
REMARK   3     38 ASN  H       37 HIS 2HB     3.5  10.21   3.48
REMARK   3     38 ASN  H       38 ASN  HB     5.0  10.21   3.26
REMARK   3     38 ASN  H       62 LEU  MD     5.0  10.21   0.77
REMARK   3     38 ASN  H       84 CYS  HA     4.3  10.21   5.33 
REMARK   3     38 ASN  H       84 CYS 1HB     5.0  10.21   3.22
REMARK   3     38 ASN  H       85 SER  H      4.3  10.21   9.58
REMARK   3     38 ASN 1HD2     40 VAL  MG2    4.0   5.73   0.68
REMARK   3     38 ASN 1HD2     85 SER  HB     5.0   5.73   4.24
REMARK   3     38 ASN 1HD2     85 SER  HB     5.0   5.73   4.10
REMARK   3     38 ASN 2HD2     59 GLU  HA     5.0   7.26   3.72
REMARK   3     39 VAL  HA      39 VAL  MG1    3.5   4.11  -0.32
REMARK   3     39 VAL  HA      39 VAL  MG2    3.5   4.11   0.17
REMARK   3     39 VAL  H       38 ASN  HA     2.7   6.18   4.22
REMARK   3     39 VAL  H       38 ASN QHB     3.0   6.18   3.26|3.32
REMARK   3     39 VAL  H       39 VAL  HB     3.5   6.18   1.24
REMARK   3     39 VAL  H       39 VAL  MG1    5.0   6.18  -0.32
REMARK   3     39 VAL  H       39 VAL  MG2    4.0   6.18   0.17
REMARK   3     39 VAL  H       40 VAL  MG2    5.0   6.18   0.68
REMARK   3     39 VAL  H       57 MET  HB     4.0   6.18   1.36
REMARK   3     40 VAL  HA      39 VAL  MG1    5.0   3.94  -0.32
REMARK   3     40 VAL  HA      40 VAL  MG1    3.5   3.94   0.82
REMARK   3     40 VAL  HA      40 VAL  MG2    4.0   3.94   0.68
REMARK   3     40 VAL  H       39 VAL  HA     2.4   8.88   4.11
REMARK   3     40 VAL  H       39 VAL  MG1    4.0   8.88  -0.32
REMARK   3     40 VAL  H       39 VAL  MG2    5.0   8.88   0.17
REMARK   3     40 VAL  H       40 VAL  HB     4.0   8.88   0.92
REMARK   3     40 VAL  H       40 VAL  MG1    4.0   8.88   0.82
REMARK   3     40 VAL  H       40 VAL  MG2    4.0   8.88   0.68
REMARK   3     40 VAL  H       82 PHE 1HB     5.0   8.88   1.89
REMARK   3     41 PHE  HA      41 PHE  HB     4.0   4.68   2.88
REMARK   3     41 PHE  HB      46 ILE  MG     4.0   2.88   1.34
REMARK   3     41 PHE  HB      55 ILE  MG     5.5   2.88  -0.06
REMARK   3     41 PHE  HB      46 ILE  MG     5.0   2.70   1.34
REMARK   3     41 PHE  HB      52 ALA  MB     5.0   2.70   1.51
REMARK   3     41 PHE  HB      55 ILE  MG     5.5   2.70  -0.06
REMARK   3     41 PHE  HD      39 VAL  MG1    4.0   7.27  -0.32
REMARK   3     41 PHE  HD      40 VAL  HA     5.0   7.27   3.94
REMARK   3     41 PHE  HD      46 ILE  MD     5.0   7.27   0.79 
REMARK   3     41 PHE  HD      46 ILE  MG     3.5   7.27   1.34
REMARK   3     41 PHE  HD      52 ALA  HA     5.0   7.27   3.77
REMARK   3     41 PHE  HD      52 ALA  MB     5.0   7.27   1.51
REMARK   3     41 PHE  HD      55 ILE  MD     5.0   7.27   0.67
REMARK   3     41 PHE  HD      55 ILE  MG     4.5   7.27  -0.06
REMARK   3     41 PHE  HD      55 ILE QHG     4.0   7.27   1.06|1.08
REMARK   3     41 PHE  HD      56 SER  HA     3.5   7.27   4.86
REMARK   3     41 PHE  HD      56 SER  HG     5.0   7.27   5.91
REMARK   3     41 PHE  HD      74 LEU  MD     5.0   7.27  -0.22
REMARK   3     41 PHE  HD      80 TYR  HA     5.0   7.27   5.52
REMARK   3     41 PHE  HD      80 TYR 1HB     4.0   7.27   3.66
REMARK   3     41 PHE  HD      80 TYR 2HB     3.5   7.27   3.05
REMARK   3     41 PHE  HD      80 TYR  HD     4.0   7.27   7.11
REMARK   3     41 PHE  HD      82 PHE  HA     5.0   7.27   5.34
REMARK   3     41 PHE  HD      82 PHE 1HB     5.0   7.27   1.89
REMARK   3     41 PHE  HD      82 PHE 2HB     4.0   7.27   1.65
REMARK   3     41 PHE  HD      82 PHE  HD     5.0   7.27   6.28
REMARK   3     41 PHE  HD      96 VAL  MG1    5.0   7.27   0.95
REMARK   3     41 PHE  HE      29 PHE  HZ     5.0   7.05   5.90
REMARK   3     41 PHE  HE      39 VAL  MG1    3.5   7.05  -0.32
REMARK   3     41 PHE  HE      55 ILE  HB     5.0   7.05   1.68
REMARK   3     41 PHE  HE      56 SER  HA     4.0   7.05   4.86
REMARK   3     41 PHE  HE      74 LEU  MD     5.0   7.05   0.22
REMARK   3     41 PHE  HE      74 LEU  MD     4.0   7.05  -0.22
REMARK   3     41 PHE  HE      80 TYR 1HB     4.0   7.05   3.66
REMARK   3     41 PHE  HE      80 TYR 2HB     3.5   7.05   3.05
REMARK   3     41 PHE  HE      82 PHE 1HB     5.0   7.05   1.89
REMARK   3     41 PHE  HE      82 PHE  HD     3.5   7.05   6.28
REMARK   3     41 PHE  HE      82 PHE  HE     5.0   7.05   5.77
REMARK   3     41 PHE  HE      96 VAL  MG1    3.5   7.05   0.95
REMARK   3     41 PHE  H       40 VAL  HA     2.4   8.66   3.94
REMARK   3     41 PHE  H       40 VAL  MG1    4.0   8.66   0.82
REMARK   3     41 PHE  H       40 VAL  MG2    5.0   8.66   0.68
REMARK   3     41 PHE  H       41 PHE  HB     5.0   8.66   2.88
REMARK   3     41 PHE  H       41 PHE  HB     4.0   8.66   2.70
REMARK   3     41 PHE  H       41 PHE  HD     4.0   8.66   7.27
REMARK   3     41 PHE  H       56 SER  HG     4.0   8.66   5.91
REMARK   3     41 PHE  HZ      29 PHE  HZ     5.0   6.67   5.90
REMARK   3     41 PHE  HZ      74 LEU  MD     5.0   6.67   0.22
REMARK   3     41 PHE  HZ      74 LEU  MD     4.0   6.67  -0.22
REMARK   3     42 ASP  H       41 PHE  HA     3.5   8.39   4.68
REMARK   3     42 ASP  H       41 PHE  HB     4.0   8.39   2.88
REMARK   3     42 ASP  H       42 ASP 1HB     3.5   8.39   2.47
REMARK   3     42 ASP  H       42 ASP 2HB     3.5   8.39   2.97
REMARK   3     42 ASP  H       82 PHE  HA     3.5   8.39   5.34
REMARK   3     42 ASP  H       83 TYR  HD     5.0   8.39   6.69
REMARK   3     43 GLU  HA      43 GLU 1HB     3.5   4.02   2.20 
REMARK   3     43 GLU  HA      43 GLU 2HB     3.5   4.02   2.08
REMARK   3     43 GLU  HA      46 ILE  HG     3.0   4.02   1.30
REMARK   3     43 GLU  HA      52 ALA  MB     3.5   4.02   1.51
REMARK   3     43 GLU  H       42 ASP  HA     3.5   8.70   4.62
REMARK   3     43 GLU  H       43 GLU 1HB     4.0   8.70   2.20 
REMARK   3     43 GLU  H       43 GLU 2HB     3.5   8.70   2.08
REMARK   3     43 GLU  H       43 GLU  HG     4.0   8.70   2.38
REMARK   3     43 GLU  H       44 ASP  H      3.5   8.70   8.60
REMARK   3     43 GLU  H       52 ALA  MB     5.0   8.70   1.51
REMARK   3     44 ASP  HA      44 ASP  HB     4.0   4.80   2.72
REMARK   3     44 ASP  H       44 ASP  HB     4.0   8.60   2.83
REMARK   3     44 ASP  H       44 ASP  HB     3.5   8.60   2.72
REMARK   3     44 ASP  H       45 GLU  H      3.0   8.60   8.27
REMARK   3     45 GLU  HA      45 GLU  HB     3.5   4.66   2.41
REMARK   3     45 GLU  HA      45 GLU  HB     3.5   4.66   1.64
REMARK   3     45 GLU  HA      45 GLU  HG     4.0   4.66   2.17
REMARK   3     45 GLU  HA      45 GLU  HG     3.5   4.66   2.09
REMARK   3     45 GLU  H       42 ASP 2HB     5.0   8.27   2.97
REMARK   3     45 GLU  H       44 ASP  HB     5.0   8.27   2.83
REMARK   3     45 GLU  H       45 GLU  HB     3.5   8.27   2.41
REMARK   3     45 GLU  H       45 GLU  HB     4.0   8.27   1.64
REMARK   3     45 GLU  H       46 ILE  H      3.5   8.27   7.14
REMARK   3     46 ILE  HA      46 ILE  HB     3.5   4.97   1.66 
REMARK   3     46 ILE  HA      46 ILE  MG     3.0   4.97   1.34
REMARK   3     46 ILE  HA      47 PRO  HD     2.4   4.97   2.57
REMARK   3     46 ILE  HA      47 PRO  HD     3.0   4.97   2.08
REMARK   3     46 ILE  HA      47 PRO  HG     5.0   4.97   1.17
REMARK   3     46 ILE  H       45 GLU  HA     3.5   7.14   4.66
REMARK   3     46 ILE  H       46 ILE  HG     3.0   7.14   1.30
REMARK   3     46 ILE  H       46 ILE  HG     3.0   7.14   1.24
REMARK   3     47 PRO  HA      47 PRO  HD     5.0   4.21   2.57
REMARK   3     47 PRO  HD      46 ILE  HB     4.0   2.57   1.66 
REMARK   3     47 PRO  HD      46 ILE  HB     4.0   2.08   1.66 
REMARK   3     48 ALA  H       47 PRO  HA     3.0   8.22   4.21
REMARK   3     48 ALA  H       47 PRO 1HB     5.0   8.22   1.47
REMARK   3     48 ALA  H       47 PRO 2HB     4.0   8.22   2.30
REMARK   3     48 ALA  H       48 ALA  MB     3.0   8.22   1.39
REMARK   3     49 GLY  H       48 ALA  MB     3.5   8.66   1.39
REMARK   3     49 GLY  H       50 VAL  H      3.0   8.66   7.44
REMARK   3     50 VAL  HA      50 VAL  MG2    3.0   3.97   0.87
REMARK   3     50 VAL  H       49 GLY  HA     3.5   7.44   4.21
REMARK   3     50 VAL  H       49 GLY  HA     5.0   7.44   3.64
REMARK   3     50 VAL  H       50 VAL  HB     3.5   7.44   2.00
REMARK   3     50 VAL  H       50 VAL  MG2    3.5   7.44   0.87
REMARK   3     51 ASP  HA      46 ILE  MD     5.0   4.84   0.79 
REMARK   3     51 ASP  HA      50 VAL  MG1    5.0   4.84   0.92
REMARK   3     51 ASP  HA      51 ASP 1HB     3.5   4.84   2.59
REMARK   3     51 ASP  HA      52 ALA  MB     5.0   4.84   1.51
REMARK   3     51 ASP  H       50 VAL  HA     3.0   8.44   3.97
REMARK   3     51 ASP  H       50 VAL  MG1    3.5   8.44   0.92
REMARK   3     51 ASP  H       51 ASP 1HB     4.0   8.44   2.59
REMARK   3     51 ASP  H       51 ASP 2HB     3.5   8.44   2.87
REMARK   3     52 ALA  HA      46 ILE  MD     4.0   3.77   0.79 
REMARK   3     52 ALA  HA      55 ILE  MD     5.0   3.77   0.67
REMARK   3     52 ALA  HA      55 ILE  MG     4.5   3.77  -0.06
REMARK   3     52 ALA  HA      55 ILE QHG     4.0   3.77   1.06|1.08
REMARK   3     52 ALA  H       46 ILE  MD     4.0   9.24   0.79 
REMARK   3     52 ALA  H       50 VAL  MG1    5.0   9.24   0.92
REMARK   3     52 ALA  H       51 ASP  HA     3.5   9.24   4.84
REMARK   3     52 ALA  H       51 ASP 1HB     5.0   9.24   2.59
REMARK   3     52 ALA  H       51 ASP 2HB     5.0   9.24   2.87
REMARK   3     52 ALA  H       52 ALA  MB     3.0   9.24   1.51
REMARK   3     52 ALA  H       53 VAL  H      3.5   9.24   8.35
REMARK   3     52 ALA  H       54 LYS  H      4.3   9.24   7.25
REMARK   3     53 VAL  HA      53 VAL  MG1    3.5   3.80   0.98
REMARK   3     53 VAL  HA      53 VAL  MG2    3.5   3.80   1.11
REMARK   3     53 VAL  H       52 ALA  MB     4.0   8.35   1.51
REMARK   3     53 VAL  H       53 VAL  HB     3.0   8.35   2.30
REMARK   3     53 VAL  H       53 VAL  MG1    4.0   8.35   0.98
REMARK   3     53 VAL  H       53 VAL  MG2    3.5   8.35   1.11
REMARK   3     53 VAL  H       54 LYS  H      3.0   8.35   7.25
REMARK   3     54 LYS  HA      53 VAL  MG1    5.0   4.23   0.98
REMARK   3     54 LYS  HA      54 LYS  HB     3.0   4.23   2.02
REMARK   3     54 LYS  H       53 VAL  HB     4.0   7.25   2.30
REMARK   3     54 LYS  H       54 LYS  HB     3.0   7.25   1.97
REMARK   3     54 LYS  H       54 LYS  HG     4.0   7.25   1.59
REMARK   3     54 LYS  H       54 LYS  HG     4.0   7.25   1.46
REMARK   3     54 LYS  H       55 ILE  H      3.0   7.25   6.94
REMARK   3     55 ILE  HA      55 ILE  HB     3.0   4.50   1.68
REMARK   3     55 ILE  HA      55 ILE  MD     4.0   4.50   0.67
REMARK   3     55 ILE  HA      55 ILE  MG     5.0   4.50  -0.06
REMARK   3     55 ILE  HA      72 VAL  MG2    3.5   4.50   1.02
REMARK   3     55 ILE  H       52 ALA  HA     4.0   6.94   3.77
REMARK   3     55 ILE  H       54 LYS QHB     4.0   6.94   1.97|2.02
REMARK   3     55 ILE  H       55 ILE  HB     5.0   6.94   1.68
REMARK   3     55 ILE  H       55 ILE  MD     4.5   6.94   0.67
REMARK   3     55 ILE  H       55 ILE  MG     4.0   6.94  -0.06
REMARK   3     55 ILE  H       55 ILE QHG     4.0   6.94   1.06|1.08
REMARK   3     56 SER  HA      39 VAL  MG1    5.0   4.86  -0.32
REMARK   3     56 SER  HA      55 ILE QHG     5.0   4.86   1.06|1.08
REMARK   3     56 SER  HA      56 SER 1HB     3.0   4.86   3.88 
REMARK   3     56 SER  HA      56 SER 2HB     3.0   4.86   4.32
REMARK   3     56 SER 2HB      40 VAL  MG1    4.0   4.32   0.82
REMARK   3     56 SER 2HB      40 VAL  MG2    5.0   4.32   0.68
REMARK   3     56 SER  H       53 VAL  HA     4.3   7.42   3.80
REMARK   3     56 SER  H       55 ILE  H      2.7   7.42   6.94
REMARK   3     56 SER  H       55 ILE  MD     5.0   7.42   0.67
REMARK   3     56 SER  H       55 ILE  MG     5.0   7.42  -0.06
REMARK   3     56 SER  H       55 ILE QHG     4.0   7.42   1.06|1.08
REMARK   3     56 SER  H       56 SER 1HB     3.5   7.42   3.88 
REMARK   3     56 SER  H       56 SER 2HB     5.0   7.42   4.32
REMARK   3     56 SER  H       56 SER  HG     4.0   7.42   5.91
REMARK   3     56 SER  HG      40 VAL  MG1    4.0   5.91   0.82
REMARK   3     56 SER  HG      52 ALA  MB     4.0   5.91   1.51
REMARK   3     56 SER  HG      55 ILE QHG     4.5   5.91   1.06|1.08
REMARK   3     57 MET  HA      57 MET  HB     4.0   4.14   1.92
REMARK   3     57 MET  HA      57 MET  HB     4.0   4.14   1.36
REMARK   3     57 MET  HA      57 MET  HG     3.5   4.14   1.76
REMARK   3     57 MET  HA      58 PRO  HD     2.4   4.14   3.85
REMARK   3     57 MET  HA      58 PRO  HD     2.7   4.14   3.39
REMARK   3     57 MET  H       40 VAL  MG2    5.0   8.48   0.68
REMARK   3     57 MET  H       56 SER  HA     3.5   8.48   4.86
REMARK   3     57 MET  H       56 SER 2HB     4.0   8.48   4.32
REMARK   3     57 MET  H       57 MET  HB     3.5   8.48   1.36
REMARK   3     57 MET  H       57 MET  HG     5.0   8.48   1.76
REMARK   3     58 PRO  HD      57 MET  HB     4.0   3.39   1.92
REMARK   3     58 PRO  HD      57 MET  ME     4.0   3.39   1.89
REMARK   3     59 GLU  HA      40 VAL  MG2    4.0   3.72   0.68
REMARK   3     59 GLU  HA      59 GLU  HB     3.5   3.72   2.02
REMARK   3     59 GLU  H       58 PRO  HA     2.4   8.31   4.36
REMARK   3     59 GLU  H       58 PRO 1HB     5.0   8.31   1.73
REMARK   3     59 GLU  H       58 PRO 2HB     4.0   8.31   2.44 
REMARK   3     59 GLU  H       59 GLU  HB     3.0   8.31   2.09
REMARK   3     59 GLU  H       59 GLU  HG     5.0   8.31   2.38
REMARK   3     60 GLU  H       59 GLU  HA     3.5   8.60   3.72
REMARK   3     60 GLU  H       59 GLU  H      4.3   8.60   8.31
REMARK   3     60 GLU  H       60 GLU  HB     4.0   8.60   2.15
REMARK   3     60 GLU  H       60 GLU  HB     4.0   8.60   1.98
REMARK   3     60 GLU  H       60 GLU  HG     4.0   8.60   2.21
REMARK   3     60 GLU  H       61 GLU  H      3.0   8.60   7.90
REMARK   3     61 GLU  HA      61 GLU  HB     3.5   4.36   2.01
REMARK   3     61 GLU  HA      61 GLU  HB     3.5   4.36   1.84
REMARK   3     61 GLU  H       58 PRO 1HB     4.0   7.90   1.73
REMARK   3     61 GLU  H       58 PRO 2HB     5.0   7.90   2.44 
REMARK   3     61 GLU  H       59 GLU  HA     4.3   7.90   3.72
REMARK   3     61 GLU  H       60 GLU  HA     3.5   7.90   4.14
REMARK   3     61 GLU  H       61 GLU  HB     3.5   7.90   2.01
REMARK   3     61 GLU  H       61 GLU  HB     3.5   7.90   1.84
REMARK   3     61 GLU  H       61 GLU  HG     4.0   7.90   2.23
REMARK   3     61 GLU  H       61 GLU  HG     4.0   7.90   2.12
REMARK   3     62 LEU  HA      38 ASN  HB     3.5   4.62   3.32
REMARK   3     62 LEU  HA      38 ASN  HB     3.5   4.62   3.26
REMARK   3     62 LEU  HA      57 MET  ME     4.0   4.62   1.89
REMARK   3     62 LEU  HA      62 LEU  HB     3.5   4.62   1.22
REMARK   3     62 LEU  HA      62 LEU  MD     4.0   4.62   0.77
REMARK   3     62 LEU  HA      62 LEU  MD     3.5   4.62   0.59
REMARK   3     62 LEU  H       61 GLU  HA     2.7   7.96   4.36
REMARK   3     62 LEU  H       61 GLU  HB     4.0   7.96   2.01
REMARK   3     62 LEU  H       61 GLU  HB     4.0   7.96   1.84
REMARK   3     62 LEU  H       61 GLU  HG     5.0   7.96   2.23
REMARK   3     62 LEU  H       61 GLU  HG     5.0   7.96   2.12
REMARK   3     62 LEU  H       62 LEU  HB     3.5   7.96   1.55
REMARK   3     62 LEU  H       62 LEU  HB     4.0   7.96   1.22
REMARK   3     62 LEU  H       62 LEU  HG     4.0   7.96   1.45
REMARK   3     62 LEU  H       62 LEU  MD     5.0   7.96   0.77
REMARK   3     62 LEU  H       62 LEU  MD     5.0   7.96   0.59
REMARK   3     63 LEU  HA      63 LEU 1HB     4.0   4.45   1.94
REMARK   3     63 LEU  HA      63 LEU 2HB     3.5   4.45   1.07
REMARK   3     63 LEU  HA      63 LEU  HG     4.0   4.45   1.49
REMARK   3     63 LEU  HA      63 LEU  MD     3.0   4.45   0.77
REMARK   3     63 LEU  HA      63 LEU  MD     4.0   4.45   0.68
REMARK   3     63 LEU  H       37 HIS  H      4.3   9.18   7.57
REMARK   3     63 LEU  H       38 ASN  HA     4.3   9.18   4.22
REMARK   3     63 LEU  H       62 LEU  HA     3.5   9.18   4.62
REMARK   3     63 LEU  H       62 LEU  HB     5.0   9.18   1.55
REMARK   3     63 LEU  H       62 LEU  HB     4.0   9.18   1.22
REMARK   3     63 LEU  H       62 LEU  MD     5.0   9.18   0.59
REMARK   3     63 LEU  H       63 LEU 1HB     3.5   9.18   1.94
REMARK   3     63 LEU  H       63 LEU 2HB     5.0   9.18   1.07
REMARK   3     63 LEU  H       63 LEU  HG     3.5   9.18   1.49
REMARK   3     63 LEU  H       63 LEU  MD     5.0   9.18   0.68
REMARK   3     64 ASN  HA      64 ASN  HB     3.5   4.66   2.63
REMARK   3     64 ASN  H       63 LEU  HA     2.7   8.43   4.45
REMARK   3     64 ASN  H       63 LEU 2HB     4.0   8.43   1.07
REMARK   3     64 ASN  H       63 LEU  MD     4.0   8.43   0.77
REMARK   3     64 ASN  H       64 ASN  HB     4.0   8.43   2.72
REMARK   3     64 ASN  H       64 ASN  HB     4.0   8.43   2.63
REMARK   3     64 ASN  H       65 ALA  H      3.0   8.43   8.23
REMARK   3     65 ALA  HA      66 PRO  HD     2.7   4.55   3.59
REMARK   3     65 ALA  HA      66 PRO  HD     2.4   4.55   3.45
REMARK   3     65 ALA  H       31 ASN 1HD2    5.0   8.23   5.10
REMARK   3     65 ALA  H       31 ASN 2HD2    4.0   8.23   6.72
REMARK   3     65 ALA  H       64 ASN  HB     4.0   8.23   2.72
REMARK   3     65 ALA  H       64 ASN  HB     5.0   8.23   2.63
REMARK   3     65 ALA  H       65 ALA  MB     3.5   8.23   1.26
REMARK   3     66 PRO  HA      31 ASN  HB     4.0   3.63   2.71
REMARK   3     66 PRO  HA      66 PRO 2HB     4.0   3.63   2.38
REMARK   3     66 PRO  HD      65 ALA  MB     3.5   3.59   1.26
REMARK   3     66 PRO  HD      65 ALA  MB     4.0   3.45   1.26
REMARK   3     67 GLY  HA      30 LYS QHD     5.0   3.52   1.52
REMARK   3     67 GLY  HA      30 LYS QHG     3.5   3.52   1.11
REMARK   3     67 GLY  H       31 ASN  HB     4.0   8.33   2.85
REMARK   3     67 GLY  H       31 ASN  HB     4.0   8.33   2.71
REMARK   3     67 GLY  H       66 PRO  HA     2.4   8.33   3.63
REMARK   3     67 GLY  H       68 GLU  H      3.5   8.33   7.30
REMARK   3     68 GLU  HA      68 GLU  HG     3.5   4.26   2.46
REMARK   3     68 GLU  H       31 ASN  HB     4.0   7.30   2.85
REMARK   3     68 GLU  H       65 ALA  MB     4.0   7.30   1.26
REMARK   3     68 GLU  H       68 GLU  HB     3.0   7.30   2.08   
REMARK   3     68 GLU  H       68 GLU  HG     4.0   7.30   2.46
REMARK   3     68 GLU  H       68 GLU  HG     4.0   7.30   2.40
REMARK   3     69 THR  HA      30 LYS  HA     2.7   5.88   4.78
REMARK   3     69 THR  HA      30 LYS  HB     5.0   5.88   1.73
REMARK   3     69 THR  HA      30 LYS  HB     5.0   5.88   1.31
REMARK   3     69 THR  HA      63 LEU  MD     4.0   5.88   0.77
REMARK   3     69 THR  HA      63 LEU  MD     5.0   5.88   0.68
REMARK   3     69 THR  HA      69 THR  HB     3.5   5.88   3.96
REMARK   3     69 THR  HA      69 THR  MG     3.5   5.88   1.07 
REMARK   3     69 THR  H       68 GLU  HA     2.7   8.23   4.26
REMARK   3     69 THR  H       68 GLU QHB     3.5   8.23   2.05|2.08
REMARK   3     69 THR  H       69 THR  HB     5.0   8.23   3.96
REMARK   3     69 THR  H       69 THR  MG     4.0   8.23   1.07 
REMARK   3     70 TYR  HA      70 TYR 1HB     3.5   4.97   3.40
REMARK   3     70 TYR  HA      71 VAL  MG2    5.0   4.97   0.89
REMARK   3     70 TYR 1HB      63 LEU  MD     4.0   3.40   0.77
REMARK   3     70 TYR 1HB      63 LEU  MD     4.0   3.40   0.68
REMARK   3     70 TYR 2HB      57 MET  HG     5.0   2.63   1.58
REMARK   3     70 TYR 2HB      63 LEU  MD     5.0   2.63   0.77
REMARK   3     70 TYR 2HB      63 LEU  MD     5.0   2.63   0.68
REMARK   3     70 TYR  HD      29 PHE  HB     5.0   7.01   3.50
REMARK   3     70 TYR  HD      39 VAL  HB     4.0   7.01   1.24
REMARK   3     70 TYR  HD      39 VAL  MG1    4.0   7.01  -0.32
REMARK   3     70 TYR  HD      39 VAL  MG2    4.0   7.01   0.17
REMARK   3     70 TYR  HD      70 TYR  HA     4.0   7.01   4.97
REMARK   3     70 TYR  HE      39 VAL  HB     4.0   6.66   1.24
REMARK   3     70 TYR  HE      39 VAL  MG1    4.0   6.66  -0.32
REMARK   3     70 TYR  HE      39 VAL  MG2    5.0   6.66   0.17
REMARK   3     70 TYR  HE      56 SER  HA     5.0   6.66   4.86
REMARK   3     70 TYR  HE      57 MET  HG     5.0   6.66   1.76
REMARK   3     70 TYR  HE      70 TYR  HA     5.0   6.66   4.97
REMARK   3     70 TYR  HE      72 VAL  HB     4.0   6.66   1.83
REMARK   3     70 TYR  HE      72 VAL  MG1    3.5   6.66   0.98
REMARK   3     70 TYR  H       29 PHE  HB     5.0   9.04   3.50
REMARK   3     70 TYR  H       29 PHE  HB     5.0   9.04   2.81
REMARK   3     70 TYR  H       29 PHE  HD     5.0   9.04   7.22
REMARK   3     70 TYR  H       63 LEU  MD     5.0   9.04   0.68
REMARK   3     70 TYR  H       69 THR  HA     2.4   9.04   5.88
REMARK   3     70 TYR  H       69 THR  HB     3.5   9.04   3.96
REMARK   3     70 TYR  H       69 THR  MG     4.0   9.04   1.07 
REMARK   3     70 TYR  H       70 TYR 1HB     5.0   9.04   3.40
REMARK   3     70 TYR  H       70 TYR 2HB     3.5   9.04   2.63
REMARK   3     71 VAL  HA      28 VAL  HA     4.0   5.10   4.17 
REMARK   3     71 VAL  HA      28 VAL  MG1    5.0   5.10   0.81
REMARK   3     71 VAL  HA      28 VAL  MG2    5.0   5.10   0.79
REMARK   3     71 VAL  HA      71 VAL  MG1    3.5   5.10   0.73
REMARK   3     71 VAL  HA      71 VAL  MG2    3.5   5.10   0.89
REMARK   3     71 VAL  H       70 TYR  HA     2.7   7.75   4.97
REMARK   3     71 VAL  H       70 TYR  HD     5.0   7.75   7.01
REMARK   3     71 VAL  H       71 VAL  HB     3.5   7.75   1.74
REMARK   3     71 VAL  H       71 VAL  MG1    5.0   7.75   0.73
REMARK   3     71 VAL  H       71 VAL  MG2    3.5   7.75   0.89
REMARK   3     72 VAL  HA      71 VAL  MG1    5.0   4.39   0.73
REMARK   3     72 VAL  HA      72 VAL  MG2    4.0   4.39   1.02
REMARK   3     72 VAL  H       28 VAL  HA     4.3   8.75   4.17 
REMARK   3     72 VAL  H       71 VAL  HA     2.4   8.75   5.10
REMARK   3     72 VAL  H       71 VAL  MG1    3.5   8.75   0.73
REMARK   3     72 VAL  H       71 VAL  MG2    5.0   8.75   0.89
REMARK   3     72 VAL  H       72 VAL  HB     4.0   8.75   1.83
REMARK   3     72 VAL  H       72 VAL  MG1    4.0   8.75   0.98
REMARK   3     73 THR  HA      72 VAL  MG1    5.0   4.45   0.98
REMARK   3     73 THR  HA      72 VAL  MG2    5.0   4.45   1.02
REMARK   3     73 THR  HA      73 THR  HB     4.0   4.45   3.73
REMARK   3     73 THR  HA      73 THR  MG     3.5   4.45   0.84
REMARK   3     73 THR  H       72 VAL  HA     2.4   8.00   4.39
REMARK   3     73 THR  H       72 VAL  MG2    3.5   8.00   1.02
REMARK   3     73 THR  H       73 THR  HB     4.0   8.00   3.73
REMARK   3     73 THR  H       73 THR  MG     5.0   8.00   0.84
REMARK   3     74 LEU  HA      74 LEU 1HB     3.5   4.48   1.59
REMARK   3     74 LEU  HA      74 LEU  MD     3.0   4.48   0.22
REMARK   3     74 LEU  HA      74 LEU  MD     4.0   4.48  -0.22
REMARK   3     74 LEU  H       73 THR  HA     2.4   8.78   4.45
REMARK   3     74 LEU  H       73 THR  MG     3.5   8.78   0.84
REMARK   3     74 LEU  H       74 LEU 1HB     4.0   8.78   1.59
REMARK   3     74 LEU  H       74 LEU  HG     3.5   8.78   1.24
REMARK   3     74 LEU  H       74 LEU  MD     5.0   8.78   0.22
REMARK   3     74 LEU  H       74 LEU  MD     5.0   8.78  -0.22
REMARK   3     75 ASP  HA      23 SER  HA     4.3   4.77   3.95
REMARK   3     75 ASP  HA      75 ASP  HB     4.0   4.77   2.51
REMARK   3     75 ASP  HA      98 VAL QMG     5.0   4.77   0.73|0.74
REMARK   3     75 ASP  H       74 LEU  HA     2.4   8.48   4.48
REMARK   3     75 ASP  H       74 LEU 1HB     5.0   8.48   1.59
REMARK   3     75 ASP  H       74 LEU 2HB     4.0   8.48   0.86
REMARK   3     75 ASP  H       74 LEU  MD     4.0   8.48   0.22
REMARK   3     75 ASP  H       76 THR  H      3.5   8.48   8.05
REMARK   3     76 THR  HA      50 VAL  MG2    5.0   4.16   0.87
REMARK   3     76 THR  HA      75 ASP  HB     5.0   4.16   2.51
REMARK   3     76 THR  HA      76 THR  MG     3.5   4.16   1.25
REMARK   3     76 THR  H       75 ASP  HB     4.0   8.05   2.51
REMARK   3     76 THR  H       76 THR  HB     4.0   8.05   3.87
REMARK   3     76 THR  H       76 THR  MG     5.0   8.05   1.25
REMARK   3     76 THR  H       98 VAL QMG     5.0   8.05   0.73|0.74
REMARK   3     77 LYS  HA      77 LYS  HB     3.5   4.02   1.93
REMARK   3     77 LYS  HA      77 LYS  HB     3.5   4.02   1.73
REMARK   3     77 LYS  HA      77 LYS  HG     4.0   4.02   1.60
REMARK   3     77 LYS  HA      98 VAL  HB     3.0   4.02   2.42
REMARK   3     77 LYS  HA      98 VAL QMG     3.5   4.02   0.73|0.74
REMARK   3     77 LYS  H       76 THR  HA     2.4   8.86   4.16
REMARK   3     77 LYS  H       76 THR  MG     4.0   8.86   1.25
REMARK   3     77 LYS  H       77 LYS  HB     4.0   8.86   1.93
REMARK   3     77 LYS  H       77 LYS  HB     3.5   8.86   1.73
REMARK   3     77 LYS  H       77 LYS  HG     3.5   8.86   1.60
REMARK   3     77 LYS  H       77 LYS  HG     4.0   8.86   1.32
REMARK   3     78 GLY  H       77 LYS  HA     2.7   8.62   4.02
REMARK   3     78 GLY  H       77 LYS  HB     4.0   8.62   1.93
REMARK   3     78 GLY  H       77 LYS  HB     4.0   8.62   1.73
REMARK   3     78 GLY  H       77 LYS  HG     5.0   8.62   1.60
REMARK   3     78 GLY  H       77 LYS  HG     5.0   8.62   1.32
REMARK   3     78 GLY  H       80 TYR  HE     5.0   8.62   6.55
REMARK   3     78 GLY  H       97 THR  MG     5.0   8.62   1.08
REMARK   3     78 GLY  H       98 VAL  HB     3.5   8.62   2.42
REMARK   3     79 THR  HA      79 THR  HB     4.0   5.30   3.86 
REMARK   3     79 THR  HA      79 THR  MG     3.5   5.30   1.20
REMARK   3     79 THR  HA      97 THR  HA     3.0   5.30   4.92
REMARK   3     79 THR  HA      97 THR  MG     5.0   5.30   1.08
REMARK   3     79 THR  H       47 PRO  HG     4.0   8.39   1.35
REMARK   3     79 THR  H       78 GLY  HA     3.5   8.39   4.60
REMARK   3     79 THR  H       79 THR  MG     4.0   8.39   1.20
REMARK   3     80 TYR  HA      46 ILE  HA     3.0   5.52   4.97
REMARK   3     80 TYR  HA      46 ILE  HB     5.0   5.52   1.66 
REMARK   3     80 TYR  HA      46 ILE  MG     3.5   5.52   1.34
REMARK   3     80 TYR  HA      47 PRO  HD     4.0   5.52   2.57
REMARK   3     80 TYR  HA      79 THR  MG     5.0   5.52   1.20
REMARK   3     80 TYR  HA      80 TYR 1HB     4.0   5.52   3.66
REMARK   3     80 TYR  HA      80 TYR 2HB     4.0   5.52   3.05
REMARK   3     80 TYR 1HB      74 LEU  MD     5.0   3.66  -0.22
REMARK   3     80 TYR 1HB      96 VAL  MG1    3.0   3.66   0.95
REMARK   3     80 TYR 2HB      96 VAL  MG1    4.0   3.05   0.95
REMARK   3     80 TYR  HD      46 ILE  HB     5.0   7.11   1.66 
REMARK   3     80 TYR  HD      46 ILE  MG     4.0   7.11   1.34
REMARK   3     80 TYR  HD      47 PRO  HD     5.0   7.11   2.57
REMARK   3     80 TYR  HD      47 PRO  HD     5.0   7.11   2.08
REMARK   3     80 TYR  HD      55 ILE  MG     4.5   7.11  -0.06
REMARK   3     80 TYR  HD      74 LEU  MD     5.0   7.11   0.22
REMARK   3     80 TYR  HD      74 LEU  MD     5.0   7.11  -0.22
REMARK   3     80 TYR  HD      79 THR  HA     5.0   7.11   5.30
REMARK   3     80 TYR  HD      80 TYR  HA     4.0   7.11   5.52
REMARK   3     80 TYR  HD      96 VAL  MG1    4.0   7.11   0.95
REMARK   3     80 TYR  HD      97 THR  HA     5.0   7.11   4.92
REMARK   3     80 TYR  HD      98 VAL QMG     4.0   7.11   0.73|0.74
REMARK   3     80 TYR  HE      46 ILE  HB     5.0   6.55   1.66 
REMARK   3     80 TYR  HE      47 PRO  HD     5.0   6.55   2.57
REMARK   3     80 TYR  HE      47 PRO  HD     5.0   6.55   2.08
REMARK   3     80 TYR  HE      47 PRO  HG     5.0   6.55   1.17
REMARK   3     80 TYR  HE      50 VAL  HB     5.0   6.55   2.00
REMARK   3     80 TYR  HE      50 VAL  MG1    3.0   6.55   0.92
REMARK   3     80 TYR  HE      50 VAL  MG2    5.0   6.55   0.87
REMARK   3     80 TYR  HE      55 ILE  MD     5.0   6.55   0.67
REMARK   3     80 TYR  HE      55 ILE  MG     4.5   6.55  -0.06
REMARK   3     80 TYR  HE      74 LEU 1HB     5.0   6.55   1.59
REMARK   3     80 TYR  HE      74 LEU 2HB     5.0   6.55   0.86
REMARK   3     80 TYR  HE      74 LEU  MD     4.0   6.55   0.22
REMARK   3     80 TYR  HE      74 LEU  MD     4.0   6.55  -0.22
REMARK   3     80 TYR  HE      76 THR  HB     5.0   6.55   3.87
REMARK   3     80 TYR  HE      77 LYS  HA     5.0   6.55   4.02
REMARK   3     80 TYR  HE      98 VAL  HB     3.5   6.55   2.42
REMARK   3     80 TYR  HE      98 VAL QMG     3.0   6.55   0.73|0.74
REMARK   3     80 TYR  H       79 THR  HA     2.4   9.72   5.30
REMARK   3     80 TYR  H       79 THR  HB     5.0   9.72   3.86 
REMARK   3     80 TYR  H       79 THR  H      4.3   9.72   8.39
REMARK   3     80 TYR  H       79 THR  MG     4.0   9.72   1.20
REMARK   3     80 TYR  H       80 TYR 1HB     4.0   9.72   3.66
REMARK   3     80 TYR  H       80 TYR 2HB     5.0   9.72   3.05
REMARK   3     80 TYR  H       80 TYR  HD     3.5   9.72   7.11
REMARK   3     80 TYR  H       96 VAL  H      4.3   9.72   9.08
REMARK   3     80 TYR  H       96 VAL  MG1    5.0   9.72   0.95
REMARK   3     80 TYR  H       97 THR  HA     4.3   9.72   4.92
REMARK   3     80 TYR  HH      47 PRO 1HB     5.0  10.16   1.47
REMARK   3     80 TYR  HH      47 PRO  HD     5.0  10.16   2.08
REMARK   3     80 TYR  HH      47 PRO  HG     5.0  10.16   1.35
REMARK   3     80 TYR  HH      47 PRO  HG     4.0  10.16   1.17
REMARK   3     80 TYR  HH      50 VAL  MG2    4.0  10.16   0.87
REMARK   3     80 TYR  HH      55 ILE  MG     5.5  10.16  -0.06
REMARK   3     80 TYR  HH      74 LEU  MD     5.0  10.16   0.22
REMARK   3     80 TYR  HH      74 LEU  MD     5.0  10.16  -0.22
REMARK   3     80 TYR  HH      75 ASP  H      5.0  10.16   8.48
REMARK   3     80 TYR  HH      76 THR  HB     3.5  10.16   3.87
REMARK   3     80 TYR  HH      76 THR  H      4.0  10.16   8.05
REMARK   3     80 TYR  HH      76 THR  MG     4.0  10.16   1.25
REMARK   3     80 TYR  HH      77 LYS  HA     5.0  10.16   4.02
REMARK   3     80 TYR  HH      77 LYS  H      5.0  10.16   8.86
REMARK   3     80 TYR  HH      98 VAL  HB     5.0  10.16   2.42
REMARK   3     80 TYR  HH      98 VAL QMG     4.0  10.16   0.73|0.74
REMARK   3     81 SER  HA      81 SER  HB     3.5   5.28   4.15
REMARK   3     81 SER  HA      95 LYS  HA     3.0   5.28   5.11
REMARK   3     81 SER  HA      95 LYS QHB     4.0   5.28   1.57 
REMARK   3     81 SER  HA      95 LYS QHG     4.0   5.28   1.32
REMARK   3     81 SER  H       80 TYR  HA     2.4   8.40   5.52
REMARK   3     81 SER  H       80 TYR 2HB     5.0   8.40   3.05
REMARK   3     81 SER  H       81 SER  HB     3.5   8.40   3.96
REMARK   3     82 PHE  HA      41 PHE  HA     2.4   5.34   4.68
REMARK   3     82 PHE  HA      41 PHE  HB     5.0   5.34   2.88
REMARK   3     82 PHE  HA      42 ASP 1HB     5.0   5.34   2.47
REMARK   3     82 PHE  HA      82 PHE 1HB     3.5   5.34   1.89
REMARK   3     82 PHE  HA      82 PHE 2HB     3.5   5.34   1.65
REMARK   3     82 PHE  HD      39 VAL  HA     5.0   6.28   4.11
REMARK   3     82 PHE  HD      39 VAL  MG1    4.0   6.28  -0.32
REMARK   3     82 PHE  HD      39 VAL  MG2    5.0   6.28   0.17
REMARK   3     82 PHE  HD      41 PHE  HA     5.0   6.28   4.68
REMARK   3     82 PHE  HD      80 TYR 1HB     5.0   6.28   3.66
REMARK   3     82 PHE  HD      80 TYR 2HB     5.0   6.28   3.05
REMARK   3     82 PHE  HD      83 TYR  HA     4.0   6.28   5.30 
REMARK   3     82 PHE  HD      94 GLY  HA     5.0   6.28   2.99
REMARK   3     82 PHE  HD      95 LYS  HA     5.0   6.28   5.11
REMARK   3     82 PHE  HD      96 VAL  HB     5.0   6.28   1.31
REMARK   3     82 PHE  HD      96 VAL  MG1    3.5   6.28   0.95
REMARK   3     82 PHE  HD      96 VAL  MG2    5.0   6.28   0.60
REMARK   3     82 PHE  HE      14 PHE 2HB     5.0   5.77   3.20
REMARK   3     82 PHE  HE      39 VAL  MG1    5.0   5.77  -0.32
REMARK   3     82 PHE  HE      94 GLY  HA     5.0   5.77   4.46
REMARK   3     82 PHE  HE      94 GLY  HA     5.0   5.77   2.99
REMARK   3     82 PHE  HE      95 LYS  HA     5.0   5.77   5.11
REMARK   3     82 PHE  HE      96 VAL  HA     5.0   5.77   4.91
REMARK   3     82 PHE  HE      96 VAL  HB     3.5   5.77   1.31
REMARK   3     82 PHE  HE      96 VAL  MG1    3.5   5.77   0.95
REMARK   3     82 PHE  HE      96 VAL  MG2    4.0   5.77   0.60
REMARK   3     82 PHE  H       81 SER  HA     2.4   8.10   5.28
REMARK   3     82 PHE  H       82 PHE 1HB     5.0   8.10   1.89
REMARK   3     82 PHE  H       82 PHE  HD     5.0   8.10   6.28
REMARK   3     82 PHE  H       95 LYS  HA     4.3   8.10   5.11
REMARK   3     82 PHE  HZ       3 VAL  MG1    5.0   6.93   1.11
REMARK   3     82 PHE  HZ      29 PHE  HE     4.0   6.93   6.73
REMARK   3     82 PHE  HZ      29 PHE  HZ     5.0   6.93   5.90
REMARK   3     82 PHE  HZ      94 GLY  HA     4.0   6.93   2.99
REMARK   3     82 PHE  HZ      96 VAL  HB     5.0   6.93   1.31
REMARK   3     82 PHE  HZ      96 VAL  MG1    5.0   6.93   0.95
REMARK   3     83 TYR  HA      83 TYR  HB     3.5   5.30   3.29 
REMARK   3     83 TYR  HA      83 TYR  HB     3.5   5.30   3.01 
REMARK   3     83 TYR  HA      93 VAL  HA     2.7   5.30   5.18
REMARK   3     83 TYR  HA      93 VAL  HB     5.0   5.30   2.36
REMARK   3     83 TYR  HA      93 VAL  MG1    5.0   5.30   1.04
REMARK   3     83 TYR  HA      93 VAL  MG2    5.0   5.30   0.88
REMARK   3     83 TYR  HB      93 VAL  MG1    3.5   3.29   1.04
REMARK   3     83 TYR  HB      93 VAL  MG1    4.0   3.01   1.04
REMARK   3     83 TYR  HD      40 VAL  HB     5.0   6.69   0.92
REMARK   3     83 TYR  HD      40 VAL  MG1    5.0   6.69   0.82
REMARK   3     83 TYR  HD      40 VAL  MG2    5.0   6.69   0.68
REMARK   3     83 TYR  HD      83 TYR  HA     4.0   6.69   5.30 
REMARK   3     83 TYR  HD      85 SER  HA     4.0   6.69   4.62
REMARK   3     83 TYR  HD      85 SER  HB     5.0   6.69   4.10
REMARK   3     83 TYR  HD      88 GLN  HA     5.0   6.69   3.94
REMARK   3     83 TYR  HD      88 GLN  HB     3.5   6.69   2.51
REMARK   3     83 TYR  HD      88 GLN  HB     4.0   6.69   2.16 
REMARK   3     83 TYR  HD      88 GLN  HG     5.0   6.69   1.90
REMARK   3     83 TYR  HE      40 VAL  HB     4.0   6.49   0.92
REMARK   3     83 TYR  HE      40 VAL  MG1    4.0   6.49   0.82
REMARK   3     83 TYR  HE      40 VAL  MG2    4.0   6.49   0.68
REMARK   3     83 TYR  HE      42 ASP 1HB     4.0   6.49   2.47
REMARK   3     83 TYR  HE      42 ASP 2HB     5.0   6.49   2.97
REMARK   3     83 TYR  HE      85 SER  HA     4.0   6.49   4.62
REMARK   3     83 TYR  HE      85 SER  HB     5.0   6.49   4.24
REMARK   3     83 TYR  HE      85 SER  HB     5.0   6.49   4.10
REMARK   3     83 TYR  H       39 VAL  MG1    5.0   9.42  -0.32
REMARK   3     83 TYR  H       40 VAL  H      3.5   9.42   8.88
REMARK   3     83 TYR  H       82 PHE  HA     2.7   9.42   5.34
REMARK   3     83 TYR  H       82 PHE 1HB     3.5   9.42   1.89
REMARK   3     83 TYR  H       82 PHE 2HB     4.0   9.42   1.65
REMARK   3     83 TYR  H       82 PHE  HD     5.0   9.42   6.28
REMARK   3     83 TYR  H       83 TYR  HB     5.0   9.42   3.29 
REMARK   3     83 TYR  H       83 TYR  HB     5.0   9.42   3.01 
REMARK   3     83 TYR  H       83 TYR  HD     5.0   9.42   6.69
REMARK   3     84 CYS  HA      39 VAL  HA     4.0   5.33   4.11
REMARK   3     84 CYS  HA      40 VAL  MG2    5.0   5.33   0.68
REMARK   3     84 CYS  HA      84 CYS 1HB     4.0   5.33   3.22
REMARK   3     84 CYS  HA      84 CYS 2HB     4.0   5.33   2.92
REMARK   3     84 CYS  HA      85 SER  HA     4.3   5.33   4.62
REMARK   3     84 CYS 1HB      92 MET  HG     5.0   3.22   2.23
REMARK   3     84 CYS 1HB      92 MET  ME     4.0   3.22   0.54
REMARK   3     84 CYS 2HB      92 MET  HB     5.0   2.92   2.31
REMARK   3     84 CYS 2HB      92 MET  HG     5.0   2.92   2.23
REMARK   3     84 CYS  H       14 PHE  HD     5.0   7.82   7.16
REMARK   3     84 CYS  H       14 PHE  HE     4.0   7.82   7.06
REMARK   3     84 CYS  H       83 TYR  HA     3.0   7.82   5.30 
REMARK   3     84 CYS  H       83 TYR  HB     4.0   7.82   3.29 
REMARK   3     84 CYS  H       83 TYR  HB     3.5   7.82   3.01 
REMARK   3     84 CYS  H       83 TYR  HD     5.0   7.82   6.69
REMARK   3     84 CYS  H       84 CYS 1HB     4.0   7.82   3.22
REMARK   3     84 CYS  H       84 CYS 2HB     4.0   7.82   2.92
REMARK   3     84 CYS  H       92 MET  HB     5.0   7.82   2.31
REMARK   3     85 SER  HA      85 SER  HB     4.0   4.62   4.24
REMARK   3     85 SER  HA      85 SER  HB     3.5   4.62   4.10
REMARK   3     85 SER  HB      40 VAL  MG2    3.5   4.10   0.68
REMARK   3     85 SER  HB      86 PRO  HD     4.0   4.10   3.28
REMARK   3     85 SER  H       38 ASN 1HD2    5.0   9.58   5.73
REMARK   3     85 SER  H       40 VAL  MG2    5.0   9.58   0.68
REMARK   3     85 SER  H       83 TYR  HD     5.0   9.58   6.69
REMARK   3     85 SER  H       84 CYS  HA     2.7   9.58   5.33 
REMARK   3     85 SER  H       85 SER  HB     4.0   9.58   4.24
REMARK   3     85 SER  H       85 SER  HB     4.0   9.58   4.10
REMARK   3     85 SER  H       86 PRO  HD     3.0   9.58   5.14
REMARK   3     86 PRO  HD      85 SER  HB     5.0   5.14   4.10
REMARK   3     87 HIS  HA      12 LEU  MD     5.0   5.17   0.56
REMARK   3     87 HIS  HA      87 HIS 1HB     3.5   5.17   3.90 
REMARK   3     87 HIS  HA      87 HIS 2HB     4.0   5.17   3.45
REMARK   3     87 HIS  HA      90 ALA  MB     4.0   5.17   1.62
REMARK   3     87 HIS 1HB      84 CYS 2HB     5.0   3.90   2.92
REMARK   3     87 HIS 1HB      90 ALA  MB     5.0   3.90   1.62
REMARK   3     87 HIS 1HB      92 MET  HB     4.0   3.90   2.31
REMARK   3     87 HIS 1HB      92 MET  HB     4.0   3.90   1.52
REMARK   3     87 HIS 2HB      12 LEU 2HB     5.0   3.45   1.00
REMARK   3     87 HIS 2HB      12 LEU  MD     4.0   3.45   0.56
REMARK   3     87 HIS 2HB      90 ALA  MB     4.0   3.45   1.62
REMARK   3     87 HIS 2HB      92 MET  HB     5.0   3.45   2.31
REMARK   3     87 HIS 2HB      92 MET  HB     4.0   3.45   1.52
REMARK   3     87 HIS  HD2     86 PRO 1HB     5.0   7.00   1.06
REMARK   3     87 HIS  HD2     90 ALA  MB     4.0   7.00   1.62
REMARK   3     87 HIS  HE1     12 LEU  MD     5.0   7.77   0.56
REMARK   3     87 HIS  HE1     12 LEU  MD     4.0   7.77   0.35
REMARK   3     87 HIS  HE1     37 HIS  HA     5.0   7.77   5.93
REMARK   3     87 HIS  HE1     37 HIS  HE1    4.0   7.77   7.16
REMARK   3     87 HIS  HE1     86 PRO 1HB     5.0   7.77   1.06
REMARK   3     87 HIS  H       86 PRO 2HB     5.0   8.37   1.86
REMARK   3     87 HIS  H       87 HIS 2HB     5.0   8.37   3.45
REMARK   3     88 GLN  HA      88 GLN  HB     3.0   3.94   2.51
REMARK   3     88 GLN  HA      88 GLN  HB     4.0   3.94   2.16 
REMARK   3     88 GLN  H       83 TYR  HD     5.0   8.50   6.69
REMARK   3     88 GLN  H       87 HIS  H      3.5   8.50   8.37
REMARK   3     88 GLN  H       88 GLN  HB     3.0   8.50   2.51
REMARK   3     88 GLN  H       88 GLN  HB     3.5   8.50   2.16 
REMARK   3     88 GLN 1HE2     88 GLN  HG     4.0   6.17   2.08
REMARK   3     88 GLN 1HE2     88 GLN  HG     5.0   6.17   1.90
REMARK   3     88 GLN 2HE2     83 TYR  HE     5.0   6.79   6.49
REMARK   3     88 GLN 2HE2     88 GLN  HG     5.0   6.79   2.08
REMARK   3     88 GLN 2HE2     88 GLN  HG     5.0   6.79   1.90
REMARK   3     89 GLY  H       88 GLN  HB     5.0   9.08   2.51
REMARK   3     89 GLY  H       88 GLN  HB     4.0   9.08   2.16 
REMARK   3     89 GLY  H       88 GLN  H      4.3   9.08   8.50
REMARK   3     89 GLY  H       90 ALA  H      3.5   9.08   7.59
REMARK   3     90 ALA  H       87 HIS  HA     4.3   7.59   5.17
REMARK   3     90 ALA  H       89 GLY  HA     4.3   7.59   3.92
REMARK   3     90 ALA  H       89 GLY  HA     4.3   7.59   3.82
REMARK   3     90 ALA  H       90 ALA  MB     3.5   7.59   1.62
REMARK   3     91 GLY  H       90 ALA  H      3.0   8.03   7.59
REMARK   3     91 GLY  H       90 ALA  MB     4.0   8.03   1.62
REMARK   3     91 GLY  H       92 MET  H      3.0   8.03   7.67
REMARK   3     92 MET  H       88 GLN  HA     3.5   7.67   3.94
REMARK   3     92 MET  H       90 ALA  MB     5.0   7.67   1.62
REMARK   3     92 MET  H       91 GLY  HA     4.3   7.67   3.82
REMARK   3     92 MET  H       92 MET  HB     5.0   7.67   2.31
REMARK   3     92 MET  H       92 MET  HB     4.0   7.67   1.52
REMARK   3     92 MET  H       92 MET  HG     5.0   7.67   2.23
REMARK   3     92 MET  H       93 VAL  MG1    4.0   7.67   1.04
REMARK   3     92 MET  H       93 VAL  MG2    5.0   7.67   0.88
REMARK   3     93 VAL  HA      83 TYR  HB     4.0   5.18   3.29 
REMARK   3     93 VAL  HA      83 TYR  HB     4.0   5.18   3.01 
REMARK   3     93 VAL  HA      93 VAL  MG1    3.5   5.18   1.04
REMARK   3     93 VAL  HA      93 VAL  MG2    4.0   5.18   0.88
REMARK   3     93 VAL  H       93 VAL  MG1    4.0   7.94   1.04
REMARK   3     93 VAL  H       93 VAL  MG2    3.5   7.94   0.88
REMARK   3     94 GLY  HA      93 VAL  MG2    5.0   4.46   0.88
REMARK   3     94 GLY  H       14 PHE  HE     5.0   8.38   7.06
REMARK   3     94 GLY  H       82 PHE  HD     5.0   8.38   6.28
REMARK   3     94 GLY  H       82 PHE  H      4.3   8.38   8.10
REMARK   3     94 GLY  H       93 VAL  HA     3.5   8.38   5.18
REMARK   3     94 GLY  H       93 VAL  HB     3.5   8.38   2.36
REMARK   3     94 GLY  H       93 VAL  MG1    4.0   8.38   1.04
REMARK   3     94 GLY  H       93 VAL  MG2    4.0   8.38   0.88
REMARK   3     95 LYS  H       18 GLU  HA     3.5   8.34   5.63
REMARK   3     95 LYS  H       82 PHE  HE     4.0   8.34   5.77
REMARK   3     95 LYS  H       82 PHE  HZ     5.0   8.34   6.93
REMARK   3     95 LYS  H       94 GLY  HA     3.5   8.34   4.46
REMARK   3     95 LYS  H       94 GLY  HA     3.0   8.34   2.99
REMARK   3     95 LYS  H       95 LYS QHB     3.5   8.34   1.57 
REMARK   3     95 LYS  H       95 LYS QHG     5.0   8.34   1.32
REMARK   3     96 VAL  HA      96 VAL  MG2    3.5   4.91   0.60
REMARK   3     96 VAL  H       79 THR  MG     5.0   9.08   1.20
REMARK   3     96 VAL  H       81 SER  HA     4.3   9.08   5.28
REMARK   3     96 VAL  H       82 PHE  HD     5.0   9.08   6.28
REMARK   3     96 VAL  H       82 PHE  HE     5.0   9.08   5.77
REMARK   3     96 VAL  H       95 LYS  HA     2.7   9.08   5.11
REMARK   3     96 VAL  H       95 LYS QHB     4.0   9.08   1.57 
REMARK   3     96 VAL  H       96 VAL  MG1    3.0   9.08   0.95
REMARK   3     96 VAL  H       96 VAL  MG2    5.0   9.08   0.60
REMARK   3     97 THR  HA      79 THR  MG     4.0   4.92   1.20
REMARK   3     97 THR  HA      97 THR  HB     4.0   4.92   3.93
REMARK   3     97 THR  HA      97 THR  MG     3.5   4.92   1.08
REMARK   3     97 THR  HA      98 VAL QMG     5.0   4.92   0.73|0.74
REMARK   3     97 THR  H       20 SER  HA     2.7   8.53   5.94
REMARK   3     97 THR  H       96 VAL  HA     2.7   8.53   4.91
REMARK   3     97 THR  H       96 VAL  HB     4.0   8.53   1.31
REMARK   3     97 THR  H       96 VAL  MG1    5.0   8.53   0.95
REMARK   3     97 THR  H       96 VAL  MG2    4.0   8.53   0.60
REMARK   3     97 THR  H       97 THR  HB     4.0   8.53   3.93
REMARK   3     98 VAL  HA      21 VAL  MG     5.0   5.04   0.98
REMARK   3     98 VAL  HA      96 VAL  MG2    5.0   5.04   0.60
REMARK   3     98 VAL  HA      97 THR  MG     5.0   5.04   1.08
REMARK   3     98 VAL  HA      98 VAL QMG     3.5   5.04   0.73|0.74
REMARK   3     98 VAL  H       77 LYS  HA     4.3   9.42   4.02
REMARK   3     98 VAL  H       78 GLY  H      3.5   9.42   8.62
REMARK   3     98 VAL  H       79 THR  HA     4.3   9.42   5.30
REMARK   3     98 VAL  H       80 TYR  HD     5.0   9.42   7.11
REMARK   3     98 VAL  H       80 TYR  HE     5.0   9.42   6.55
REMARK   3     98 VAL  H       97 THR  HA     2.7   9.42   4.92
REMARK   3     98 VAL  H       97 THR  MG     4.0   9.42   1.08
REMARK   3     98 VAL  H       98 VAL  HB     3.5   9.42   2.42
REMARK   3     98 VAL  H       98 VAL QMG     3.5   9.42   0.73|0.74
REMARK   3     99 ASN  H       21 VAL  H      4.3   9.01   8.86
REMARK   3     99 ASN  H       22 PRO  HA     4.3   9.01   4.87
REMARK   3     99 ASN  H       23 SER  H      4.3   9.01   8.56
REMARK   3     99 ASN  H       98 VAL  HA     2.7   9.01   5.04
REMARK   3     99 ASN  H       98 VAL QMG     4.0   9.01   0.73|0.74
REMARK   3     99 ASN  H       99 ASN  HB     5.0   9.01   2.71
REMARK   3     99 ASN 1HD2     20 SER  HB     5.0   6.55   3.75
REMARK   3     99 ASN 1HD2     97 THR  MG     5.0   6.55   1.08
REMARK   3     99 ASN 1HD2     99 ASN  HB     5.0   6.55   2.71
REMARK   3     99 ASN 1HD2     99 ASN  HB     5.0   6.55   2.59
REMARK   3     99 ASN 2HD2     20 SER  HB     5.0   7.29   3.75
REMARK   3     99 ASN 2HD2     99 ASN  HB     5.0   7.29   2.71
REMARK   3     99 ASN 2HD2     99 ASN  HB     5.0   7.29   2.59


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 715 H/Q atoms
  Start of MODEL    1
    1    H    LEU   1           H        LEU   1   3.278  -9.850  -3.140
    2    HA   LEU   1           HA       LEU   1   2.549 -11.844  -1.373
    3   1HB   LEU   1          1HB       LEU   1   4.206 -10.968   0.139
    4   2HB   LEU   1          2HB       LEU   1   3.464  -9.365   0.154
    5    HG   LEU   1           HG       LEU   1   1.764 -11.723   0.973
    6   1HD1  LEU   1          1HD1      LEU   1   3.937 -10.532   2.743
    7   2HD1  LEU   1          2HD1      LEU   1   2.643 -11.626   3.283
    8   3HD1  LEU   1          3HD1      LEU   1   3.864 -12.201   2.134
    9   1HD2  LEU   1          1HD2      LEU   1   0.782 -10.133   2.510
   10   2HD2  LEU   1          2HD2      LEU   1   2.092  -8.969   2.252
   11   3HD2  LEU   1          3HD2      LEU   1   0.932  -9.289   0.963
   12    H    GLU   2           H        GLU   2   0.355 -11.707  -0.774
   13    HA   GLU   2           HA       GLU   2  -1.148  -9.598  -2.190
   14   1HB   GLU   2          1HB       GLU   2  -1.464 -12.199  -2.403
   15   2HB   GLU   2          2HB       GLU   2  -2.416 -12.021  -0.923
   16   1HG   GLU   2          1HG       GLU   2  -2.845 -10.622  -3.612
   17   2HG   GLU   2          2HG       GLU   2  -3.835 -11.915  -2.928
   18    H    VAL   3           H        VAL   3  -1.877  -7.917  -1.069
   19    HA   VAL   3           HA       VAL   3  -2.318  -8.083   1.865
   20    HB   VAL   3           HB       VAL   3  -1.887  -5.653   0.099
   21   1HG1  VAL   3          1HG1      VAL   3  -1.436  -4.509   2.268
   22   2HG1  VAL   3          2HG1      VAL   3  -3.086  -5.146   2.205
   23   3HG1  VAL   3          3HG1      VAL   3  -1.831  -5.999   3.126
   24   1HG2  VAL   3          1HG2      VAL   3   0.150  -7.103   1.823
   25   2HG2  VAL   3          2HG2      VAL   3   0.176  -6.945   0.053
   26   3HG2  VAL   3          3HG2      VAL   3   0.375  -5.514   1.066
   27    H    LEU   4           H        LEU   4  -4.416  -7.873   2.571
   28    HA   LEU   4           HA       LEU   4  -6.522  -7.134   0.581
   29   1HB   LEU   4          1HB       LEU   4  -6.685  -8.370   3.345
   30   2HB   LEU   4          2HB       LEU   4  -8.076  -7.880   2.389
   31    HG   LEU   4           HG       LEU   4  -6.047 -10.027   1.638
   32   1HD1  LEU   4          1HD1      LEU   4  -7.940 -11.554   1.989
   33   2HD1  LEU   4          2HD1      LEU   4  -7.662 -10.604   3.460
   34   3HD1  LEU   4          3HD1      LEU   4  -9.005 -10.187   2.371
   35   1HD2  LEU   4          1HD2      LEU   4  -6.861  -9.013  -0.447
   36   2HD2  LEU   4          2HD2      LEU   4  -7.661 -10.564  -0.209
   37   3HD2  LEU   4          3HD2      LEU   4  -8.537  -9.063   0.145
   38    H    LEU   5           H        LEU   5  -7.367  -5.196   0.533
   39    HA   LEU   5           HA       LEU   5  -6.685  -3.191   2.583
   40   1HB   LEU   5          1HB       LEU   5  -8.310  -2.939   0.057
   41   2HB   LEU   5          2HB       LEU   5  -7.700  -1.624   1.056
   42    HG   LEU   5           HG       LEU   5  -5.914  -3.600  -0.450
   43   1HD1  LEU   5          1HD1      LEU   5  -6.744  -0.767  -1.171
   44   2HD1  LEU   5          2HD1      LEU   5  -5.533  -1.737  -2.024
   45   3HD1  LEU   5          3HD1      LEU   5  -7.221  -2.255  -2.020
   46   1HD2  LEU   5          1HD2      LEU   5  -4.200  -1.819  -0.002
   47   2HD2  LEU   5          2HD2      LEU   5  -5.367  -1.001   1.050
   48   3HD2  LEU   5          3HD2      LEU   5  -4.785  -2.636   1.458
   49    H    GLY   6           H        GLY   6  -7.808  -3.686   4.412
   50   1HA   GLY   6          1HA       GLY   6  -9.664  -3.229   5.678
   51   2HA   GLY   6          2HA       GLY   6 -10.782  -3.609   4.360
   52    H    SER   7           H        SER   7 -10.249  -4.789   7.265
   53    HA   SER   7           HA       SER   7  -9.509  -7.567   6.681
   54   1HB   SER   7          1HB       SER   7  -9.919  -7.777   9.159
   55   2HB   SER   7          2HB       SER   7  -8.761  -6.547   8.611
   56    HG   SER   7           HG       SER   7 -11.445  -6.088   9.411
   57    H    GLY   8           H        GLY   8 -11.627  -6.843   5.205
   58   1HA   GLY   8          1HA       GLY   8 -13.606  -7.763   4.388
   59   2HA   GLY   8          2HA       GLY   8 -13.575  -8.922   5.723
   60    H    ASP   9           H        ASP   9 -13.795  -7.483   7.940
   61    HA   ASP   9           HA       ASP   9 -16.589  -6.797   8.008
   62   1HB   ASP   9          1HB       ASP   9 -16.303  -6.723  10.359
   63   2HB   ASP   9          2HB       ASP   9 -15.272  -8.036   9.787
   64    H    GLY  10           H        GLY  10 -15.149  -4.927   6.350
   65   1HA   GLY  10          1HA       GLY  10 -15.332  -2.700   5.832
   66   2HA   GLY  10          2HA       GLY  10 -16.307  -2.477   7.286
   67    H    SER  11           H        SER  11 -13.856  -3.620   8.846
   68    HA   SER  11           HA       SER  11 -12.931  -1.124   9.736
   69   1HB   SER  11          1HB       SER  11 -12.786  -3.076  11.123
   70   2HB   SER  11          2HB       SER  11 -11.524  -3.777  10.078
   71    HG   SER  11           HG       SER  11 -10.611  -2.679  11.859
   72    H    LEU  12           H        LEU  12 -11.449   0.216   9.170
   73    HA   LEU  12           HA       LEU  12 -10.201   0.058   6.559
   74   1HB   LEU  12          1HB       LEU  12 -10.118   2.172   8.765
   75   2HB   LEU  12          2HB       LEU  12  -9.641   2.424   7.086
   76    HG   LEU  12           HG       LEU  12 -12.483   1.695   7.974
   77   1HD1  LEU  12          1HD1      LEU  12 -11.888   3.861   8.859
   78   2HD1  LEU  12          2HD1      LEU  12 -11.245   4.378   7.291
   79   3HD1  LEU  12          3HD1      LEU  12 -12.987   4.070   7.485
   80   1HD2  LEU  12          1HD2      LEU  12 -11.315   2.548   5.304
   81   2HD2  LEU  12          2HD2      LEU  12 -12.074   0.994   5.693
   82   3HD2  LEU  12          3HD2      LEU  12 -13.053   2.465   5.666
   83    H    VAL  13           H        VAL  13  -8.937  -1.878   7.356
   84    HA   VAL  13           HA       VAL  13  -6.230  -0.897   8.208
   85    HB   VAL  13           HB       VAL  13  -5.900  -2.987   9.451
   86   1HG1  VAL  13          1HG1      VAL  13  -6.596  -0.899  10.603
   87   2HG1  VAL  13          2HG1      VAL  13  -8.297  -1.391  10.455
   88   3HG1  VAL  13          3HG1      VAL  13  -7.175  -2.357  11.428
   89   1HG2  VAL  13          1HG2      VAL  13  -7.806  -4.381  10.121
   90   2HG2  VAL  13          2HG2      VAL  13  -8.897  -3.450   9.083
   91   3HG2  VAL  13          3HG2      VAL  13  -7.599  -4.428   8.365
   92    H    PHE  14           H        PHE  14  -4.473  -1.758   7.229
   93    HA   PHE  14           HA       PHE  14  -4.885  -3.233   4.695
   94   1HB   PHE  14          1HB       PHE  14  -2.473  -2.033   6.130
   95   2HB   PHE  14          2HB       PHE  14  -2.311  -3.101   4.758
   96    HD1  PHE  14           HD1      PHE  14  -3.276   0.294   5.803
   97    HD2  PHE  14           HD2      PHE  14  -2.641  -2.397   2.491
   98    HE1  PHE  14           HE1      PHE  14  -3.026   2.207   4.245
   99    HE2  PHE  14           HE2      PHE  14  -2.294  -0.505   1.018
  100    HZ   PHE  14           HZ       PHE  14  -2.647   1.826   1.828
  101    H    VAL  15           H        VAL  15  -4.693  -5.493   4.657
  102    HA   VAL  15           HA       VAL  15  -3.542  -6.817   7.093
  103    HB   VAL  15           HB       VAL  15  -5.703  -7.807   5.237
  104   1HG1  VAL  15          1HG1      VAL  15  -4.347  -9.639   6.219
  105   2HG1  VAL  15          2HG1      VAL  15  -4.571  -8.938   7.836
  106   3HG1  VAL  15          3HG1      VAL  15  -5.959  -9.585   6.938
  107   1HG2  VAL  15          1HG2      VAL  15  -6.595  -5.994   6.584
  108   2HG2  VAL  15          2HG2      VAL  15  -7.154  -7.540   7.230
  109   3HG2  VAL  15          3HG2      VAL  15  -5.846  -6.665   8.052
  110    HA   PRO  16           HA       PRO  16  -1.556  -7.400   7.574
  111   1HB   PRO  16          1HB       PRO  16   1.176  -7.164   6.578
  112   2HB   PRO  16          2HB       PRO  16   0.511  -8.344   7.731
  113   1HG   PRO  16          1HG       PRO  16   1.328  -9.055   5.184
  114   2HG   PRO  16          2HG       PRO  16  -0.017  -9.869   6.040
  115   1HD   PRO  16          1HD       PRO  16  -0.191  -7.635   4.012
  116   2HD   PRO  16          2HD       PRO  16  -1.109  -9.168   4.058
  117    H    SER  17           H        SER  17  -0.354  -5.555   8.532
  118    HA   SER  17           HA       SER  17  -0.460  -3.064   6.875
  119   1HB   SER  17          1HB       SER  17  -1.938  -3.004   8.801
  120   2HB   SER  17          2HB       SER  17  -0.641  -3.536   9.879
  121    HG   SER  17           HG       SER  17  -0.898  -1.029   8.572
  122    H    GLU  18           H        GLU  18   1.443  -4.496   9.575
  123    HA   GLU  18           HA       GLU  18   3.896  -3.199   8.536
  124   1HB   GLU  18          1HB       GLU  18   3.200  -2.741  10.862
  125   2HB   GLU  18          2HB       GLU  18   3.318  -4.466  11.244
  126   1HG   GLU  18          1HG       GLU  18   5.649  -2.783  10.194
  127   2HG   GLU  18          2HG       GLU  18   5.302  -3.012  11.911
  128    H    PHE  19           H        PHE  19   5.351  -4.587   7.440
  129    HA   PHE  19           HA       PHE  19   5.603  -7.343   8.270
  130   1HB   PHE  19          1HB       PHE  19   4.767  -8.467   6.303
  131   2HB   PHE  19          2HB       PHE  19   3.496  -7.561   7.049
  132    HD1  PHE  19           HD1      PHE  19   2.887  -5.211   6.038
  133    HD2  PHE  19           HD2      PHE  19   5.054  -8.320   3.966
  134    HE1  PHE  19           HE1      PHE  19   1.996  -4.409   3.885
  135    HE2  PHE  19           HE2      PHE  19   4.179  -7.468   1.813
  136    HZ   PHE  19           HZ       PHE  19   2.704  -5.480   1.757
  137    H    SER  20           H        SER  20   6.794  -8.602   6.312
  138    HA   SER  20           HA       SER  20   9.042  -6.944   5.342
  139   1HB   SER  20          1HB       SER  20   9.046  -9.479   7.021
  140   2HB   SER  20          2HB       SER  20  10.324  -9.223   5.841
  141    HG   SER  20           HG       SER  20   9.624  -7.417   7.922
  142    H    VAL  21           H        VAL  21   9.901  -7.634   3.365
  143    HA   VAL  21           HA       VAL  21   8.760 -10.000   2.024
  144    HB   VAL  21           HB       VAL  21   8.317  -8.680   0.000
  145   1HG1  VAL  21          1HG1      VAL  21   6.463  -9.140   1.592
  146   2HG1  VAL  21          2HG1      VAL  21   6.741  -7.534   2.310
  147   3HG1  VAL  21          3HG1      VAL  21   6.229  -7.676   0.617
  148   1HG2  VAL  21          1HG2      VAL  21   8.932  -6.228   1.677
  149   2HG2  VAL  21          2HG2      VAL  21   9.768  -6.775   0.208
  150   3HG2  VAL  21          3HG2      VAL  21   8.106  -6.200   0.107
  151    HA   PRO  22           HA       PRO  22  13.031  -9.993   0.705
  152   1HB   PRO  22          1HB       PRO  22  13.012 -11.550  -1.534
  153   2HB   PRO  22          2HB       PRO  22  12.653 -12.216   0.086
  154   1HG   PRO  22          1HG       PRO  22  10.667 -11.302  -2.017
  155   2HG   PRO  22          2HG       PRO  22  10.680 -12.857  -1.141
  156   1HD   PRO  22          1HD       PRO  22   9.119 -10.793  -0.303
  157   2HD   PRO  22          2HD       PRO  22   9.956 -11.835   0.871
  158    H    SER  23           H        SER  23  14.436  -9.104  -0.911
  159    HA   SER  23           HA       SER  23  13.618  -6.716  -2.183
  160   1HB   SER  23          1HB       SER  23  15.966  -8.528  -2.861
  161   2HB   SER  23          2HB       SER  23  15.794  -6.823  -3.318
  162    HG   SER  23           HG       SER  23  15.609  -7.616  -0.602
  163    H    GLY  24           H        GLY  24  12.499  -6.314  -4.007
  164   1HA   GLY  24          1HA       GLY  24  11.887  -6.552  -6.241
  165   2HA   GLY  24          2HA       GLY  24  12.625  -8.152  -6.316
  166    H    GLU  25           H        GLU  25  10.605  -7.898  -3.501
  167    HA   GLU  25           HA       GLU  25   8.781  -9.746  -4.591
  168   1HB   GLU  25          1HB       GLU  25   9.171  -9.473  -2.177
  169   2HB   GLU  25          2HB       GLU  25   8.384  -7.886  -2.220
  170   1HG   GLU  25          1HG       GLU  25   6.839  -9.631  -1.352
  171   2HG   GLU  25          2HG       GLU  25   6.228  -8.956  -2.846
  172    H    LYS  26           H        LYS  26   6.832  -9.593  -5.493
  173    HA   LYS  26           HA       LYS  26   5.853  -7.015  -6.555
  174   1HB   LYS  26          1HB       LYS  26   4.391  -8.598  -7.870
  175   2HB   LYS  26          2HB       LYS  26   6.113  -8.525  -8.263
  176   1HG   LYS  26          1HG       LYS  26   6.534 -10.666  -7.191
  177   2HG   LYS  26          2HG       LYS  26   4.897 -10.707  -6.513
  178   1HD   LYS  26          1HD       LYS  26   5.045 -12.191  -8.416
  179   2HD   LYS  26          2HD       LYS  26   3.944 -10.856  -8.790
  180   1HE   LYS  26          1HE       LYS  26   5.691  -9.752 -10.139
  181   2HE   LYS  26          2HE       LYS  26   6.876 -10.983  -9.657
  182   1HZ   LYS  26          1HZ       LYS  26   4.432 -11.467 -11.211
  183   2HZ   LYS  26          2HZ       LYS  26   5.964 -11.397 -11.811
  184   3HZ   LYS  26          3HZ       LYS  26   5.541 -12.608 -10.778
  185    H    ILE  27           H        ILE  27   4.838  -6.068  -4.810
  186    HA   ILE  27           HA       ILE  27   3.071  -7.665  -3.109
  187    HB   ILE  27           HB       ILE  27   3.448  -4.664  -3.129
  188   1HG1  ILE  27          1HG1      ILE  27   4.908  -6.808  -1.506
  189   2HG1  ILE  27          2HG1      ILE  27   5.629  -5.802  -2.773
  190   1HG2  ILE  27          1HG2      ILE  27   2.514  -4.818  -0.846
  191   2HG2  ILE  27          2HG2      ILE  27   1.392  -5.548  -1.973
  192   3HG2  ILE  27          3HG2      ILE  27   2.434  -6.585  -0.981
  193   1HD1  ILE  27          1HD1      ILE  27   4.564  -4.809  -0.113
  194   2HD1  ILE  27          2HD1      ILE  27   6.236  -4.870  -0.680
  195   3HD1  ILE  27          3HD1      ILE  27   5.085  -3.758  -1.450
  196    H    VAL  28           H        VAL  28   0.863  -7.730  -3.300
  197    HA   VAL  28           HA       VAL  28  -0.474  -6.202  -5.493
  198    HB   VAL  28           HB       VAL  28  -1.005  -9.014  -4.427
  199   1HG1  VAL  28          1HG1      VAL  28  -3.114  -7.914  -5.030
  200   2HG1  VAL  28          2HG1      VAL  28  -2.430  -7.397  -6.585
  201   3HG1  VAL  28          3HG1      VAL  28  -2.699  -9.121  -6.252
  202   1HG2  VAL  28          1HG2      VAL  28   0.967  -8.961  -5.911
  203   2HG2  VAL  28          2HG2      VAL  28  -0.397  -9.774  -6.685
  204   3HG2  VAL  28          3HG2      VAL  28   0.015  -8.113  -7.148
  205    H    PHE  29           H        PHE  29  -2.174  -4.987  -4.728
  206    HA   PHE  29           HA       PHE  29  -3.096  -5.372  -1.896
  207   1HB   PHE  29          1HB       PHE  29  -2.757  -2.833  -3.513
  208   2HB   PHE  29          2HB       PHE  29  -3.559  -2.943  -1.959
  209    HD1  PHE  29           HD1      PHE  29  -2.303  -3.251   0.122
  210    HD2  PHE  29           HD2      PHE  29  -0.309  -2.935  -3.682
  211    HE1  PHE  29           HE1      PHE  29  -0.202  -2.585   1.282
  212    HE2  PHE  29           HE2      PHE  29   1.810  -2.357  -2.500
  213    HZ   PHE  29           HZ       PHE  29   1.851  -2.161  -0.027
  214    H    LYS  30           H        LYS  30  -5.247  -5.981  -1.878
  215    HA   LYS  30           HA       LYS  30  -6.907  -5.313  -4.295
  216   1HB   LYS  30          1HB       LYS  30  -6.292  -7.705  -4.089
  217   2HB   LYS  30          2HB       LYS  30  -7.060  -7.725  -2.499
  218   1HG   LYS  30          1HG       LYS  30  -9.251  -7.349  -3.433
  219   2HG   LYS  30          2HG       LYS  30  -8.568  -6.864  -4.985
  220   1HD   LYS  30          1HD       LYS  30  -9.563  -9.037  -5.173
  221   2HD   LYS  30          2HD       LYS  30  -7.825  -9.171  -5.435
  222   1HE   LYS  30          1HE       LYS  30  -9.078  -9.719  -2.704
  223   2HE   LYS  30          2HE       LYS  30  -9.030 -10.954  -3.969
  224   1HZ   LYS  30          1HZ       LYS  30  -6.664  -9.620  -2.877
  225   2HZ   LYS  30          2HZ       LYS  30  -7.175 -11.143  -2.522
  226   3HZ   LYS  30          3HZ       LYS  30  -6.678 -10.776  -4.049
  227    H    ASN  31           H        ASN  31  -8.833  -4.368  -4.038
  228    HA   ASN  31           HA       ASN  31  -9.658  -3.258  -1.500
  229   1HB   ASN  31          1HB       ASN  31 -10.795  -3.367  -4.312
  230   2HB   ASN  31          2HB       ASN  31 -11.866  -2.997  -2.958
  231   1HD2  ASN  31          1HD2      ASN  31 -11.066   0.329  -3.802
  232   2HD2  ASN  31          2HD2      ASN  31 -12.117  -0.998  -4.291
  233    H    ASN  32           H        ASN  32 -10.078  -4.737   0.077
  234    HA   ASN  32           HA       ASN  32 -11.764  -7.078  -0.495
  235   1HB   ASN  32          1HB       ASN  32  -9.745  -7.133   0.969
  236   2HB   ASN  32          2HB       ASN  32 -10.586  -6.109   2.124
  237   1HD2  ASN  32          1HD2      ASN  32 -11.407  -9.209   3.655
  238   2HD2  ASN  32          2HD2      ASN  32 -10.330  -7.807   3.692
  239    H    ALA  33           H        ALA  33 -11.782  -4.360   1.805
  240    HA   ALA  33           HA       ALA  33 -14.627  -3.796   1.395
  241   1HB   ALA  33          1HB       ALA  33 -15.305  -4.310   3.725
  242   2HB   ALA  33          2HB       ALA  33 -14.775  -5.780   2.893
  243   3HB   ALA  33          3HB       ALA  33 -13.691  -4.978   4.052
  244    H    GLY  34           H        GLY  34 -15.326  -1.979   2.941
  245   1HA   GLY  34          1HA       GLY  34 -14.954   0.049   3.946
  246   2HA   GLY  34          2HA       GLY  34 -13.359  -0.531   4.441
  247    H    PHE  35           H        PHE  35 -14.114  -0.584   1.042
  248    HA   PHE  35           HA       PHE  35 -12.050   1.320   0.295
  249   1HB   PHE  35          1HB       PHE  35 -12.806   0.705  -2.005
  250   2HB   PHE  35          2HB       PHE  35 -12.423  -0.624  -0.972
  251    HD1  PHE  35           HD2      PHE  35 -15.260   1.437  -2.216
  252    HD2  PHE  35           HD1      PHE  35 -13.942  -2.353  -0.649
  253    HE1  PHE  35           HE2      PHE  35 -17.594   0.548  -2.392
  254    HE2  PHE  35           HE1      PHE  35 -16.295  -3.199  -0.694
  255    HZ   PHE  35           HZ       PHE  35 -18.110  -1.752  -1.574
  256    HA   PRO  36           HA       PRO  36 -12.474   2.666  -2.141
  257   1HB   PRO  36          1HB       PRO  36 -11.748   5.166  -2.678
  258   2HB   PRO  36          2HB       PRO  36 -13.394   4.599  -3.016
  259   1HG   PRO  36          1HG       PRO  36 -12.557   6.067  -0.507
  260   2HG   PRO  36          2HG       PRO  36 -13.860   6.515  -1.655
  261   1HD   PRO  36          1HD       PRO  36 -14.431   5.020   0.530
  262   2HD   PRO  36          2HD       PRO  36 -15.168   4.597  -1.040
  263    H    HIS  37           H        HIS  37 -10.203   2.765  -2.538
  264    HA   HIS  37           HA       HIS  37  -8.511   3.660  -0.320
  265   1HB   HIS  37          1HB       HIS  37  -8.464   0.813  -1.383
  266   2HB   HIS  37          2HB       HIS  37  -7.403   1.443  -0.134
  267    HD2  HIS  37           HD2      HIS  37 -10.084  -0.913  -0.401
  268    HE1  HIS  37           HE1      HIS  37 -10.420   0.525   3.558
  269    HE2  HIS  37           HE2      HIS  37 -10.917  -1.403   1.985
  270    H    ASN  38           H        ASN  38  -6.160   3.282  -0.789
  271    HA   ASN  38           HA       ASN  38  -5.264   2.790  -3.428
  272   1HB   ASN  38          1HB       ASN  38  -4.341   5.024  -3.899
  273   2HB   ASN  38          2HB       ASN  38  -6.095   5.044  -3.870
  274   1HD2  ASN  38          1HD2      ASN  38  -5.467   8.058  -2.063
  275   2HD2  ASN  38          2HD2      ASN  38  -5.662   7.440  -3.703
  276    H    VAL  39           H        VAL  39  -2.738   3.405  -3.282
  277    HA   VAL  39           HA       VAL  39  -1.791   2.989  -0.487
  278    HB   VAL  39           HB       VAL  39  -0.800   1.414  -2.896
  279   1HG1  VAL  39          1HG1      VAL  39   0.844   1.857  -1.048
  280   2HG1  VAL  39          2HG1      VAL  39  -0.285   1.097   0.095
  281   3HG1  VAL  39          3HG1      VAL  39   0.432   0.151  -1.223
  282   1HG2  VAL  39          1HG2      VAL  39  -1.861  -0.536  -1.606
  283   2HG2  VAL  39          2HG2      VAL  39  -2.799   0.674  -0.725
  284   3HG2  VAL  39          3HG2      VAL  39  -2.976   0.518  -2.483
  285    H    VAL  40           H        VAL  40  -0.851   4.926  -0.189
  286    HA   VAL  40           HA       VAL  40   0.960   6.006  -2.307
  287    HB   VAL  40           HB       VAL  40  -0.434   7.411   0.012
  288   1HG1  VAL  40          1HG1      VAL  40   1.707   8.483  -0.584
  289   2HG1  VAL  40          2HG1      VAL  40   1.269   8.471  -2.298
  290   3HG1  VAL  40          3HG1      VAL  40   0.361   9.478  -1.158
  291   1HG2  VAL  40          1HG2      VAL  40  -1.046   7.463  -2.975
  292   2HG2  VAL  40          2HG2      VAL  40  -2.081   6.768  -1.706
  293   3HG2  VAL  40          3HG2      VAL  40  -1.791   8.506  -1.746
  294    H    PHE  41           H        PHE  41   3.138   6.206  -1.726
  295    HA   PHE  41           HA       PHE  41   3.869   5.060   0.911
  296   1HB   PHE  41          1HB       PHE  41   5.382   5.461  -1.642
  297   2HB   PHE  41          2HB       PHE  41   6.160   5.052  -0.127
  298    HD1  PHE  41           HD1      PHE  41   3.616   3.815  -2.546
  299    HD2  PHE  41           HD2      PHE  41   6.090   2.876   0.822
  300    HE1  PHE  41           HE1      PHE  41   2.971   1.424  -2.757
  301    HE2  PHE  41           HE2      PHE  41   5.584   0.450   0.521
  302    HZ   PHE  41           HZ       PHE  41   3.971  -0.265  -1.225
  303    H    ASP  42           H        ASP  42   4.960   6.173   2.441
  304    HA   ASP  42           HA       ASP  42   4.761   9.068   2.378
  305   1HB   ASP  42          1HB       ASP  42   4.428   7.811   4.437
  306   2HB   ASP  42          2HB       ASP  42   6.061   7.141   4.328
  307    H    GLU  43           H        GLU  43   6.093  10.215   1.129
  308    HA   GLU  43           HA       GLU  43   8.350   9.444  -0.184
  309   1HB   GLU  43          1HB       GLU  43   8.815  11.855  -0.487
  310   2HB   GLU  43          2HB       GLU  43   7.141  11.386  -0.816
  311   1HG   GLU  43          1HG       GLU  43   6.441  12.269   1.414
  312   2HG   GLU  43          2HG       GLU  43   8.121  12.713   1.757
  313    H    ASP  44           H        ASP  44   8.338  10.517   3.185
  314    HA   ASP  44           HA       ASP  44  11.267  10.795   3.231
  315   1HB   ASP  44          1HB       ASP  44   9.911  12.226   4.665
  316   2HB   ASP  44          2HB       ASP  44   9.178  10.821   5.453
  317    H    GLU  45           H        GLU  45   8.817   8.543   4.546
  318    HA   GLU  45           HA       GLU  45  10.836   6.695   5.546
  319   1HB   GLU  45          1HB       GLU  45   7.832   6.394   5.408
  320   2HB   GLU  45          2HB       GLU  45   8.966   5.414   6.349
  321   1HG   GLU  45          1HG       GLU  45   9.571   7.336   7.734
  322   2HG   GLU  45          2HG       GLU  45   8.528   8.408   6.798
  323    H    ILE  46           H        ILE  46  11.515   6.803   3.036
  324    HA   ILE  46           HA       ILE  46  11.076   4.074   2.085
  325    HB   ILE  46           HB       ILE  46  10.844   4.853  -0.296
  326   1HG1  ILE  46          1HG1      ILE  46   9.997   7.488   0.937
  327   2HG1  ILE  46          2HG1      ILE  46  11.510   7.216   0.060
  328   1HG2  ILE  46          1HG2      ILE  46   8.413   5.546   1.379
  329   2HG2  ILE  46          2HG2      ILE  46   8.472   4.979  -0.303
  330   3HG2  ILE  46          3HG2      ILE  46   8.945   3.898   0.995
  331   1HD1  ILE  46          1HD1      ILE  46   8.702   7.103  -1.071
  332   2HD1  ILE  46          2HD1      ILE  46  10.033   8.198  -1.499
  333   3HD1  ILE  46          3HD1      ILE  46  10.127   6.483  -1.934
  334    HA   PRO  47           HA       PRO  47  15.406   4.799   1.394
  335   1HB   PRO  47          1HB       PRO  47  16.071   2.936  -0.515
  336   2HB   PRO  47          2HB       PRO  47  15.766   2.587   1.205
  337   1HG   PRO  47          1HG       PRO  47  13.890   2.249  -1.142
  338   2HG   PRO  47          2HG       PRO  47  14.149   1.148   0.248
  339   1HD   PRO  47          1HD       PRO  47  12.039   2.934   0.058
  340   2HD   PRO  47          2HD       PRO  47  12.731   2.403   1.615
  341    H    ALA  48           H        ALA  48  15.955   6.570   0.457
  342    HA   ALA  48           HA       ALA  48  14.909   8.172  -1.378
  343   1HB   ALA  48          1HB       ALA  48  17.130   9.191  -1.678
  344   2HB   ALA  48          2HB       ALA  48  16.851   8.729   0.011
  345   3HB   ALA  48          3HB       ALA  48  17.900   7.730  -1.022
  346    H    GLY  49           H        GLY  49  17.061   5.497  -2.339
  347   1HA   GLY  49          1HA       GLY  49  17.552   6.105  -5.006
  348   2HA   GLY  49          2HA       GLY  49  17.365   4.464  -4.366
  349    H    VAL  50           H        VAL  50  14.538   4.760  -3.582
  350    HA   VAL  50           HA       VAL  50  13.322   4.592  -6.311
  351    HB   VAL  50           HB       VAL  50  12.368   3.427  -3.672
  352   1HG1  VAL  50          1HG1      VAL  50  10.555   3.956  -5.311
  353   2HG1  VAL  50          2HG1      VAL  50  11.421   3.032  -6.552
  354   3HG1  VAL  50          3HG1      VAL  50  10.782   2.208  -5.116
  355   1HG2  VAL  50          1HG2      VAL  50  13.779   2.132  -6.050
  356   2HG2  VAL  50          2HG2      VAL  50  14.404   2.270  -4.392
  357   3HG2  VAL  50          3HG2      VAL  50  12.999   1.248  -4.725
  358    H    ASP  51           H        ASP  51  12.585   6.638  -6.798
  359    HA   ASP  51           HA       ASP  51  11.578   8.473  -4.867
  360   1HB   ASP  51          1HB       ASP  51  12.361   9.165  -7.097
  361   2HB   ASP  51          2HB       ASP  51  11.007   8.313  -7.859
  362    H    ALA  52           H        ALA  52   9.584   8.737  -4.027
  363    HA   ALA  52           HA       ALA  52   7.751   6.779  -3.604
  364   1HB   ALA  52          1HB       ALA  52   7.066   9.737  -3.748
  365   2HB   ALA  52          2HB       ALA  52   6.219   8.473  -2.822
  366   3HB   ALA  52          3HB       ALA  52   7.869   8.944  -2.379
  367    H    VAL  53           H        VAL  53   7.600   9.076  -6.338
  368    HA   VAL  53           HA       VAL  53   4.988   8.436  -7.211
  369    HB   VAL  53           HB       VAL  53   7.439   9.322  -8.793
  370   1HG1  VAL  53          1HG1      VAL  53   5.800   8.455 -10.379
  371   2HG1  VAL  53          2HG1      VAL  53   4.492   9.345  -9.567
  372   3HG1  VAL  53          3HG1      VAL  53   5.774  10.217 -10.431
  373   1HG2  VAL  53          1HG2      VAL  53   5.105  10.910  -7.620
  374   2HG2  VAL  53          2HG2      VAL  53   6.754  10.910  -6.972
  375   3HG2  VAL  53          3HG2      VAL  53   6.443  11.574  -8.577
  376    H    LYS  54           H        LYS  54   7.993   6.598  -7.482
  377    HA   LYS  54           HA       LYS  54   6.992   4.882  -9.621
  378   1HB   LYS  54          1HB       LYS  54   9.338   4.436  -7.748
  379   2HB   LYS  54          2HB       LYS  54   9.021   3.616  -9.277
  380   1HG   LYS  54          1HG       LYS  54   9.704   6.571  -8.923
  381   2HG   LYS  54          2HG       LYS  54  10.755   5.293  -9.534
  382   1HD   LYS  54          1HD       LYS  54   9.169   4.955 -11.467
  383   2HD   LYS  54          2HD       LYS  54   8.193   6.307 -10.865
  384   1HE   LYS  54          1HE       LYS  54   9.621   7.102 -12.641
  385   2HE   LYS  54          2HE       LYS  54  10.123   7.842 -11.113
  386   1HZ   LYS  54          1HZ       LYS  54  11.402   5.518 -12.385
  387   2HZ   LYS  54          2HZ       LYS  54  11.965   7.065 -12.435
  388   3HZ   LYS  54          3HZ       LYS  54  11.905   6.260 -11.001
  389    H    ILE  55           H        ILE  55   6.503   4.925  -6.162
  390    HA   ILE  55           HA       ILE  55   5.432   2.136  -6.376
  391    HB   ILE  55           HB       ILE  55   5.826   1.834  -4.029
  392   1HG1  ILE  55          1HG1      ILE  55   6.080   4.423  -3.531
  393   2HG1  ILE  55          2HG1      ILE  55   6.833   3.141  -2.562
  394   1HG2  ILE  55          1HG2      ILE  55   8.326   2.492  -5.593
  395   2HG2  ILE  55          2HG2      ILE  55   8.211   1.457  -4.145
  396   3HG2  ILE  55          3HG2      ILE  55   7.412   0.968  -5.655
  397   1HD1  ILE  55          1HD1      ILE  55   8.994   3.472  -3.603
  398   2HD1  ILE  55          2HD1      ILE  55   8.304   4.748  -4.639
  399   3HD1  ILE  55          3HD1      ILE  55   8.392   4.922  -2.859
  400    H    SER  56           H        SER  56   4.634   5.415  -5.594
  401    HA   SER  56           HA       SER  56   2.258   4.732  -4.051
  402   1HB   SER  56          1HB       SER  56   3.216   7.357  -5.215
  403   2HB   SER  56          2HB       SER  56   1.933   7.150  -4.024
  404    HG   SER  56           HG       SER  56   4.706   6.618  -3.795
  405    H    MET  57           H        MET  57   0.248   4.401  -4.782
  406    HA   MET  57           HA       MET  57  -0.468   4.517  -7.549
  407   1HB   MET  57          1HB       MET  57  -1.585   3.085  -5.862
  408   2HB   MET  57          2HB       MET  57  -2.165   4.523  -5.012
  409   1HG   MET  57          1HG       MET  57  -3.935   3.557  -6.357
  410   2HG   MET  57          2HG       MET  57  -3.519   5.150  -6.996
  411   1HE   MET  57          1HE       MET  57  -4.965   4.534  -9.111
  412   2HE   MET  57          2HE       MET  57  -4.692   3.103 -10.130
  413   3HE   MET  57          3HE       MET  57  -5.303   2.908  -8.470
  414    HA   PRO  58           HA       PRO  58  -0.456   9.050  -7.569
  415   1HB   PRO  58          1HB       PRO  58  -2.503   8.593  -9.762
  416   2HB   PRO  58          2HB       PRO  58  -1.184   9.798  -9.712
  417   1HG   PRO  58          1HG       PRO  58  -0.834   7.500 -11.090
  418   2HG   PRO  58          2HG       PRO  58   0.470   8.065  -9.999
  419   1HD   PRO  58          1HD       PRO  58  -1.609   5.931  -9.472
  420   2HD   PRO  58          2HD       PRO  58   0.148   5.927  -9.127
  421    H    GLU  59           H        GLU  59  -1.507  10.250  -6.060
  422    HA   GLU  59           HA       GLU  59  -3.744   9.710  -4.620
  423   1HB   GLU  59          1HB       GLU  59  -2.537  12.367  -5.496
  424   2HB   GLU  59          2HB       GLU  59  -3.829  12.293  -4.306
  425   1HG   GLU  59          1HG       GLU  59  -1.250  10.703  -3.913
  426   2HG   GLU  59          2HG       GLU  59  -1.389  12.406  -3.460
  427    H    GLU  60           H        GLU  60  -3.697  11.374  -7.713
  428    HA   GLU  60           HA       GLU  60  -6.298  12.396  -7.849
  429   1HB   GLU  60          1HB       GLU  60  -4.388  12.831  -9.415
  430   2HB   GLU  60          2HB       GLU  60  -4.585  11.197 -10.077
  431   1HG   GLU  60          1HG       GLU  60  -6.885  11.820 -10.837
  432   2HG   GLU  60          2HG       GLU  60  -6.645  13.445 -10.175
  433    H    GLU  61           H        GLU  61  -5.130   9.099  -8.379
  434    HA   GLU  61           HA       GLU  61  -7.806   8.121  -9.188
  435   1HB   GLU  61          1HB       GLU  61  -4.996   6.949  -9.318
  436   2HB   GLU  61          2HB       GLU  61  -6.470   6.168  -9.907
  437   1HG   GLU  61          1HG       GLU  61  -6.802   7.970 -11.563
  438   2HG   GLU  61          2HG       GLU  61  -5.353   8.799 -10.976
  439    H    LEU  62           H        LEU  62  -8.574   6.143  -8.204
  440    HA   LEU  62           HA       LEU  62  -7.214   5.025  -5.936
  441   1HB   LEU  62          1HB       LEU  62  -9.090   5.463  -4.314
  442   2HB   LEU  62          2HB       LEU  62  -7.833   6.657  -4.591
  443    HG   LEU  62           HG       LEU  62  -9.376   7.990  -6.025
  444   1HD1  LEU  62          1HD1      LEU  62 -11.843   7.485  -5.751
  445   2HD1  LEU  62          2HD1      LEU  62 -10.995   6.354  -6.805
  446   3HD1  LEU  62          3HD1      LEU  62 -11.401   5.877  -5.137
  447   1HD2  LEU  62          1HD2      LEU  62  -8.959   8.389  -3.659
  448   2HD2  LEU  62          2HD2      LEU  62 -10.644   8.792  -4.063
  449   3HD2  LEU  62          3HD2      LEU  62 -10.262   7.271  -3.212
  450    H    LEU  63           H        LEU  63  -8.133   3.158  -5.153
  451    HA   LEU  63           HA       LEU  63  -9.683   1.603  -7.063
  452   1HB   LEU  63          1HB       LEU  63  -8.784   0.894  -4.246
  453   2HB   LEU  63          2HB       LEU  63  -9.289  -0.207  -5.540
  454    HG   LEU  63           HG       LEU  63  -6.743   1.467  -5.447
  455   1HD1  LEU  63          1HD1      LEU  63  -6.824  -0.466  -3.923
  456   2HD1  LEU  63          2HD1      LEU  63  -7.269  -1.533  -5.272
  457   3HD1  LEU  63          3HD1      LEU  63  -5.675  -0.754  -5.236
  458   1HD2  LEU  63          1HD2      LEU  63  -6.084   0.234  -7.493
  459   2HD2  LEU  63          2HD2      LEU  63  -7.692  -0.503  -7.577
  460   3HD2  LEU  63          3HD2      LEU  63  -7.497   1.251  -7.798
  461    H    ASN  64           H        ASN  64 -11.633   2.475  -7.147
  462    HA   ASN  64           HA       ASN  64 -13.127   3.423  -4.815
  463   1HB   ASN  64          1HB       ASN  64 -14.747   4.203  -6.554
  464   2HB   ASN  64          2HB       ASN  64 -13.124   4.883  -6.678
  465   1HD2  ASN  64          1HD2      ASN  64 -12.362   3.329  -9.805
  466   2HD2  ASN  64          2HD2      ASN  64 -11.632   4.075  -8.391
  467    H    ALA  65           H        ALA  65 -13.424   0.801  -7.223
  468    HA   ALA  65           HA       ALA  65 -15.955  -0.096  -5.969
  469   1HB   ALA  65          1HB       ALA  65 -14.460  -0.943  -8.489
  470   2HB   ALA  65          2HB       ALA  65 -16.001  -1.623  -7.973
  471   3HB   ALA  65          3HB       ALA  65 -15.892   0.094  -8.394
  472    HA   PRO  66           HA       PRO  66 -13.927  -3.387  -3.716
  473   1HB   PRO  66          1HB       PRO  66 -15.662  -5.510  -3.959
  474   2HB   PRO  66          2HB       PRO  66 -15.995  -4.091  -2.939
  475   1HG   PRO  66          1HG       PRO  66 -16.948  -4.593  -5.768
  476   2HG   PRO  66          2HG       PRO  66 -17.926  -4.081  -4.359
  477   1HD   PRO  66          1HD       PRO  66 -17.046  -2.280  -6.153
  478   2HD   PRO  66          2HD       PRO  66 -16.985  -1.883  -4.418
  479    H    GLY  67           H        GLY  67 -12.789  -5.489  -4.087
  480   1HA   GLY  67          1HA       GLY  67 -11.877  -7.149  -5.384
  481   2HA   GLY  67          2HA       GLY  67 -12.938  -6.721  -6.726
  482    H    GLU  68           H        GLU  68 -12.013  -3.881  -6.870
  483    HA   GLU  68           HA       GLU  68  -9.999  -4.088  -8.753
  484   1HB   GLU  68          1HB       GLU  68 -10.559  -1.763  -6.862
  485   2HB   GLU  68          2HB       GLU  68  -9.523  -1.684  -8.302
  486   1HG   GLU  68          1HG       GLU  68 -11.478  -2.442  -9.698
  487   2HG   GLU  68          2HG       GLU  68 -12.506  -2.273  -8.268
  488    H    THR  69           H        THR  69  -7.762  -3.988  -8.820
  489    HA   THR  69           HA       THR  69  -6.330  -4.430  -6.258
  490    HB   THR  69           HB       THR  69  -4.785  -5.761  -7.915
  491    HG1  THR  69           HG1      THR  69  -7.249  -6.041  -9.269
  492   1HG2  THR  69          1HG2      THR  69  -7.516  -6.842  -7.118
  493   2HG2  THR  69          2HG2      THR  69  -6.111  -7.811  -7.616
  494   3HG2  THR  69          3HG2      THR  69  -6.030  -6.842  -6.135
  495    OH   TYR  70           OH       TYR  70   1.680   2.012  -7.145
  496    H    TYR  70           H        TYR  70  -4.089  -3.860  -6.273
  497    HA   TYR  70           HA       TYR  70  -3.065  -2.032  -8.362
  498   1HB   TYR  70          1HB       TYR  70  -3.836  -0.553  -6.539
  499   2HB   TYR  70          2HB       TYR  70  -3.012  -1.545  -5.346
  500    HD1  TYR  70           HD1      TYR  70  -2.230   0.232  -8.588
  501    HD2  TYR  70           HD2      TYR  70  -0.969  -0.632  -4.552
  502    HE1  TYR  70           HE1      TYR  70  -0.163   1.547  -8.945
  503    HE2  TYR  70           HE2      TYR  70   1.058   0.746  -4.897
  504    HH   TYR  70           HH       TYR  70   2.224   2.088  -6.353
  505    H    VAL  71           H        VAL  71  -0.709  -2.326  -8.539
  506    HA   VAL  71           HA       VAL  71   0.422  -4.505  -6.884
  507    HB   VAL  71           HB       VAL  71   0.628  -4.367  -9.923
  508   1HG1  VAL  71          1HG1      VAL  71   1.601  -6.656  -9.651
  509   2HG1  VAL  71          2HG1      VAL  71   2.592  -5.415  -8.882
  510   3HG1  VAL  71          3HG1      VAL  71   1.544  -6.449  -7.889
  511   1HG2  VAL  71          1HG2      VAL  71  -1.071  -6.199  -8.183
  512   2HG2  VAL  71          2HG2      VAL  71  -1.655  -5.042  -9.400
  513   3HG2  VAL  71          3HG2      VAL  71  -0.743  -6.464  -9.907
  514    H    VAL  72           H        VAL  72   2.662  -4.299  -6.530
  515    HA   VAL  72           HA       VAL  72   4.152  -2.242  -7.979
  516    HB   VAL  72           HB       VAL  72   2.970  -0.941  -6.254
  517   1HG1  VAL  72          1HG1      VAL  72   2.754  -2.736  -4.534
  518   2HG1  VAL  72          2HG1      VAL  72   4.490  -2.574  -4.177
  519   3HG1  VAL  72          3HG1      VAL  72   3.397  -1.208  -3.896
  520   1HG2  VAL  72          1HG2      VAL  72   5.955  -1.189  -5.738
  521   2HG2  VAL  72          2HG2      VAL  72   5.179  -0.209  -7.001
  522   3HG2  VAL  72          3HG2      VAL  72   4.904   0.164  -5.285
  523    H    THR  73           H        THR  73   6.329  -2.706  -8.023
  524    HA   THR  73           HA       THR  73   7.184  -5.218  -6.669
  525    HB   THR  73           HB       THR  73   8.335  -3.865  -9.127
  526    HG1  THR  73           HG1      THR  73   6.166  -4.733  -9.325
  527   1HG2  THR  73          1HG2      THR  73   9.420  -6.069  -9.456
  528   2HG2  THR  73          2HG2      THR  73   9.947  -5.344  -7.927
  529   3HG2  THR  73          3HG2      THR  73   8.734  -6.645  -7.926
  530    H    LEU  74           H        LEU  74   8.338  -4.805  -4.817
  531    HA   LEU  74           HA       LEU  74   9.839  -2.222  -4.640
  532   1HB   LEU  74          1HB       LEU  74   9.321  -4.243  -2.451
  533   2HB   LEU  74          2HB       LEU  74  10.057  -2.631  -2.355
  534    HG   LEU  74           HG       LEU  74   7.155  -3.254  -2.983
  535   1HD1  LEU  74          1HD1      LEU  74   6.767  -2.009  -0.901
  536   2HD1  LEU  74          2HD1      LEU  74   7.920  -3.324  -0.580
  537   3HD1  LEU  74          3HD1      LEU  74   8.498  -1.658  -0.745
  538   1HD2  LEU  74          1HD2      LEU  74   7.809  -1.331  -4.377
  539   2HD2  LEU  74          2HD2      LEU  74   6.849  -0.765  -3.007
  540   3HD2  LEU  74          3HD2      LEU  74   8.616  -0.576  -2.986
  541    H    ASP  75           H        ASP  75  11.489  -2.611  -6.032
  542    HA   ASP  75           HA       ASP  75  13.251  -4.832  -6.045
  543   1HB   ASP  75          1HB       ASP  75  13.159  -3.342  -7.917
  544   2HB   ASP  75          2HB       ASP  75  13.554  -1.934  -6.923
  545    H    THR  76           H        THR  76  14.089  -1.572  -4.818
  546    HA   THR  76           HA       THR  76  16.507  -2.527  -3.683
  547    HB   THR  76           HB       THR  76  15.143   0.140  -3.172
  548    HG1  THR  76           HG1      THR  76  16.215  -0.943  -5.539
  549   1HG2  THR  76          1HG2      THR  76  17.440   1.008  -3.298
  550   2HG2  THR  76          2HG2      THR  76  17.287  -0.194  -2.007
  551   3HG2  THR  76          3HG2      THR  76  18.071  -0.633  -3.546
  552    H    LYS  77           H        LYS  77  17.119  -2.912  -1.602
  553    HA   LYS  77           HA       LYS  77  15.221  -3.662   0.385
  554   1HB   LYS  77          1HB       LYS  77  18.185  -2.947   0.576
  555   2HB   LYS  77          2HB       LYS  77  17.257  -3.715   1.873
  556   1HG   LYS  77          1HG       LYS  77  16.838  -5.671   0.527
  557   2HG   LYS  77          2HG       LYS  77  17.634  -4.961  -0.886
  558   1HD   LYS  77          1HD       LYS  77  19.757  -4.765   0.482
  559   2HD   LYS  77          2HD       LYS  77  18.956  -5.667   1.777
  560   1HE   LYS  77          1HE       LYS  77  19.465  -6.657  -1.075
  561   2HE   LYS  77          2HE       LYS  77  20.378  -7.126   0.369
  562   1HZ   LYS  77          1HZ       LYS  77  18.337  -8.047   1.254
  563   2HZ   LYS  77          2HZ       LYS  77  17.539  -7.655  -0.146
  564   3HZ   LYS  77          3HZ       LYS  77  18.764  -8.754  -0.171
  565    H    GLY  78           H        GLY  78  14.799  -2.709   2.448
  566   1HA   GLY  78          1HA       GLY  78  15.589  -0.554   3.737
  567   2HA   GLY  78          2HA       GLY  78  14.794   0.274   2.387
  568    H    THR  79           H        THR  79  13.556   1.123   4.262
  569    HA   THR  79           HA       THR  79  11.274  -0.635   5.058
  570    HB   THR  79           HB       THR  79  12.302   1.912   6.382
  571    HG1  THR  79           HG1      THR  79  12.790  -0.819   6.981
  572   1HG2  THR  79          1HG2      THR  79   9.934   1.386   6.860
  573   2HG2  THR  79          2HG2      THR  79  10.382  -0.274   7.320
  574   3HG2  THR  79          3HG2      THR  79  10.952   1.108   8.285
  575    OH   TYR  80           OH       TYR  80  12.446   0.030  -2.405
  576    H    TYR  80           H        TYR  80   9.452  -0.162   3.940
  577    HA   TYR  80           HA       TYR  80   9.145   2.552   2.722
  578   1HB   TYR  80          1HB       TYR  80   8.271  -0.195   1.809
  579   2HB   TYR  80          2HB       TYR  80   7.691   1.306   1.114
  580    HD1  TYR  80           HD2      TYR  80  10.923  -0.485   1.833
  581    HD2  TYR  80           HD1      TYR  80   8.676   2.024  -0.867
  582    HE1  TYR  80           HE2      TYR  80  12.617  -0.838   0.098
  583    HE2  TYR  80           HE1      TYR  80  10.362   1.606  -2.633
  584    HH   TYR  80           HH       TYR  80  13.068  -0.656  -2.134
  585    H    SER  81           H        SER  81   7.784   3.648   4.094
  586    HA   SER  81           HA       SER  81   5.499   2.153   5.256
  587   1HB   SER  81          1HB       SER  81   7.062   4.083   6.410
  588   2HB   SER  81          2HB       SER  81   5.617   4.998   5.927
  589    HG   SER  81           HG       SER  81   4.492   3.020   6.930
  590    H    PHE  82           H        PHE  82   3.366   2.486   4.749
  591    HA   PHE  82           HA       PHE  82   2.779   4.468   2.647
  592   1HB   PHE  82          1HB       PHE  82   1.554   2.758   1.327
  593   2HB   PHE  82          2HB       PHE  82   3.243   2.463   1.397
  594    HD1  PHE  82           HD2      PHE  82  -0.046   1.450   2.798
  595    HD2  PHE  82           HD1      PHE  82   4.129   0.327   2.479
  596    HE1  PHE  82           HE2      PHE  82  -0.486  -0.642   4.019
  597    HE2  PHE  82           HE1      PHE  82   3.639  -1.743   3.693
  598    HZ   PHE  82           HZ       PHE  82   1.339  -2.257   4.446
  599    OH   TYR  83           OH       TYR  83   0.737  10.517   1.313
  600    H    TYR  83           H        TYR  83   0.485   4.599   2.160
  601    HA   TYR  83           HA       TYR  83  -1.339   3.952   4.340
  602   1HB   TYR  83          1HB       TYR  83  -1.870   6.281   4.887
  603   2HB   TYR  83          2HB       TYR  83  -0.185   5.923   5.253
  604    HD1  TYR  83           HD1      TYR  83   1.649   6.782   3.741
  605    HD2  TYR  83           HD2      TYR  83  -2.466   7.988   3.309
  606    HE1  TYR  83           HE1      TYR  83   2.358   8.689   2.340
  607    HE2  TYR  83           HE2      TYR  83  -1.741   9.933   1.936
  608    HH   TYR  83           HH       TYR  83   1.680  10.537   1.132
  609    H    CYS  84           H        CYS  84  -3.495   4.638   4.016
  610    HA   CYS  84           HA       CYS  84  -4.287   4.820   1.127
  611   1HB   CYS  84          1HB       CYS  84  -5.280   2.913   2.284
  612   2HB   CYS  84          2HB       CYS  84  -5.668   3.934   3.679
  613    H    SER  85           H        SER  85  -4.357   6.973   0.603
  614    HA   SER  85           HA       SER  85  -4.372   8.956   2.480
  615   1HB   SER  85          1HB       SER  85  -4.923  10.604   0.756
  616   2HB   SER  85          2HB       SER  85  -3.598   9.499   0.372
  617    HG   SER  85           HG       SER  85  -5.007   9.836  -1.364
  618    HA   PRO  86           HA       PRO  86  -9.030   9.936   2.351
  619   1HB   PRO  86          1HB       PRO  86 -10.822   7.926   1.720
  620   2HB   PRO  86          2HB       PRO  86 -10.183   9.123   0.563
  621   1HG   PRO  86          1HG       PRO  86  -9.146   6.329   1.076
  622   2HG   PRO  86          2HG       PRO  86  -9.538   7.074  -0.503
  623   1HD   PRO  86          1HD       PRO  86  -6.997   7.049   0.321
  624   2HD   PRO  86          2HD       PRO  86  -7.673   8.546  -0.368
  625    H    HIS  87           H        HIS  87  -7.393   7.191   3.700
  626    HA   HIS  87           HA       HIS  87  -9.137   7.403   6.114
  627   1HB   HIS  87          1HB       HIS  87  -8.053   4.859   4.911
  628   2HB   HIS  87          2HB       HIS  87  -8.961   4.977   6.416
  629    HD2  HIS  87           HD2      HIS  87 -11.494   6.549   5.786
  630    HE1  HIS  87           HE1      HIS  87 -12.144   3.971   2.477
  631    HE2  HIS  87           HE2      HIS  87 -13.229   5.624   4.061
  632    H    GLN  88           H        GLN  88  -6.350   8.446   5.128
  633    HA   GLN  88           HA       GLN  88  -4.372   7.169   6.713
  634   1HB   GLN  88          1HB       GLN  88  -3.889   8.863   4.977
  635   2HB   GLN  88          2HB       GLN  88  -4.670  10.108   5.948
  636   1HG   GLN  88          1HG       GLN  88  -2.936   9.565   7.789
  637   2HG   GLN  88          2HG       GLN  88  -2.091   8.606   6.570
  638   1HE2  GLN  88          1HE2      GLN  88  -0.846  11.530   4.902
  639   2HE2  GLN  88          2HE2      GLN  88  -1.038   9.790   4.795
  640    H    GLY  89           H        GLY  89  -6.567   9.899   7.432
  641   1HA   GLY  89          1HA       GLY  89  -5.861  10.418  10.100
  642   2HA   GLY  89          2HA       GLY  89  -7.458  10.703   9.383
  643    H    ALA  90           H        ALA  90  -7.918   7.835   8.752
  644    HA   ALA  90           HA       ALA  90  -8.932   7.011  11.374
  645   1HB   ALA  90          1HB       ALA  90 -10.314   6.850   9.320
  646   2HB   ALA  90          2HB       ALA  90  -9.163   5.665   8.660
  647   3HB   ALA  90          3HB       ALA  90 -10.090   5.284  10.122
  648    H    GLY  91           H        GLY  91  -5.885   6.771  10.091
  649   1HA   GLY  91          1HA       GLY  91  -4.127   5.579  10.900
  650   2HA   GLY  91          2HA       GLY  91  -5.207   4.505  11.795
  651    H    MET  92           H        MET  92  -5.968   4.902   8.353
  652    HA   MET  92           HA       MET  92  -5.215   2.102   7.982
  653   1HB   MET  92          1HB       MET  92  -7.293   3.083   7.033
  654   2HB   MET  92          2HB       MET  92  -6.292   4.006   5.896
  655   1HG   MET  92          1HG       MET  92  -5.417   1.960   4.927
  656   2HG   MET  92          2HG       MET  92  -6.057   0.994   6.252
  657   1HE   MET  92          1HE       MET  92  -6.202   0.016   3.339
  658   2HE   MET  92          2HE       MET  92  -6.736  -0.808   4.816
  659   3HE   MET  92          3HE       MET  92  -7.827  -0.703   3.428
  660    H    VAL  93           H        VAL  93  -3.009   2.404   8.502
  661    HA   VAL  93           HA       VAL  93  -1.303   3.232   6.218
  662    HB   VAL  93           HB       VAL  93   0.328   4.149   7.684
  663   1HG1  VAL  93          1HG1      VAL  93  -0.776   6.096   8.543
  664   2HG1  VAL  93          2HG1      VAL  93  -1.646   5.615   7.076
  665   3HG1  VAL  93          3HG1      VAL  93  -2.334   5.261   8.668
  666   1HG2  VAL  93          1HG2      VAL  93   0.003   4.319  10.124
  667   2HG2  VAL  93          2HG2      VAL  93  -1.469   3.335  10.004
  668   3HG2  VAL  93          3HG2      VAL  93   0.115   2.632   9.607
  669    H    GLY  94           H        GLY  94   1.014   2.284   6.524
  670   1HA   GLY  94          1HA       GLY  94   1.238  -0.168   7.989
  671   2HA   GLY  94          2HA       GLY  94   0.946  -0.481   6.275
  672    H    LYS  95           H        LYS  95   3.216  -1.418   7.142
  673    HA   LYS  95           HA       LYS  95   5.337   0.304   6.077
  674   1HB   LYS  95          1HB       LYS  95   5.175   0.869   8.481
  675   2HB   LYS  95          2HB       LYS  95   5.455  -0.832   8.886
  676   1HG   LYS  95          1HG       LYS  95   7.670  -0.703   7.716
  677   2HG   LYS  95          2HG       LYS  95   7.377   1.011   7.383
  678   1HD   LYS  95          1HD       LYS  95   7.533  -0.290  10.152
  679   2HD   LYS  95          2HD       LYS  95   8.853   0.575   9.373
  680   1HE   LYS  95          1HE       LYS  95   6.213   1.782  10.313
  681   2HE   LYS  95          2HE       LYS  95   7.823   2.022  10.999
  682   1HZ   LYS  95          1HZ       LYS  95   8.456   3.000   8.853
  683   2HZ   LYS  95          2HZ       LYS  95   6.868   2.929   8.382
  684   3HZ   LYS  95          3HZ       LYS  95   7.304   3.851   9.667
  685    H    VAL  96           H        VAL  96   6.151  -0.926   4.527
  686    HA   VAL  96           HA       VAL  96   6.427  -3.841   5.082
  687    HB   VAL  96           HB       VAL  96   4.976  -3.487   3.321
  688   1HG1  VAL  96          1HG1      VAL  96   5.792  -1.231   2.466
  689   2HG1  VAL  96          2HG1      VAL  96   7.162  -2.087   1.731
  690   3HG1  VAL  96          3HG1      VAL  96   5.506  -2.432   1.204
  691   1HG2  VAL  96          1HG2      VAL  96   6.582  -5.358   3.260
  692   2HG2  VAL  96          2HG2      VAL  96   5.960  -4.852   1.677
  693   3HG2  VAL  96          3HG2      VAL  96   7.605  -4.385   2.163
  694    H    THR  97           H        THR  97   8.323  -4.681   5.268
  695    HA   THR  97           HA       THR  97  10.737  -2.971   4.980
  696    HB   THR  97           HB       THR  97  10.600  -5.619   6.414
  697    HG1  THR  97           HG1      THR  97   8.910  -4.441   7.253
  698   1HG2  THR  97          1HG2      THR  97  12.341  -4.589   7.795
  699   2HG2  THR  97          2HG2      THR  97  12.817  -4.561   6.086
  700   3HG2  THR  97          3HG2      THR  97  12.217  -3.081   6.868
  701    H    VAL  98           H        VAL  98  11.773  -3.207   3.017
  702    HA   VAL  98           HA       VAL  98  11.570  -5.736   1.564
  703    HB   VAL  98           HB       VAL  98  13.024  -3.179   0.849
  704   1HG1  VAL  98          1HG1      VAL  98  12.885  -4.176  -1.443
  705   2HG1  VAL  98          2HG1      VAL  98  13.783  -5.256  -0.362
  706   3HG1  VAL  98          3HG1      VAL  98  12.094  -5.609  -0.772
  707   1HG2  VAL  98          1HG2      VAL  98  10.260  -4.188   0.040
  708   2HG2  VAL  98          2HG2      VAL  98  10.558  -2.821   1.133
  709   3HG2  VAL  98          3HG2      VAL  98  11.096  -2.733  -0.540
  710    H    ASN  99           H        ASN  99  12.688  -7.242   2.541
  711    HA   ASN  99           HA       ASN  99  15.203  -6.846   3.984
  712   1HB   ASN  99          1HB       ASN  99  13.470  -9.267   3.305
  713   2HB   ASN  99          2HB       ASN  99  15.013  -9.386   4.144
  714   1HD2  ASN  99          1HD2      ASN  99  11.909  -7.632   6.263
  715   2HD2  ASN  99          2HD2      ASN  99  11.968  -7.313   4.541
   
  Start of MODEL           2
 Raw file had 715 H/Q atoms
  Start of MODEL    2
    1    H    LEU   1           H        LEU   1   3.711 -10.191  -2.865
    2    HA   LEU   1           HA       LEU   1   2.710 -11.795  -0.638
    3   1HB   LEU   1          1HB       LEU   1   3.797  -9.000  -0.271
    4   2HB   LEU   1          2HB       LEU   1   2.370  -9.451   0.648
    5    HG   LEU   1           HG       LEU   1   4.457  -9.706   1.891
    6   1HD1  LEU   1          1HD1      LEU   1   3.933 -11.802   2.952
    7   2HD1  LEU   1          2HD1      LEU   1   2.434 -10.963   2.519
    8   3HD1  LEU   1          3HD1      LEU   1   2.992 -12.346   1.550
    9   1HD2  LEU   1          1HD2      LEU   1   5.881 -10.496   0.026
   10   2HD2  LEU   1          2HD2      LEU   1   6.029 -11.454   1.513
   11   3HD2  LEU   1          3HD2      LEU   1   5.101 -12.090   0.132
   12    H    GLU   2           H        GLU   2   0.573 -11.371  -0.061
   13    HA   GLU   2           HA       GLU   2  -1.060  -9.807  -2.006
   14   1HB   GLU   2          1HB       GLU   2  -1.439 -12.209  -2.213
   15   2HB   GLU   2          2HB       GLU   2  -1.615 -12.380  -0.459
   16   1HG   GLU   2          1HG       GLU   2  -3.789 -12.434  -1.634
   17   2HG   GLU   2          2HG       GLU   2  -3.691 -11.117  -0.466
   18    H    VAL   3           H        VAL   3  -1.820  -7.991  -1.026
   19    HA   VAL   3           HA       VAL   3  -2.179  -7.983   1.941
   20    HB   VAL   3           HB       VAL   3  -1.444  -5.678   0.108
   21   1HG1  VAL   3          1HG1      VAL   3  -1.000  -4.503   2.273
   22   2HG1  VAL   3          2HG1      VAL   3  -2.700  -4.960   2.106
   23   3HG1  VAL   3          3HG1      VAL   3  -1.621  -5.910   3.149
   24   1HG2  VAL   3          1HG2      VAL   3   0.337  -7.224   2.034
   25   2HG2  VAL   3          2HG2      VAL   3   0.472  -7.204   0.262
   26   3HG2  VAL   3          3HG2      VAL   3   0.766  -5.727   1.181
   27    H    LEU   4           H        LEU   4  -4.189  -7.537   2.636
   28    HA   LEU   4           HA       LEU   4  -6.285  -6.892   0.629
   29   1HB   LEU   4          1HB       LEU   4  -6.465  -7.699   3.545
   30   2HB   LEU   4          2HB       LEU   4  -7.818  -7.489   2.449
   31    HG   LEU   4           HG       LEU   4  -5.640  -9.618   2.289
   32   1HD1  LEU   4          1HD1      LEU   4  -7.388  -9.949   4.014
   33   2HD1  LEU   4          2HD1      LEU   4  -8.648  -9.783   2.769
   34   3HD1  LEU   4          3HD1      LEU   4  -7.516 -11.153   2.717
   35   1HD2  LEU   4          1HD2      LEU   4  -6.206  -9.054  -0.010
   36   2HD2  LEU   4          2HD2      LEU   4  -7.029 -10.559   0.407
   37   3HD2  LEU   4          3HD2      LEU   4  -7.944  -9.035   0.377
   38    H    LEU   5           H        LEU   5  -7.014  -4.888   0.422
   39    HA   LEU   5           HA       LEU   5  -6.283  -2.769   2.365
   40   1HB   LEU   5          1HB       LEU   5  -7.800  -2.637  -0.253
   41   2HB   LEU   5          2HB       LEU   5  -7.248  -1.265   0.700
   42    HG   LEU   5           HG       LEU   5  -5.438  -3.316  -0.674
   43   1HD1  LEU   5          1HD1      LEU   5  -4.979  -1.426  -2.234
   44   2HD1  LEU   5          2HD1      LEU   5  -6.675  -1.930  -2.262
   45   3HD1  LEU   5          3HD1      LEU   5  -6.196  -0.451  -1.394
   46   1HD2  LEU   5          1HD2      LEU   5  -4.868  -0.734   0.856
   47   2HD2  LEU   5          2HD2      LEU   5  -4.341  -2.386   1.274
   48   3HD2  LEU   5          3HD2      LEU   5  -3.681  -1.581  -0.152
   49    H    GLY   6           H        GLY   6  -7.568  -3.124   4.180
   50   1HA   GLY   6          1HA       GLY   6  -9.617  -2.372   5.149
   51   2HA   GLY   6          2HA       GLY   6 -10.519  -3.071   3.799
   52    H    SER   7           H        SER   7 -11.728  -4.287   5.455
   53    HA   SER   7           HA       SER   7 -10.555  -6.915   5.903
   54   1HB   SER   7          1HB       SER   7 -11.122  -6.731   8.396
   55   2HB   SER   7          2HB       SER   7  -9.726  -5.765   7.895
   56    HG   SER   7           HG       SER   7 -11.075  -3.932   7.799
   57    H    GLY   8           H        GLY   8 -12.241  -8.416   6.580
   58   1HA   GLY   8          1HA       GLY   8 -14.614  -8.271   5.164
   59   2HA   GLY   8          2HA       GLY   8 -14.370  -9.280   6.598
   60    H    ASP   9           H        ASP   9 -14.027  -7.229   8.534
   61    HA   ASP   9           HA       ASP   9 -16.805  -6.493   9.021
   62   1HB   ASP   9          1HB       ASP   9 -15.990  -5.790  11.196
   63   2HB   ASP   9          2HB       ASP   9 -15.351  -7.388  10.798
   64    H    GLY  10           H        GLY  10 -14.844  -5.061   6.901
   65   1HA   GLY  10          1HA       GLY  10 -14.899  -3.049   5.898
   66   2HA   GLY  10          2HA       GLY  10 -16.206  -2.559   6.981
   67    H    SER  11           H        SER  11 -13.261  -3.553   8.644
   68    HA   SER  11           HA       SER  11 -12.947  -0.794   9.530
   69   1HB   SER  11          1HB       SER  11 -12.692  -2.498  11.150
   70   2HB   SER  11          2HB       SER  11 -11.346  -3.265  10.268
   71    HG   SER  11           HG       SER  11 -10.667  -1.820  11.948
   72    H    LEU  12           H        LEU  12 -11.461   0.639   8.918
   73    HA   LEU  12           HA       LEU  12 -10.128   0.345   6.396
   74   1HB   LEU  12          1HB       LEU  12 -10.014   2.549   8.525
   75   2HB   LEU  12          2HB       LEU  12  -9.545   2.690   6.831
   76    HG   LEU  12           HG       LEU  12 -11.561   3.748   7.059
   77   1HD1  LEU  12          1HD1      LEU  12 -12.367   1.039   5.925
   78   2HD1  LEU  12          2HD1      LEU  12 -13.043   2.623   5.506
   79   3HD1  LEU  12          3HD1      LEU  12 -11.364   2.233   5.077
   80   1HD2  LEU  12          1HD2      LEU  12 -13.123   1.470   8.232
   81   2HD2  LEU  12          2HD2      LEU  12 -12.373   2.772   9.200
   82   3HD2  LEU  12          3HD2      LEU  12 -13.583   3.146   7.957
   83    H    VAL  13           H        VAL  13  -8.886  -1.575   7.250
   84    HA   VAL  13           HA       VAL  13  -6.210  -0.611   8.212
   85    HB   VAL  13           HB       VAL  13  -5.957  -2.753   9.418
   86   1HG1  VAL  13          1HG1      VAL  13  -6.590  -0.681  10.608
   87   2HG1  VAL  13          2HG1      VAL  13  -8.308  -1.070  10.385
   88   3HG1  VAL  13          3HG1      VAL  13  -7.280  -2.122  11.375
   89   1HG2  VAL  13          1HG2      VAL  13  -7.736  -4.071   8.222
   90   2HG2  VAL  13          2HG2      VAL  13  -7.861  -4.140   9.986
   91   3HG2  VAL  13          3HG2      VAL  13  -8.965  -3.108   9.066
   92    H    PHE  14           H        PHE  14  -4.415  -1.746   7.448
   93    HA   PHE  14           HA       PHE  14  -4.785  -3.104   4.818
   94   1HB   PHE  14          1HB       PHE  14  -2.413  -1.940   6.342
   95   2HB   PHE  14          2HB       PHE  14  -2.205  -3.026   4.986
   96    HD1  PHE  14           HD1      PHE  14  -3.225   0.374   5.999
   97    HD2  PHE  14           HD2      PHE  14  -2.417  -2.298   2.709
   98    HE1  PHE  14           HE1      PHE  14  -2.895   2.301   4.476
   99    HE2  PHE  14           HE2      PHE  14  -1.987  -0.381   1.264
  100    HZ   PHE  14           HZ       PHE  14  -2.380   1.939   2.079
  101    H    VAL  15           H        VAL  15  -4.577  -5.388   4.777
  102    HA   VAL  15           HA       VAL  15  -3.479  -6.678   7.261
  103    HB   VAL  15           HB       VAL  15  -5.803  -7.648   5.604
  104   1HG1  VAL  15          1HG1      VAL  15  -4.479  -9.492   6.577
  105   2HG1  VAL  15          2HG1      VAL  15  -4.538  -8.704   8.170
  106   3HG1  VAL  15          3HG1      VAL  15  -6.025  -9.314   7.415
  107   1HG2  VAL  15          1HG2      VAL  15  -5.701  -6.375   8.368
  108   2HG2  VAL  15          2HG2      VAL  15  -6.486  -5.708   6.919
  109   3HG2  VAL  15          3HG2      VAL  15  -7.119  -7.178   7.661
  110    HA   PRO  16           HA       PRO  16  -1.650  -7.690   7.789
  111   1HB   PRO  16          1HB       PRO  16   1.030  -7.725   7.434
  112   2HB   PRO  16          2HB       PRO  16   0.033  -9.207   7.370
  113   1HG   PRO  16          1HG       PRO  16   0.972  -7.528   5.019
  114   2HG   PRO  16          2HG       PRO  16   1.158  -9.294   5.236
  115   1HD   PRO  16          1HD       PRO  16  -0.886  -8.242   3.797
  116   2HD   PRO  16          2HD       PRO  16  -1.174  -9.646   4.851
  117    H    SER  17           H        SER  17  -0.899  -5.818   8.917
  118    HA   SER  17           HA       SER  17  -0.972  -3.332   7.441
  119   1HB   SER  17          1HB       SER  17  -0.176  -3.593  10.352
  120   2HB   SER  17          2HB       SER  17  -1.109  -2.324   9.539
  121    HG   SER  17           HG       SER  17  -2.682  -4.135   9.147
  122    H    GLU  18           H        GLU  18   1.470  -5.151   9.304
  123    HA   GLU  18           HA       GLU  18   3.657  -3.663   7.945
  124   1HB   GLU  18          1HB       GLU  18   3.483  -4.549  10.850
  125   2HB   GLU  18          2HB       GLU  18   4.957  -3.985  10.034
  126   1HG   GLU  18          1HG       GLU  18   3.805  -1.869   9.428
  127   2HG   GLU  18          2HG       GLU  18   2.383  -2.368  10.355
  128    H    PHE  19           H        PHE  19   5.130  -4.969   6.983
  129    HA   PHE  19           HA       PHE  19   5.428  -7.765   7.759
  130   1HB   PHE  19          1HB       PHE  19   4.642  -8.759   5.695
  131   2HB   PHE  19          2HB       PHE  19   3.343  -7.857   6.428
  132    HD1  PHE  19           HD1      PHE  19   2.721  -5.542   5.489
  133    HD2  PHE  19           HD2      PHE  19   5.348  -8.300   3.442
  134    HE1  PHE  19           HE1      PHE  19   2.206  -4.451   3.339
  135    HE2  PHE  19           HE2      PHE  19   4.869  -7.152   1.304
  136    HZ   PHE  19           HZ       PHE  19   3.288  -5.233   1.245
  137    H    SER  20           H        SER  20   6.751  -8.867   5.770
  138    HA   SER  20           HA       SER  20   8.850  -7.003   4.879
  139   1HB   SER  20          1HB       SER  20   9.319  -9.730   6.172
  140   2HB   SER  20          2HB       SER  20  10.557  -8.568   5.647
  141    HG   SER  20           HG       SER  20  10.137  -8.458   7.914
  142    H    VAL  21           H        VAL  21   9.897  -7.744   2.881
  143    HA   VAL  21           HA       VAL  21   8.697 -10.097   1.576
  144    HB   VAL  21           HB       VAL  21   7.198  -8.313   1.025
  145   1HG1  VAL  21          1HG1      VAL  21   8.740  -6.355   1.437
  146   2HG1  VAL  21          2HG1      VAL  21   9.538  -6.718  -0.105
  147   3HG1  VAL  21          3HG1      VAL  21   7.833  -6.256  -0.079
  148   1HG2  VAL  21          1HG2      VAL  21   9.034  -8.681  -1.360
  149   2HG2  VAL  21          2HG2      VAL  21   7.890  -9.916  -0.793
  150   3HG2  VAL  21          3HG2      VAL  21   7.292  -8.352  -1.382
  151    HA   PRO  22           HA       PRO  22  13.002 -10.225   0.348
  152   1HB   PRO  22          1HB       PRO  22  12.211 -11.906  -1.978
  153   2HB   PRO  22          2HB       PRO  22  13.381 -12.268  -0.689
  154   1HG   PRO  22          1HG       PRO  22  10.937 -13.488  -0.763
  155   2HG   PRO  22          2HG       PRO  22  11.652 -12.953   0.788
  156   1HD   PRO  22          1HD       PRO  22   9.600 -11.498  -0.901
  157   2HD   PRO  22          2HD       PRO  22   9.581 -11.870   0.848
  158    H    SER  23           H        SER  23  14.258  -8.987  -1.048
  159    HA   SER  23           HA       SER  23  13.187  -6.899  -2.546
  160   1HB   SER  23          1HB       SER  23  15.890  -8.260  -2.863
  161   2HB   SER  23          2HB       SER  23  15.474  -6.649  -3.454
  162    HG   SER  23           HG       SER  23  15.457  -7.495  -0.730
  163    H    GLY  24           H        GLY  24  12.156  -6.810  -4.460
  164   1HA   GLY  24          1HA       GLY  24  12.114  -7.156  -6.802
  165   2HA   GLY  24          2HA       GLY  24  12.894  -8.727  -6.638
  166    H    GLU  25           H        GLU  25  10.793  -9.188  -4.214
  167    HA   GLU  25           HA       GLU  25   8.895 -10.513  -5.982
  168   1HB   GLU  25          1HB       GLU  25   9.339 -10.357  -3.024
  169   2HB   GLU  25          2HB       GLU  25   7.739 -10.814  -3.592
  170   1HG   GLU  25          1HG       GLU  25   9.357 -12.747  -3.187
  171   2HG   GLU  25          2HG       GLU  25   8.511 -12.722  -4.736
  172    H    LYS  26           H        LYS  26   6.792 -10.102  -6.351
  173    HA   LYS  26           HA       LYS  26   6.043  -7.314  -6.364
  174   1HB   LYS  26          1HB       LYS  26   4.111  -8.156  -7.648
  175   2HB   LYS  26          2HB       LYS  26   5.678  -8.529  -8.362
  176   1HG   LYS  26          1HG       LYS  26   5.552 -10.841  -7.694
  177   2HG   LYS  26          2HG       LYS  26   4.108 -10.570  -6.708
  178   1HD   LYS  26          1HD       LYS  26   4.206 -10.054  -9.716
  179   2HD   LYS  26          2HD       LYS  26   3.825 -11.642  -9.031
  180   1HE   LYS  26          1HE       LYS  26   1.896 -10.713  -7.817
  181   2HE   LYS  26          2HE       LYS  26   2.238  -9.101  -8.469
  182   1HZ   LYS  26          1HZ       LYS  26   0.566 -10.223  -9.722
  183   2HZ   LYS  26          2HZ       LYS  26   1.899  -9.973 -10.658
  184   3HZ   LYS  26          3HZ       LYS  26   1.583 -11.475 -10.058
  185    H    ILE  27           H        ILE  27   4.295  -6.368  -5.392
  186    HA   ILE  27           HA       ILE  27   2.997  -7.840  -3.148
  187    HB   ILE  27           HB       ILE  27   3.347  -4.860  -3.429
  188   1HG1  ILE  27          1HG1      ILE  27   5.024  -6.757  -1.716
  189   2HG1  ILE  27          2HG1      ILE  27   5.593  -5.987  -3.205
  190   1HG2  ILE  27          1HG2      ILE  27   2.604  -6.603  -1.043
  191   2HG2  ILE  27          2HG2      ILE  27   2.667  -4.830  -1.068
  192   3HG2  ILE  27          3HG2      ILE  27   1.453  -5.668  -2.017
  193   1HD1  ILE  27          1HD1      ILE  27   6.432  -4.724  -1.381
  194   2HD1  ILE  27          2HD1      ILE  27   5.210  -3.744  -2.212
  195   3HD1  ILE  27          3HD1      ILE  27   4.826  -4.527  -0.663
  196    H    VAL  28           H        VAL  28   0.829  -8.027  -3.351
  197    HA   VAL  28           HA       VAL  28  -0.612  -6.589  -5.556
  198    HB   VAL  28           HB       VAL  28  -1.117  -9.332  -4.328
  199   1HG1  VAL  28          1HG1      VAL  28  -2.470  -7.876  -6.637
  200   2HG1  VAL  28          2HG1      VAL  28  -2.768  -9.561  -6.171
  201   3HG1  VAL  28          3HG1      VAL  28  -3.215  -8.252  -5.069
  202   1HG2  VAL  28          1HG2      VAL  28   0.881  -9.374  -5.758
  203   2HG2  VAL  28          2HG2      VAL  28  -0.469 -10.196  -6.549
  204   3HG2  VAL  28          3HG2      VAL  28  -0.015  -8.556  -7.058
  205    H    PHE  29           H        PHE  29  -1.497  -4.842  -4.495
  206    HA   PHE  29           HA       PHE  29  -2.727  -5.201  -1.815
  207   1HB   PHE  29          1HB       PHE  29  -2.361  -2.793  -3.591
  208   2HB   PHE  29          2HB       PHE  29  -3.168  -2.783  -2.037
  209    HD1  PHE  29           HD1      PHE  29  -1.896  -3.245   0.073
  210    HD2  PHE  29           HD2      PHE  29   0.025  -2.688  -3.744
  211    HE1  PHE  29           HE1      PHE  29   0.219  -2.620   1.231
  212    HE2  PHE  29           HE2      PHE  29   2.149  -2.116  -2.563
  213    HZ   PHE  29           HZ       PHE  29   2.246  -2.083  -0.103
  214    H    LYS  30           H        LYS  30  -4.621  -6.410  -2.115
  215    HA   LYS  30           HA       LYS  30  -6.426  -5.760  -4.358
  216   1HB   LYS  30          1HB       LYS  30  -5.811  -8.091  -3.793
  217   2HB   LYS  30          2HB       LYS  30  -6.652  -7.907  -2.242
  218   1HG   LYS  30          1HG       LYS  30  -8.794  -7.521  -3.434
  219   2HG   LYS  30          2HG       LYS  30  -7.934  -7.465  -4.972
  220   1HD   LYS  30          1HD       LYS  30  -9.039  -9.604  -4.752
  221   2HD   LYS  30          2HD       LYS  30  -7.287  -9.819  -4.774
  222   1HE   LYS  30          1HE       LYS  30  -8.368 -11.273  -3.099
  223   2HE   LYS  30          2HE       LYS  30  -7.258 -10.137  -2.326
  224   1HZ   LYS  30          1HZ       LYS  30 -10.178  -9.819  -2.515
  225   2HZ   LYS  30          2HZ       LYS  30  -9.350 -10.316  -1.181
  226   3HZ   LYS  30          3HZ       LYS  30  -9.144  -8.785  -1.751
  227    H    ASN  31           H        ASN  31  -8.287  -4.627  -4.214
  228    HA   ASN  31           HA       ASN  31  -9.039  -3.257  -1.814
  229   1HB   ASN  31          1HB       ASN  31  -9.603  -2.411  -4.063
  230   2HB   ASN  31          2HB       ASN  31 -10.676  -3.784  -4.330
  231   1HD2  ASN  31          1HD2      ASN  31 -12.925  -1.101  -3.248
  232   2HD2  ASN  31          2HD2      ASN  31 -12.071  -1.672  -4.667
  233    H    ASN  32           H        ASN  32  -9.816  -4.351   0.002
  234    HA   ASN  32           HA       ASN  32 -11.300  -6.878  -0.362
  235   1HB   ASN  32          1HB       ASN  32  -9.573  -6.785   1.301
  236   2HB   ASN  32          2HB       ASN  32 -10.324  -5.429   2.124
  237   1HD2  ASN  32          1HD2      ASN  32 -11.950  -9.170   2.603
  238   2HD2  ASN  32          2HD2      ASN  32 -10.841  -8.874   1.279
  239    H    ALA  33           H        ALA  33 -11.851  -4.104   1.772
  240    HA   ALA  33           HA       ALA  33 -14.554  -3.559   0.859
  241   1HB   ALA  33          1HB       ALA  33 -14.138  -4.954   3.542
  242   2HB   ALA  33          2HB       ALA  33 -15.666  -4.253   2.971
  243   3HB   ALA  33          3HB       ALA  33 -14.964  -5.654   2.140
  244    H    GLY  34           H        GLY  34 -15.534  -1.930   2.664
  245   1HA   GLY  34          1HA       GLY  34 -15.255   0.054   3.800
  246   2HA   GLY  34          2HA       GLY  34 -13.703  -0.559   4.392
  247    H    PHE  35           H        PHE  35 -14.317  -0.376   0.959
  248    HA   PHE  35           HA       PHE  35 -12.131   1.475   0.425
  249   1HB   PHE  35          1HB       PHE  35 -12.616   0.816  -1.910
  250   2HB   PHE  35          2HB       PHE  35 -12.434  -0.449  -0.764
  251    HD1  PHE  35           HD2      PHE  35 -15.142   1.588  -2.347
  252    HD2  PHE  35           HD1      PHE  35 -13.797  -2.267  -1.008
  253    HE1  PHE  35           HE2      PHE  35 -17.339   0.595  -2.991
  254    HE2  PHE  35           HE1      PHE  35 -16.053  -3.228  -1.474
  255    HZ   PHE  35           HZ       PHE  35 -17.783  -1.819  -2.556
  256    HA   PRO  36           HA       PRO  36 -12.400   2.779  -2.065
  257   1HB   PRO  36          1HB       PRO  36 -11.599   5.276  -2.564
  258   2HB   PRO  36          2HB       PRO  36 -13.169   4.649  -3.105
  259   1HG   PRO  36          1HG       PRO  36 -12.630   6.258  -0.586
  260   2HG   PRO  36          2HG       PRO  36 -13.858   6.592  -1.848
  261   1HD   PRO  36          1HD       PRO  36 -14.501   5.210   0.407
  262   2HD   PRO  36          2HD       PRO  36 -15.176   4.717  -1.171
  263    H    HIS  37           H        HIS  37 -10.155   2.909  -2.366
  264    HA   HIS  37           HA       HIS  37  -8.495   3.820  -0.160
  265   1HB   HIS  37          1HB       HIS  37  -8.406   0.945  -1.182
  266   2HB   HIS  37          2HB       HIS  37  -7.381   1.606   0.082
  267    HD2  HIS  37           HD2      HIS  37 -10.073  -0.703  -0.292
  268    HE1  HIS  37           HE1      HIS  37 -10.454   0.650   3.702
  269    HE2  HIS  37           HE2      HIS  37 -10.992  -1.226   2.074
  270    H    ASN  38           H        ASN  38  -6.148   3.283  -0.708
  271    HA   ASN  38           HA       ASN  38  -5.290   2.719  -3.293
  272   1HB   ASN  38          1HB       ASN  38  -4.533   4.829  -4.115
  273   2HB   ASN  38          2HB       ASN  38  -6.227   4.951  -3.818
  274   1HD2  ASN  38          1HD2      ASN  38  -5.105   8.162  -2.708
  275   2HD2  ASN  38          2HD2      ASN  38  -5.500   7.256  -4.148
  276    H    VAL  39           H        VAL  39  -2.727   3.353  -3.191
  277    HA   VAL  39           HA       VAL  39  -1.848   3.034  -0.350
  278    HB   VAL  39           HB       VAL  39  -0.780   1.454  -2.721
  279   1HG1  VAL  39          1HG1      VAL  39   0.430   0.222  -0.962
  280   2HG1  VAL  39          2HG1      VAL  39   0.883   1.925  -0.935
  281   3HG1  VAL  39          3HG1      VAL  39  -0.243   1.289   0.283
  282   1HG2  VAL  39          1HG2      VAL  39  -1.813  -0.489  -1.419
  283   2HG2  VAL  39          2HG2      VAL  39  -2.751   0.715  -0.521
  284   3HG2  VAL  39          3HG2      VAL  39  -2.957   0.550  -2.276
  285    H    VAL  40           H        VAL  40  -0.790   4.854   0.064
  286    HA   VAL  40           HA       VAL  40   0.961   6.025  -2.031
  287    HB   VAL  40           HB       VAL  40  -0.221   7.396   0.406
  288   1HG1  VAL  40          1HG1      VAL  40   1.796   8.468  -0.549
  289   2HG1  VAL  40          2HG1      VAL  40   1.078   8.416  -2.171
  290   3HG1  VAL  40          3HG1      VAL  40   0.367   9.447  -0.921
  291   1HG2  VAL  40          1HG2      VAL  40  -2.116   6.735  -0.987
  292   2HG2  VAL  40          2HG2      VAL  40  -1.816   8.466  -1.120
  293   3HG2  VAL  40          3HG2      VAL  40  -1.308   7.384  -2.433
  294    H    PHE  41           H        PHE  41   3.121   5.990  -1.586
  295    HA   PHE  41           HA       PHE  41   4.016   4.923   1.025
  296   1HB   PHE  41          1HB       PHE  41   5.359   5.396  -1.641
  297   2HB   PHE  41          2HB       PHE  41   6.250   4.974  -0.205
  298    HD1  PHE  41           HD2      PHE  41   5.879   2.846   0.999
  299    HD2  PHE  41           HD1      PHE  41   3.944   3.675  -2.732
  300    HE1  PHE  41           HE2      PHE  41   5.697   0.396   0.554
  301    HE2  PHE  41           HE1      PHE  41   3.462   1.243  -3.023
  302    HZ   PHE  41           HZ       PHE  41   4.409  -0.401  -1.419
  303    H    ASP  42           H        ASP  42   4.983   6.179   2.555
  304    HA   ASP  42           HA       ASP  42   4.773   9.046   2.328
  305   1HB   ASP  42          1HB       ASP  42   4.518   7.920   4.465
  306   2HB   ASP  42          2HB       ASP  42   6.158   7.267   4.358
  307    H    GLU  43           H        GLU  43   6.056  10.152   1.000
  308    HA   GLU  43           HA       GLU  43   8.263   9.428  -0.361
  309   1HB   GLU  43          1HB       GLU  43   8.701  11.845  -0.678
  310   2HB   GLU  43          2HB       GLU  43   7.012  11.379  -0.912
  311   1HG   GLU  43          1HG       GLU  43   6.465  12.224   1.388
  312   2HG   GLU  43          2HG       GLU  43   8.154  12.713   1.587
  313    H    ASP  44           H        ASP  44   8.438  10.594   2.987
  314    HA   ASP  44           HA       ASP  44  11.378  10.791   2.856
  315   1HB   ASP  44          1HB       ASP  44  10.168  12.402   4.210
  316   2HB   ASP  44          2HB       ASP  44   9.399  11.110   5.147
  317    H    GLU  45           H        GLU  45   8.939   8.744   4.483
  318    HA   GLU  45           HA       GLU  45  10.952   6.982   5.636
  319   1HB   GLU  45          1HB       GLU  45   7.945   6.812   5.551
  320   2HB   GLU  45          2HB       GLU  45   9.004   5.820   6.567
  321   1HG   GLU  45          1HG       GLU  45   9.758   7.808   7.790
  322   2HG   GLU  45          2HG       GLU  45   8.780   8.869   6.770
  323    H    ILE  46           H        ILE  46  11.592   6.823   3.132
  324    HA   ILE  46           HA       ILE  46  11.132   4.032   2.439
  325    HB   ILE  46           HB       ILE  46  10.776   4.597   0.017
  326   1HG1  ILE  46          1HG1      ILE  46  10.042   7.369   1.023
  327   2HG1  ILE  46          2HG1      ILE  46  11.511   6.979   0.125
  328   1HG2  ILE  46          1HG2      ILE  46   8.928   3.869   1.561
  329   2HG2  ILE  46          2HG2      ILE  46   8.436   5.564   1.679
  330   3HG2  ILE  46          3HG2      ILE  46   8.436   4.734   0.111
  331   1HD1  ILE  46          1HD1      ILE  46   8.657   6.802  -0.894
  332   2HD1  ILE  46          2HD1      ILE  46   9.969   7.857  -1.451
  333   3HD1  ILE  46          3HD1      ILE  46  10.055   6.113  -1.756
  334    HA   PRO  47           HA       PRO  47  15.449   4.382   1.535
  335   1HB   PRO  47          1HB       PRO  47  14.904   3.010  -1.107
  336   2HB   PRO  47          2HB       PRO  47  16.172   2.654   0.097
  337   1HG   PRO  47          1HG       PRO  47  13.968   1.107  -0.015
  338   2HG   PRO  47          2HG       PRO  47  14.546   1.677   1.580
  339   1HD   PRO  47          1HD       PRO  47  12.318   2.880  -0.093
  340   2HD   PRO  47          2HD       PRO  47  12.329   2.432   1.637
  341    H    ALA  48           H        ALA  48  16.050   6.461   1.145
  342    HA   ALA  48           HA       ALA  48  15.031   8.266  -0.691
  343   1HB   ALA  48          1HB       ALA  48  17.081   9.567  -0.293
  344   2HB   ALA  48          2HB       ALA  48  16.409   8.917   1.217
  345   3HB   ALA  48          3HB       ALA  48  17.840   8.157   0.480
  346    H    GLY  49           H        GLY  49  14.868   7.894  -2.793
  347   1HA   GLY  49          1HA       GLY  49  16.499   8.158  -4.828
  348   2HA   GLY  49          2HA       GLY  49  16.999   6.521  -4.348
  349    H    VAL  50           H        VAL  50  14.358   5.676  -3.351
  350    HA   VAL  50           HA       VAL  50  13.247   4.890  -5.936
  351    HB   VAL  50           HB       VAL  50  12.211   4.363  -3.121
  352   1HG1  VAL  50          1HG1      VAL  50  11.588   3.108  -5.843
  353   2HG1  VAL  50          2HG1      VAL  50  11.034   2.472  -4.288
  354   3HG1  VAL  50          3HG1      VAL  50  10.468   4.056  -4.842
  355   1HG2  VAL  50          1HG2      VAL  50  14.489   3.418  -3.456
  356   2HG2  VAL  50          2HG2      VAL  50  13.256   2.153  -3.399
  357   3HG2  VAL  50          3HG2      VAL  50  13.945   2.647  -4.960
  358    H    ASP  51           H        ASP  51  12.147   6.421  -7.055
  359    HA   ASP  51           HA       ASP  51  10.936   8.721  -5.977
  360   1HB   ASP  51          1HB       ASP  51  11.571   8.579  -8.309
  361   2HB   ASP  51          2HB       ASP  51  10.419   7.263  -8.587
  362    H    ALA  52           H        ALA  52   9.371   8.687  -4.525
  363    HA   ALA  52           HA       ALA  52   7.567   6.761  -3.803
  364   1HB   ALA  52          1HB       ALA  52   8.014   8.810  -2.541
  365   2HB   ALA  52          2HB       ALA  52   7.056   9.747  -3.710
  366   3HB   ALA  52          3HB       ALA  52   6.280   8.479  -2.724
  367    H    VAL  53           H        VAL  53   7.172   9.227  -6.361
  368    HA   VAL  53           HA       VAL  53   4.429   8.830  -6.896
  369    HB   VAL  53           HB       VAL  53   6.643   9.701  -8.798
  370   1HG1  VAL  53          1HG1      VAL  53   4.805  10.930  -9.960
  371   2HG1  VAL  53          2HG1      VAL  53   4.636   9.179 -10.082
  372   3HG1  VAL  53          3HG1      VAL  53   3.624  10.088  -8.936
  373   1HG2  VAL  53          1HG2      VAL  53   4.811  11.324  -6.970
  374   2HG2  VAL  53          2HG2      VAL  53   6.566  11.140  -6.774
  375   3HG2  VAL  53          3HG2      VAL  53   5.927  12.001  -8.173
  376    H    LYS  54           H        LYS  54   7.218   6.825  -7.824
  377    HA   LYS  54           HA       LYS  54   5.636   5.429  -9.894
  378   1HB   LYS  54          1HB       LYS  54   8.373   4.806  -8.732
  379   2HB   LYS  54          2HB       LYS  54   7.643   3.995 -10.108
  380   1HG   LYS  54          1HG       LYS  54   8.442   6.917  -9.916
  381   2HG   LYS  54          2HG       LYS  54   9.261   5.670 -10.846
  382   1HD   LYS  54          1HD       LYS  54   6.486   6.844 -11.418
  383   2HD   LYS  54          2HD       LYS  54   7.989   7.187 -12.251
  384   1HE   LYS  54          1HE       LYS  54   6.955   5.713 -13.702
  385   2HE   LYS  54          2HE       LYS  54   8.097   4.666 -12.847
  386   1HZ   LYS  54          1HZ       LYS  54   5.220   4.959 -12.278
  387   2HZ   LYS  54          2HZ       LYS  54   5.924   3.703 -13.075
  388   3HZ   LYS  54          3HZ       LYS  54   6.240   3.944 -11.480
  389    H    ILE  55           H        ILE  55   6.740   4.822  -6.577
  390    HA   ILE  55           HA       ILE  55   5.597   2.127  -6.517
  391    HB   ILE  55           HB       ILE  55   6.091   2.132  -4.188
  392   1HG1  ILE  55          1HG1      ILE  55   7.496   4.789  -4.742
  393   2HG1  ILE  55          2HG1      ILE  55   5.995   4.618  -3.796
  394   1HG2  ILE  55          1HG2      ILE  55   8.453   1.848  -4.515
  395   2HG2  ILE  55          2HG2      ILE  55   7.617   1.289  -5.962
  396   3HG2  ILE  55          3HG2      ILE  55   8.436   2.870  -5.971
  397   1HD1  ILE  55          1HD1      ILE  55   8.742   3.544  -3.177
  398   2HD1  ILE  55          2HD1      ILE  55   7.727   4.607  -2.189
  399   3HD1  ILE  55          3HD1      ILE  55   7.271   2.890  -2.424
  400    H    SER  56           H        SER  56   4.472   5.366  -5.680
  401    HA   SER  56           HA       SER  56   2.194   4.381  -4.116
  402   1HB   SER  56          1HB       SER  56   2.967   7.164  -5.034
  403   2HB   SER  56          2HB       SER  56   1.730   6.787  -3.855
  404    HG   SER  56           HG       SER  56   4.528   6.495  -3.715
  405    H    MET  57           H        MET  57   0.063   4.541  -4.626
  406    HA   MET  57           HA       MET  57  -0.788   5.002  -7.390
  407   1HB   MET  57          1HB       MET  57  -2.135   4.591  -4.687
  408   2HB   MET  57          2HB       MET  57  -3.078   5.146  -6.066
  409   1HG   MET  57          1HG       MET  57  -1.345   2.675  -6.224
  410   2HG   MET  57          2HG       MET  57  -3.003   2.592  -5.630
  411   1HE   MET  57          1HE       MET  57  -5.168   3.381  -8.732
  412   2HE   MET  57          2HE       MET  57  -5.141   2.867  -7.031
  413   3HE   MET  57          3HE       MET  57  -4.702   4.536  -7.469
  414    HA   PRO  58           HA       PRO  58  -0.436   9.436  -6.403
  415   1HB   PRO  58          1HB       PRO  58  -1.925  10.546  -8.462
  416   2HB   PRO  58          2HB       PRO  58  -0.246   9.961  -8.631
  417   1HG   PRO  58          1HG       PRO  58  -2.790   8.487  -9.298
  418   2HG   PRO  58          2HG       PRO  58  -1.327   8.640 -10.311
  419   1HD   PRO  58          1HD       PRO  58  -1.817   6.434  -8.807
  420   2HD   PRO  58          2HD       PRO  58  -0.148   7.068  -8.929
  421    H    GLU  59           H        GLU  59  -1.688  10.565  -4.939
  422    HA   GLU  59           HA       GLU  59  -3.821   9.495  -3.675
  423   1HB   GLU  59          1HB       GLU  59  -3.361  12.491  -3.907
  424   2HB   GLU  59          2HB       GLU  59  -4.220  11.620  -2.629
  425   1HG   GLU  59          1HG       GLU  59  -1.939  10.290  -2.388
  426   2HG   GLU  59          2HG       GLU  59  -1.244  11.686  -3.226
  427    H    GLU  60           H        GLU  60  -4.027  11.497  -6.532
  428    HA   GLU  60           HA       GLU  60  -6.747  12.150  -6.609
  429   1HB   GLU  60          1HB       GLU  60  -4.950  13.019  -8.104
  430   2HB   GLU  60          2HB       GLU  60  -4.835  11.428  -8.880
  431   1HG   GLU  60          1HG       GLU  60  -7.177  11.665  -9.689
  432   2HG   GLU  60          2HG       GLU  60  -7.292  13.237  -8.881
  433    H    GLU  61           H        GLU  61  -5.087   9.167  -7.607
  434    HA   GLU  61           HA       GLU  61  -7.545   7.973  -8.643
  435   1HB   GLU  61          1HB       GLU  61  -4.680   6.972  -8.365
  436   2HB   GLU  61          2HB       GLU  61  -5.994   6.080  -9.132
  437   1HG   GLU  61          1HG       GLU  61  -4.920   8.791 -10.056
  438   2HG   GLU  61          2HG       GLU  61  -4.637   7.220 -10.822
  439    H    LEU  62           H        LEU  62  -8.579   6.229  -7.856
  440    HA   LEU  62           HA       LEU  62  -7.934   5.200  -5.155
  441   1HB   LEU  62          1HB       LEU  62 -10.565   6.435  -6.064
  442   2HB   LEU  62          2HB       LEU  62 -10.369   5.503  -4.580
  443    HG   LEU  62           HG       LEU  62  -8.882   8.113  -5.154
  444   1HD1  LEU  62          1HD1      LEU  62 -11.304   8.460  -5.041
  445   2HD1  LEU  62          2HD1      LEU  62 -11.373   7.564  -3.505
  446   3HD1  LEU  62          3HD1      LEU  62 -10.500   9.113  -3.599
  447   1HD2  LEU  62          1HD2      LEU  62  -9.271   6.454  -2.615
  448   2HD2  LEU  62          2HD2      LEU  62  -7.750   6.668  -3.491
  449   3HD2  LEU  62          3HD2      LEU  62  -8.496   8.057  -2.702
  450    H    LEU  63           H        LEU  63  -8.657   3.147  -4.831
  451    HA   LEU  63           HA       LEU  63  -9.653   1.555  -7.099
  452   1HB   LEU  63          1HB       LEU  63  -8.936   0.776  -4.242
  453   2HB   LEU  63          2HB       LEU  63  -9.267  -0.323  -5.585
  454    HG   LEU  63           HG       LEU  63  -6.921   1.638  -5.412
  455   1HD1  LEU  63          1HD1      LEU  63  -6.819  -0.206  -3.817
  456   2HD1  LEU  63          2HD1      LEU  63  -7.046  -1.390  -5.127
  457   3HD1  LEU  63          3HD1      LEU  63  -5.577  -0.387  -5.064
  458   1HD2  LEU  63          1HD2      LEU  63  -6.036   0.354  -7.369
  459   2HD2  LEU  63          2HD2      LEU  63  -7.586  -0.497  -7.488
  460   3HD2  LEU  63          3HD2      LEU  63  -7.501   1.256  -7.773
  461    H    ASN  64           H        ASN  64 -11.782   2.101  -7.392
  462    HA   ASN  64           HA       ASN  64 -13.567   2.590  -5.117
  463   1HB   ASN  64          1HB       ASN  64 -15.188   3.231  -6.788
  464   2HB   ASN  64          2HB       ASN  64 -13.659   4.088  -7.019
  465   1HD2  ASN  64          1HD2      ASN  64 -15.013   2.829 -10.335
  466   2HD2  ASN  64          2HD2      ASN  64 -15.747   3.755  -9.039
  467    H    ALA  65           H        ALA  65 -13.416   0.269  -7.879
  468    HA   ALA  65           HA       ALA  65 -15.702  -1.182  -6.846
  469   1HB   ALA  65          1HB       ALA  65 -13.741  -1.938  -9.044
  470   2HB   ALA  65          2HB       ALA  65 -15.293  -2.723  -8.721
  471   3HB   ALA  65          3HB       ALA  65 -15.250  -1.030  -9.255
  472    HA   PRO  66           HA       PRO  66 -13.456  -3.868  -4.058
  473   1HB   PRO  66          1HB       PRO  66 -15.032  -6.112  -4.043
  474   2HB   PRO  66          2HB       PRO  66 -15.473  -4.594  -3.227
  475   1HG   PRO  66          1HG       PRO  66 -16.343  -5.540  -5.965
  476   2HG   PRO  66          2HG       PRO  66 -17.375  -4.885  -4.657
  477   1HD   PRO  66          1HD       PRO  66 -16.534  -3.329  -6.700
  478   2HD   PRO  66          2HD       PRO  66 -16.571  -2.665  -5.038
  479    H    GLY  67           H        GLY  67 -11.970  -5.693  -4.186
  480   1HA   GLY  67          1HA       GLY  67 -10.967  -7.511  -5.171
  481   2HA   GLY  67          2HA       GLY  67 -12.026  -7.406  -6.575
  482    H    GLU  68           H        GLU  68 -11.197  -4.385  -6.858
  483    HA   GLU  68           HA       GLU  68  -9.247  -4.706  -8.821
  484   1HB   GLU  68          1HB       GLU  68  -9.805  -2.314  -7.024
  485   2HB   GLU  68          2HB       GLU  68  -8.768  -2.269  -8.463
  486   1HG   GLU  68          1HG       GLU  68 -10.641  -2.990  -9.889
  487   2HG   GLU  68          2HG       GLU  68 -11.718  -3.029  -8.490
  488    H    THR  69           H        THR  69  -7.096  -5.127  -8.829
  489    HA   THR  69           HA       THR  69  -5.597  -5.188  -6.273
  490    HB   THR  69           HB       THR  69  -4.056  -6.575  -7.767
  491    HG1  THR  69           HG1      THR  69  -5.061  -5.814  -9.702
  492   1HG2  THR  69          1HG2      THR  69  -6.863  -7.624  -7.250
  493   2HG2  THR  69          2HG2      THR  69  -5.406  -8.606  -7.519
  494   3HG2  THR  69          3HG2      THR  69  -5.521  -7.565  -6.080
  495    OH   TYR  70           OH       TYR  70   2.030   1.396  -7.302
  496    H    TYR  70           H        TYR  70  -4.223  -3.585  -5.918
  497    HA   TYR  70           HA       TYR  70  -2.973  -2.164  -8.232
  498   1HB   TYR  70          1HB       TYR  70  -3.768  -0.649  -6.540
  499   2HB   TYR  70          2HB       TYR  70  -2.968  -1.543  -5.260
  500    HD1  TYR  70           HD1      TYR  70  -2.024  -0.104  -8.631
  501    HD2  TYR  70           HD2      TYR  70  -0.988  -0.492  -4.458
  502    HE1  TYR  70           HE1      TYR  70   0.179   0.924  -9.078
  503    HE2  TYR  70           HE2      TYR  70   1.184   0.611  -4.907
  504    HH   TYR  70           HH       TYR  70   2.538   1.602  -6.510
  505    H    VAL  71           H        VAL  71  -1.321  -3.358  -9.016
  506    HA   VAL  71           HA       VAL  71   0.278  -5.031  -7.187
  507    HB   VAL  71           HB       VAL  71   0.335  -4.897 -10.221
  508   1HG1  VAL  71          1HG1      VAL  71   1.402  -7.157  -9.921
  509   2HG1  VAL  71          2HG1      VAL  71   2.384  -5.847  -9.253
  510   3HG1  VAL  71          3HG1      VAL  71   1.424  -6.868  -8.164
  511   1HG2  VAL  71          1HG2      VAL  71  -1.180  -6.773  -8.351
  512   2HG2  VAL  71          2HG2      VAL  71  -1.903  -5.636  -9.509
  513   3HG2  VAL  71          3HG2      VAL  71  -0.980  -7.021 -10.096
  514    H    VAL  72           H        VAL  72   2.426  -4.621  -6.749
  515    HA   VAL  72           HA       VAL  72   3.941  -2.630  -8.311
  516    HB   VAL  72           HB       VAL  72   2.716  -1.348  -6.549
  517   1HG1  VAL  72          1HG1      VAL  72   3.451  -1.514  -4.217
  518   2HG1  VAL  72          2HG1      VAL  72   2.633  -3.001  -4.752
  519   3HG1  VAL  72          3HG1      VAL  72   4.408  -2.955  -4.590
  520   1HG2  VAL  72          1HG2      VAL  72   4.537  -0.010  -5.825
  521   2HG2  VAL  72          2HG2      VAL  72   5.708  -1.309  -6.043
  522   3HG2  VAL  72          3HG2      VAL  72   4.912  -0.576  -7.460
  523    H    THR  73           H        THR  73   6.262  -2.671  -7.498
  524    HA   THR  73           HA       THR  73   7.038  -5.217  -6.222
  525    HB   THR  73           HB       THR  73   7.987  -4.436  -9.022
  526    HG1  THR  73           HG1      THR  73   5.862  -5.954  -8.101
  527   1HG2  THR  73          1HG2      THR  73   8.955  -6.717  -9.017
  528   2HG2  THR  73          2HG2      THR  73   9.653  -5.740  -7.713
  529   3HG2  THR  73          3HG2      THR  73   8.402  -6.949  -7.350
  530    H    LEU  74           H        LEU  74   8.768  -4.870  -4.921
  531    HA   LEU  74           HA       LEU  74  10.182  -2.240  -5.156
  532   1HB   LEU  74          1HB       LEU  74   9.678  -3.889  -2.674
  533   2HB   LEU  74          2HB       LEU  74  10.443  -2.293  -2.796
  534    HG   LEU  74           HG       LEU  74   7.520  -2.924  -3.429
  535   1HD1  LEU  74          1HD1      LEU  74   8.066  -3.006  -1.013
  536   2HD1  LEU  74          2HD1      LEU  74   8.760  -1.374  -1.120
  537   3HD1  LEU  74          3HD1      LEU  74   7.027  -1.628  -1.412
  538   1HD2  LEU  74          1HD2      LEU  74   9.056  -0.290  -3.434
  539   2HD2  LEU  74          2HD2      LEU  74   8.252  -1.047  -4.825
  540   3HD2  LEU  74          3HD2      LEU  74   7.284  -0.421  -3.489
  541    H    ASP  75           H        ASP  75  12.168  -2.447  -5.870
  542    HA   ASP  75           HA       ASP  75  13.650  -4.994  -5.666
  543   1HB   ASP  75          1HB       ASP  75  13.586  -3.882  -7.824
  544   2HB   ASP  75          2HB       ASP  75  14.201  -2.377  -7.120
  545    H    THR  76           H        THR  76  14.047  -1.530  -4.697
  546    HA   THR  76           HA       THR  76  16.601  -1.979  -3.490
  547    HB   THR  76           HB       THR  76  14.683   0.319  -2.963
  548    HG1  THR  76           HG1      THR  76  16.309  -0.199  -5.225
  549   1HG2  THR  76          1HG2      THR  76  16.753   1.648  -2.893
  550   2HG2  THR  76          2HG2      THR  76  16.792   0.363  -1.673
  551   3HG2  THR  76          3HG2      THR  76  17.725   0.191  -3.177
  552    H    LYS  77           H        LYS  77  16.975  -2.934  -1.560
  553    HA   LYS  77           HA       LYS  77  14.918  -3.697   0.238
  554   1HB   LYS  77          1HB       LYS  77  16.749  -4.390   1.737
  555   2HB   LYS  77          2HB       LYS  77  16.876  -5.023   0.093
  556   1HG   LYS  77          1HG       LYS  77  18.615  -3.387  -0.458
  557   2HG   LYS  77          2HG       LYS  77  18.449  -2.620   1.133
  558   1HD   LYS  77          1HD       LYS  77  19.154  -4.695   2.242
  559   2HD   LYS  77          2HD       LYS  77  19.217  -5.550   0.691
  560   1HE   LYS  77          1HE       LYS  77  20.955  -3.142   1.417
  561   2HE   LYS  77          2HE       LYS  77  21.463  -4.836   1.531
  562   1HZ   LYS  77          1HZ       LYS  77  22.187  -3.875  -0.498
  563   2HZ   LYS  77          2HZ       LYS  77  21.084  -5.056  -0.816
  564   3HZ   LYS  77          3HZ       LYS  77  20.655  -3.469  -0.938
  565    H    GLY  78           H        GLY  78  14.537  -3.053   2.421
  566   1HA   GLY  78          1HA       GLY  78  15.348  -1.350   4.164
  567   2HA   GLY  78          2HA       GLY  78  14.898  -0.140   2.950
  568    H    THR  79           H        THR  79  13.584   0.150   5.222
  569    HA   THR  79           HA       THR  79  10.983  -1.259   5.064
  570    HB   THR  79           HB       THR  79  12.190   0.447   7.245
  571    HG1  THR  79           HG1      THR  79  11.555  -2.330   7.241
  572   1HG2  THR  79          1HG2      THR  79   9.548  -1.088   7.126
  573   2HG2  THR  79          2HG2      THR  79  10.269  -0.399   8.597
  574   3HG2  THR  79          3HG2      THR  79   9.744   0.671   7.290
  575    OH   TYR  80           OH       TYR  80  12.092  -0.046  -2.237
  576    H    TYR  80           H        TYR  80   9.488  -0.373   3.925
  577    HA   TYR  80           HA       TYR  80   9.465   2.544   3.346
  578   1HB   TYR  80          1HB       TYR  80   8.044   0.153   2.113
  579   2HB   TYR  80          2HB       TYR  80   7.783   1.815   1.640
  580    HD1  TYR  80           HD2      TYR  80  10.688  -0.582   2.026
  581    HD2  TYR  80           HD1      TYR  80   8.646   2.294  -0.447
  582    HE1  TYR  80           HE2      TYR  80  12.294  -1.000   0.230
  583    HE2  TYR  80           HE1      TYR  80  10.160   1.740  -2.313
  584    HH   TYR  80           HH       TYR  80  12.735  -0.719  -1.981
  585    H    SER  81           H        SER  81   7.780   3.774   4.198
  586    HA   SER  81           HA       SER  81   5.605   2.325   5.677
  587   1HB   SER  81          1HB       SER  81   6.423   5.231   5.878
  588   2HB   SER  81          2HB       SER  81   5.261   4.374   6.897
  589    HG   SER  81           HG       SER  81   8.007   3.673   6.631
  590    H    PHE  82           H        PHE  82   3.439   2.619   5.070
  591    HA   PHE  82           HA       PHE  82   2.883   4.565   2.935
  592   1HB   PHE  82          1HB       PHE  82   1.658   2.850   1.627
  593   2HB   PHE  82          2HB       PHE  82   3.352   2.565   1.711
  594    HD1  PHE  82           HD2      PHE  82   0.114   1.584   3.346
  595    HD2  PHE  82           HD1      PHE  82   4.143   0.325   2.379
  596    HE1  PHE  82           HE2      PHE  82  -0.315  -0.624   4.338
  597    HE2  PHE  82           HE1      PHE  82   3.637  -1.905   3.284
  598    HZ   PHE  82           HZ       PHE  82   1.449  -2.364   4.356
  599    OH   TYR  83           OH       TYR  83   0.151  10.800   1.326
  600    H    TYR  83           H        TYR  83   0.597   4.724   2.446
  601    HA   TYR  83           HA       TYR  83  -1.251   4.150   4.646
  602   1HB   TYR  83          1HB       TYR  83  -1.783   6.429   5.129
  603   2HB   TYR  83          2HB       TYR  83  -0.053   6.215   5.365
  604    HD1  TYR  83           HD1      TYR  83   1.571   7.146   3.647
  605    HD2  TYR  83           HD2      TYR  83  -2.649   8.021   3.572
  606    HE1  TYR  83           HE1      TYR  83   2.007   9.177   2.271
  607    HE2  TYR  83           HE2      TYR  83  -2.206  10.022   2.176
  608    HH   TYR  83           HH       TYR  83  -0.660  11.152   0.940
  609    H    CYS  84           H        CYS  84  -3.437   4.837   4.232
  610    HA   CYS  84           HA       CYS  84  -4.152   4.797   1.313
  611   1HB   CYS  84          1HB       CYS  84  -5.189   2.997   2.587
  612   2HB   CYS  84          2HB       CYS  84  -5.619   4.139   3.874
  613    H    SER  85           H        SER  85  -4.270   6.817   0.557
  614    HA   SER  85           HA       SER  85  -4.288   9.092   1.950
  615   1HB   SER  85          1HB       SER  85  -3.955   8.802  -0.514
  616   2HB   SER  85          2HB       SER  85  -5.698   8.938  -0.726
  617    HG   SER  85           HG       SER  85  -3.848  10.854   0.197
  618    HA   PRO  86           HA       PRO  86  -8.963   9.998   2.092
  619   1HB   PRO  86          1HB       PRO  86 -10.833   8.031   1.673
  620   2HB   PRO  86          2HB       PRO  86 -10.142   9.034   0.367
  621   1HG   PRO  86          1HG       PRO  86  -9.191   6.304   1.274
  622   2HG   PRO  86          2HG       PRO  86  -9.644   6.796  -0.383
  623   1HD   PRO  86          1HD       PRO  86  -7.053   6.859   0.305
  624   2HD   PRO  86          2HD       PRO  86  -7.758   8.268  -0.537
  625    H    HIS  87           H        HIS  87  -7.295   7.406   3.613
  626    HA   HIS  87           HA       HIS  87  -9.028   7.727   6.023
  627   1HB   HIS  87          1HB       HIS  87  -7.857   5.174   4.917
  628   2HB   HIS  87          2HB       HIS  87  -8.637   5.318   6.495
  629    HD2  HIS  87           HD2      HIS  87 -11.289   6.729   6.041
  630    HE1  HIS  87           HE1      HIS  87 -12.108   3.940   2.947
  631    HE2  HIS  87           HE2      HIS  87 -13.124   5.641   4.532
  632    H    GLN  88           H        GLN  88  -6.377   8.903   4.933
  633    HA   GLN  88           HA       GLN  88  -4.289   7.932   6.572
  634   1HB   GLN  88          1HB       GLN  88  -3.936   9.516   4.718
  635   2HB   GLN  88          2HB       GLN  88  -4.910  10.731   5.523
  636   1HG   GLN  88          1HG       GLN  88  -2.663  11.379   5.802
  637   2HG   GLN  88          2HG       GLN  88  -3.187  10.816   7.385
  638   1HE2  GLN  88          1HE2      GLN  88   0.139   9.264   5.874
  639   2HE2  GLN  88          2HE2      GLN  88  -0.552  10.805   5.409
  640    H    GLY  89           H        GLY  89  -6.674  10.547   7.108
  641   1HA   GLY  89          1HA       GLY  89  -6.019  11.268   9.745
  642   2HA   GLY  89          2HA       GLY  89  -7.624  11.412   9.009
  643    H    ALA  90           H        ALA  90  -7.946   8.523   8.537
  644    HA   ALA  90           HA       ALA  90  -8.900   7.762  11.195
  645   1HB   ALA  90          1HB       ALA  90  -9.070   6.292   8.542
  646   2HB   ALA  90          2HB       ALA  90  -9.960   5.910  10.027
  647   3HB   ALA  90          3HB       ALA  90 -10.281   7.432   9.173
  648    H    GLY  91           H        GLY  91  -5.845   7.563   9.849
  649   1HA   GLY  91          1HA       GLY  91  -4.018   6.473  10.611
  650   2HA   GLY  91          2HA       GLY  91  -5.009   5.561  11.755
  651    H    MET  92           H        MET  92  -5.816   5.478   8.268
  652    HA   MET  92           HA       MET  92  -5.229   2.597   8.295
  653   1HB   MET  92          1HB       MET  92  -7.223   3.425   7.155
  654   2HB   MET  92          2HB       MET  92  -6.198   4.333   6.025
  655   1HG   MET  92          1HG       MET  92  -5.243   2.291   5.144
  656   2HG   MET  92          2HG       MET  92  -5.876   1.344   6.480
  657   1HE   MET  92          1HE       MET  92  -5.880   0.465   3.404
  658   2HE   MET  92          2HE       MET  92  -6.264  -0.466   4.859
  659   3HE   MET  92          3HE       MET  92  -7.416  -0.428   3.507
  660    H    VAL  93           H        VAL  93  -3.022   2.814   8.812
  661    HA   VAL  93           HA       VAL  93  -1.212   3.443   6.530
  662    HB   VAL  93           HB       VAL  93   0.469   4.153   8.080
  663   1HG1  VAL  93          1HG1      VAL  93  -2.128   5.568   8.829
  664   2HG1  VAL  93          2HG1      VAL  93  -0.485   6.230   8.861
  665   3HG1  VAL  93          3HG1      VAL  93  -1.248   5.822   7.316
  666   1HG2  VAL  93          1HG2      VAL  93  -1.563   3.612  10.280
  667   2HG2  VAL  93          2HG2      VAL  93  -0.065   2.697   9.993
  668   3HG2  VAL  93          3HG2      VAL  93   0.015   4.398  10.489
  669    H    GLY  94           H        GLY  94   0.941   2.266   6.706
  670   1HA   GLY  94          1HA       GLY  94   1.093  -0.172   8.200
  671   2HA   GLY  94          2HA       GLY  94   0.590  -0.488   6.528
  672    H    LYS  95           H        LYS  95   2.941  -1.595   6.977
  673    HA   LYS  95           HA       LYS  95   4.872   0.134   5.598
  674   1HB   LYS  95          1HB       LYS  95   5.703  -1.275   8.174
  675   2HB   LYS  95          2HB       LYS  95   6.678  -0.217   7.154
  676   1HG   LYS  95          1HG       LYS  95   5.090   1.685   7.773
  677   2HG   LYS  95          2HG       LYS  95   4.359   0.574   8.946
  678   1HD   LYS  95          1HD       LYS  95   6.637   0.293   9.997
  679   2HD   LYS  95          2HD       LYS  95   7.285   1.444   8.815
  680   1HE   LYS  95          1HE       LYS  95   6.869   2.574  10.930
  681   2HE   LYS  95          2HE       LYS  95   5.792   3.216   9.681
  682   1HZ   LYS  95          1HZ       LYS  95   4.041   1.874  10.573
  683   2HZ   LYS  95          2HZ       LYS  95   5.053   1.180  11.675
  684   3HZ   LYS  95          3HZ       LYS  95   4.689   2.785  11.780
  685    H    VAL  96           H        VAL  96   6.773  -1.070   4.836
  686    HA   VAL  96           HA       VAL  96   6.494  -4.000   4.806
  687    HB   VAL  96           HB       VAL  96   5.157  -3.515   3.011
  688   1HG1  VAL  96          1HG1      VAL  96   5.975  -1.127   2.518
  689   2HG1  VAL  96          2HG1      VAL  96   7.333  -1.878   1.651
  690   3HG1  VAL  96          3HG1      VAL  96   5.675  -2.135   1.094
  691   1HG2  VAL  96          1HG2      VAL  96   6.802  -5.327   2.702
  692   2HG2  VAL  96          2HG2      VAL  96   6.247  -4.586   1.183
  693   3HG2  VAL  96          3HG2      VAL  96   7.852  -4.187   1.819
  694    H    THR  97           H        THR  97   8.341  -4.875   5.143
  695    HA   THR  97           HA       THR  97  10.860  -3.328   4.783
  696    HB   THR  97           HB       THR  97  10.275  -5.710   6.528
  697    HG1  THR  97           HG1      THR  97   9.389  -3.792   7.238
  698   1HG2  THR  97          1HG2      THR  97  12.518  -5.149   7.498
  699   2HG2  THR  97          2HG2      THR  97  12.637  -5.774   5.847
  700   3HG2  THR  97          3HG2      THR  97  12.808  -4.032   6.150
  701    H    VAL  98           H        VAL  98  11.460  -3.475   2.758
  702    HA   VAL  98           HA       VAL  98  11.381  -5.943   1.253
  703    HB   VAL  98           HB       VAL  98  12.758  -3.304   0.663
  704   1HG1  VAL  98          1HG1      VAL  98  12.619  -4.057  -1.687
  705   2HG1  VAL  98          2HG1      VAL  98  13.517  -5.258  -0.743
  706   3HG1  VAL  98          3HG1      VAL  98  11.823  -5.560  -1.179
  707   1HG2  VAL  98          1HG2      VAL  98  10.755  -2.816  -0.670
  708   2HG2  VAL  98          2HG2      VAL  98   9.977  -4.301  -0.092
  709   3HG2  VAL  98          3HG2      VAL  98  10.326  -2.968   1.028
  710    H    ASN  99           H        ASN  99  12.941  -7.535   1.524
  711    HA   ASN  99           HA       ASN  99  15.683  -6.811   2.462
  712   1HB   ASN  99          1HB       ASN  99  15.552  -8.223   4.406
  713   2HB   ASN  99          2HB       ASN  99  14.208  -7.081   4.511
  714   1HD2  ASN  99          1HD2      ASN  99  11.717  -9.656   3.919
  715   2HD2  ASN  99          2HD2      ASN  99  11.994  -7.922   3.746
   
  Start of MODEL           3
 Raw file had 715 H/Q atoms
  Start of MODEL    3
    1    H    LEU   1           H        LEU   1   3.824  -9.527  -2.346
    2    HA   LEU   1           HA       LEU   1   2.812 -11.248  -0.871
    3   1HB   LEU   1          1HB       LEU   1   3.878  -9.862   1.107
    4   2HB   LEU   1          2HB       LEU   1   2.350  -8.986   1.096
    5    HG   LEU   1           HG       LEU   1   1.280 -11.394   1.374
    6   1HD1  LEU   1          1HD1      LEU   1   2.777 -12.991   2.519
    7   2HD1  LEU   1          2HD1      LEU   1   3.392 -12.654   0.890
    8   3HD1  LEU   1          3HD1      LEU   1   4.149 -11.884   2.301
    9   1HD2  LEU   1          1HD2      LEU   1   1.275  -9.643   3.093
   10   2HD2  LEU   1          2HD2      LEU   1   1.545 -11.250   3.798
   11   3HD2  LEU   1          3HD2      LEU   1   2.908 -10.126   3.603
   12    H    GLU   2           H        GLU   2   0.476 -11.426  -0.434
   13    HA   GLU   2           HA       GLU   2  -1.120  -9.524  -2.054
   14   1HB   GLU   2          1HB       GLU   2  -1.264 -11.966  -2.492
   15   2HB   GLU   2          2HB       GLU   2  -1.969 -12.177  -0.872
   16   1HG   GLU   2          1HG       GLU   2  -3.829 -10.637  -1.502
   17   2HG   GLU   2          2HG       GLU   2  -3.100 -10.407  -3.100
   18    H    VAL   3           H        VAL   3  -1.339  -7.802  -0.778
   19    HA   VAL   3           HA       VAL   3  -2.213  -8.010   2.028
   20    HB   VAL   3           HB       VAL   3  -1.578  -5.571   0.328
   21   1HG1  VAL   3          1HG1      VAL   3  -1.803  -5.934   3.349
   22   2HG1  VAL   3          2HG1      VAL   3  -1.236  -4.466   2.544
   23   3HG1  VAL   3          3HG1      VAL   3  -2.908  -4.998   2.321
   24   1HG2  VAL   3          1HG2      VAL   3   0.598  -5.529   1.493
   25   2HG2  VAL   3          2HG2      VAL   3   0.254  -7.120   2.201
   26   3HG2  VAL   3          3HG2      VAL   3   0.439  -6.936   0.443
   27    H    LEU   4           H        LEU   4  -4.246  -7.460   2.715
   28    HA   LEU   4           HA       LEU   4  -6.310  -6.885   0.635
   29   1HB   LEU   4          1HB       LEU   4  -6.624  -7.782   3.507
   30   2HB   LEU   4          2HB       LEU   4  -7.902  -7.594   2.318
   31    HG   LEU   4           HG       LEU   4  -5.631  -9.633   2.239
   32   1HD1  LEU   4          1HD1      LEU   4  -7.453 -11.256   2.536
   33   2HD1  LEU   4          2HD1      LEU   4  -7.439 -10.086   3.869
   34   3HD1  LEU   4          3HD1      LEU   4  -8.646  -9.941   2.572
   35   1HD2  LEU   4          1HD2      LEU   4  -6.121  -9.029  -0.074
   36   2HD2  LEU   4          2HD2      LEU   4  -6.877 -10.585   0.270
   37   3HD2  LEU   4          3HD2      LEU   4  -7.873  -9.114   0.232
   38    H    LEU   5           H        LEU   5  -7.056  -4.906   0.458
   39    HA   LEU   5           HA       LEU   5  -6.356  -2.770   2.362
   40   1HB   LEU   5          1HB       LEU   5  -7.873  -2.813  -0.268
   41   2HB   LEU   5          2HB       LEU   5  -7.520  -1.352   0.648
   42    HG   LEU   5           HG       LEU   5  -5.345  -3.187  -0.432
   43   1HD1  LEU   5          1HD1      LEU   5  -6.662  -0.756  -1.723
   44   2HD1  LEU   5          2HD1      LEU   5  -5.172  -1.503  -2.304
   45   3HD1  LEU   5          3HD1      LEU   5  -6.683  -2.423  -2.334
   46   1HD2  LEU   5          1HD2      LEU   5  -5.377  -0.246   0.426
   47   2HD2  LEU   5          2HD2      LEU   5  -4.732  -1.594   1.382
   48   3HD2  LEU   5          3HD2      LEU   5  -3.968  -1.153  -0.154
   49    H    GLY   6           H        GLY   6  -7.589  -3.001   4.204
   50   1HA   GLY   6          1HA       GLY   6  -9.529  -2.451   5.349
   51   2HA   GLY   6          2HA       GLY   6 -10.538  -2.841   3.950
   52    H    SER   7           H        SER   7 -11.002  -3.909   6.570
   53    HA   SER   7           HA       SER   7 -10.191  -6.761   6.350
   54   1HB   SER   7          1HB       SER   7 -10.813  -6.771   8.769
   55   2HB   SER   7          2HB       SER   7  -9.491  -5.657   8.405
   56    HG   SER   7           HG       SER   7 -10.969  -3.943   8.423
   57    H    GLY   8           H        GLY   8 -11.825  -8.246   6.861
   58   1HA   GLY   8          1HA       GLY   8 -14.246  -8.076   5.398
   59   2HA   GLY   8          2HA       GLY   8 -13.909  -9.263   6.666
   60    H    ASP   9           H        ASP   9 -13.545  -7.329   8.787
   61    HA   ASP   9           HA       ASP   9 -16.313  -6.926   9.560
   62   1HB   ASP   9          1HB       ASP   9 -15.374  -6.137  11.659
   63   2HB   ASP   9          2HB       ASP   9 -14.592  -7.643  11.168
   64    H    GLY  10           H        GLY  10 -14.342  -5.064   7.529
   65   1HA   GLY  10          1HA       GLY  10 -15.094  -3.104   6.548
   66   2HA   GLY  10          2HA       GLY  10 -16.059  -2.690   7.962
   67    H    SER  11           H        SER  11 -13.362  -3.441   9.594
   68    HA   SER  11           HA       SER  11 -12.629  -0.758   9.954
   69   1HB   SER  11          1HB       SER  11 -12.205  -2.407  11.650
   70   2HB   SER  11          2HB       SER  11 -10.971  -3.210  10.653
   71    HG   SER  11           HG       SER  11 -10.105  -1.683  12.162
   72    H    LEU  12           H        LEU  12 -11.252   0.554   9.091
   73    HA   LEU  12           HA       LEU  12 -10.198   0.097   6.431
   74   1HB   LEU  12          1HB       LEU  12 -10.057   2.470   8.351
   75   2HB   LEU  12          2HB       LEU  12  -9.675   2.533   6.632
   76    HG   LEU  12           HG       LEU  12 -12.448   1.822   7.718
   77   1HD1  LEU  12          1HD1      LEU  12 -13.030   4.157   7.084
   78   2HD1  LEU  12          2HD1      LEU  12 -11.882   4.065   8.431
   79   3HD1  LEU  12          3HD1      LEU  12 -11.303   4.484   6.811
   80   1HD2  LEU  12          1HD2      LEU  12 -12.031   1.012   5.432
   81   2HD2  LEU  12          2HD2      LEU  12 -13.150   2.381   5.406
   82   3HD2  LEU  12          3HD2      LEU  12 -11.450   2.620   4.949
   83    H    VAL  13           H        VAL  13  -8.795  -1.670   7.364
   84    HA   VAL  13           HA       VAL  13  -6.100  -0.505   8.006
   85    HB   VAL  13           HB       VAL  13  -5.655  -2.534   9.352
   86   1HG1  VAL  13          1HG1      VAL  13  -6.278  -0.395  10.417
   87   2HG1  VAL  13          2HG1      VAL  13  -7.991  -0.857  10.366
   88   3HG1  VAL  13          3HG1      VAL  13  -6.849  -1.788  11.354
   89   1HG2  VAL  13          1HG2      VAL  13  -7.457  -3.929  10.189
   90   2HG2  VAL  13          2HG2      VAL  13  -8.663  -3.039   9.249
   91   3HG2  VAL  13          3HG2      VAL  13  -7.436  -4.023   8.422
   92    H    PHE  14           H        PHE  14  -4.310  -1.613   7.214
   93    HA   PHE  14           HA       PHE  14  -4.770  -3.136   4.711
   94   1HB   PHE  14          1HB       PHE  14  -2.316  -2.006   6.128
   95   2HB   PHE  14          2HB       PHE  14  -2.205  -3.104   4.771
   96    HD1  PHE  14           HD2      PHE  14  -3.314   0.301   5.804
   97    HD2  PHE  14           HD1      PHE  14  -2.371  -2.331   2.517
   98    HE1  PHE  14           HE2      PHE  14  -3.057   2.244   4.284
   99    HE2  PHE  14           HE1      PHE  14  -1.977  -0.393   1.083
  100    HZ   PHE  14           HZ       PHE  14  -2.484   1.906   1.894
  101    H    VAL  15           H        VAL  15  -4.649  -5.402   4.763
  102    HA   VAL  15           HA       VAL  15  -3.619  -6.659   7.287
  103    HB   VAL  15           HB       VAL  15  -5.835  -7.681   5.518
  104   1HG1  VAL  15          1HG1      VAL  15  -4.569  -9.457   6.686
  105   2HG1  VAL  15          2HG1      VAL  15  -4.785  -8.600   8.228
  106   3HG1  VAL  15          3HG1      VAL  15  -6.188  -9.268   7.367
  107   1HG2  VAL  15          1HG2      VAL  15  -6.642  -5.692   6.668
  108   2HG2  VAL  15          2HG2      VAL  15  -7.303  -7.128   7.450
  109   3HG2  VAL  15          3HG2      VAL  15  -5.948  -6.260   8.205
  110    HA   PRO  16           HA       PRO  16  -1.804  -7.632   7.890
  111   1HB   PRO  16          1HB       PRO  16   0.882  -7.748   7.663
  112   2HB   PRO  16          2HB       PRO  16  -0.146  -9.209   7.572
  113   1HG   PRO  16          1HG       PRO  16   0.952  -7.591   5.250
  114   2HG   PRO  16          2HG       PRO  16   1.080  -9.355   5.519
  115   1HD   PRO  16          1HD       PRO  16  -0.874  -8.267   3.948
  116   2HD   PRO  16          2HD       PRO  16  -1.229  -9.668   4.989
  117    H    SER  17           H        SER  17  -0.829  -5.804   8.983
  118    HA   SER  17           HA       SER  17  -0.968  -3.333   7.469
  119   1HB   SER  17          1HB       SER  17  -0.163  -3.641  10.375
  120   2HB   SER  17          2HB       SER  17  -0.953  -2.272   9.564
  121    HG   SER  17           HG       SER  17  -2.650  -3.993   9.076
  122    H    GLU  18           H        GLU  18   1.580  -5.213   9.138
  123    HA   GLU  18           HA       GLU  18   3.646  -3.727   7.629
  124   1HB   GLU  18          1HB       GLU  18   5.121  -3.853   9.559
  125   2HB   GLU  18          2HB       GLU  18   3.695  -2.852   9.872
  126   1HG   GLU  18          1HG       GLU  18   2.652  -4.733  11.135
  127   2HG   GLU  18          2HG       GLU  18   4.071  -5.737  10.779
  128    H    PHE  19           H        PHE  19   5.338  -5.084   6.883
  129    HA   PHE  19           HA       PHE  19   5.502  -7.856   7.577
  130   1HB   PHE  19          1HB       PHE  19   4.704  -8.840   5.497
  131   2HB   PHE  19          2HB       PHE  19   3.407  -8.013   6.306
  132    HD1  PHE  19           HD2      PHE  19   2.806  -5.570   5.499
  133    HD2  PHE  19           HD1      PHE  19   4.929  -8.525   3.171
  134    HE1  PHE  19           HE2      PHE  19   2.282  -4.330   3.448
  135    HE2  PHE  19           HE1      PHE  19   4.356  -7.275   1.103
  136    HZ   PHE  19           HZ       PHE  19   3.088  -5.149   1.242
  137    H    SER  20           H        SER  20   6.839  -8.996   5.618
  138    HA   SER  20           HA       SER  20   8.910  -7.139   4.624
  139   1HB   SER  20          1HB       SER  20  10.587  -8.798   5.454
  140   2HB   SER  20          2HB       SER  20   9.744  -7.959   6.772
  141    HG   SER  20           HG       SER  20   8.838 -10.445   5.745
  142    H    VAL  21           H        VAL  21   9.602  -7.757   2.558
  143    HA   VAL  21           HA       VAL  21   8.780 -10.436   1.579
  144    HB   VAL  21           HB       VAL  21   8.238  -9.462  -0.585
  145   1HG1  VAL  21          1HG1      VAL  21   6.108  -8.501   0.001
  146   2HG1  VAL  21          2HG1      VAL  21   6.480  -9.789   1.162
  147   3HG1  VAL  21          3HG1      VAL  21   6.690  -8.082   1.625
  148   1HG2  VAL  21          1HG2      VAL  21   7.891  -7.034  -0.856
  149   2HG2  VAL  21          2HG2      VAL  21   8.635  -6.734   0.724
  150   3HG2  VAL  21          3HG2      VAL  21   9.596  -7.411  -0.609
  151    HA   PRO  22           HA       PRO  22  13.057 -10.704   0.279
  152   1HB   PRO  22          1HB       PRO  22  11.963 -12.035  -2.198
  153   2HB   PRO  22          2HB       PRO  22  13.266 -12.601  -1.116
  154   1HG   PRO  22          1HG       PRO  22  10.786 -13.718  -1.007
  155   2HG   PRO  22          2HG       PRO  22  11.675 -13.347   0.500
  156   1HD   PRO  22          1HD       PRO  22   9.471 -11.715  -0.797
  157   2HD   PRO  22          2HD       PRO  22   9.716 -12.196   0.905
  158    H    SER  23           H        SER  23  14.413  -9.485  -1.075
  159    HA   SER  23           HA       SER  23  13.505  -7.213  -2.409
  160   1HB   SER  23          1HB       SER  23  16.005  -8.782  -3.153
  161   2HB   SER  23          2HB       SER  23  15.703  -7.052  -3.407
  162    HG   SER  23           HG       SER  23  15.887  -8.404  -0.910
  163    H    GLY  24           H        GLY  24  12.272  -6.960  -4.208
  164   1HA   GLY  24          1HA       GLY  24  11.937  -7.111  -6.506
  165   2HA   GLY  24          2HA       GLY  24  12.798  -8.646  -6.599
  166    H    GLU  25           H        GLU  25  10.742  -9.131  -3.964
  167    HA   GLU  25           HA       GLU  25   8.953 -10.606  -5.670
  168   1HB   GLU  25          1HB       GLU  25   9.272 -10.266  -2.734
  169   2HB   GLU  25          2HB       GLU  25   7.624 -10.575  -3.255
  170   1HG   GLU  25          1HG       GLU  25  10.003 -12.294  -4.083
  171   2HG   GLU  25          2HG       GLU  25   8.899 -12.676  -2.756
  172    H    LYS  26           H        LYS  26   6.695 -10.399  -5.876
  173    HA   LYS  26           HA       LYS  26   5.918  -7.658  -6.493
  174   1HB   LYS  26          1HB       LYS  26   4.518 -10.342  -6.850
  175   2HB   LYS  26          2HB       LYS  26   3.968  -8.788  -7.488
  176   1HG   LYS  26          1HG       LYS  26   6.075  -8.591  -8.815
  177   2HG   LYS  26          2HG       LYS  26   6.587 -10.177  -8.210
  178   1HD   LYS  26          1HD       LYS  26   4.551 -11.214  -9.219
  179   2HD   LYS  26          2HD       LYS  26   4.049  -9.623  -9.816
  180   1HE   LYS  26          1HE       LYS  26   5.101 -10.853 -11.627
  181   2HE   LYS  26          2HE       LYS  26   6.136  -9.486 -11.182
  182   1HZ   LYS  26          1HZ       LYS  26   6.504 -12.275 -10.314
  183   2HZ   LYS  26          2HZ       LYS  26   7.364 -11.512 -11.493
  184   3HZ   LYS  26          3HZ       LYS  26   7.493 -11.011  -9.932
  185    H    ILE  27           H        ILE  27   4.271  -6.508  -5.527
  186    HA   ILE  27           HA       ILE  27   2.983  -7.665  -3.103
  187    HB   ILE  27           HB       ILE  27   3.672  -4.773  -3.567
  188   1HG1  ILE  27          1HG1      ILE  27   5.141  -6.710  -1.719
  189   2HG1  ILE  27          2HG1      ILE  27   5.773  -6.181  -3.284
  190   1HG2  ILE  27          1HG2      ILE  27   3.046  -4.524  -1.193
  191   2HG2  ILE  27          2HG2      ILE  27   1.725  -5.269  -2.078
  192   3HG2  ILE  27          3HG2      ILE  27   2.777  -6.276  -1.069
  193   1HD1  ILE  27          1HD1      ILE  27   5.210  -4.331  -0.951
  194   2HD1  ILE  27          2HD1      ILE  27   6.787  -4.859  -1.556
  195   3HD1  ILE  27          3HD1      ILE  27   5.748  -3.834  -2.564
  196    H    VAL  28           H        VAL  28   0.846  -7.637  -3.192
  197    HA   VAL  28           HA       VAL  28  -0.577  -6.119  -5.345
  198    HB   VAL  28           HB       VAL  28  -1.150  -8.902  -4.234
  199   1HG1  VAL  28          1HG1      VAL  28  -2.936  -8.960  -5.968
  200   2HG1  VAL  28          2HG1      VAL  28  -3.250  -7.732  -4.738
  201   3HG1  VAL  28          3HG1      VAL  28  -2.622  -7.249  -6.327
  202   1HG2  VAL  28          1HG2      VAL  28  -0.246  -8.040  -7.009
  203   2HG2  VAL  28          2HG2      VAL  28   0.742  -8.920  -5.824
  204   3HG2  VAL  28          3HG2      VAL  28  -0.691  -9.685  -6.520
  205    H    PHE  29           H        PHE  29  -2.141  -4.822  -4.550
  206    HA   PHE  29           HA       PHE  29  -3.008  -5.082  -1.684
  207   1HB   PHE  29          1HB       PHE  29  -2.636  -2.628  -3.411
  208   2HB   PHE  29          2HB       PHE  29  -3.369  -2.660  -1.816
  209    HD1  PHE  29           HD1      PHE  29  -2.070  -3.119   0.206
  210    HD2  PHE  29           HD2      PHE  29  -0.212  -2.718  -3.657
  211    HE1  PHE  29           HE1      PHE  29   0.098  -2.564   1.310
  212    HE2  PHE  29           HE2      PHE  29   1.950  -2.165  -2.546
  213    HZ   PHE  29           HZ       PHE  29   2.099  -2.079  -0.073
  214    H    LYS  30           H        LYS  30  -4.929  -6.170  -1.904
  215    HA   LYS  30           HA       LYS  30  -6.716  -5.539  -4.194
  216   1HB   LYS  30          1HB       LYS  30  -5.967  -7.858  -3.782
  217   2HB   LYS  30          2HB       LYS  30  -6.770  -7.813  -2.210
  218   1HG   LYS  30          1HG       LYS  30  -8.964  -7.598  -3.248
  219   2HG   LYS  30          2HG       LYS  30  -8.226  -7.247  -4.815
  220   1HD   LYS  30          1HD       LYS  30  -9.084  -9.509  -4.810
  221   2HD   LYS  30          2HD       LYS  30  -7.323  -9.530  -4.962
  222   1HE   LYS  30          1HE       LYS  30  -7.098 -10.102  -2.561
  223   2HE   LYS  30          2HE       LYS  30  -8.858  -9.989  -2.357
  224   1HZ   LYS  30          1HZ       LYS  30  -9.078 -11.800  -3.899
  225   2HZ   LYS  30          2HZ       LYS  30  -7.444 -11.893  -4.087
  226   3HZ   LYS  30          3HZ       LYS  30  -8.125 -12.232  -2.627
  227    H    ASN  31           H        ASN  31  -8.614  -4.502  -3.977
  228    HA   ASN  31           HA       ASN  31  -9.485  -3.297  -1.512
  229   1HB   ASN  31          1HB       ASN  31 -10.596  -3.550  -4.305
  230   2HB   ASN  31          2HB       ASN  31 -11.671  -3.112  -2.975
  231   1HD2  ASN  31          1HD2      ASN  31 -10.888   0.197  -3.886
  232   2HD2  ASN  31          2HD2      ASN  31 -11.970  -1.175  -4.182
  233    H    ASN  32           H        ASN  32 -10.101  -4.482   0.193
  234    HA   ASN  32           HA       ASN  32 -11.612  -6.988  -0.188
  235   1HB   ASN  32          1HB       ASN  32  -9.780  -6.819   1.416
  236   2HB   ASN  32          2HB       ASN  32 -10.621  -5.559   2.308
  237   1HD2  ASN  32          1HD2      ASN  32 -12.895  -7.806   3.893
  238   2HD2  ASN  32          2HD2      ASN  32 -12.583  -6.120   3.536
  239    H    ALA  33           H        ALA  33 -11.996  -4.088   1.816
  240    HA   ALA  33           HA       ALA  33 -14.758  -3.583   1.084
  241   1HB   ALA  33          1HB       ALA  33 -15.709  -4.019   3.324
  242   2HB   ALA  33          2HB       ALA  33 -15.065  -5.524   2.652
  243   3HB   ALA  33          3HB       ALA  33 -14.152  -4.644   3.894
  244    H    GLY  34           H        GLY  34 -15.537  -1.716   2.684
  245   1HA   GLY  34          1HA       GLY  34 -15.144   0.351   3.598
  246   2HA   GLY  34          2HA       GLY  34 -13.588  -0.258   4.177
  247    H    PHE  35           H        PHE  35 -14.213  -0.425   0.748
  248    HA   PHE  35           HA       PHE  35 -12.066   1.402   0.046
  249   1HB   PHE  35          1HB       PHE  35 -12.635   0.674  -2.253
  250   2HB   PHE  35          2HB       PHE  35 -12.391  -0.599  -1.126
  251    HD1  PHE  35           HD1      PHE  35 -15.100   1.430  -2.725
  252    HD2  PHE  35           HD2      PHE  35 -13.907  -2.322  -0.957
  253    HE1  PHE  35           HE1      PHE  35 -17.355   0.484  -3.194
  254    HE2  PHE  35           HE2      PHE  35 -16.206  -3.220  -1.313
  255    HZ   PHE  35           HZ       PHE  35 -17.927  -1.814  -2.392
  256    HA   PRO  36           HA       PRO  36 -12.392   2.625  -2.464
  257   1HB   PRO  36          1HB       PRO  36 -11.536   5.073  -3.089
  258   2HB   PRO  36          2HB       PRO  36 -13.143   4.494  -3.542
  259   1HG   PRO  36          1HG       PRO  36 -12.491   6.142  -1.084
  260   2HG   PRO  36          2HG       PRO  36 -13.735   6.483  -2.329
  261   1HD   PRO  36          1HD       PRO  36 -14.385   5.160  -0.045
  262   2HD   PRO  36          2HD       PRO  36 -15.080   4.639  -1.605
  263    H    HIS  37           H        HIS  37 -10.126   2.663  -2.835
  264    HA   HIS  37           HA       HIS  37  -8.436   3.637  -0.645
  265   1HB   HIS  37          1HB       HIS  37  -8.431   0.737  -1.545
  266   2HB   HIS  37          2HB       HIS  37  -7.367   1.417  -0.325
  267    HD2  HIS  37           HD2      HIS  37 -10.084  -0.878  -0.503
  268    HE1  HIS  37           HE1      HIS  37 -10.494   0.816   3.354
  269    HE2  HIS  37           HE2      HIS  37 -11.024  -1.192   1.887
  270    H    ASN  38           H        ASN  38  -6.122   3.312  -1.036
  271    HA   ASN  38           HA       ASN  38  -5.123   2.643  -3.606
  272   1HB   ASN  38          1HB       ASN  38  -4.281   4.841  -4.244
  273   2HB   ASN  38          2HB       ASN  38  -6.026   4.884  -4.140
  274   1HD2  ASN  38          1HD2      ASN  38  -5.188   7.999  -2.572
  275   2HD2  ASN  38          2HD2      ASN  38  -5.478   7.293  -4.175
  276    H    VAL  39           H        VAL  39  -2.599   3.439  -3.386
  277    HA   VAL  39           HA       VAL  39  -1.767   3.151  -0.545
  278    HB   VAL  39           HB       VAL  39  -0.625   1.518  -2.846
  279   1HG1  VAL  39          1HG1      VAL  39   0.583   0.363  -1.035
  280   2HG1  VAL  39          2HG1      VAL  39   0.994   2.078  -1.044
  281   3HG1  VAL  39          3HG1      VAL  39  -0.143   1.447   0.167
  282   1HG2  VAL  39          1HG2      VAL  39  -1.632  -0.400  -1.480
  283   2HG2  VAL  39          2HG2      VAL  39  -2.619   0.814  -0.662
  284   3HG2  VAL  39          3HG2      VAL  39  -2.781   0.563  -2.413
  285    H    VAL  40           H        VAL  40  -0.728   4.991  -0.185
  286    HA   VAL  40           HA       VAL  40   1.099   6.106  -2.249
  287    HB   VAL  40           HB       VAL  40  -0.472   7.484  -0.039
  288   1HG1  VAL  40          1HG1      VAL  40   1.434   8.626  -2.138
  289   2HG1  VAL  40          2HG1      VAL  40   0.414   9.587  -1.050
  290   3HG1  VAL  40          3HG1      VAL  40   1.713   8.591  -0.386
  291   1HG2  VAL  40          1HG2      VAL  40  -1.617   8.628  -1.914
  292   2HG2  VAL  40          2HG2      VAL  40  -0.752   7.603  -3.075
  293   3HG2  VAL  40          3HG2      VAL  40  -1.920   6.887  -1.941
  294    H    PHE  41           H        PHE  41   3.196   6.173  -1.675
  295    HA   PHE  41           HA       PHE  41   3.965   5.043   0.929
  296   1HB   PHE  41          1HB       PHE  41   5.431   5.655  -1.628
  297   2HB   PHE  41          2HB       PHE  41   6.268   5.248  -0.147
  298    HD1  PHE  41           HD1      PHE  41   3.919   3.900  -2.678
  299    HD2  PHE  41           HD2      PHE  41   6.156   3.069   0.880
  300    HE1  PHE  41           HE1      PHE  41   3.461   1.471  -2.965
  301    HE2  PHE  41           HE2      PHE  41   5.936   0.621   0.452
  302    HZ   PHE  41           HZ       PHE  41   4.515  -0.174  -1.428
  303    H    ASP  42           H        ASP  42   4.918   6.124   2.554
  304    HA   ASP  42           HA       ASP  42   4.679   9.013   2.641
  305   1HB   ASP  42          1HB       ASP  42   4.270   7.635   4.622
  306   2HB   ASP  42          2HB       ASP  42   5.907   6.963   4.518
  307    H    GLU  43           H        GLU  43   6.063  10.099   1.318
  308    HA   GLU  43           HA       GLU  43   8.573   9.390   0.440
  309   1HB   GLU  43          1HB       GLU  43   8.947  11.904   0.172
  310   2HB   GLU  43          2HB       GLU  43   7.615  11.128  -0.680
  311   1HG   GLU  43          1HG       GLU  43   6.937  13.292   0.177
  312   2HG   GLU  43          2HG       GLU  43   5.968  12.026   0.915
  313    H    ASP  44           H        ASP  44   7.836  10.731   3.635
  314    HA   ASP  44           HA       ASP  44  10.612  11.332   4.248
  315   1HB   ASP  44          1HB       ASP  44   8.733  12.565   5.248
  316   2HB   ASP  44          2HB       ASP  44   8.152  11.080   6.023
  317    H    GLU  45           H        GLU  45   8.767   8.384   4.239
  318    HA   GLU  45           HA       GLU  45  10.884   7.006   5.820
  319   1HB   GLU  45          1HB       GLU  45   7.884   6.676   6.105
  320   2HB   GLU  45          2HB       GLU  45   9.095   5.644   6.878
  321   1HG   GLU  45          1HG       GLU  45   8.680   8.634   7.385
  322   2HG   GLU  45          2HG       GLU  45   8.181   7.314   8.438
  323    H    ILE  46           H        ILE  46  11.485   6.886   3.460
  324    HA   ILE  46           HA       ILE  46  11.043   4.157   2.610
  325    HB   ILE  46           HB       ILE  46  10.769   4.879   0.208
  326   1HG1  ILE  46          1HG1      ILE  46   9.943   7.573   1.330
  327   2HG1  ILE  46          2HG1      ILE  46  11.461   7.251   0.481
  328   1HG2  ILE  46          1HG2      ILE  46   8.882   4.008   1.622
  329   2HG2  ILE  46          2HG2      ILE  46   8.350   5.683   1.841
  330   3HG2  ILE  46          3HG2      ILE  46   8.428   4.964   0.221
  331   1HD1  ILE  46          1HD1      ILE  46   8.670   7.058  -0.695
  332   2HD1  ILE  46          2HD1      ILE  46   9.973   8.182  -1.121
  333   3HD1  ILE  46          3HD1      ILE  46  10.137   6.463  -1.511
  334    HA   PRO  47           HA       PRO  47  15.364   4.805   2.033
  335   1HB   PRO  47          1HB       PRO  47  15.996   3.300  -0.232
  336   2HB   PRO  47          2HB       PRO  47  15.791   2.702   1.435
  337   1HG   PRO  47          1HG       PRO  47  13.799   2.683  -0.829
  338   2HG   PRO  47          2HG       PRO  47  14.126   1.395   0.374
  339   1HD   PRO  47          1HD       PRO  47  11.994   3.084   0.578
  340   2HD   PRO  47          2HD       PRO  47  12.854   2.488   2.018
  341    H    ALA  48           H        ALA  48  15.967   6.742   1.521
  342    HA   ALA  48           HA       ALA  48  14.997   8.485  -0.398
  343   1HB   ALA  48          1HB       ALA  48  17.767   8.438   0.863
  344   2HB   ALA  48          2HB       ALA  48  17.019   9.823   0.039
  345   3HB   ALA  48          3HB       ALA  48  16.305   9.194   1.537
  346    H    GLY  49           H        GLY  49  14.920   8.114  -2.513
  347   1HA   GLY  49          1HA       GLY  49  16.670   8.345  -4.458
  348   2HA   GLY  49          2HA       GLY  49  17.096   6.694  -3.954
  349    H    VAL  50           H        VAL  50  14.424   5.877  -3.114
  350    HA   VAL  50           HA       VAL  50  13.427   5.160  -5.763
  351    HB   VAL  50           HB       VAL  50  12.272   4.542  -3.016
  352   1HG1  VAL  50          1HG1      VAL  50  11.159   2.683  -4.289
  353   2HG1  VAL  50          2HG1      VAL  50  10.612   4.280  -4.821
  354   3HG1  VAL  50          3HG1      VAL  50  11.780   3.366  -5.798
  355   1HG2  VAL  50          1HG2      VAL  50  14.151   2.957  -4.826
  356   2HG2  VAL  50          2HG2      VAL  50  14.551   3.625  -3.228
  357   3HG2  VAL  50          3HG2      VAL  50  13.356   2.333  -3.368
  358    H    ASP  51           H        ASP  51  12.229   6.571  -6.918
  359    HA   ASP  51           HA       ASP  51  11.006   8.897  -5.884
  360   1HB   ASP  51          1HB       ASP  51  11.624   8.713  -8.224
  361   2HB   ASP  51          2HB       ASP  51  10.496   7.364  -8.454
  362    H    ALA  52           H        ALA  52   9.404   8.907  -4.466
  363    HA   ALA  52           HA       ALA  52   7.651   6.944  -3.686
  364   1HB   ALA  52          1HB       ALA  52   7.979   9.044  -2.470
  365   2HB   ALA  52          2HB       ALA  52   7.092   9.928  -3.734
  366   3HB   ALA  52          3HB       ALA  52   6.260   8.708  -2.744
  367    H    VAL  53           H        VAL  53   7.212   9.300  -6.348
  368    HA   VAL  53           HA       VAL  53   4.501   8.714  -6.914
  369    HB   VAL  53           HB       VAL  53   6.670   9.718  -8.799
  370   1HG1  VAL  53          1HG1      VAL  53   4.720   9.022 -10.093
  371   2HG1  VAL  53          2HG1      VAL  53   3.632   9.868  -8.970
  372   3HG1  VAL  53          3HG1      VAL  53   4.752  10.782 -10.000
  373   1HG2  VAL  53          1HG2      VAL  53   4.699  11.217  -7.011
  374   2HG2  VAL  53          2HG2      VAL  53   6.462  11.174  -6.799
  375   3HG2  VAL  53          3HG2      VAL  53   5.769  11.965  -8.214
  376    H    LYS  54           H        LYS  54   7.438   6.880  -7.770
  377    HA   LYS  54           HA       LYS  54   6.027   5.376  -9.869
  378   1HB   LYS  54          1HB       LYS  54   8.734   4.959  -8.544
  379   2HB   LYS  54          2HB       LYS  54   8.061   3.956  -9.839
  380   1HG   LYS  54          1HG       LYS  54   7.850   5.969 -11.293
  381   2HG   LYS  54          2HG       LYS  54   8.612   6.943 -10.028
  382   1HD   LYS  54          1HD       LYS  54  10.654   5.488 -10.172
  383   2HD   LYS  54          2HD       LYS  54   9.853   4.519 -11.418
  384   1HE   LYS  54          1HE       LYS  54  11.353   6.057 -12.517
  385   2HE   LYS  54          2HE       LYS  54   9.694   6.563 -12.872
  386   1HZ   LYS  54          1HZ       LYS  54  11.075   8.405 -12.293
  387   2HZ   LYS  54          2HZ       LYS  54   9.931   8.221 -11.122
  388   3HZ   LYS  54          3HZ       LYS  54  11.477   7.732 -10.845
  389    H    ILE  55           H        ILE  55   6.939   4.870  -6.475
  390    HA   ILE  55           HA       ILE  55   5.881   2.143  -6.401
  391    HB   ILE  55           HB       ILE  55   6.234   2.254  -4.027
  392   1HG1  ILE  55          1HG1      ILE  55   7.587   4.930  -4.646
  393   2HG1  ILE  55          2HG1      ILE  55   6.092   4.720  -3.699
  394   1HG2  ILE  55          1HG2      ILE  55   8.605   1.968  -4.240
  395   2HG2  ILE  55          2HG2      ILE  55   7.842   1.353  -5.702
  396   3HG2  ILE  55          3HG2      ILE  55   8.648   2.940  -5.732
  397   1HD1  ILE  55          1HD1      ILE  55   7.457   3.082  -2.292
  398   2HD1  ILE  55          2HD1      ILE  55   8.893   3.789  -3.067
  399   3HD1  ILE  55          3HD1      ILE  55   7.830   4.826  -2.097
  400    H    SER  56           H        SER  56   4.651   5.364  -5.627
  401    HA   SER  56           HA       SER  56   2.309   4.394  -4.202
  402   1HB   SER  56          1HB       SER  56   3.034   7.127  -5.286
  403   2HB   SER  56          2HB       SER  56   1.711   6.795  -4.183
  404    HG   SER  56           HG       SER  56   4.503   6.556  -3.788
  405    H    MET  57           H        MET  57   0.257   4.157  -4.904
  406    HA   MET  57           HA       MET  57  -0.426   4.299  -7.720
  407   1HB   MET  57          1HB       MET  57  -1.579   2.796  -6.086
  408   2HB   MET  57          2HB       MET  57  -2.120   4.210  -5.176
  409   1HG   MET  57          1HG       MET  57  -3.928   3.358  -6.532
  410   2HG   MET  57          2HG       MET  57  -3.466   4.956  -7.120
  411   1HE   MET  57          1HE       MET  57  -5.364   2.935  -8.651
  412   2HE   MET  57          2HE       MET  57  -4.900   4.534  -9.282
  413   3HE   MET  57          3HE       MET  57  -4.741   3.097 -10.314
  414    HA   PRO  58           HA       PRO  58  -0.393   8.830  -7.527
  415   1HB   PRO  58          1HB       PRO  58  -2.698   8.494  -9.472
  416   2HB   PRO  58          2HB       PRO  58  -1.389   9.715  -9.511
  417   1HG   PRO  58          1HG       PRO  58  -1.171   7.501 -11.050
  418   2HG   PRO  58          2HG       PRO  58   0.238   8.021 -10.076
  419   1HD   PRO  58          1HD       PRO  58  -1.742   5.822  -9.471
  420   2HD   PRO  58          2HD       PRO  58   0.039   5.835  -9.281
  421    H    GLU  59           H        GLU  59  -1.198   9.886  -5.799
  422    HA   GLU  59           HA       GLU  59  -3.262   9.086  -4.174
  423   1HB   GLU  59          1HB       GLU  59  -3.221  11.479  -3.298
  424   2HB   GLU  59          2HB       GLU  59  -1.724  10.556  -3.217
  425   1HG   GLU  59          1HG       GLU  59  -2.145  12.350  -5.619
  426   2HG   GLU  59          2HG       GLU  59  -1.776  13.070  -4.055
  427    H    GLU  60           H        GLU  60  -3.565  11.188  -6.966
  428    HA   GLU  60           HA       GLU  60  -6.165  12.189  -6.492
  429   1HB   GLU  60          1HB       GLU  60  -4.551  13.098  -8.138
  430   2HB   GLU  60          2HB       GLU  60  -4.631  11.595  -9.069
  431   1HG   GLU  60          1HG       GLU  60  -5.935  13.364 -10.120
  432   2HG   GLU  60          2HG       GLU  60  -6.963  12.011  -9.642
  433    H    GLU  61           H        GLU  61  -5.002   9.115  -7.804
  434    HA   GLU  61           HA       GLU  61  -7.675   8.254  -8.641
  435   1HB   GLU  61          1HB       GLU  61  -4.936   6.928  -8.768
  436   2HB   GLU  61          2HB       GLU  61  -6.434   6.323  -9.486
  437   1HG   GLU  61          1HG       GLU  61  -6.586   8.371 -10.901
  438   2HG   GLU  61          2HG       GLU  61  -5.035   8.923 -10.253
  439    H    LEU  62           H        LEU  62  -8.583   6.297  -7.887
  440    HA   LEU  62           HA       LEU  62  -7.541   4.945  -5.589
  441   1HB   LEU  62          1HB       LEU  62  -9.193   5.437  -4.015
  442   2HB   LEU  62          2HB       LEU  62  -8.306   6.886  -4.458
  443    HG   LEU  62           HG       LEU  62 -11.174   6.159  -5.182
  444   1HD1  LEU  62          1HD1      LEU  62  -9.849   8.473  -3.712
  445   2HD1  LEU  62          2HD1      LEU  62 -11.601   8.137  -3.780
  446   3HD1  LEU  62          3HD1      LEU  62 -10.495   7.037  -2.917
  447   1HD2  LEU  62          1HD2      LEU  62 -10.398   7.311  -7.180
  448   2HD2  LEU  62          2HD2      LEU  62 -11.306   8.457  -6.202
  449   3HD2  LEU  62          3HD2      LEU  62  -9.536   8.529  -6.202
  450    H    LEU  63           H        LEU  63  -8.398   2.965  -5.350
  451    HA   LEU  63           HA       LEU  63 -10.073   1.845  -7.460
  452   1HB   LEU  63          1HB       LEU  63  -9.024   0.667  -4.857
  453   2HB   LEU  63          2HB       LEU  63  -9.696  -0.226  -6.229
  454    HG   LEU  63           HG       LEU  63  -7.074   1.346  -6.149
  455   1HD1  LEU  63          1HD1      LEU  63  -7.062  -0.723  -4.832
  456   2HD1  LEU  63          2HD1      LEU  63  -7.725  -1.626  -6.209
  457   3HD1  LEU  63          3HD1      LEU  63  -6.095  -0.937  -6.302
  458   1HD2  LEU  63          1HD2      LEU  63  -7.970   1.395  -8.448
  459   2HD2  LEU  63          2HD2      LEU  63  -6.602   0.272  -8.336
  460   3HD2  LEU  63          3HD2      LEU  63  -8.251  -0.361  -8.388
  461    H    ASN  64           H        ASN  64 -12.293   2.247  -7.283
  462    HA   ASN  64           HA       ASN  64 -13.522   2.414  -4.564
  463   1HB   ASN  64          1HB       ASN  64 -13.449   4.555  -5.907
  464   2HB   ASN  64          2HB       ASN  64 -14.459   3.758  -7.120
  465   1HD2  ASN  64          1HD2      ASN  64 -17.142   5.245  -5.278
  466   2HD2  ASN  64          2HD2      ASN  64 -16.169   5.347  -6.733
  467    H    ALA  65           H        ALA  65 -13.199  -0.096  -5.580
  468    HA   ALA  65           HA       ALA  65 -15.946  -1.012  -5.634
  469   1HB   ALA  65          1HB       ALA  65 -15.587  -2.340  -7.789
  470   2HB   ALA  65          2HB       ALA  65 -15.710  -0.590  -8.027
  471   3HB   ALA  65          3HB       ALA  65 -14.128  -1.380  -8.062
  472    HA   PRO  66           HA       PRO  66 -13.666  -4.205  -3.523
  473   1HB   PRO  66          1HB       PRO  66 -15.216  -6.431  -3.748
  474   2HB   PRO  66          2HB       PRO  66 -15.737  -5.007  -2.810
  475   1HG   PRO  66          1HG       PRO  66 -16.470  -5.704  -5.669
  476   2HG   PRO  66          2HG       PRO  66 -17.578  -5.249  -4.341
  477   1HD   PRO  66          1HD       PRO  66 -16.699  -3.448  -6.186
  478   2HD   PRO  66          2HD       PRO  66 -16.925  -2.969  -4.486
  479    H    GLY  67           H        GLY  67 -12.398  -6.217  -3.928
  480   1HA   GLY  67          1HA       GLY  67 -11.372  -7.816  -5.222
  481   2HA   GLY  67          2HA       GLY  67 -12.465  -7.463  -6.560
  482    H    GLU  68           H        GLU  68 -11.741  -4.612  -6.768
  483    HA   GLU  68           HA       GLU  68  -9.744  -4.640  -8.671
  484   1HB   GLU  68          1HB       GLU  68 -10.337  -2.413  -6.674
  485   2HB   GLU  68          2HB       GLU  68  -9.500  -2.218  -8.224
  486   1HG   GLU  68          1HG       GLU  68 -12.415  -3.040  -7.839
  487   2HG   GLU  68          2HG       GLU  68 -11.809  -1.481  -8.409
  488    H    THR  69           H        THR  69  -7.508  -4.641  -8.746
  489    HA   THR  69           HA       THR  69  -6.031  -4.768  -6.157
  490    HB   THR  69           HB       THR  69  -4.443  -6.167  -7.586
  491    HG1  THR  69           HG1      THR  69  -5.404  -5.381  -9.566
  492   1HG2  THR  69          1HG2      THR  69  -6.007  -7.211  -6.001
  493   2HG2  THR  69          2HG2      THR  69  -7.239  -7.308  -7.284
  494   3HG2  THR  69          3HG2      THR  69  -5.727  -8.220  -7.437
  495    OH   TYR  70           OH       TYR  70   1.825   1.739  -7.263
  496    H    TYR  70           H        TYR  70  -4.402  -3.371  -5.853
  497    HA   TYR  70           HA       TYR  70  -3.215  -1.929  -8.203
  498   1HB   TYR  70          1HB       TYR  70  -3.874  -0.409  -6.389
  499   2HB   TYR  70          2HB       TYR  70  -3.048  -1.407  -5.205
  500    HD1  TYR  70           HD1      TYR  70  -2.237   0.191  -8.534
  501    HD2  TYR  70           HD2      TYR  70  -0.990  -0.494  -4.461
  502    HE1  TYR  70           HE1      TYR  70  -0.086   1.326  -8.995
  503    HE2  TYR  70           HE2      TYR  70   1.140   0.685  -4.921
  504    HH   TYR  70           HH       TYR  70   2.418   1.814  -6.506
  505    H    VAL  71           H        VAL  71  -0.967  -2.391  -8.658
  506    HA   VAL  71           HA       VAL  71   0.272  -4.508  -6.960
  507    HB   VAL  71           HB       VAL  71   0.307  -4.427 -10.000
  508   1HG1  VAL  71          1HG1      VAL  71   2.288  -5.521  -9.046
  509   2HG1  VAL  71          2HG1      VAL  71   1.266  -6.479  -7.955
  510   3HG1  VAL  71          3HG1      VAL  71   1.209  -6.750  -9.709
  511   1HG2  VAL  71          1HG2      VAL  71  -1.134  -6.479  -9.842
  512   2HG2  VAL  71          2HG2      VAL  71  -1.347  -6.155  -8.110
  513   3HG2  VAL  71          3HG2      VAL  71  -1.969  -5.016  -9.322
  514    H    VAL  72           H        VAL  72   2.479  -4.405  -6.720
  515    HA   VAL  72           HA       VAL  72   4.109  -2.470  -8.185
  516    HB   VAL  72           HB       VAL  72   2.997  -1.102  -6.425
  517   1HG1  VAL  72          1HG1      VAL  72   4.524  -2.820  -4.438
  518   2HG1  VAL  72          2HG1      VAL  72   3.562  -1.376  -4.079
  519   3HG1  VAL  72          3HG1      VAL  72   2.758  -2.843  -4.678
  520   1HG2  VAL  72          1HG2      VAL  72   4.919   0.041  -5.624
  521   2HG2  VAL  72          2HG2      VAL  72   5.970  -1.354  -5.853
  522   3HG2  VAL  72          3HG2      VAL  72   5.275  -0.519  -7.266
  523    H    THR  73           H        THR  73   6.417  -2.700  -7.356
  524    HA   THR  73           HA       THR  73   7.043  -5.295  -6.106
  525    HB   THR  73           HB       THR  73   7.912  -4.548  -8.943
  526    HG1  THR  73           HG1      THR  73   5.779  -5.919  -7.951
  527   1HG2  THR  73          1HG2      THR  73   9.658  -5.833  -7.726
  528   2HG2  THR  73          2HG2      THR  73   8.438  -7.059  -7.308
  529   3HG2  THR  73          3HG2      THR  73   8.902  -6.807  -8.998
  530    H    LEU  74           H        LEU  74   8.909  -5.045  -4.895
  531    HA   LEU  74           HA       LEU  74  10.423  -2.471  -5.225
  532   1HB   LEU  74          1HB       LEU  74   9.796  -3.941  -2.665
  533   2HB   LEU  74          2HB       LEU  74  10.699  -2.426  -2.863
  534    HG   LEU  74           HG       LEU  74   7.739  -2.799  -3.500
  535   1HD1  LEU  74          1HD1      LEU  74   7.370  -1.456  -1.473
  536   2HD1  LEU  74          2HD1      LEU  74   8.262  -2.936  -1.075
  537   3HD1  LEU  74          3HD1      LEU  74   9.121  -1.387  -1.180
  538   1HD2  LEU  74          1HD2      LEU  74   8.708  -1.001  -4.880
  539   2HD2  LEU  74          2HD2      LEU  74   7.728  -0.306  -3.585
  540   3HD2  LEU  74          3HD2      LEU  74   9.500  -0.305  -3.452
  541    H    ASP  75           H        ASP  75  12.336  -2.941  -6.052
  542    HA   ASP  75           HA       ASP  75  13.763  -5.465  -5.399
  543   1HB   ASP  75          1HB       ASP  75  14.270  -3.244  -7.423
  544   2HB   ASP  75          2HB       ASP  75  15.341  -4.623  -7.148
  545    H    THR  76           H        THR  76  14.075  -1.913  -5.046
  546    HA   THR  76           HA       THR  76  16.692  -1.972  -3.950
  547    HB   THR  76           HB       THR  76  14.544   0.159  -3.590
  548    HG1  THR  76           HG1      THR  76  15.295   0.916  -5.610
  549   1HG2  THR  76          1HG2      THR  76  17.581   0.329  -3.861
  550   2HG2  THR  76          2HG2      THR  76  16.472   1.706  -3.686
  551   3HG2  THR  76          3HG2      THR  76  16.661   0.553  -2.354
  552    H    LYS  77           H        LYS  77  17.281  -2.584  -1.982
  553    HA   LYS  77           HA       LYS  77  15.567  -3.570   0.030
  554   1HB   LYS  77          1HB       LYS  77  18.270  -2.486   0.786
  555   2HB   LYS  77          2HB       LYS  77  17.471  -3.971   1.303
  556   1HG   LYS  77          1HG       LYS  77  18.866  -3.404  -1.331
  557   2HG   LYS  77          2HG       LYS  77  19.440  -4.438  -0.042
  558   1HD   LYS  77          1HD       LYS  77  17.753  -6.081  -0.393
  559   2HD   LYS  77          2HD       LYS  77  16.829  -5.066  -1.502
  560   1HE   LYS  77          1HE       LYS  77  19.666  -6.022  -2.083
  561   2HE   LYS  77          2HE       LYS  77  18.199  -6.842  -2.632
  562   1HZ   LYS  77          1HZ       LYS  77  17.553  -4.840  -3.765
  563   2HZ   LYS  77          2HZ       LYS  77  18.961  -4.096  -3.327
  564   3HZ   LYS  77          3HZ       LYS  77  19.000  -5.412  -4.313
  565    H    GLY  78           H        GLY  78  15.324  -2.814   2.224
  566   1HA   GLY  78          1HA       GLY  78  15.798  -0.760   3.688
  567   2HA   GLY  78          2HA       GLY  78  14.971   0.162   2.423
  568    H    THR  79           H        THR  79  13.677   0.737   4.349
  569    HA   THR  79           HA       THR  79  11.411  -1.133   4.808
  570    HB   THR  79           HB       THR  79  12.500   0.998   6.699
  571    HG1  THR  79           HG1      THR  79  13.303  -0.822   7.847
  572   1HG2  THR  79          1HG2      THR  79  10.095   0.436   6.989
  573   2HG2  THR  79          2HG2      THR  79  10.506  -1.291   7.082
  574   3HG2  THR  79          3HG2      THR  79  11.058  -0.174   8.348
  575    OH   TYR  80           OH       TYR  80  12.469   0.258  -2.080
  576    H    TYR  80           H        TYR  80   9.487  -0.277   4.155
  577    HA   TYR  80           HA       TYR  80   9.398   2.596   3.326
  578   1HB   TYR  80          1HB       TYR  80   8.164   0.113   2.084
  579   2HB   TYR  80          2HB       TYR  80   7.843   1.761   1.583
  580    HD1  TYR  80           HD1      TYR  80  10.776  -0.606   2.021
  581    HD2  TYR  80           HD2      TYR  80   8.858   2.418  -0.389
  582    HE1  TYR  80           HE1      TYR  80  12.525  -0.857   0.314
  583    HE2  TYR  80           HE2      TYR  80  10.499   1.998  -2.184
  584    HH   TYR  80           HH       TYR  80  13.087  -0.446  -1.849
  585    H    SER  81           H        SER  81   7.683   3.733   4.115
  586    HA   SER  81           HA       SER  81   5.489   2.241   5.520
  587   1HB   SER  81          1HB       SER  81   6.325   5.124   5.849
  588   2HB   SER  81          2HB       SER  81   5.126   4.236   6.804
  589    HG   SER  81           HG       SER  81   7.895   3.603   6.590
  590    H    PHE  82           H        PHE  82   3.320   2.691   4.906
  591    HA   PHE  82           HA       PHE  82   2.873   4.686   2.800
  592   1HB   PHE  82          1HB       PHE  82   1.733   3.027   1.338
  593   2HB   PHE  82          2HB       PHE  82   3.417   2.721   1.505
  594    HD1  PHE  82           HD2      PHE  82   0.088   1.712   2.935
  595    HD2  PHE  82           HD1      PHE  82   4.149   0.436   2.116
  596    HE1  PHE  82           HE2      PHE  82  -0.346  -0.447   4.013
  597    HE2  PHE  82           HE1      PHE  82   3.611  -1.767   3.037
  598    HZ   PHE  82           HZ       PHE  82   1.410  -2.196   4.097
  599    OH   TYR  83           OH       TYR  83   1.074  10.661   1.716
  600    H    TYR  83           H        TYR  83   0.536   4.725   2.189
  601    HA   TYR  83           HA       TYR  83  -1.351   3.988   4.284
  602   1HB   TYR  83          1HB       TYR  83  -1.970   6.341   4.811
  603   2HB   TYR  83          2HB       TYR  83  -0.337   5.937   5.319
  604    HD1  TYR  83           HD2      TYR  83  -2.269   7.729   2.646
  605    HD2  TYR  83           HD1      TYR  83   1.565   7.133   4.532
  606    HE1  TYR  83           HE2      TYR  83  -1.384   9.700   1.461
  607    HE2  TYR  83           HE1      TYR  83   2.437   9.136   3.363
  608    HH   TYR  83           HH       TYR  83   0.443  11.069   1.120
  609    H    CYS  84           H        CYS  84  -3.540   4.847   3.852
  610    HA   CYS  84           HA       CYS  84  -4.139   4.903   0.901
  611   1HB   CYS  84          1HB       CYS  84  -5.240   3.078   2.096
  612   2HB   CYS  84          2HB       CYS  84  -5.688   4.184   3.407
  613    H    SER  85           H        SER  85  -4.286   7.037   0.169
  614    HA   SER  85           HA       SER  85  -4.221   9.159   1.768
  615   1HB   SER  85          1HB       SER  85  -5.784   9.775  -0.673
  616   2HB   SER  85          2HB       SER  85  -4.282  10.438  -0.039
  617    HG   SER  85           HG       SER  85  -3.681   9.278  -1.785
  618    HA   PRO  86           HA       PRO  86  -8.869  10.127   1.965
  619   1HB   PRO  86          1HB       PRO  86 -10.770   8.235   1.384
  620   2HB   PRO  86          2HB       PRO  86 -10.037   9.315   0.167
  621   1HG   PRO  86          1HG       PRO  86  -9.188   6.493   0.860
  622   2HG   PRO  86          2HG       PRO  86  -9.565   7.144  -0.761
  623   1HD   PRO  86          1HD       PRO  86  -7.013   7.027   0.046
  624   2HD   PRO  86          2HD       PRO  86  -7.608   8.486  -0.779
  625    H    HIS  87           H        HIS  87  -7.263   7.419   3.362
  626    HA   HIS  87           HA       HIS  87  -9.052   7.639   5.749
  627   1HB   HIS  87          1HB       HIS  87  -8.013   5.076   4.554
  628   2HB   HIS  87          2HB       HIS  87  -8.925   5.215   6.061
  629    HD2  HIS  87           HD2      HIS  87 -11.436   6.805   5.408
  630    HE1  HIS  87           HE1      HIS  87 -12.096   4.174   2.137
  631    HE2  HIS  87           HE2      HIS  87 -13.175   5.861   3.697
  632    H    GLN  88           H        GLN  88  -5.944   8.197   4.674
  633    HA   GLN  88           HA       GLN  88  -4.365   6.893   6.576
  634   1HB   GLN  88          1HB       GLN  88  -2.710   8.525   6.109
  635   2HB   GLN  88          2HB       GLN  88  -3.558   8.131   4.616
  636   1HG   GLN  88          1HG       GLN  88  -4.887  10.267   4.878
  637   2HG   GLN  88          2HG       GLN  88  -3.859  10.680   6.259
  638   1HE2  GLN  88          1HE2      GLN  88  -0.912  11.214   4.230
  639   2HE2  GLN  88          2HE2      GLN  88  -1.389  10.564   5.785
  640    H    GLY  89           H        GLY  89  -6.184   9.942   6.821
  641   1HA   GLY  89          1HA       GLY  89  -5.423  10.732   9.431
  642   2HA   GLY  89          2HA       GLY  89  -6.947  11.140   8.620
  643    H    ALA  90           H        ALA  90  -7.669   8.216   8.317
  644    HA   ALA  90           HA       ALA  90  -8.831   7.829  11.002
  645   1HB   ALA  90          1HB       ALA  90 -10.265   6.219   9.883
  646   2HB   ALA  90          2HB       ALA  90 -10.268   7.746   8.981
  647   3HB   ALA  90          3HB       ALA  90  -9.329   6.358   8.383
  648    H    GLY  91           H        GLY  91  -5.854   7.155   9.865
  649   1HA   GLY  91          1HA       GLY  91  -4.312   5.796  10.852
  650   2HA   GLY  91          2HA       GLY  91  -5.571   4.806  11.592
  651    H    MET  92           H        MET  92  -6.089   5.252   8.143
  652    HA   MET  92           HA       MET  92  -5.370   2.439   7.796
  653   1HB   MET  92          1HB       MET  92  -7.386   3.430   6.733
  654   2HB   MET  92          2HB       MET  92  -6.308   4.335   5.644
  655   1HG   MET  92          1HG       MET  92  -5.417   2.288   4.716
  656   2HG   MET  92          2HG       MET  92  -6.072   1.328   6.034
  657   1HE   MET  92          1HE       MET  92  -7.741  -0.429   3.188
  658   2HE   MET  92          2HE       MET  92  -6.723  -0.527   4.638
  659   3HE   MET  92          3HE       MET  92  -6.112   0.281   3.178
  660    H    VAL  93           H        VAL  93  -3.200   2.735   8.422
  661    HA   VAL  93           HA       VAL  93  -1.355   3.537   6.232
  662    HB   VAL  93           HB       VAL  93   0.245   4.274   7.810
  663   1HG1  VAL  93          1HG1      VAL  93  -2.407   5.481   8.709
  664   2HG1  VAL  93          2HG1      VAL  93  -0.805   6.238   8.702
  665   3HG1  VAL  93          3HG1      VAL  93  -1.619   5.869   7.172
  666   1HG2  VAL  93          1HG2      VAL  93  -1.728   3.427   9.964
  667   2HG2  VAL  93          2HG2      VAL  93  -0.147   2.685   9.625
  668   3HG2  VAL  93          3HG2      VAL  93  -0.230   4.345  10.241
  669    H    GLY  94           H        GLY  94   0.817   2.360   6.449
  670   1HA   GLY  94          1HA       GLY  94   0.909  -0.110   7.892
  671   2HA   GLY  94          2HA       GLY  94   0.486  -0.410   6.202
  672    H    LYS  95           H        LYS  95   2.750  -1.544   6.707
  673    HA   LYS  95           HA       LYS  95   4.870   0.169   5.590
  674   1HB   LYS  95          1HB       LYS  95   5.180  -1.496   8.125
  675   2HB   LYS  95          2HB       LYS  95   6.484  -0.619   7.311
  676   1HG   LYS  95          1HG       LYS  95   5.340   1.531   7.781
  677   2HG   LYS  95          2HG       LYS  95   4.077   0.676   8.677
  678   1HD   LYS  95          1HD       LYS  95   7.043   0.660   9.388
  679   2HD   LYS  95          2HD       LYS  95   5.806   1.677  10.134
  680   1HE   LYS  95          1HE       LYS  95   4.568  -0.408  10.842
  681   2HE   LYS  95          2HE       LYS  95   5.933  -1.372  10.244
  682   1HZ   LYS  95          1HZ       LYS  95   6.086  -0.967  12.560
  683   2HZ   LYS  95          2HZ       LYS  95   7.340  -0.237  11.781
  684   3HZ   LYS  95          3HZ       LYS  95   6.078   0.665  12.342
  685    H    VAL  96           H        VAL  96   6.751  -1.116   4.877
  686    HA   VAL  96           HA       VAL  96   6.406  -3.995   4.700
  687    HB   VAL  96           HB       VAL  96   5.040  -3.394   2.867
  688   1HG1  VAL  96          1HG1      VAL  96   5.726  -2.074   0.956
  689   2HG1  VAL  96          2HG1      VAL  96   6.018  -1.081   2.397
  690   3HG1  VAL  96          3HG1      VAL  96   7.370  -1.909   1.589
  691   1HG2  VAL  96          1HG2      VAL  96   6.067  -4.570   1.093
  692   2HG2  VAL  96          2HG2      VAL  96   7.694  -4.301   1.744
  693   3HG2  VAL  96          3HG2      VAL  96   6.533  -5.332   2.626
  694    H    THR  97           H        THR  97   8.308  -4.990   4.598
  695    HA   THR  97           HA       THR  97  10.782  -3.312   4.494
  696    HB   THR  97           HB       THR  97  10.760  -6.106   5.593
  697    HG1  THR  97           HG1      THR  97   8.921  -5.118   6.552
  698   1HG2  THR  97          1HG2      THR  97  12.849  -4.784   5.460
  699   2HG2  THR  97          2HG2      THR  97  12.112  -3.525   6.477
  700   3HG2  THR  97          3HG2      THR  97  12.388  -5.148   7.135
  701    H    VAL  98           H        VAL  98  12.249  -3.671   2.824
  702    HA   VAL  98           HA       VAL  98  11.671  -5.923   0.958
  703    HB   VAL  98           HB       VAL  98  13.333  -3.409   0.583
  704   1HG1  VAL  98          1HG1      VAL  98  12.352  -5.574  -1.340
  705   2HG1  VAL  98          2HG1      VAL  98  13.211  -4.105  -1.823
  706   3HG1  VAL  98          3HG1      VAL  98  14.046  -5.330  -0.856
  707   1HG2  VAL  98          1HG2      VAL  98  10.921  -2.888   0.820
  708   2HG2  VAL  98          2HG2      VAL  98  11.461  -2.712  -0.849
  709   3HG2  VAL  98          3HG2      VAL  98  10.529  -4.147  -0.366
  710    H    ASN  99           H        ASN  99  12.612  -7.635   1.914
  711    HA   ASN  99           HA       ASN  99  15.149  -7.476   3.360
  712   1HB   ASN  99          1HB       ASN  99  13.393  -9.821   2.517
  713   2HB   ASN  99          2HB       ASN  99  14.884  -9.970   3.457
  714   1HD2  ASN  99          1HD2      ASN  99  12.485 -10.028   6.128
  715   2HD2  ASN  99          2HD2      ASN  99  13.287 -11.066   4.967
   
  Start of MODEL           4
 Raw file had 715 H/Q atoms
  Start of MODEL    4
    1    H    LEU   1           H        LEU   1   2.212  -8.379  -0.757
    2    HA   LEU   1           HA       LEU   1   2.359 -11.005  -1.443
    3   1HB   LEU   1          1HB       LEU   1   0.823 -10.872   1.175
    4   2HB   LEU   1          2HB       LEU   1   1.352 -12.276   0.258
    5    HG   LEU   1           HG       LEU   1   2.652 -12.372   2.116
    6   1HD1  LEU   1          1HD1      LEU   1   4.939 -11.930   1.604
    7   2HD1  LEU   1          2HD1      LEU   1   4.137 -12.390   0.088
    8   3HD1  LEU   1          3HD1      LEU   1   4.535 -10.687   0.423
    9   1HD2  LEU   1          1HD2      LEU   1   1.961 -10.280   3.138
   10   2HD2  LEU   1          2HD2      LEU   1   3.713 -10.506   3.285
   11   3HD2  LEU   1          3HD2      LEU   1   3.057  -9.370   2.089
   12    H    GLU   2           H        GLU   2  -0.471 -11.629  -0.681
   13    HA   GLU   2           HA       GLU   2  -1.849  -9.666  -2.372
   14   1HB   GLU   2          1HB       GLU   2  -2.251 -12.122  -2.534
   15   2HB   GLU   2          2HB       GLU   2  -3.004 -12.048  -0.922
   16   1HG   GLU   2          1HG       GLU   2  -4.607 -10.322  -1.820
   17   2HG   GLU   2          2HG       GLU   2  -3.874 -10.498  -3.421
   18    H    VAL   3           H        VAL   3  -1.564  -7.863  -1.063
   19    HA   VAL   3           HA       VAL   3  -2.316  -7.863   1.762
   20    HB   VAL   3           HB       VAL   3  -1.632  -5.499   0.000
   21   1HG1  VAL   3          1HG1      VAL   3  -1.099  -4.419   2.196
   22   2HG1  VAL   3          2HG1      VAL   3  -2.814  -4.847   2.083
   23   3HG1  VAL   3          3HG1      VAL   3  -1.703  -5.852   3.035
   24   1HG2  VAL   3          1HG2      VAL   3   0.156  -7.192   1.788
   25   2HG2  VAL   3          2HG2      VAL   3   0.258  -7.026   0.024
   26   3HG2  VAL   3          3HG2      VAL   3   0.600  -5.637   1.053
   27    H    LEU   4           H        LEU   4  -4.434  -7.939   2.333
   28    HA   LEU   4           HA       LEU   4  -6.502  -6.963   0.486
   29   1HB   LEU   4          1HB       LEU   4  -6.765  -8.052   3.301
   30   2HB   LEU   4          2HB       LEU   4  -8.076  -7.726   2.185
   31    HG   LEU   4           HG       LEU   4  -5.886  -9.828   1.903
   32   1HD1  LEU   4          1HD1      LEU   4  -7.737 -10.324   3.482
   33   2HD1  LEU   4          2HD1      LEU   4  -8.916 -10.041   2.182
   34   3HD1  LEU   4          3HD1      LEU   4  -7.773 -11.396   2.068
   35   1HD2  LEU   4          1HD2      LEU   4  -6.321  -9.043  -0.359
   36   2HD2  LEU   4          2HD2      LEU   4  -7.135 -10.589  -0.133
   37   3HD2  LEU   4          3HD2      LEU   4  -8.081  -9.088  -0.086
   38    H    LEU   5           H        LEU   5  -7.210  -4.959   0.406
   39    HA   LEU   5           HA       LEU   5  -6.397  -2.949   2.382
   40   1HB   LEU   5          1HB       LEU   5  -8.069  -2.692  -0.115
   41   2HB   LEU   5          2HB       LEU   5  -7.394  -1.373   0.850
   42    HG   LEU   5           HG       LEU   5  -5.735  -3.422  -0.685
   43   1HD1  LEU   5          1HD1      LEU   5  -7.048  -1.866  -2.144
   44   2HD1  LEU   5          2HD1      LEU   5  -6.290  -0.494  -1.304
   45   3HD1  LEU   5          3HD1      LEU   5  -5.303  -1.610  -2.258
   46   1HD2  LEU   5          1HD2      LEU   5  -3.929  -1.688  -0.217
   47   2HD2  LEU   5          2HD2      LEU   5  -5.038  -0.943   0.942
   48   3HD2  LEU   5          3HD2      LEU   5  -4.476  -2.617   1.187
   49    H    GLY   6           H        GLY   6  -7.537  -3.021   4.267
   50   1HA   GLY   6          1HA       GLY   6  -9.333  -2.521   5.574
   51   2HA   GLY   6          2HA       GLY   6 -10.450  -2.683   4.232
   52    H    SER   7           H        SER   7 -10.013  -4.112   7.133
   53    HA   SER   7           HA       SER   7  -9.719  -6.882   6.361
   54   1HB   SER   7          1HB       SER   7 -10.324  -7.087   8.872
   55   2HB   SER   7          2HB       SER   7  -8.825  -6.240   8.455
   56    HG   SER   7           HG       SER   7 -11.300  -5.087   9.181
   57    H    GLY   8           H        GLY   8 -11.302  -8.364   6.771
   58   1HA   GLY   8          1HA       GLY   8 -13.664  -8.251   5.374
   59   2HA   GLY   8          2HA       GLY   8 -13.404  -9.369   6.722
   60    H    ASP   9           H        ASP   9 -13.277  -7.396   8.813
   61    HA   ASP   9           HA       ASP   9 -16.107  -7.076   9.325
   62   1HB   ASP   9          1HB       ASP   9 -15.462  -6.478  11.497
   63   2HB   ASP   9          2HB       ASP   9 -14.272  -7.688  11.011
   64    H    GLY  10           H        GLY  10 -14.188  -5.184   7.387
   65   1HA   GLY  10          1HA       GLY  10 -14.830  -3.194   6.403
   66   2HA   GLY  10          2HA       GLY  10 -15.900  -2.812   7.751
   67    H    SER  11           H        SER  11 -13.151  -3.669   9.395
   68    HA   SER  11           HA       SER  11 -12.572  -0.960   9.971
   69   1HB   SER  11          1HB       SER  11 -12.150  -2.710  11.597
   70   2HB   SER  11          2HB       SER  11 -10.784  -3.317  10.631
   71    HG   SER  11           HG       SER  11 -10.092  -1.866  12.235
   72    H    LEU  12           H        LEU  12 -11.153   0.437   9.288
   73    HA   LEU  12           HA       LEU  12 -10.052   0.171   6.624
   74   1HB   LEU  12          1HB       LEU  12  -9.952   2.406   8.700
   75   2HB   LEU  12          2HB       LEU  12  -9.566   2.592   6.989
   76    HG   LEU  12           HG       LEU  12 -12.329   1.774   8.037
   77   1HD1  LEU  12          1HD1      LEU  12 -11.255   4.481   7.187
   78   2HD1  LEU  12          2HD1      LEU  12 -12.966   4.102   7.471
   79   3HD1  LEU  12          3HD1      LEU  12 -11.800   4.008   8.802
   80   1HD2  LEU  12          1HD2      LEU  12 -13.035   2.414   5.727
   81   2HD2  LEU  12          2HD2      LEU  12 -11.323   2.585   5.284
   82   3HD2  LEU  12          3HD2      LEU  12 -11.972   1.002   5.759
   83    H    VAL  13           H        VAL  13  -8.668  -1.659   7.464
   84    HA   VAL  13           HA       VAL  13  -5.953  -0.543   8.074
   85    HB   VAL  13           HB       VAL  13  -5.469  -2.546   9.416
   86   1HG1  VAL  13          1HG1      VAL  13  -7.856  -0.978  10.484
   87   2HG1  VAL  13          2HG1      VAL  13  -6.639  -1.848  11.436
   88   3HG1  VAL  13          3HG1      VAL  13  -6.168  -0.422  10.493
   89   1HG2  VAL  13          1HG2      VAL  13  -7.186  -4.108   8.521
   90   2HG2  VAL  13          2HG2      VAL  13  -7.265  -3.972  10.282
   91   3HG2  VAL  13          3HG2      VAL  13  -8.460  -3.132   9.282
   92    H    PHE  14           H        PHE  14  -4.210  -1.568   7.081
   93    HA   PHE  14           HA       PHE  14  -4.846  -3.092   4.627
   94   1HB   PHE  14          1HB       PHE  14  -2.282  -2.071   5.924
   95   2HB   PHE  14          2HB       PHE  14  -2.276  -3.158   4.555
   96    HD1  PHE  14           HD2      PHE  14  -3.318   0.262   5.664
   97    HD2  PHE  14           HD1      PHE  14  -2.341  -2.317   2.347
   98    HE1  PHE  14           HE2      PHE  14  -3.125   2.220   4.160
   99    HE2  PHE  14           HE1      PHE  14  -2.031  -0.366   0.920
  100    HZ   PHE  14           HZ       PHE  14  -2.565   1.914   1.758
  101    H    VAL  15           H        VAL  15  -4.556  -5.373   4.504
  102    HA   VAL  15           HA       VAL  15  -3.571  -6.721   6.997
  103    HB   VAL  15           HB       VAL  15  -5.772  -7.634   5.158
  104   1HG1  VAL  15          1HG1      VAL  15  -6.115  -9.367   6.891
  105   2HG1  VAL  15          2HG1      VAL  15  -4.510  -9.506   6.168
  106   3HG1  VAL  15          3HG1      VAL  15  -4.696  -8.771   7.775
  107   1HG2  VAL  15          1HG2      VAL  15  -6.585  -5.753   6.469
  108   2HG2  VAL  15          2HG2      VAL  15  -7.231  -7.262   7.121
  109   3HG2  VAL  15          3HG2      VAL  15  -5.889  -6.445   7.954
  110    HA   PRO  16           HA       PRO  16  -1.714  -7.700   7.547
  111   1HB   PRO  16          1HB       PRO  16   1.017  -7.384   6.432
  112   2HB   PRO  16          2HB       PRO  16   0.460  -8.481   7.718
  113   1HG   PRO  16          1HG       PRO  16   1.093  -9.415   5.235
  114   2HG   PRO  16          2HG       PRO  16  -0.345 -10.056   6.097
  115   1HD   PRO  16          1HD       PRO  16  -0.266  -7.849   4.008
  116   2HD   PRO  16          2HD       PRO  16  -1.305  -9.301   4.046
  117    H    SER  17           H        SER  17  -0.948  -5.865   8.785
  118    HA   SER  17           HA       SER  17  -1.087  -3.295   7.415
  119   1HB   SER  17          1HB       SER  17  -0.399  -3.725  10.335
  120   2HB   SER  17          2HB       SER  17  -1.240  -2.371   9.560
  121    HG   SER  17           HG       SER  17  -2.839  -4.148   8.971
  122    H    GLU  18           H        GLU  18   1.320  -5.227   9.197
  123    HA   GLU  18           HA       GLU  18   3.529  -3.742   7.913
  124   1HB   GLU  18          1HB       GLU  18   4.835  -3.993   9.944
  125   2HB   GLU  18          2HB       GLU  18   3.389  -3.012  10.227
  126   1HG   GLU  18          1HG       GLU  18   2.256  -5.043  11.206
  127   2HG   GLU  18          2HG       GLU  18   3.768  -5.940  10.974
  128    H    PHE  19           H        PHE  19   5.159  -5.135   7.135
  129    HA   PHE  19           HA       PHE  19   5.277  -7.923   7.767
  130   1HB   PHE  19          1HB       PHE  19   4.573  -8.837   5.612
  131   2HB   PHE  19          2HB       PHE  19   3.241  -8.069   6.423
  132    HD1  PHE  19           HD2      PHE  19   2.519  -5.677   5.652
  133    HD2  PHE  19           HD1      PHE  19   5.040  -8.323   3.354
  134    HE1  PHE  19           HE2      PHE  19   1.883  -4.504   3.581
  135    HE2  PHE  19           HE1      PHE  19   4.487  -7.050   1.305
  136    HZ   PHE  19           HZ       PHE  19   2.943  -5.111   1.419
  137    H    SER  20           H        SER  20   6.748  -9.025   5.975
  138    HA   SER  20           HA       SER  20   8.780  -7.113   4.999
  139   1HB   SER  20          1HB       SER  20   9.332  -9.696   6.531
  140   2HB   SER  20          2HB       SER  20  10.540  -8.558   5.930
  141    HG   SER  20           HG       SER  20   9.394  -6.971   7.380
  142    H    VAL  21           H        VAL  21   9.746  -7.780   3.061
  143    HA   VAL  21           HA       VAL  21   8.968 -10.403   1.931
  144    HB   VAL  21           HB       VAL  21   8.438  -9.355  -0.204
  145   1HG1  VAL  21          1HG1      VAL  21   6.631  -9.716   1.504
  146   2HG1  VAL  21          2HG1      VAL  21   6.795  -7.996   1.937
  147   3HG1  VAL  21          3HG1      VAL  21   6.279  -8.458   0.304
  148   1HG2  VAL  21          1HG2      VAL  21   8.075  -6.913  -0.422
  149   2HG2  VAL  21          2HG2      VAL  21   8.796  -6.661   1.177
  150   3HG2  VAL  21          3HG2      VAL  21   9.775  -7.303  -0.162
  151    HA   PRO  22           HA       PRO  22  13.268 -10.206   0.813
  152   1HB   PRO  22          1HB       PRO  22  13.442 -11.969  -1.268
  153   2HB   PRO  22          2HB       PRO  22  13.116 -12.496   0.409
  154   1HG   PRO  22          1HG       PRO  22  11.108 -12.012  -1.804
  155   2HG   PRO  22          2HG       PRO  22  11.226 -13.438  -0.736
  156   1HD   PRO  22          1HD       PRO  22   9.486 -11.405  -0.212
  157   2HD   PRO  22          2HD       PRO  22  10.341 -12.245   1.108
  158    H    SER  23           H        SER  23  14.564  -9.098  -0.683
  159    HA   SER  23           HA       SER  23  13.559  -6.994  -2.189
  160   1HB   SER  23          1HB       SER  23  16.090  -8.601  -2.698
  161   2HB   SER  23          2HB       SER  23  15.777  -6.968  -3.300
  162    HG   SER  23           HG       SER  23  15.680  -7.646  -0.531
  163    H    GLY  24           H        GLY  24  12.348  -6.888  -4.001
  164   1HA   GLY  24          1HA       GLY  24  12.047  -7.254  -6.308
  165   2HA   GLY  24          2HA       GLY  24  12.823  -8.832  -6.212
  166    H    GLU  25           H        GLU  25  10.807  -9.021  -3.567
  167    HA   GLU  25           HA       GLU  25   8.930 -10.606  -5.040
  168   1HB   GLU  25          1HB       GLU  25   9.563 -10.353  -2.358
  169   2HB   GLU  25          2HB       GLU  25   7.958  -9.628  -2.417
  170   1HG   GLU  25          1HG       GLU  25   8.670 -12.394  -3.524
  171   2HG   GLU  25          2HG       GLU  25   8.028 -12.105  -1.908
  172    H    LYS  26           H        LYS  26   6.773 -10.185  -5.631
  173    HA   LYS  26           HA       LYS  26   6.135  -7.363  -6.097
  174   1HB   LYS  26          1HB       LYS  26   4.332  -8.307  -7.447
  175   2HB   LYS  26          2HB       LYS  26   5.943  -8.749  -8.010
  176   1HG   LYS  26          1HG       LYS  26   5.729 -10.995  -7.171
  177   2HG   LYS  26          2HG       LYS  26   4.214 -10.633  -6.330
  178   1HD   LYS  26          1HD       LYS  26   4.578 -10.426  -9.357
  179   2HD   LYS  26          2HD       LYS  26   4.033 -11.893  -8.530
  180   1HE   LYS  26          1HE       LYS  26   2.089 -10.670  -7.592
  181   2HE   LYS  26          2HE       LYS  26   2.585  -9.204  -8.461
  182   1HZ   LYS  26          1HZ       LYS  26   2.339 -10.393 -10.503
  183   2HZ   LYS  26          2HZ       LYS  26   1.869 -11.758  -9.707
  184   3HZ   LYS  26          3HZ       LYS  26   0.931 -10.406  -9.645
  185    H    ILE  27           H        ILE  27   4.382  -6.340  -5.211
  186    HA   ILE  27           HA       ILE  27   2.921  -7.731  -3.006
  187    HB   ILE  27           HB       ILE  27   3.392  -4.767  -3.366
  188   1HG1  ILE  27          1HG1      ILE  27   4.929  -6.684  -1.546
  189   2HG1  ILE  27          2HG1      ILE  27   5.586  -5.912  -3.000
  190   1HG2  ILE  27          1HG2      ILE  27   2.495  -6.369  -0.936
  191   2HG2  ILE  27          2HG2      ILE  27   2.602  -4.608  -1.055
  192   3HG2  ILE  27          3HG2      ILE  27   1.403  -5.471  -2.010
  193   1HD1  ILE  27          1HD1      ILE  27   5.182  -3.669  -1.996
  194   2HD1  ILE  27          2HD1      ILE  27   4.742  -4.473  -0.471
  195   3HD1  ILE  27          3HD1      ILE  27   6.368  -4.674  -1.141
  196    H    VAL  28           H        VAL  28   0.762  -7.837  -3.280
  197    HA   VAL  28           HA       VAL  28  -0.533  -6.421  -5.584
  198    HB   VAL  28           HB       VAL  28  -1.048  -9.207  -4.462
  199   1HG1  VAL  28          1HG1      VAL  28  -2.440  -7.682  -6.708
  200   2HG1  VAL  28          2HG1      VAL  28  -2.682  -9.398  -6.323
  201   3HG1  VAL  28          3HG1      VAL  28  -3.167  -8.160  -5.162
  202   1HG2  VAL  28          1HG2      VAL  28  -0.375  -9.960  -6.723
  203   2HG2  VAL  28          2HG2      VAL  28   0.075  -8.296  -7.138
  204   3HG2  VAL  28          3HG2      VAL  28   0.954  -9.168  -5.864
  205    H    PHE  29           H        PHE  29  -1.429  -4.694  -4.495
  206    HA   PHE  29           HA       PHE  29  -2.801  -5.153  -1.914
  207   1HB   PHE  29          1HB       PHE  29  -2.486  -2.703  -3.662
  208   2HB   PHE  29          2HB       PHE  29  -3.302  -2.742  -2.113
  209    HD1  PHE  29           HD1      PHE  29  -2.044  -3.119  -0.002
  210    HD2  PHE  29           HD2      PHE  29  -0.060  -2.648  -3.795
  211    HE1  PHE  29           HE1      PHE  29   0.060  -2.477   1.177
  212    HE2  PHE  29           HE2      PHE  29   2.043  -2.056  -2.601
  213    HZ   PHE  29           HZ       PHE  29   2.101  -1.969  -0.129
  214    H    LYS  30           H        LYS  30  -5.052  -5.512  -1.801
  215    HA   LYS  30           HA       LYS  30  -6.629  -5.258  -4.350
  216   1HB   LYS  30          1HB       LYS  30  -5.845  -7.566  -3.944
  217   2HB   LYS  30          2HB       LYS  30  -6.608  -7.534  -2.356
  218   1HG   LYS  30          1HG       LYS  30  -8.844  -7.323  -3.392
  219   2HG   LYS  30          2HG       LYS  30  -8.087  -7.194  -4.989
  220   1HD   LYS  30          1HD       LYS  30  -7.099  -9.494  -4.659
  221   2HD   LYS  30          2HD       LYS  30  -7.931  -9.592  -3.101
  222   1HE   LYS  30          1HE       LYS  30  -9.236 -10.786  -4.745
  223   2HE   LYS  30          2HE       LYS  30 -10.127  -9.322  -4.301
  224   1HZ   LYS  30          1HZ       LYS  30  -9.292  -8.303  -6.326
  225   2HZ   LYS  30          2HZ       LYS  30  -8.456  -9.674  -6.699
  226   3HZ   LYS  30          3HZ       LYS  30 -10.102  -9.697  -6.660
  227    H    ASN  31           H        ASN  31  -8.518  -4.186  -4.152
  228    HA   ASN  31           HA       ASN  31  -9.453  -3.098  -1.652
  229   1HB   ASN  31          1HB       ASN  31 -10.497  -3.290  -4.496
  230   2HB   ASN  31          2HB       ASN  31 -11.670  -3.042  -3.209
  231   1HD2  ASN  31          1HD2      ASN  31 -11.192   0.336  -4.152
  232   2HD2  ASN  31          2HD2      ASN  31 -11.999  -1.127  -4.690
  233    H    ASN  32           H        ASN  32 -10.035  -4.459  -0.018
  234    HA   ASN  32           HA       ASN  32 -11.613  -6.905  -0.660
  235   1HB   ASN  32          1HB       ASN  32  -9.666  -7.213   0.665
  236   2HB   ASN  32          2HB       ASN  32 -10.131  -5.973   1.811
  237   1HD2  ASN  32          1HD2      ASN  32 -11.917  -8.288   3.788
  238   2HD2  ASN  32          2HD2      ASN  32 -10.956  -6.810   3.684
  239    H    ALA  33           H        ALA  33 -11.630  -4.527   1.962
  240    HA   ALA  33           HA       ALA  33 -14.565  -4.076   1.662
  241   1HB   ALA  33          1HB       ALA  33 -14.348  -6.003   3.202
  242   2HB   ALA  33          2HB       ALA  33 -13.211  -5.072   4.198
  243   3HB   ALA  33          3HB       ALA  33 -14.909  -4.563   4.076
  244    H    GLY  34           H        GLY  34 -15.232  -2.269   3.294
  245   1HA   GLY  34          1HA       GLY  34 -14.967  -0.105   3.990
  246   2HA   GLY  34          2HA       GLY  34 -13.359  -0.589   4.540
  247    H    PHE  35           H        PHE  35 -14.026  -0.889   1.139
  248    HA   PHE  35           HA       PHE  35 -12.028   1.074   0.340
  249   1HB   PHE  35          1HB       PHE  35 -12.557   0.181  -1.917
  250   2HB   PHE  35          2HB       PHE  35 -12.195  -1.013  -0.730
  251    HD1  PHE  35           HD2      PHE  35 -15.031   0.687  -2.439
  252    HD2  PHE  35           HD1      PHE  35 -13.577  -2.830  -0.427
  253    HE1  PHE  35           HE2      PHE  35 -17.204  -0.464  -2.876
  254    HE2  PHE  35           HE1      PHE  35 -15.777  -3.951  -0.771
  255    HZ   PHE  35           HZ       PHE  35 -17.593  -2.761  -1.996
  256    HA   PRO  36           HA       PRO  36 -12.396   2.136  -2.236
  257   1HB   PRO  36          1HB       PRO  36 -11.802   4.619  -2.980
  258   2HB   PRO  36          2HB       PRO  36 -13.367   3.871  -3.365
  259   1HG   PRO  36          1HG       PRO  36 -12.818   5.686  -0.999
  260   2HG   PRO  36          2HG       PRO  36 -14.086   5.878  -2.254
  261   1HD   PRO  36          1HD       PRO  36 -14.637   4.602   0.080
  262   2HD   PRO  36          2HD       PRO  36 -15.280   3.959  -1.454
  263    H    HIS  37           H        HIS  37 -10.151   2.501  -2.640
  264    HA   HIS  37           HA       HIS  37  -8.555   3.649  -0.489
  265   1HB   HIS  37          1HB       HIS  37  -8.271   0.730  -1.310
  266   2HB   HIS  37          2HB       HIS  37  -7.308   1.539  -0.085
  267    HD2  HIS  37           HD2      HIS  37  -9.871  -0.990  -0.294
  268    HE1  HIS  37           HE1      HIS  37 -10.386   0.672   3.563
  269    HE2  HIS  37           HE2      HIS  37 -10.767  -1.369   2.085
  270    H    ASN  38           H        ASN  38  -6.150   3.243  -0.962
  271    HA   ASN  38           HA       ASN  38  -5.293   2.640  -3.585
  272   1HB   ASN  38          1HB       ASN  38  -4.418   4.831  -4.178
  273   2HB   ASN  38          2HB       ASN  38  -6.165   4.901  -4.034
  274   1HD2  ASN  38          1HD2      ASN  38  -5.260   7.978  -2.438
  275   2HD2  ASN  38          2HD2      ASN  38  -5.623   7.289  -4.012
  276    H    VAL  39           H        VAL  39  -2.747   3.419  -3.458
  277    HA   VAL  39           HA       VAL  39  -1.815   3.011  -0.663
  278    HB   VAL  39           HB       VAL  39  -0.754   1.467  -3.058
  279   1HG1  VAL  39          1HG1      VAL  39   0.476   0.239  -1.324
  280   2HG1  VAL  39          2HG1      VAL  39   0.896   1.945  -1.252
  281   3HG1  VAL  39          3HG1      VAL  39  -0.224   1.260  -0.055
  282   1HG2  VAL  39          1HG2      VAL  39  -2.734   0.686  -0.878
  283   2HG2  VAL  39          2HG2      VAL  39  -2.923   0.542  -2.639
  284   3HG2  VAL  39          3HG2      VAL  39  -1.776  -0.488  -1.780
  285    H    VAL  40           H        VAL  40  -0.762   4.821  -0.254
  286    HA   VAL  40           HA       VAL  40   1.003   6.037  -2.320
  287    HB   VAL  40           HB       VAL  40  -0.309   7.283   0.130
  288   1HG1  VAL  40          1HG1      VAL  40   1.803   8.381  -0.426
  289   2HG1  VAL  40          2HG1      VAL  40   1.358   8.460  -2.139
  290   3HG1  VAL  40          3HG1      VAL  40   0.470   9.419  -0.932
  291   1HG2  VAL  40          1HG2      VAL  40  -1.686   8.545  -1.524
  292   2HG2  VAL  40          2HG2      VAL  40  -1.056   7.489  -2.812
  293   3HG2  VAL  40          3HG2      VAL  40  -2.051   6.819  -1.504
  294    H    PHE  41           H        PHE  41   3.162   6.008  -1.830
  295    HA   PHE  41           HA       PHE  41   3.993   4.838   0.762
  296   1HB   PHE  41          1HB       PHE  41   5.419   5.368  -1.845
  297   2HB   PHE  41          2HB       PHE  41   6.247   4.893  -0.381
  298    HD1  PHE  41           HD2      PHE  41   5.857   2.723   0.720
  299    HD2  PHE  41           HD1      PHE  41   3.991   3.697  -3.012
  300    HE1  PHE  41           HE2      PHE  41   5.585   0.294   0.233
  301    HE2  PHE  41           HE1      PHE  41   3.479   1.287  -3.389
  302    HZ   PHE  41           HZ       PHE  41   4.330  -0.421  -1.791
  303    H    ASP  42           H        ASP  42   4.917   6.028   2.342
  304    HA   ASP  42           HA       ASP  42   4.735   8.913   2.196
  305   1HB   ASP  42          1HB       ASP  42   4.292   7.671   4.264
  306   2HB   ASP  42          2HB       ASP  42   5.960   7.085   4.282
  307    H    GLU  43           H        GLU  43   6.074   9.809   0.758
  308    HA   GLU  43           HA       GLU  43   8.485   9.200  -0.227
  309   1HB   GLU  43          1HB       GLU  43   8.826  11.793  -0.345
  310   2HB   GLU  43          2HB       GLU  43   7.548  10.986  -1.241
  311   1HG   GLU  43          1HG       GLU  43   6.764  13.066  -0.247
  312   2HG   GLU  43          2HG       GLU  43   5.836  11.705   0.350
  313    H    ASP  44           H        ASP  44   8.174  10.605   3.030
  314    HA   ASP  44           HA       ASP  44  11.071  11.013   3.256
  315   1HB   ASP  44          1HB       ASP  44   8.847  11.042   5.350
  316   2HB   ASP  44          2HB       ASP  44  10.539  11.446   5.648
  317    H    GLU  45           H        GLU  45   8.695   8.592   4.353
  318    HA   GLU  45           HA       GLU  45  10.804   6.973   5.660
  319   1HB   GLU  45          1HB       GLU  45   7.808   6.708   5.534
  320   2HB   GLU  45          2HB       GLU  45   8.886   5.712   6.534
  321   1HG   GLU  45          1HG       GLU  45   9.554   7.675   7.838
  322   2HG   GLU  45          2HG       GLU  45   8.576   8.741   6.828
  323    H    ILE  46           H        ILE  46  11.488   6.868   3.127
  324    HA   ILE  46           HA       ILE  46  11.141   4.068   2.418
  325    HB   ILE  46           HB       ILE  46  10.732   4.593   0.028
  326   1HG1  ILE  46          1HG1      ILE  46   9.898   7.365   0.923
  327   2HG1  ILE  46          2HG1      ILE  46  11.431   7.016   0.115
  328   1HG2  ILE  46          1HG2      ILE  46   8.863   3.874   1.517
  329   2HG2  ILE  46          2HG2      ILE  46   8.371   5.566   1.666
  330   3HG2  ILE  46          3HG2      ILE  46   8.385   4.764   0.086
  331   1HD1  ILE  46          1HD1      ILE  46   9.992   7.751  -1.592
  332   2HD1  ILE  46          2HD1      ILE  46  10.095   5.994  -1.791
  333   3HD1  ILE  46          3HD1      ILE  46   8.649   6.724  -1.053
  334    HA   PRO  47           HA       PRO  47  15.427   4.849   1.385
  335   1HB   PRO  47          1HB       PRO  47  15.029   3.300  -1.176
  336   2HB   PRO  47          2HB       PRO  47  16.269   3.084   0.085
  337   1HG   PRO  47          1HG       PRO  47  14.175   1.372  -0.109
  338   2HG   PRO  47          2HG       PRO  47  14.719   1.945   1.491
  339   1HD   PRO  47          1HD       PRO  47  12.397   3.029  -0.149
  340   2HD   PRO  47          2HD       PRO  47  12.447   2.548   1.569
  341    H    ALA  48           H        ALA  48  15.639   6.975   0.832
  342    HA   ALA  48           HA       ALA  48  14.273   8.669  -0.678
  343   1HB   ALA  48          1HB       ALA  48  16.276  10.069  -0.834
  344   2HB   ALA  48          2HB       ALA  48  16.169   9.282   0.750
  345   3HB   ALA  48          3HB       ALA  48  17.309   8.669  -0.471
  346    H    GLY  49           H        GLY  49  16.816   6.625  -2.138
  347   1HA   GLY  49          1HA       GLY  49  16.926   7.815  -4.688
  348   2HA   GLY  49          2HA       GLY  49  17.287   6.122  -4.327
  349    H    VAL  50           H        VAL  50  14.500   5.538  -3.366
  350    HA   VAL  50           HA       VAL  50  13.387   4.970  -6.019
  351    HB   VAL  50           HB       VAL  50  12.380   4.186  -3.259
  352   1HG1  VAL  50          1HG1      VAL  50  11.161   2.440  -4.587
  353   2HG1  VAL  50          2HG1      VAL  50  10.621   4.077  -4.985
  354   3HG1  VAL  50          3HG1      VAL  50  11.717   3.210  -6.081
  355   1HG2  VAL  50          1HG2      VAL  50  13.393   1.987  -3.810
  356   2HG2  VAL  50          2HG2      VAL  50  14.125   2.686  -5.267
  357   3HG2  VAL  50          3HG2      VAL  50  14.624   3.242  -3.655
  358    H    ASP  51           H        ASP  51  12.540   6.806  -6.904
  359    HA   ASP  51           HA       ASP  51  11.213   8.910  -5.635
  360   1HB   ASP  51          1HB       ASP  51  11.912   9.125  -7.912
  361   2HB   ASP  51          2HB       ASP  51  10.935   7.738  -8.416
  362    H    ALA  52           H        ALA  52   9.527   8.803  -4.349
  363    HA   ALA  52           HA       ALA  52   7.765   6.790  -3.800
  364   1HB   ALA  52          1HB       ALA  52   6.354   8.461  -2.744
  365   2HB   ALA  52          2HB       ALA  52   8.066   8.834  -2.457
  366   3HB   ALA  52          3HB       ALA  52   7.154   9.763  -3.660
  367    H    VAL  53           H        VAL  53   7.393   9.321  -6.296
  368    HA   VAL  53           HA       VAL  53   4.683   8.829  -6.939
  369    HB   VAL  53           HB       VAL  53   6.914   9.880  -8.726
  370   1HG1  VAL  53          1HG1      VAL  53   3.885  10.115  -8.956
  371   2HG1  VAL  53          2HG1      VAL  53   5.050  11.056  -9.908
  372   3HG1  VAL  53          3HG1      VAL  53   4.979   9.305 -10.100
  373   1HG2  VAL  53          1HG2      VAL  53   6.689  11.233  -6.654
  374   2HG2  VAL  53          2HG2      VAL  53   6.055  12.114  -8.043
  375   3HG2  VAL  53          3HG2      VAL  53   4.936  11.333  -6.910
  376    H    LYS  54           H        LYS  54   7.580   6.968  -7.797
  377    HA   LYS  54           HA       LYS  54   6.234   5.600 -10.027
  378   1HB   LYS  54          1HB       LYS  54   8.782   4.905  -8.527
  379   2HB   LYS  54          2HB       LYS  54   8.239   4.160 -10.014
  380   1HG   LYS  54          1HG       LYS  54   9.009   7.072  -9.587
  381   2HG   LYS  54          2HG       LYS  54  10.015   5.871 -10.378
  382   1HD   LYS  54          1HD       LYS  54   7.318   6.811 -11.498
  383   2HD   LYS  54          2HD       LYS  54   8.854   7.585 -11.827
  384   1HE   LYS  54          1HE       LYS  54   8.356   6.176 -13.674
  385   2HE   LYS  54          2HE       LYS  54   9.753   5.497 -12.826
  386   1HZ   LYS  54          1HZ       LYS  54   8.334   3.860 -11.887
  387   2HZ   LYS  54          2HZ       LYS  54   6.981   4.567 -12.509
  388   3HZ   LYS  54          3HZ       LYS  54   8.094   3.878 -13.509
  389    H    ILE  55           H        ILE  55   6.993   4.872  -6.639
  390    HA   ILE  55           HA       ILE  55   5.817   2.194  -6.764
  391    HB   ILE  55           HB       ILE  55   6.166   2.127  -4.393
  392   1HG1  ILE  55          1HG1      ILE  55   7.676   4.759  -4.814
  393   2HG1  ILE  55          2HG1      ILE  55   6.141   4.585  -3.929
  394   1HG2  ILE  55          1HG2      ILE  55   7.751   1.246  -6.099
  395   2HG2  ILE  55          2HG2      ILE  55   8.629   2.791  -6.041
  396   3HG2  ILE  55          3HG2      ILE  55   8.545   1.738  -4.611
  397   1HD1  ILE  55          1HD1      ILE  55   7.345   2.784  -2.577
  398   2HD1  ILE  55          2HD1      ILE  55   8.848   3.432  -3.274
  399   3HD1  ILE  55          3HD1      ILE  55   7.830   4.484  -2.272
  400    H    SER  56           H        SER  56   4.700   5.410  -5.776
  401    HA   SER  56           HA       SER  56   2.357   4.431  -4.376
  402   1HB   SER  56          1HB       SER  56   3.094   7.206  -5.331
  403   2HB   SER  56          2HB       SER  56   1.800   6.821  -4.206
  404    HG   SER  56           HG       SER  56   4.596   6.564  -3.901
  405    H    MET  57           H        MET  57   0.283   4.372  -4.944
  406    HA   MET  57           HA       MET  57  -0.545   4.547  -7.712
  407   1HB   MET  57          1HB       MET  57  -1.470   3.035  -5.866
  408   2HB   MET  57          2HB       MET  57  -2.179   4.467  -5.117
  409   1HG   MET  57          1HG       MET  57  -2.829   3.504  -7.930
  410   2HG   MET  57          2HG       MET  57  -3.709   3.010  -6.487
  411   1HE   MET  57          1HE       MET  57  -5.979   3.640  -7.557
  412   2HE   MET  57          2HE       MET  57  -6.320   5.224  -8.288
  413   3HE   MET  57          3HE       MET  57  -5.114   4.149  -9.030
  414    HA   PRO  58           HA       PRO  58  -0.780   9.026  -7.572
  415   1HB   PRO  58          1HB       PRO  58  -3.158   9.487  -9.049
  416   2HB   PRO  58          2HB       PRO  58  -1.480   9.396  -9.637
  417   1HG   PRO  58          1HG       PRO  58  -3.567   7.219  -9.576
  418   2HG   PRO  58          2HG       PRO  58  -2.362   7.555 -10.849
  419   1HD   PRO  58          1HD       PRO  58  -2.050   5.545  -9.079
  420   2HD   PRO  58          2HD       PRO  58  -0.635   6.526  -9.550
  421    H    GLU  59           H        GLU  59  -1.127   9.742  -5.644
  422    HA   GLU  59           HA       GLU  59  -2.745   9.115  -3.649
  423   1HB   GLU  59          1HB       GLU  59  -1.984  12.025  -4.162
  424   2HB   GLU  59          2HB       GLU  59  -2.268  11.227  -2.616
  425   1HG   GLU  59          1HG       GLU  59   0.011  11.185  -2.605
  426   2HG   GLU  59          2HG       GLU  59  -0.262   9.644  -3.425
  427    H    GLU  60           H        GLU  60  -3.760  11.476  -6.054
  428    HA   GLU  60           HA       GLU  60  -6.178  12.224  -4.684
  429   1HB   GLU  60          1HB       GLU  60  -4.795  13.608  -6.271
  430   2HB   GLU  60          2HB       GLU  60  -5.384  12.622  -7.609
  431   1HG   GLU  60          1HG       GLU  60  -7.152  14.214  -5.690
  432   2HG   GLU  60          2HG       GLU  60  -6.524  14.856  -7.213
  433    H    GLU  61           H        GLU  61  -5.317   9.760  -7.063
  434    HA   GLU  61           HA       GLU  61  -8.089   9.178  -7.796
  435   1HB   GLU  61          1HB       GLU  61  -5.438   7.853  -8.475
  436   2HB   GLU  61          2HB       GLU  61  -7.000   7.487  -9.214
  437   1HG   GLU  61          1HG       GLU  61  -7.164   9.772 -10.118
  438   2HG   GLU  61          2HG       GLU  61  -5.633  10.219  -9.355
  439    H    LEU  62           H        LEU  62  -8.827   6.821  -7.631
  440    HA   LEU  62           HA       LEU  62  -7.655   5.266  -5.487
  441   1HB   LEU  62          1HB       LEU  62  -9.729   5.285  -4.099
  442   2HB   LEU  62          2HB       LEU  62  -8.660   6.674  -4.039
  443    HG   LEU  62           HG       LEU  62 -10.217   7.915  -5.615
  444   1HD1  LEU  62          1HD1      LEU  62 -12.610   7.060  -5.594
  445   2HD1  LEU  62          2HD1      LEU  62 -11.530   6.197  -6.683
  446   3HD1  LEU  62          3HD1      LEU  62 -11.977   5.469  -5.125
  447   1HD2  LEU  62          1HD2      LEU  62 -10.088   8.261  -3.263
  448   2HD2  LEU  62          2HD2      LEU  62 -11.789   8.370  -3.766
  449   3HD2  LEU  62          3HD2      LEU  62 -11.188   6.905  -2.937
  450    H    LEU  63           H        LEU  63  -8.714   3.287  -5.107
  451    HA   LEU  63           HA       LEU  63  -9.860   2.033  -7.512
  452   1HB   LEU  63          1HB       LEU  63  -9.131   0.926  -4.770
  453   2HB   LEU  63          2HB       LEU  63  -9.519  -0.006  -6.221
  454    HG   LEU  63           HG       LEU  63  -7.078   1.776  -5.775
  455   1HD1  LEU  63          1HD1      LEU  63  -5.862  -0.347  -5.748
  456   2HD1  LEU  63          2HD1      LEU  63  -7.119  -0.348  -4.501
  457   3HD1  LEU  63          3HD1      LEU  63  -7.371  -1.244  -6.015
  458   1HD2  LEU  63          1HD2      LEU  63  -7.658   1.816  -8.171
  459   2HD2  LEU  63          2HD2      LEU  63  -6.231   0.805  -7.904
  460   3HD2  LEU  63          3HD2      LEU  63  -7.806   0.044  -8.186
  461    H    ASN  64           H        ASN  64 -12.044   2.418  -7.701
  462    HA   ASN  64           HA       ASN  64 -13.669   3.099  -5.392
  463   1HB   ASN  64          1HB       ASN  64 -15.419   3.532  -6.988
  464   2HB   ASN  64          2HB       ASN  64 -13.918   4.351  -7.434
  465   1HD2  ASN  64          1HD2      ASN  64 -15.500   2.717 -10.470
  466   2HD2  ASN  64          2HD2      ASN  64 -16.139   3.798  -9.247
  467    H    ALA  65           H        ALA  65 -13.833   0.499  -7.860
  468    HA   ALA  65           HA       ALA  65 -16.016  -0.821  -6.485
  469   1HB   ALA  65          1HB       ALA  65 -15.703  -2.486  -8.375
  470   2HB   ALA  65          2HB       ALA  65 -15.862  -0.806  -8.911
  471   3HB   ALA  65          3HB       ALA  65 -14.270  -1.580  -8.864
  472    HA   PRO  66           HA       PRO  66 -13.669  -3.719  -3.976
  473   1HB   PRO  66          1HB       PRO  66 -15.155  -6.011  -4.110
  474   2HB   PRO  66          2HB       PRO  66 -15.715  -4.567  -3.229
  475   1HG   PRO  66          1HG       PRO  66 -16.435  -5.381  -6.056
  476   2HG   PRO  66          2HG       PRO  66 -17.550  -4.919  -4.734
  477   1HD   PRO  66          1HD       PRO  66 -16.801  -3.126  -6.593
  478   2HD   PRO  66          2HD       PRO  66 -16.891  -2.628  -4.885
  479    H    GLY  67           H        GLY  67 -12.365  -5.742  -4.230
  480   1HA   GLY  67          1HA       GLY  67 -11.278  -7.372  -5.431
  481   2HA   GLY  67          2HA       GLY  67 -12.312  -7.080  -6.830
  482    H    GLU  68           H        GLU  68 -11.676  -4.227  -7.062
  483    HA   GLU  68           HA       GLU  68  -9.641  -4.124  -8.876
  484   1HB   GLU  68          1HB       GLU  68 -10.425  -2.049  -6.793
  485   2HB   GLU  68          2HB       GLU  68  -9.404  -1.692  -8.197
  486   1HG   GLU  68          1HG       GLU  68 -12.263  -2.767  -8.379
  487   2HG   GLU  68          2HG       GLU  68 -11.807  -1.066  -8.508
  488    H    THR  69           H        THR  69  -7.447  -4.272  -8.910
  489    HA   THR  69           HA       THR  69  -6.019  -4.485  -6.332
  490    HB   THR  69           HB       THR  69  -4.389  -5.745  -8.049
  491    HG1  THR  69           HG1      THR  69  -6.922  -6.323  -9.154
  492   1HG2  THR  69          1HG2      THR  69  -5.389  -6.805  -6.093
  493   2HG2  THR  69          2HG2      THR  69  -6.934  -6.995  -6.957
  494   3HG2  THR  69          3HG2      THR  69  -5.488  -7.869  -7.506
  495    OH   TYR  70           OH       TYR  70   1.640   2.216  -7.613
  496    H    TYR  70           H        TYR  70  -3.819  -3.825  -6.288
  497    HA   TYR  70           HA       TYR  70  -2.816  -1.981  -8.375
  498   1HB   TYR  70          1HB       TYR  70  -3.778  -0.530  -6.630
  499   2HB   TYR  70          2HB       TYR  70  -2.866  -1.353  -5.386
  500    HD1  TYR  70           HD2      TYR  70  -2.455   0.536  -8.605
  501    HD2  TYR  70           HD1      TYR  70  -0.674  -0.550  -4.830
  502    HE1  TYR  70           HE2      TYR  70  -0.470   1.933  -9.132
  503    HE2  TYR  70           HE1      TYR  70   1.301   0.846  -5.362
  504    HH   TYR  70           HH       TYR  70   2.330   2.191  -6.940
  505    H    VAL  71           H        VAL  71  -1.043  -3.065  -9.033
  506    HA   VAL  71           HA       VAL  71   0.391  -4.819  -7.128
  507    HB   VAL  71           HB       VAL  71   0.510  -4.722 -10.163
  508   1HG1  VAL  71          1HG1      VAL  71   1.583  -6.694  -8.095
  509   2HG1  VAL  71          2HG1      VAL  71   1.525  -7.006  -9.845
  510   3HG1  VAL  71          3HG1      VAL  71   2.538  -5.702  -9.219
  511   1HG2  VAL  71          1HG2      VAL  71  -1.739  -5.419  -9.489
  512   2HG2  VAL  71          2HG2      VAL  71  -0.834  -6.836 -10.024
  513   3HG2  VAL  71          3HG2      VAL  71  -1.064  -6.538  -8.287
  514    H    VAL  72           H        VAL  72   2.575  -4.561  -6.720
  515    HA   VAL  72           HA       VAL  72   4.195  -2.624  -8.215
  516    HB   VAL  72           HB       VAL  72   2.988  -1.247  -6.518
  517   1HG1  VAL  72          1HG1      VAL  72   4.509  -2.914  -4.467
  518   2HG1  VAL  72          2HG1      VAL  72   3.571  -1.444  -4.154
  519   3HG1  VAL  72          3HG1      VAL  72   2.746  -2.911  -4.725
  520   1HG2  VAL  72          1HG2      VAL  72   5.954  -1.383  -5.873
  521   2HG2  VAL  72          2HG2      VAL  72   5.272  -0.626  -7.337
  522   3HG2  VAL  72          3HG2      VAL  72   4.855  -0.009  -5.730
  523    H    THR  73           H        THR  73   6.491  -2.762  -7.353
  524    HA   THR  73           HA       THR  73   7.133  -5.311  -6.012
  525    HB   THR  73           HB       THR  73   8.156  -4.624  -8.810
  526    HG1  THR  73           HG1      THR  73   5.954  -6.034  -7.902
  527   1HG2  THR  73          1HG2      THR  73   9.742  -5.990  -7.453
  528   2HG2  THR  73          2HG2      THR  73   8.435  -7.150  -7.125
  529   3HG2  THR  73          3HG2      THR  73   9.031  -6.932  -8.777
  530    H    LEU  74           H        LEU  74   8.842  -4.996  -4.676
  531    HA   LEU  74           HA       LEU  74  10.364  -2.427  -4.958
  532   1HB   LEU  74          1HB       LEU  74   9.775  -3.995  -2.441
  533   2HB   LEU  74          2HB       LEU  74  10.589  -2.426  -2.599
  534    HG   LEU  74           HG       LEU  74   7.656  -2.993  -3.238
  535   1HD1  LEU  74          1HD1      LEU  74   8.932  -1.411  -0.972
  536   2HD1  LEU  74          2HD1      LEU  74   7.195  -1.626  -1.260
  537   3HD1  LEU  74          3HD1      LEU  74   8.197  -3.020  -0.819
  538   1HD2  LEU  74          1HD2      LEU  74   9.256  -0.396  -3.318
  539   2HD2  LEU  74          2HD2      LEU  74   8.454  -1.183  -4.691
  540   3HD2  LEU  74          3HD2      LEU  74   7.485  -0.492  -3.389
  541    H    ASP  75           H        ASP  75  12.239  -2.880  -5.902
  542    HA   ASP  75           HA       ASP  75  13.686  -5.396  -5.398
  543   1HB   ASP  75          1HB       ASP  75  13.599  -4.537  -7.668
  544   2HB   ASP  75          2HB       ASP  75  14.283  -2.982  -7.154
  545    H    THR  76           H        THR  76  14.149  -1.866  -4.806
  546    HA   THR  76           HA       THR  76  16.732  -2.196  -3.642
  547    HB   THR  76           HB       THR  76  14.814   0.135  -3.258
  548    HG1  THR  76           HG1      THR  76  16.377  -0.564  -5.515
  549   1HG2  THR  76          1HG2      THR  76  17.850  -0.008  -3.554
  550   2HG2  THR  76          2HG2      THR  76  16.880   1.468  -3.368
  551   3HG2  THR  76          3HG2      THR  76  16.961   0.294  -2.042
  552    H    LYS  77           H        LYS  77  17.215  -2.906  -1.665
  553    HA   LYS  77           HA       LYS  77  15.380  -3.733   0.307
  554   1HB   LYS  77          1HB       LYS  77  18.363  -3.083   0.367
  555   2HB   LYS  77          2HB       LYS  77  17.509  -3.749   1.765
  556   1HG   LYS  77          1HG       LYS  77  16.884  -5.731   0.582
  557   2HG   LYS  77          2HG       LYS  77  17.575  -5.123  -0.939
  558   1HD   LYS  77          1HD       LYS  77  19.829  -5.146   0.028
  559   2HD   LYS  77          2HD       LYS  77  19.190  -5.553   1.627
  560   1HE   LYS  77          1HE       LYS  77  20.157  -7.531   0.500
  561   2HE   LYS  77          2HE       LYS  77  18.431  -7.740   0.833
  562   1HZ   LYS  77          1HZ       LYS  77  17.947  -7.233  -1.411
  563   2HZ   LYS  77          2HZ       LYS  77  19.532  -6.913  -1.762
  564   3HZ   LYS  77          3HZ       LYS  77  19.063  -8.445  -1.371
  565    H    GLY  78           H        GLY  78  15.203  -3.053   2.510
  566   1HA   GLY  78          1HA       GLY  78  15.904  -1.114   4.041
  567   2HA   GLY  78          2HA       GLY  78  15.137  -0.073   2.832
  568    H    THR  79           H        THR  79  13.370   0.668   4.032
  569    HA   THR  79           HA       THR  79  11.243  -1.260   4.513
  570    HB   THR  79           HB       THR  79  12.330   0.642   6.649
  571    HG1  THR  79           HG1      THR  79  12.853  -1.944   6.007
  572   1HG2  THR  79          1HG2      THR  79   9.882   0.453   6.736
  573   2HG2  THR  79          2HG2      THR  79   9.993  -1.322   6.669
  574   3HG2  THR  79          3HG2      THR  79  10.611  -0.438   8.085
  575    OH   TYR  80           OH       TYR  80  12.368   0.027  -2.318
  576    H    TYR  80           H        TYR  80   9.335  -0.346   3.948
  577    HA   TYR  80           HA       TYR  80   9.368   2.528   3.142
  578   1HB   TYR  80          1HB       TYR  80   8.103   0.106   1.800
  579   2HB   TYR  80          2HB       TYR  80   7.829   1.767   1.332
  580    HD1  TYR  80           HD1      TYR  80  10.769  -0.590   1.846
  581    HD2  TYR  80           HD2      TYR  80   8.857   2.362  -0.652
  582    HE1  TYR  80           HE1      TYR  80  12.496  -0.918   0.147
  583    HE2  TYR  80           HE2      TYR  80  10.484   1.859  -2.444
  584    HH   TYR  80           HH       TYR  80  12.963  -0.688  -2.061
  585    H    SER  81           H        SER  81   7.736   3.694   4.045
  586    HA   SER  81           HA       SER  81   5.533   2.218   5.436
  587   1HB   SER  81          1HB       SER  81   6.283   5.137   5.630
  588   2HB   SER  81          2HB       SER  81   5.143   4.254   6.652
  589    HG   SER  81           HG       SER  81   7.917   3.657   6.387
  590    H    PHE  82           H        PHE  82   3.359   2.535   4.809
  591    HA   PHE  82           HA       PHE  82   2.846   4.447   2.635
  592   1HB   PHE  82          1HB       PHE  82   1.648   2.709   1.317
  593   2HB   PHE  82          2HB       PHE  82   3.341   2.442   1.411
  594    HD1  PHE  82           HD2      PHE  82   0.066   1.438   2.915
  595    HD2  PHE  82           HD1      PHE  82   4.175   0.223   2.241
  596    HE1  PHE  82           HE2      PHE  82  -0.347  -0.688   4.069
  597    HE2  PHE  82           HE1      PHE  82   3.675  -1.941   3.290
  598    HZ   PHE  82           HZ       PHE  82   1.456  -2.365   4.309
  599    OH   TYR  83           OH       TYR  83   0.911  10.605   1.632
  600    H    TYR  83           H        TYR  83   0.521   4.519   2.091
  601    HA   TYR  83           HA       TYR  83  -1.340   3.854   4.229
  602   1HB   TYR  83          1HB       TYR  83  -1.915   6.200   4.765
  603   2HB   TYR  83          2HB       TYR  83  -0.257   5.809   5.207
  604    HD1  TYR  83           HD1      TYR  83  -2.371   7.699   2.809
  605    HD2  TYR  83           HD2      TYR  83   1.648   6.869   4.127
  606    HE1  TYR  83           HE1      TYR  83  -1.566   9.728   1.635
  607    HE2  TYR  83           HE2      TYR  83   2.449   8.885   2.945
  608    HH   TYR  83           HH       TYR  83   1.859  10.741   1.702
  609    H    CYS  84           H        CYS  84  -3.517   4.718   3.824
  610    HA   CYS  84           HA       CYS  84  -4.174   4.821   0.885
  611   1HB   CYS  84          1HB       CYS  84  -5.286   2.953   1.947
  612   2HB   CYS  84          2HB       CYS  84  -5.606   3.917   3.398
  613    H    SER  85           H        SER  85  -4.311   6.990   0.268
  614    HA   SER  85           HA       SER  85  -4.438   8.965   2.179
  615   1HB   SER  85          1HB       SER  85  -5.412  10.426   0.127
  616   2HB   SER  85          2HB       SER  85  -3.716  10.041   0.406
  617    HG   SER  85           HG       SER  85  -4.579   9.589  -1.756
  618    HA   PRO  86           HA       PRO  86  -9.278   9.445   1.463
  619   1HB   PRO  86          1HB       PRO  86  -9.691   6.464   1.118
  620   2HB   PRO  86          2HB       PRO  86 -10.749   7.802   0.587
  621   1HG   PRO  86          1HG       PRO  86  -9.072   6.656  -1.208
  622   2HG   PRO  86          2HG       PRO  86  -9.186   8.441  -1.116
  623   1HD   PRO  86          1HD       PRO  86  -7.045   6.663   0.031
  624   2HD   PRO  86          2HD       PRO  86  -6.912   8.220  -0.824
  625    H    HIS  87           H        HIS  87  -7.412   7.061   3.342
  626    HA   HIS  87           HA       HIS  87  -9.198   7.646   5.659
  627   1HB   HIS  87          1HB       HIS  87  -8.203   4.895   4.909
  628   2HB   HIS  87          2HB       HIS  87  -9.146   5.305   6.335
  629    HD2  HIS  87           HD2      HIS  87 -11.684   6.563   5.623
  630    HE1  HIS  87           HE1      HIS  87 -12.175   3.905   2.345
  631    HE2  HIS  87           HE2      HIS  87 -13.358   5.518   3.905
  632    H    GLN  88           H        GLN  88  -6.293   8.418   4.619
  633    HA   GLN  88           HA       GLN  88  -4.532   7.208   6.475
  634   1HB   GLN  88          1HB       GLN  88  -3.003   8.909   5.917
  635   2HB   GLN  88          2HB       GLN  88  -3.861   8.424   4.463
  636   1HG   GLN  88          1HG       GLN  88  -5.319  10.509   4.755
  637   2HG   GLN  88          2HG       GLN  88  -4.208  11.010   6.039
  638   1HE2  GLN  88          1HE2      GLN  88  -1.442  11.549   3.744
  639   2HE2  GLN  88          2HE2      GLN  88  -1.765  10.936   5.355
  640    H    GLY  89           H        GLY  89  -6.626  10.068   6.704
  641   1HA   GLY  89          1HA       GLY  89  -5.854  11.029   9.248
  642   2HA   GLY  89          2HA       GLY  89  -7.456  11.213   8.512
  643    H    ALA  90           H        ALA  90  -7.842   8.231   8.320
  644    HA   ALA  90           HA       ALA  90  -8.786   7.780  11.084
  645   1HB   ALA  90          1HB       ALA  90 -10.106   6.000  10.091
  646   2HB   ALA  90          2HB       ALA  90 -10.333   7.494   9.163
  647   3HB   ALA  90          3HB       ALA  90  -9.285   6.202   8.533
  648    H    GLY  91           H        GLY  91  -5.828   7.428   9.812
  649   1HA   GLY  91          1HA       GLY  91  -4.070   6.221  10.572
  650   2HA   GLY  91          2HA       GLY  91  -5.140   5.246  11.582
  651    H    MET  92           H        MET  92  -5.928   5.414   8.105
  652    HA   MET  92           HA       MET  92  -5.289   2.563   7.949
  653   1HB   MET  92          1HB       MET  92  -7.310   3.497   6.876
  654   2HB   MET  92          2HB       MET  92  -6.259   4.328   5.700
  655   1HG   MET  92          1HG       MET  92  -5.391   2.226   4.888
  656   2HG   MET  92          2HG       MET  92  -6.044   1.345   6.256
  657   1HE   MET  92          1HE       MET  92  -7.704  -0.483   3.419
  658   2HE   MET  92          2HE       MET  92  -6.096   0.267   3.361
  659   3HE   MET  92          3HE       MET  92  -6.650  -0.539   4.843
  660    H    VAL  93           H        VAL  93  -3.090   2.856   8.486
  661    HA   VAL  93           HA       VAL  93  -1.298   3.526   6.205
  662    HB   VAL  93           HB       VAL  93   0.367   4.256   7.728
  663   1HG1  VAL  93          1HG1      VAL  93  -0.613   6.266   8.604
  664   2HG1  VAL  93          2HG1      VAL  93  -1.476   5.896   7.102
  665   3HG1  VAL  93          3HG1      VAL  93  -2.232   5.552   8.663
  666   1HG2  VAL  93          1HG2      VAL  93  -1.590   3.524   9.937
  667   2HG2  VAL  93          2HG2      VAL  93  -0.039   2.722   9.591
  668   3HG2  VAL  93          3HG2      VAL  93  -0.059   4.398  10.165
  669    H    GLY  94           H        GLY  94   0.892   2.319   6.465
  670   1HA   GLY  94          1HA       GLY  94   0.941  -0.123   7.944
  671   2HA   GLY  94          2HA       GLY  94   0.525  -0.444   6.253
  672    H    LYS  95           H        LYS  95   2.827  -1.567   6.884
  673    HA   LYS  95           HA       LYS  95   4.897   0.121   5.625
  674   1HB   LYS  95          1HB       LYS  95   5.316  -1.255   8.323
  675   2HB   LYS  95          2HB       LYS  95   6.558  -0.428   7.365
  676   1HG   LYS  95          1HG       LYS  95   5.238   1.711   7.617
  677   2HG   LYS  95          2HG       LYS  95   4.155   0.848   8.727
  678   1HD   LYS  95          1HD       LYS  95   6.019   0.401  10.256
  679   2HD   LYS  95          2HD       LYS  95   7.172   1.101   9.105
  680   1HE   LYS  95          1HE       LYS  95   6.669   2.699  10.892
  681   2HE   LYS  95          2HE       LYS  95   6.120   3.315   9.326
  682   1HZ   LYS  95          1HZ       LYS  95   4.418   2.012  11.339
  683   2HZ   LYS  95          2HZ       LYS  95   4.506   3.635  11.060
  684   3HZ   LYS  95          3HZ       LYS  95   3.908   2.636   9.898
  685    H    VAL  96           H        VAL  96   6.731  -1.088   4.847
  686    HA   VAL  96           HA       VAL  96   6.466  -4.013   4.913
  687    HB   VAL  96           HB       VAL  96   5.164  -3.576   3.066
  688   1HG1  VAL  96          1HG1      VAL  96   7.423  -2.024   1.737
  689   2HG1  VAL  96          2HG1      VAL  96   5.799  -2.303   1.091
  690   3HG1  VAL  96          3HG1      VAL  96   6.017  -1.234   2.485
  691   1HG2  VAL  96          1HG2      VAL  96   6.752  -5.443   2.885
  692   2HG2  VAL  96          2HG2      VAL  96   6.272  -4.749   1.321
  693   3HG2  VAL  96          3HG2      VAL  96   7.872  -4.381   1.989
  694    H    THR  97           H        THR  97   8.323  -4.920   5.265
  695    HA   THR  97           HA       THR  97  10.841  -3.365   5.099
  696    HB   THR  97           HB       THR  97  10.855  -6.243   5.870
  697    HG1  THR  97           HG1      THR  97   9.502  -4.267   7.367
  698   1HG2  THR  97          1HG2      THR  97  12.023  -3.821   7.251
  699   2HG2  THR  97          2HG2      THR  97  12.381  -5.527   7.568
  700   3HG2  THR  97          3HG2      THR  97  12.867  -4.800   6.027
  701    H    VAL  98           H        VAL  98  12.173  -3.534   3.234
  702    HA   VAL  98           HA       VAL  98  11.684  -5.854   1.406
  703    HB   VAL  98           HB       VAL  98  13.099  -3.230   0.869
  704   1HG1  VAL  98          1HG1      VAL  98  12.942  -4.030  -1.487
  705   2HG1  VAL  98          2HG1      VAL  98  13.860  -5.198  -0.522
  706   3HG1  VAL  98          3HG1      VAL  98  12.169  -5.524  -0.940
  707   1HG2  VAL  98          1HG2      VAL  98  10.311  -4.263   0.139
  708   2HG2  VAL  98          2HG2      VAL  98  10.662  -2.906   1.225
  709   3HG2  VAL  98          3HG2      VAL  98  11.061  -2.785  -0.488
  710    H    ASN  99           H        ASN  99  12.730  -7.399   2.446
  711    HA   ASN  99           HA       ASN  99  15.296  -6.946   3.797
  712   1HB   ASN  99          1HB       ASN  99  13.301  -8.212   4.723
  713   2HB   ASN  99          2HB       ASN  99  13.671  -9.508   3.570
  714   1HD2  ASN  99          1HD2      ASN  99  15.421  -9.784   7.039
  715   2HD2  ASN  99          2HD2      ASN  99  13.806  -9.230   6.672
   
  Start of MODEL           5
 Raw file had 715 H/Q atoms
  Start of MODEL    5
    1    H    LEU   1           H        LEU   1   3.132  -9.570  -2.245
    2    HA   LEU   1           HA       LEU   1   2.203 -11.776  -0.859
    3   1HB   LEU   1          1HB       LEU   1   2.810  -9.392   0.956
    4   2HB   LEU   1          2HB       LEU   1   1.585 -10.602   1.330
    5    HG   LEU   1           HG       LEU   1   3.350 -12.396   1.204
    6   1HD1  LEU   1          1HD1      LEU   1   5.161 -11.293  -0.014
    7   2HD1  LEU   1          2HD1      LEU   1   5.223  -9.984   1.188
    8   3HD1  LEU   1          3HD1      LEU   1   5.713 -11.631   1.626
    9   1HD2  LEU   1          1HD2      LEU   1   4.199 -11.880   3.470
   10   2HD2  LEU   1          2HD2      LEU   1   3.659 -10.197   3.288
   11   3HD2  LEU   1          3HD2      LEU   1   2.472 -11.515   3.321
   12    H    GLU   2           H        GLU   2  -0.095 -11.495  -0.247
   13    HA   GLU   2           HA       GLU   2  -1.432  -9.445  -1.919
   14   1HB   GLU   2          1HB       GLU   2  -1.909 -11.862  -2.289
   15   2HB   GLU   2          2HB       GLU   2  -2.615 -11.925  -0.657
   16   1HG   GLU   2          1HG       GLU   2  -4.206 -10.090  -1.339
   17   2HG   GLU   2          2HG       GLU   2  -3.519 -10.135  -2.972
   18    H    VAL   3           H        VAL   3  -1.435  -7.677  -0.658
   19    HA   VAL   3           HA       VAL   3  -2.162  -7.772   2.191
   20    HB   VAL   3           HB       VAL   3  -1.500  -5.414   0.396
   21   1HG1  VAL   3          1HG1      VAL   3  -1.005  -4.286   2.585
   22   2HG1  VAL   3          2HG1      VAL   3  -2.711  -4.744   2.443
   23   3HG1  VAL   3          3HG1      VAL   3  -1.607  -5.719   3.434
   24   1HG2  VAL   3          1HG2      VAL   3   0.432  -6.937   0.483
   25   2HG2  VAL   3          2HG2      VAL   3   0.734  -5.470   1.411
   26   3HG2  VAL   3          3HG2      VAL   3   0.334  -6.980   2.258
   27    H    LEU   4           H        LEU   4  -4.242  -7.638   2.839
   28    HA   LEU   4           HA       LEU   4  -6.333  -6.879   0.907
   29   1HB   LEU   4          1HB       LEU   4  -6.535  -7.738   3.805
   30   2HB   LEU   4          2HB       LEU   4  -7.871  -7.548   2.681
   31    HG   LEU   4           HG       LEU   4  -5.636  -9.616   2.528
   32   1HD1  LEU   4          1HD1      LEU   4  -8.643  -9.864   2.978
   33   2HD1  LEU   4          2HD1      LEU   4  -7.478 -11.204   2.921
   34   3HD1  LEU   4          3HD1      LEU   4  -7.393 -10.012   4.233
   35   1HD2  LEU   4          1HD2      LEU   4  -6.198  -9.038   0.229
   36   2HD2  LEU   4          2HD2      LEU   4  -6.972 -10.574   0.621
   37   3HD2  LEU   4          3HD2      LEU   4  -7.940  -9.085   0.595
   38    H    LEU   5           H        LEU   5  -7.013  -4.875   0.686
   39    HA   LEU   5           HA       LEU   5  -6.333  -2.759   2.623
   40   1HB   LEU   5          1HB       LEU   5  -7.862  -2.655   0.011
   41   2HB   LEU   5          2HB       LEU   5  -7.301  -1.272   0.942
   42    HG   LEU   5           HG       LEU   5  -5.481  -3.334  -0.395
   43   1HD1  LEU   5          1HD1      LEU   5  -6.386  -0.553  -1.252
   44   2HD1  LEU   5          2HD1      LEU   5  -5.042  -1.428  -1.997
   45   3HD1  LEU   5          3HD1      LEU   5  -6.672  -2.097  -2.088
   46   1HD2  LEU   5          1HD2      LEU   5  -4.950  -0.677   1.008
   47   2HD2  LEU   5          2HD2      LEU   5  -4.420  -2.301   1.515
   48   3HD2  LEU   5          3HD2      LEU   5  -3.754  -1.569   0.050
   49    H    GLY   6           H        GLY   6  -7.592  -3.058   4.431
   50   1HA   GLY   6          1HA       GLY   6  -9.517  -2.401   5.501
   51   2HA   GLY   6          2HA       GLY   6 -10.557  -2.864   4.143
   52    H    SER   7           H        SER   7 -10.829  -3.869   6.967
   53    HA   SER   7           HA       SER   7  -9.936  -6.659   6.798
   54   1HB   SER   7          1HB       SER   7 -10.906  -6.822   9.009
   55   2HB   SER   7          2HB       SER   7  -9.917  -5.362   8.947
   56    HG   SER   7           HG       SER   7 -12.303  -5.401   9.752
   57    H    GLY   8           H        GLY   8 -11.701  -8.208   7.364
   58   1HA   GLY   8          1HA       GLY   8 -13.591  -8.519   5.291
   59   2HA   GLY   8          2HA       GLY   8 -13.676  -9.360   6.851
   60    H    ASP   9           H        ASP   9 -14.006  -7.187   8.595
   61    HA   ASP   9           HA       ASP   9 -16.824  -6.547   8.147
   62   1HB   ASP   9          1HB       ASP   9 -16.853  -5.789  10.397
   63   2HB   ASP   9          2HB       ASP   9 -15.941  -7.300  10.360
   64    H    GLY  10           H        GLY  10 -14.370  -5.175   6.603
   65   1HA   GLY  10          1HA       GLY  10 -14.230  -3.202   5.518
   66   2HA   GLY  10          2HA       GLY  10 -15.740  -2.674   6.262
   67    H    SER  11           H        SER  11 -13.146  -3.643   8.499
   68    HA   SER  11           HA       SER  11 -13.036  -0.903   9.440
   69   1HB   SER  11          1HB       SER  11 -12.748  -2.788  10.979
   70   2HB   SER  11          2HB       SER  11 -11.176  -3.175  10.218
   71    HG   SER  11           HG       SER  11 -11.036  -1.779  12.084
   72    H    LEU  12           H        LEU  12 -11.441   0.564   9.125
   73    HA   LEU  12           HA       LEU  12 -10.054   0.447   6.581
   74   1HB   LEU  12          1HB       LEU  12 -10.112   2.554   8.778
   75   2HB   LEU  12          2HB       LEU  12  -9.565   2.805   7.119
   76    HG   LEU  12           HG       LEU  12 -12.430   2.052   7.896
   77   1HD1  LEU  12          1HD1      LEU  12 -11.158   4.705   7.153
   78   2HD1  LEU  12          2HD1      LEU  12 -12.912   4.414   7.245
   79   3HD1  LEU  12          3HD1      LEU  12 -11.904   4.267   8.695
   80   1HD2  LEU  12          1HD2      LEU  12 -12.013   1.227   5.697
   81   2HD2  LEU  12          2HD2      LEU  12 -12.878   2.755   5.508
   82   3HD2  LEU  12          3HD2      LEU  12 -11.120   2.690   5.244
   83    H    VAL  13           H        VAL  13  -8.784  -1.466   7.376
   84    HA   VAL  13           HA       VAL  13  -6.131  -0.460   8.312
   85    HB   VAL  13           HB       VAL  13  -5.838  -2.545   9.616
   86   1HG1  VAL  13          1HG1      VAL  13  -8.226  -0.900  10.559
   87   2HG1  VAL  13          2HG1      VAL  13  -7.115  -1.847  11.562
   88   3HG1  VAL  13          3HG1      VAL  13  -6.523  -0.414  10.707
   89   1HG2  VAL  13          1HG2      VAL  13  -7.763  -3.901  10.280
   90   2HG2  VAL  13          2HG2      VAL  13  -8.840  -2.956   9.242
   91   3HG2  VAL  13          3HG2      VAL  13  -7.571  -3.969   8.523
   92    H    PHE  14           H        PHE  14  -4.336  -1.548   7.494
   93    HA   PHE  14           HA       PHE  14  -4.754  -3.047   4.961
   94   1HB   PHE  14          1HB       PHE  14  -2.335  -1.863   6.393
   95   2HB   PHE  14          2HB       PHE  14  -2.184  -2.976   5.055
   96    HD1  PHE  14           HD1      PHE  14  -3.260   0.442   6.006
   97    HD2  PHE  14           HD2      PHE  14  -2.365  -2.274   2.776
   98    HE1  PHE  14           HE1      PHE  14  -2.960   2.347   4.438
   99    HE2  PHE  14           HE2      PHE  14  -1.963  -0.379   1.296
  100    HZ   PHE  14           HZ       PHE  14  -2.412   1.946   2.060
  101    H    VAL  15           H        VAL  15  -4.615  -5.308   5.002
  102    HA   VAL  15           HA       VAL  15  -3.464  -6.569   7.470
  103    HB   VAL  15           HB       VAL  15  -5.788  -7.583   5.840
  104   1HG1  VAL  15          1HG1      VAL  15  -4.550  -8.522   8.464
  105   2HG1  VAL  15          2HG1      VAL  15  -6.015  -9.181   7.707
  106   3HG1  VAL  15          3HG1      VAL  15  -4.450  -9.372   6.906
  107   1HG2  VAL  15          1HG2      VAL  15  -7.117  -7.045   7.877
  108   2HG2  VAL  15          2HG2      VAL  15  -5.713  -6.180   8.539
  109   3HG2  VAL  15          3HG2      VAL  15  -6.511  -5.606   7.055
  110    HA   PRO  16           HA       PRO  16  -1.597  -7.521   7.970
  111   1HB   PRO  16          1HB       PRO  16   1.078  -7.488   7.542
  112   2HB   PRO  16          2HB       PRO  16   0.127  -8.994   7.573
  113   1HG   PRO  16          1HG       PRO  16   0.959  -7.389   5.130
  114   2HG   PRO  16          2HG       PRO  16   1.184  -9.143   5.404
  115   1HD   PRO  16          1HD       PRO  16  -0.914  -8.185   3.983
  116   2HD   PRO  16          2HD       PRO  16  -1.147  -9.558   5.093
  117    H    SER  17           H        SER  17  -0.484  -5.702   9.013
  118    HA   SER  17           HA       SER  17  -0.729  -3.162   7.572
  119   1HB   SER  17          1HB       SER  17  -0.139  -2.386   9.955
  120   2HB   SER  17          2HB       SER  17  -1.662  -3.283   9.763
  121    HG   SER  17           HG       SER  17  -0.430  -4.128  11.507
  122    H    GLU  18           H        GLU  18   1.627  -4.696   9.693
  123    HA   GLU  18           HA       GLU  18   3.936  -3.457   8.257
  124   1HB   GLU  18          1HB       GLU  18   3.722  -2.987  10.650
  125   2HB   GLU  18          2HB       GLU  18   3.727  -4.725  11.008
  126   1HG   GLU  18          1HG       GLU  18   6.015  -4.943  10.156
  127   2HG   GLU  18          2HG       GLU  18   6.003  -3.269   9.584
  128    H    PHE  19           H        PHE  19   5.159  -4.818   6.935
  129    HA   PHE  19           HA       PHE  19   5.413  -7.652   7.676
  130   1HB   PHE  19          1HB       PHE  19   4.519  -8.599   5.689
  131   2HB   PHE  19          2HB       PHE  19   3.302  -7.574   6.395
  132    HD1  PHE  19           HD1      PHE  19   2.874  -5.243   5.396
  133    HD2  PHE  19           HD2      PHE  19   5.208  -8.291   3.404
  134    HE1  PHE  19           HE1      PHE  19   2.348  -4.237   3.196
  135    HE2  PHE  19           HE2      PHE  19   4.713  -7.239   1.224
  136    HZ   PHE  19           HZ       PHE  19   3.307  -5.191   1.124
  137    H    SER  20           H        SER  20   6.574  -8.725   5.477
  138    HA   SER  20           HA       SER  20   8.828  -7.001   4.735
  139   1HB   SER  20          1HB       SER  20   9.174  -9.776   5.959
  140   2HB   SER  20          2HB       SER  20  10.448  -8.613   5.561
  141    HG   SER  20           HG       SER  20   9.136  -7.225   7.164
  142    H    VAL  21           H        VAL  21   9.809  -7.684   2.711
  143    HA   VAL  21           HA       VAL  21   8.636 -10.030   1.420
  144    HB   VAL  21           HB       VAL  21   7.078  -8.178   1.044
  145   1HG1  VAL  21          1HG1      VAL  21   9.289  -6.754  -0.507
  146   2HG1  VAL  21          2HG1      VAL  21   7.629  -6.221  -0.223
  147   3HG1  VAL  21          3HG1      VAL  21   8.777  -6.289   1.126
  148   1HG2  VAL  21          1HG2      VAL  21   7.448  -9.938  -0.673
  149   2HG2  VAL  21          2HG2      VAL  21   6.906  -8.387  -1.351
  150   3HG2  VAL  21          3HG2      VAL  21   8.619  -8.848  -1.463
  151    HA   PRO  22           HA       PRO  22  12.883  -9.954  -0.024
  152   1HB   PRO  22          1HB       PRO  22  12.023 -11.696  -2.290
  153   2HB   PRO  22          2HB       PRO  22  13.294 -11.986  -1.078
  154   1HG   PRO  22          1HG       PRO  22  10.911 -13.319  -0.965
  155   2HG   PRO  22          2HG       PRO  22  11.704 -12.724   0.524
  156   1HD   PRO  22          1HD       PRO  22   9.460 -11.394  -1.025
  157   2HD   PRO  22          2HD       PRO  22   9.607 -11.747   0.720
  158    H    SER  23           H        SER  23  13.992  -8.595  -1.526
  159    HA   SER  23           HA       SER  23  12.788  -6.688  -3.100
  160   1HB   SER  23          1HB       SER  23  15.429  -8.154  -3.493
  161   2HB   SER  23          2HB       SER  23  14.998  -6.679  -4.364
  162    HG   SER  23           HG       SER  23  15.262  -5.526  -2.623
  163    H    GLY  24           H        GLY  24  11.671  -6.679  -5.000
  164   1HA   GLY  24          1HA       GLY  24  11.355  -7.219  -7.260
  165   2HA   GLY  24          2HA       GLY  24  12.238  -8.732  -7.082
  166    H    GLU  25           H        GLU  25  10.451  -9.320  -4.495
  167    HA   GLU  25           HA       GLU  25   8.431 -10.741  -6.016
  168   1HB   GLU  25          1HB       GLU  25   8.922 -10.379  -3.050
  169   2HB   GLU  25          2HB       GLU  25   7.688 -11.424  -3.740
  170   1HG   GLU  25          1HG       GLU  25  10.696 -11.676  -4.241
  171   2HG   GLU  25          2HG       GLU  25   9.745 -12.692  -3.147
  172    H    LYS  26           H        LYS  26   7.148  -9.355  -7.052
  173    HA   LYS  26           HA       LYS  26   6.096  -6.969  -6.468
  174   1HB   LYS  26          1HB       LYS  26   4.047  -7.787  -7.787
  175   2HB   LYS  26          2HB       LYS  26   5.626  -7.553  -8.523
  176   1HG   LYS  26          1HG       LYS  26   4.542  -9.482  -9.331
  177   2HG   LYS  26          2HG       LYS  26   6.074  -9.920  -8.599
  178   1HD   LYS  26          1HD       LYS  26   4.890 -10.801  -6.598
  179   2HD   LYS  26          2HD       LYS  26   3.345 -10.210  -7.231
  180   1HE   LYS  26          1HE       LYS  26   3.573 -12.621  -7.595
  181   2HE   LYS  26          2HE       LYS  26   3.525 -11.772  -9.149
  182   1HZ   LYS  26          1HZ       LYS  26   5.960 -12.707  -7.788
  183   2HZ   LYS  26          2HZ       LYS  26   5.229 -13.450  -9.063
  184   3HZ   LYS  26          3HZ       LYS  26   5.902 -11.961  -9.258
  185    H    ILE  27           H        ILE  27   4.789  -6.015  -5.060
  186    HA   ILE  27           HA       ILE  27   3.288  -7.611  -3.075
  187    HB   ILE  27           HB       ILE  27   3.620  -4.611  -3.375
  188   1HG1  ILE  27          1HG1      ILE  27   5.152  -6.443  -1.473
  189   2HG1  ILE  27          2HG1      ILE  27   5.822  -5.833  -2.992
  190   1HG2  ILE  27          1HG2      ILE  27   2.684  -6.304  -1.017
  191   2HG2  ILE  27          2HG2      ILE  27   2.856  -4.535  -1.025
  192   3HG2  ILE  27          3HG2      ILE  27   1.642  -5.290  -2.034
  193   1HD1  ILE  27          1HD1      ILE  27   5.433  -3.491  -2.228
  194   2HD1  ILE  27          2HD1      ILE  27   4.981  -4.122  -0.631
  195   3HD1  ILE  27          3HD1      ILE  27   6.606  -4.406  -1.269
  196    H    VAL  28           H        VAL  28   1.052  -7.709  -3.128
  197    HA   VAL  28           HA       VAL  28  -0.397  -6.281  -5.323
  198    HB   VAL  28           HB       VAL  28  -0.925  -9.021  -4.106
  199   1HG1  VAL  28          1HG1      VAL  28  -2.347  -7.505  -6.340
  200   2HG1  VAL  28          2HG1      VAL  28  -2.650  -9.195  -5.884
  201   3HG1  VAL  28          3HG1      VAL  28  -3.025  -7.897  -4.745
  202   1HG2  VAL  28          1HG2      VAL  28   1.023  -9.087  -5.607
  203   2HG2  VAL  28          2HG2      VAL  28  -0.369  -9.884  -6.350
  204   3HG2  VAL  28          3HG2      VAL  28   0.092  -8.252  -6.869
  205    H    PHE  29           H        PHE  29  -1.704  -4.754  -4.469
  206    HA   PHE  29           HA       PHE  29  -2.710  -5.008  -1.653
  207   1HB   PHE  29          1HB       PHE  29  -2.385  -2.619  -3.481
  208   2HB   PHE  29          2HB       PHE  29  -3.155  -2.594  -1.907
  209    HD1  PHE  29           HD1      PHE  29  -1.839  -3.079   0.182
  210    HD2  PHE  29           HD2      PHE  29   0.020  -2.502  -3.664
  211    HE1  PHE  29           HE1      PHE  29   0.291  -2.466   1.309
  212    HE2  PHE  29           HE2      PHE  29   2.160  -1.932  -2.516
  213    HZ   PHE  29           HZ       PHE  29   2.289  -1.898  -0.046
  214    H    LYS  30           H        LYS  30  -4.701  -5.973  -1.696
  215    HA   LYS  30           HA       LYS  30  -6.479  -5.595  -4.061
  216   1HB   LYS  30          1HB       LYS  30  -5.678  -7.857  -3.440
  217   2HB   LYS  30          2HB       LYS  30  -6.466  -7.680  -1.869
  218   1HG   LYS  30          1HG       LYS  30  -8.683  -7.488  -2.996
  219   2HG   LYS  30          2HG       LYS  30  -7.861  -7.574  -4.565
  220   1HD   LYS  30          1HD       LYS  30  -7.017  -9.850  -3.996
  221   2HD   LYS  30          2HD       LYS  30  -7.831  -9.749  -2.426
  222   1HE   LYS  30          1HE       LYS  30  -9.188 -11.055  -3.971
  223   2HE   LYS  30          2HE       LYS  30 -10.031  -9.546  -3.584
  224   1HZ   LYS  30          1HZ       LYS  30  -8.452 -10.059  -6.014
  225   2HZ   LYS  30          2HZ       LYS  30 -10.095 -10.058  -5.916
  226   3HZ   LYS  30          3HZ       LYS  30  -9.259  -8.659  -5.682
  227    H    ASN  31           H        ASN  31  -8.353  -4.466  -3.903
  228    HA   ASN  31           HA       ASN  31  -9.213  -3.214  -1.451
  229   1HB   ASN  31          1HB       ASN  31 -10.275  -3.432  -4.254
  230   2HB   ASN  31          2HB       ASN  31 -11.418  -3.093  -2.955
  231   1HD2  ASN  31          1HD2      ASN  31 -10.748   0.292  -3.598
  232   2HD2  ASN  31          2HD2      ASN  31 -11.813  -1.079  -3.928
  233    H    ASN  32           H        ASN  32  -9.938  -4.321   0.291
  234    HA   ASN  32           HA       ASN  32 -11.270  -6.900  -0.111
  235   1HB   ASN  32          1HB       ASN  32  -9.572  -6.507   1.634
  236   2HB   ASN  32          2HB       ASN  32 -10.671  -5.402   2.456
  237   1HD2  ASN  32          1HD2      ASN  32 -11.233  -8.479   4.275
  238   2HD2  ASN  32          2HD2      ASN  32 -10.121  -7.104   4.175
  239    H    ALA  33           H        ALA  33 -12.148  -4.135   1.934
  240    HA   ALA  33           HA       ALA  33 -14.963  -4.244   0.958
  241   1HB   ALA  33          1HB       ALA  33 -15.820  -4.545   3.272
  242   2HB   ALA  33          2HB       ALA  33 -14.885  -5.950   2.714
  243   3HB   ALA  33          3HB       ALA  33 -14.152  -4.790   3.835
  244    H    GLY  34           H        GLY  34 -12.945  -2.699   3.466
  245   1HA   GLY  34          1HA       GLY  34 -14.662  -0.410   3.718
  246   2HA   GLY  34          2HA       GLY  34 -13.025  -0.566   4.346
  247    H    PHE  35           H        PHE  35 -13.881  -0.696   0.867
  248    HA   PHE  35           HA       PHE  35 -11.950   1.382   0.203
  249   1HB   PHE  35          1HB       PHE  35 -12.470   0.806  -2.076
  250   2HB   PHE  35          2HB       PHE  35 -12.215  -0.592  -1.103
  251    HD1  PHE  35           HD2      PHE  35 -14.940   1.563  -2.512
  252    HD2  PHE  35           HD1      PHE  35 -13.774  -2.309  -1.005
  253    HE1  PHE  35           HE2      PHE  35 -17.222   0.688  -2.972
  254    HE2  PHE  35           HE1      PHE  35 -16.110  -3.101  -1.258
  255    HZ   PHE  35           HZ       PHE  35 -17.823  -1.627  -2.243
  256    HA   PRO  36           HA       PRO  36 -12.497   2.817  -2.195
  257   1HB   PRO  36          1HB       PRO  36 -12.143   5.710  -1.532
  258   2HB   PRO  36          2HB       PRO  36 -12.317   4.970  -3.149
  259   1HG   PRO  36          1HG       PRO  36 -14.414   6.258  -1.988
  260   2HG   PRO  36          2HG       PRO  36 -14.692   4.678  -2.783
  261   1HD   PRO  36          1HD       PRO  36 -14.231   5.200   0.178
  262   2HD   PRO  36          2HD       PRO  36 -15.533   4.259  -0.601
  263    H    HIS  37           H        HIS  37 -10.257   2.825  -2.518
  264    HA   HIS  37           HA       HIS  37  -8.549   3.701  -0.299
  265   1HB   HIS  37          1HB       HIS  37  -8.522   0.867  -1.407
  266   2HB   HIS  37          2HB       HIS  37  -7.407   1.486  -0.201
  267    HD2  HIS  37           HD2      HIS  37  -9.969  -0.906  -0.338
  268    HE1  HIS  37           HE1      HIS  37 -10.209   0.566   3.634
  269    HE2  HIS  37           HE2      HIS  37 -10.623  -1.452   2.093
  270    H    ASN  38           H        ASN  38  -6.211   3.225  -0.842
  271    HA   ASN  38           HA       ASN  38  -5.340   2.836  -3.479
  272   1HB   ASN  38          1HB       ASN  38  -4.632   5.003  -4.102
  273   2HB   ASN  38          2HB       ASN  38  -6.308   5.217  -3.651
  274   1HD2  ASN  38          1HD2      ASN  38  -4.044   7.886  -2.126
  275   2HD2  ASN  38          2HD2      ASN  38  -4.218   7.279  -3.768
  276    H    VAL  39           H        VAL  39  -2.772   3.535  -3.270
  277    HA   VAL  39           HA       VAL  39  -1.916   3.210  -0.443
  278    HB   VAL  39           HB       VAL  39  -0.914   1.472  -2.738
  279   1HG1  VAL  39          1HG1      VAL  39  -0.273   1.515   0.251
  280   2HG1  VAL  39          2HG1      VAL  39   0.337   0.340  -0.928
  281   3HG1  VAL  39          3HG1      VAL  39   0.822   2.030  -1.052
  282   1HG2  VAL  39          1HG2      VAL  39  -1.905  -0.377  -1.294
  283   2HG2  VAL  39          2HG2      VAL  39  -2.772   0.871  -0.394
  284   3HG2  VAL  39          3HG2      VAL  39  -3.094   0.630  -2.124
  285    H    VAL  40           H        VAL  40  -0.704   4.943  -0.073
  286    HA   VAL  40           HA       VAL  40   1.099   5.925  -2.224
  287    HB   VAL  40           HB       VAL  40  -0.334   7.524  -0.067
  288   1HG1  VAL  40          1HG1      VAL  40   1.890   8.470  -0.612
  289   2HG1  VAL  40          2HG1      VAL  40   1.511   8.392  -2.345
  290   3HG1  VAL  40          3HG1      VAL  40   0.607   9.487  -1.285
  291   1HG2  VAL  40          1HG2      VAL  40  -1.914   6.898  -1.793
  292   2HG2  VAL  40          2HG2      VAL  40  -1.468   8.590  -2.059
  293   3HG2  VAL  40          3HG2      VAL  40  -0.766   7.321  -3.083
  294    H    PHE  41           H        PHE  41   3.186   6.121  -1.660
  295    HA   PHE  41           HA       PHE  41   3.976   4.910   0.913
  296   1HB   PHE  41          1HB       PHE  41   5.413   5.537  -1.650
  297   2HB   PHE  41          2HB       PHE  41   6.273   5.068  -0.198
  298    HD1  PHE  41           HD1      PHE  41   5.868   2.895   0.931
  299    HD2  PHE  41           HD2      PHE  41   4.025   3.809  -2.835
  300    HE1  PHE  41           HE1      PHE  41   5.663   0.462   0.444
  301    HE2  PHE  41           HE2      PHE  41   3.590   1.397  -3.211
  302    HZ   PHE  41           HZ       PHE  41   4.463  -0.287  -1.601
  303    H    ASP  42           H        ASP  42   4.930   5.936   2.540
  304    HA   ASP  42           HA       ASP  42   4.724   8.825   2.730
  305   1HB   ASP  42          1HB       ASP  42   4.205   7.474   4.658
  306   2HB   ASP  42          2HB       ASP  42   5.752   6.615   4.521
  307    H    GLU  43           H        GLU  43   6.148   9.845   1.379
  308    HA   GLU  43           HA       GLU  43   8.704   9.208   0.633
  309   1HB   GLU  43          1HB       GLU  43   9.051  11.769   0.510
  310   2HB   GLU  43          2HB       GLU  43   7.858  10.972  -0.509
  311   1HG   GLU  43          1HG       GLU  43   7.007  13.078   0.358
  312   2HG   GLU  43          2HG       GLU  43   6.007  11.743   0.898
  313    H    ASP  44           H        ASP  44   7.822  10.542   3.792
  314    HA   ASP  44           HA       ASP  44  10.474  11.238   4.596
  315   1HB   ASP  44          1HB       ASP  44   8.463  12.136   5.672
  316   2HB   ASP  44          2HB       ASP  44   8.014  10.517   6.238
  317    H    GLU  45           H        GLU  45   8.854   8.093   4.460
  318    HA   GLU  45           HA       GLU  45  11.236   6.852   5.738
  319   1HB   GLU  45          1HB       GLU  45   9.220   7.205   7.311
  320   2HB   GLU  45          2HB       GLU  45   8.435   5.922   6.396
  321   1HG   GLU  45          1HG       GLU  45  11.075   5.767   7.932
  322   2HG   GLU  45          2HG       GLU  45   9.526   5.091   8.448
  323    H    ILE  46           H        ILE  46  11.754   6.635   3.452
  324    HA   ILE  46           HA       ILE  46  11.143   3.966   2.537
  325    HB   ILE  46           HB       ILE  46  10.852   4.761   0.171
  326   1HG1  ILE  46          1HG1      ILE  46  10.180   7.450   1.417
  327   2HG1  ILE  46          2HG1      ILE  46  11.637   7.095   0.476
  328   1HG2  ILE  46          1HG2      ILE  46   8.942   3.938   1.574
  329   2HG2  ILE  46          2HG2      ILE  46   8.512   5.625   1.893
  330   3HG2  ILE  46          3HG2      ILE  46   8.498   4.988   0.242
  331   1HD1  ILE  46          1HD1      ILE  46   8.764   7.107  -0.510
  332   2HD1  ILE  46          2HD1      ILE  46  10.126   8.108  -1.052
  333   3HD1  ILE  46          3HD1      ILE  46  10.093   6.375  -1.428
  334    HA   PRO  47           HA       PRO  47  15.486   4.540   1.960
  335   1HB   PRO  47          1HB       PRO  47  16.130   2.836  -0.132
  336   2HB   PRO  47          2HB       PRO  47  15.811   2.322   1.548
  337   1HG   PRO  47          1HG       PRO  47  13.929   2.273  -0.800
  338   2HG   PRO  47          2HG       PRO  47  14.162   1.042   0.488
  339   1HD   PRO  47          1HD       PRO  47  12.093   2.855   0.500
  340   2HD   PRO  47          2HD       PRO  47  12.842   2.246   2.002
  341    H    ALA  48           H        ALA  48  16.620   6.130   1.012
  342    HA   ALA  48           HA       ALA  48  15.535   7.938  -0.767
  343   1HB   ALA  48          1HB       ALA  48  18.484   7.371  -0.241
  344   2HB   ALA  48          2HB       ALA  48  17.823   8.862  -0.943
  345   3HB   ALA  48          3HB       ALA  48  17.426   8.424   0.729
  346    H    GLY  49           H        GLY  49  15.705   8.384  -2.941
  347   1HA   GLY  49          1HA       GLY  49  16.623   8.097  -5.124
  348   2HA   GLY  49          2HA       GLY  49  17.035   6.417  -4.763
  349    H    VAL  50           H        VAL  50  14.543   5.656  -3.488
  350    HA   VAL  50           HA       VAL  50  13.008   5.212  -5.930
  351    HB   VAL  50           HB       VAL  50  12.341   4.300  -3.108
  352   1HG1  VAL  50          1HG1      VAL  50  11.504   3.407  -5.917
  353   2HG1  VAL  50          2HG1      VAL  50  11.062   2.580  -4.416
  354   3HG1  VAL  50          3HG1      VAL  50  10.474   4.224  -4.723
  355   1HG2  VAL  50          1HG2      VAL  50  14.562   3.427  -3.683
  356   2HG2  VAL  50          2HG2      VAL  50  13.361   2.143  -3.856
  357   3HG2  VAL  50          3HG2      VAL  50  13.993   2.956  -5.301
  358    H    ASP  51           H        ASP  51  12.185   7.186  -6.549
  359    HA   ASP  51           HA       ASP  51  10.934   9.123  -4.942
  360   1HB   ASP  51          1HB       ASP  51  11.532   9.612  -7.228
  361   2HB   ASP  51          2HB       ASP  51  10.493   8.306  -7.821
  362    H    ALA  52           H        ALA  52   9.224   8.960  -3.688
  363    HA   ALA  52           HA       ALA  52   7.478   6.914  -3.233
  364   1HB   ALA  52          1HB       ALA  52   7.693   8.873  -1.783
  365   2HB   ALA  52          2HB       ALA  52   6.877   9.886  -2.991
  366   3HB   ALA  52          3HB       ALA  52   5.996   8.572  -2.189
  367    H    VAL  53           H        VAL  53   6.975   9.625  -5.528
  368    HA   VAL  53           HA       VAL  53   4.334   8.987  -6.270
  369    HB   VAL  53           HB       VAL  53   6.487  10.333  -7.947
  370   1HG1  VAL  53          1HG1      VAL  53   4.587   9.723  -9.364
  371   2HG1  VAL  53          2HG1      VAL  53   3.446  10.376  -8.168
  372   3HG1  VAL  53          3HG1      VAL  53   4.546  11.456  -9.048
  373   1HG2  VAL  53          1HG2      VAL  53   4.416  11.481  -6.018
  374   2HG2  VAL  53          2HG2      VAL  53   6.177  11.497  -5.782
  375   3HG2  VAL  53          3HG2      VAL  53   5.460  12.436  -7.090
  376    H    LYS  54           H        LYS  54   7.379   7.461  -7.327
  377    HA   LYS  54           HA       LYS  54   6.129   6.190  -9.646
  378   1HB   LYS  54          1HB       LYS  54   8.773   5.634  -8.236
  379   2HB   LYS  54          2HB       LYS  54   8.223   4.890  -9.743
  380   1HG   LYS  54          1HG       LYS  54   8.063   7.124 -10.811
  381   2HG   LYS  54          2HG       LYS  54   8.662   7.877  -9.327
  382   1HD   LYS  54          1HD       LYS  54  10.782   6.560  -9.523
  383   2HD   LYS  54          2HD       LYS  54  10.148   5.781 -10.979
  384   1HE   LYS  54          1HE       LYS  54  11.663   7.546 -11.649
  385   2HE   LYS  54          2HE       LYS  54  10.017   8.006 -12.111
  386   1HZ   LYS  54          1HZ       LYS  54   9.953   9.390 -10.127
  387   2HZ   LYS  54          2HZ       LYS  54  11.495   8.953  -9.751
  388   3HZ   LYS  54          3HZ       LYS  54  11.195   9.812 -11.121
  389    H    ILE  55           H        ILE  55   6.848   5.266  -6.296
  390    HA   ILE  55           HA       ILE  55   5.912   2.504  -6.667
  391    HB   ILE  55           HB       ILE  55   6.228   2.291  -4.282
  392   1HG1  ILE  55          1HG1      ILE  55   7.636   5.004  -4.533
  393   2HG1  ILE  55          2HG1      ILE  55   6.097   4.716  -3.684
  394   1HG2  ILE  55          1HG2      ILE  55   8.625   3.163  -5.929
  395   2HG2  ILE  55          2HG2      ILE  55   8.628   2.065  -4.528
  396   3HG2  ILE  55          3HG2      ILE  55   7.835   1.570  -6.017
  397   1HD1  ILE  55          1HD1      ILE  55   7.364   2.888  -2.425
  398   2HD1  ILE  55          2HD1      ILE  55   8.845   3.640  -3.062
  399   3HD1  ILE  55          3HD1      ILE  55   7.778   4.585  -2.014
  400    H    SER  56           H        SER  56   4.503   5.550  -5.602
  401    HA   SER  56           HA       SER  56   2.255   4.355  -4.224
  402   1HB   SER  56          1HB       SER  56   2.730   7.130  -5.334
  403   2HB   SER  56          2HB       SER  56   1.397   6.686  -4.268
  404    HG   SER  56           HG       SER  56   4.193   6.618  -3.760
  405    H    MET  57           H        MET  57   0.149   4.089  -4.858
  406    HA   MET  57           HA       MET  57  -0.398   3.496  -7.588
  407   1HB   MET  57          1HB       MET  57  -1.491   2.603  -5.447
  408   2HB   MET  57          2HB       MET  57  -2.427   4.092  -5.382
  409   1HG   MET  57          1HG       MET  57  -2.397   2.064  -7.650
  410   2HG   MET  57          2HG       MET  57  -3.628   2.155  -6.397
  411   1HE   MET  57          1HE       MET  57  -4.124   5.429  -6.355
  412   2HE   MET  57          2HE       MET  57  -5.362   4.137  -6.213
  413   3HE   MET  57          3HE       MET  57  -5.515   5.401  -7.450
  414    HA   PRO  58           HA       PRO  58  -0.722   7.706  -9.204
  415   1HB   PRO  58          1HB       PRO  58  -3.089   6.359 -10.553
  416   2HB   PRO  58          2HB       PRO  58  -2.022   7.631 -11.224
  417   1HG   PRO  58          1HG       PRO  58  -1.482   5.036 -11.758
  418   2HG   PRO  58          2HG       PRO  58  -0.145   6.109 -11.245
  419   1HD   PRO  58          1HD       PRO  58  -1.591   4.029  -9.639
  420   2HD   PRO  58          2HD       PRO  58   0.120   4.531  -9.574
  421    H    GLU  59           H        GLU  59  -1.234   8.976  -7.536
  422    HA   GLU  59           HA       GLU  59  -3.381   8.972  -5.815
  423   1HB   GLU  59          1HB       GLU  59  -1.685  11.349  -6.728
  424   2HB   GLU  59          2HB       GLU  59  -2.748  11.303  -5.324
  425   1HG   GLU  59          1HG       GLU  59  -0.699  10.882  -4.358
  426   2HG   GLU  59          2HG       GLU  59  -1.396   9.268  -4.503
  427    H    GLU  60           H        GLU  60  -3.349  10.273  -9.057
  428    HA   GLU  60           HA       GLU  60  -5.560  12.048  -8.794
  429   1HB   GLU  60          1HB       GLU  60  -3.772  11.615 -10.737
  430   2HB   GLU  60          2HB       GLU  60  -5.034  10.553 -11.372
  431   1HG   GLU  60          1HG       GLU  60  -5.311  13.526 -10.683
  432   2HG   GLU  60          2HG       GLU  60  -5.066  12.868 -12.304
  433    H    GLU  61           H        GLU  61  -5.323   8.543  -9.134
  434    HA   GLU  61           HA       GLU  61  -8.252   8.215  -9.471
  435   1HB   GLU  61          1HB       GLU  61  -5.869   6.324  -9.768
  436   2HB   GLU  61          2HB       GLU  61  -7.556   5.926 -10.095
  437   1HG   GLU  61          1HG       GLU  61  -7.611   7.662 -11.889
  438   2HG   GLU  61          2HG       GLU  61  -5.903   8.017 -11.590
  439    H    LEU  62           H        LEU  62  -9.046   6.197  -8.268
  440    HA   LEU  62           HA       LEU  62  -7.755   5.535  -5.712
  441   1HB   LEU  62          1HB       LEU  62 -10.529   6.778  -5.951
  442   2HB   LEU  62          2HB       LEU  62  -9.938   5.919  -4.527
  443    HG   LEU  62           HG       LEU  62  -8.757   8.519  -5.603
  444   1HD1  LEU  62          1HD1      LEU  62 -11.032   8.755  -4.698
  445   2HD1  LEU  62          2HD1      LEU  62 -10.530   7.924  -3.207
  446   3HD1  LEU  62          3HD1      LEU  62  -9.835   9.507  -3.626
  447   1HD2  LEU  62          1HD2      LEU  62  -7.622   8.572  -3.360
  448   2HD2  LEU  62          2HD2      LEU  62  -8.181   6.913  -3.059
  449   3HD2  LEU  62          3HD2      LEU  62  -7.035   7.259  -4.375
  450    H    LEU  63           H        LEU  63  -8.462   3.462  -5.087
  451    HA   LEU  63           HA       LEU  63  -9.906   1.836  -7.074
  452   1HB   LEU  63          1HB       LEU  63  -8.766   1.107  -4.357
  453   2HB   LEU  63          2HB       LEU  63  -9.329   0.000  -5.619
  454    HG   LEU  63           HG       LEU  63  -6.925   1.865  -5.870
  455   1HD1  LEU  63          1HD1      LEU  63  -7.134  -1.120  -5.307
  456   2HD1  LEU  63          2HD1      LEU  63  -5.626  -0.215  -5.565
  457   3HD1  LEU  63          3HD1      LEU  63  -6.631   0.129  -4.147
  458   1HD2  LEU  63          1HD2      LEU  63  -7.887  -0.446  -7.624
  459   2HD2  LEU  63          2HD2      LEU  63  -7.903   1.273  -8.082
  460   3HD2  LEU  63          3HD2      LEU  63  -6.363   0.437  -7.823
  461    H    ASN  64           H        ASN  64 -12.060   2.590  -6.976
  462    HA   ASN  64           HA       ASN  64 -13.417   2.746  -4.318
  463   1HB   ASN  64          1HB       ASN  64 -15.028   4.196  -5.372
  464   2HB   ASN  64          2HB       ASN  64 -13.390   4.799  -5.598
  465   1HD2  ASN  64          1HD2      ASN  64 -15.481   3.407  -8.898
  466   2HD2  ASN  64          2HD2      ASN  64 -15.884   2.799  -7.289
  467    H    ALA  65           H        ALA  65 -12.969   0.109  -5.550
  468    HA   ALA  65           HA       ALA  65 -15.759  -0.803  -5.481
  469   1HB   ALA  65          1HB       ALA  65 -13.894  -1.215  -7.867
  470   2HB   ALA  65          2HB       ALA  65 -15.391  -2.124  -7.626
  471   3HB   ALA  65          3HB       ALA  65 -15.451  -0.368  -7.876
  472    HA   PRO  66           HA       PRO  66 -13.563  -4.024  -3.345
  473   1HB   PRO  66          1HB       PRO  66 -15.116  -6.248  -3.640
  474   2HB   PRO  66          2HB       PRO  66 -15.648  -4.842  -2.688
  475   1HG   PRO  66          1HG       PRO  66 -16.329  -5.495  -5.567
  476   2HG   PRO  66          2HG       PRO  66 -17.458  -5.038  -4.257
  477   1HD   PRO  66          1HD       PRO  66 -16.532  -3.233  -6.071
  478   2HD   PRO  66          2HD       PRO  66 -16.788  -2.768  -4.373
  479    H    GLY  67           H        GLY  67 -12.319  -6.057  -3.700
  480   1HA   GLY  67          1HA       GLY  67 -11.292  -7.677  -4.929
  481   2HA   GLY  67          2HA       GLY  67 -12.300  -7.300  -6.324
  482    H    GLU  68           H        GLU  68 -11.596  -4.591  -6.735
  483    HA   GLU  68           HA       GLU  68  -9.557  -4.647  -8.500
  484   1HB   GLU  68          1HB       GLU  68 -10.062  -2.297  -6.626
  485   2HB   GLU  68          2HB       GLU  68  -9.309  -2.236  -8.227
  486   1HG   GLU  68          1HG       GLU  68 -12.217  -2.919  -7.607
  487   2HG   GLU  68          2HG       GLU  68 -11.588  -1.486  -8.416
  488    H    THR  69           H        THR  69  -7.439  -5.040  -8.567
  489    HA   THR  69           HA       THR  69  -5.823  -4.999  -6.085
  490    HB   THR  69           HB       THR  69  -4.359  -6.474  -7.586
  491    HG1  THR  69           HG1      THR  69  -5.414  -5.741  -9.522
  492   1HG2  THR  69          1HG2      THR  69  -5.698  -8.479  -7.282
  493   2HG2  THR  69          2HG2      THR  69  -5.835  -7.436  -5.853
  494   3HG2  THR  69          3HG2      THR  69  -7.165  -7.514  -7.038
  495    OH   TYR  70           OH       TYR  70   2.013   1.548  -7.452
  496    H    TYR  70           H        TYR  70  -4.102  -3.663  -5.936
  497    HA   TYR  70           HA       TYR  70  -3.013  -2.325  -8.386
  498   1HB   TYR  70          1HB       TYR  70  -3.660  -0.676  -6.710
  499   2HB   TYR  70          2HB       TYR  70  -2.880  -1.592  -5.433
  500    HD1  TYR  70           HD1      TYR  70  -1.801  -0.425  -8.875
  501    HD2  TYR  70           HD2      TYR  70  -0.984  -0.414  -4.634
  502    HE1  TYR  70           HE1      TYR  70   0.323   0.768  -9.280
  503    HE2  TYR  70           HE2      TYR  70   1.130   0.805  -5.054
  504    HH   TYR  70           HH       TYR  70   2.520   1.779  -6.665
  505    H    VAL  71           H        VAL  71  -0.732  -2.704  -8.776
  506    HA   VAL  71           HA       VAL  71   0.563  -4.668  -6.960
  507    HB   VAL  71           HB       VAL  71   0.703  -4.725  -9.996
  508   1HG1  VAL  71          1HG1      VAL  71   1.640  -6.650  -7.820
  509   2HG1  VAL  71          2HG1      VAL  71   1.724  -6.964  -9.567
  510   3HG1  VAL  71          3HG1      VAL  71   2.688  -5.661  -8.862
  511   1HG2  VAL  71          1HG2      VAL  71  -0.954  -6.436  -8.091
  512   2HG2  VAL  71          2HG2      VAL  71  -1.568  -5.388  -9.387
  513   3HG2  VAL  71          3HG2      VAL  71  -0.646  -6.836  -9.793
  514    H    VAL  72           H        VAL  72   2.739  -4.273  -6.546
  515    HA   VAL  72           HA       VAL  72   4.159  -2.279  -8.186
  516    HB   VAL  72           HB       VAL  72   3.026  -0.924  -6.481
  517   1HG1  VAL  72          1HG1      VAL  72   2.845  -2.605  -4.671
  518   2HG1  VAL  72          2HG1      VAL  72   4.602  -2.507  -4.408
  519   3HG1  VAL  72          3HG1      VAL  72   3.584  -1.087  -4.120
  520   1HG2  VAL  72          1HG2      VAL  72   4.976   0.273  -5.632
  521   2HG2  VAL  72          2HG2      VAL  72   6.027  -1.102  -5.986
  522   3HG2  VAL  72          3HG2      VAL  72   5.239  -0.218  -7.314
  523    H    THR  73           H        THR  73   6.402  -2.546  -8.119
  524    HA   THR  73           HA       THR  73   7.366  -5.021  -6.750
  525    HB   THR  73           HB       THR  73   8.419  -3.790  -9.323
  526    HG1  THR  73           HG1      THR  73   6.361  -5.664  -8.863
  527   1HG2  THR  73          1HG2      THR  73   9.319  -6.069  -9.648
  528   2HG2  THR  73          2HG2      THR  73   9.939  -5.359  -8.146
  529   3HG2  THR  73          3HG2      THR  73   8.638  -6.572  -8.089
  530    H    LEU  74           H        LEU  74   8.440  -4.329  -4.939
  531    HA   LEU  74           HA       LEU  74  10.180  -1.922  -5.117
  532   1HB   LEU  74          1HB       LEU  74   9.552  -3.657  -2.710
  533   2HB   LEU  74          2HB       LEU  74  10.377  -2.085  -2.762
  534    HG   LEU  74           HG       LEU  74   7.439  -2.608  -3.389
  535   1HD1  LEU  74          1HD1      LEU  74   8.088  -2.659  -0.968
  536   2HD1  LEU  74          2HD1      LEU  74   8.768  -1.032  -1.140
  537   3HD1  LEU  74          3HD1      LEU  74   7.028  -1.294  -1.365
  538   1HD2  LEU  74          1HD2      LEU  74   9.045  -0.019  -3.451
  539   2HD2  LEU  74          2HD2      LEU  74   8.215  -0.780  -4.826
  540   3HD2  LEU  74          3HD2      LEU  74   7.271  -0.107  -3.492
  541    H    ASP  75           H        ASP  75  12.317  -2.126  -5.377
  542    HA   ASP  75           HA       ASP  75  13.570  -4.851  -5.219
  543   1HB   ASP  75          1HB       ASP  75  14.123  -2.497  -7.062
  544   2HB   ASP  75          2HB       ASP  75  15.184  -3.903  -6.888
  545    H    THR  76           H        THR  76  14.209  -1.318  -4.673
  546    HA   THR  76           HA       THR  76  16.749  -1.757  -3.498
  547    HB   THR  76           HB       THR  76  14.829   0.534  -2.913
  548    HG1  THR  76           HG1      THR  76  16.457   0.137  -5.202
  549   1HG2  THR  76          1HG2      THR  76  16.975   0.593  -1.689
  550   2HG2  THR  76          2HG2      THR  76  17.864   0.441  -3.223
  551   3HG2  THR  76          3HG2      THR  76  16.881   1.884  -2.900
  552    H    LYS  77           H        LYS  77  17.151  -2.749  -1.597
  553    HA   LYS  77           HA       LYS  77  15.130  -3.581   0.222
  554   1HB   LYS  77          1HB       LYS  77  18.154  -3.388   0.549
  555   2HB   LYS  77          2HB       LYS  77  17.070  -4.264   1.643
  556   1HG   LYS  77          1HG       LYS  77  16.362  -5.755  -0.167
  557   2HG   LYS  77          2HG       LYS  77  17.374  -4.887  -1.334
  558   1HD   LYS  77          1HD       LYS  77  19.380  -5.442   0.158
  559   2HD   LYS  77          2HD       LYS  77  18.309  -6.541   1.043
  560   1HE   LYS  77          1HE       LYS  77  19.021  -6.645  -1.932
  561   2HE   LYS  77          2HE       LYS  77  19.572  -7.766  -0.677
  562   1HZ   LYS  77          1HZ       LYS  77  17.775  -8.674  -1.926
  563   2HZ   LYS  77          2HZ       LYS  77  17.270  -8.423  -0.379
  564   3HZ   LYS  77          3HZ       LYS  77  16.792  -7.399  -1.577
  565    H    GLY  78           H        GLY  78  14.776  -2.982   2.413
  566   1HA   GLY  78          1HA       GLY  78  15.705  -1.184   4.089
  567   2HA   GLY  78          2HA       GLY  78  15.054  -0.060   2.876
  568    H    THR  79           H        THR  79  13.538   0.688   4.489
  569    HA   THR  79           HA       THR  79  11.208  -1.111   4.898
  570    HB   THR  79           HB       THR  79  12.173   1.083   6.776
  571    HG1  THR  79           HG1      THR  79  12.658  -1.706   6.755
  572   1HG2  THR  79          1HG2      THR  79  10.198  -1.230   7.094
  573   2HG2  THR  79          2HG2      THR  79  10.653  -0.065   8.357
  574   3HG2  THR  79          3HG2      THR  79   9.769   0.486   6.921
  575    OH   TYR  80           OH       TYR  80  12.279   0.141  -2.257
  576    H    TYR  80           H        TYR  80   9.346  -0.272   4.135
  577    HA   TYR  80           HA       TYR  80   9.315   2.585   3.247
  578   1HB   TYR  80          1HB       TYR  80   8.126   0.117   1.941
  579   2HB   TYR  80          2HB       TYR  80   7.782   1.767   1.467
  580    HD1  TYR  80           HD2      TYR  80  10.768  -0.510   1.953
  581    HD2  TYR  80           HD1      TYR  80   8.791   2.441  -0.495
  582    HE1  TYR  80           HE2      TYR  80  12.433  -0.855   0.195
  583    HE2  TYR  80           HE1      TYR  80  10.376   1.954  -2.326
  584    HH   TYR  80           HH       TYR  80  12.927  -0.522  -1.995
  585    H    SER  81           H        SER  81   7.816   3.684   4.421
  586    HA   SER  81           HA       SER  81   5.539   2.179   5.624
  587   1HB   SER  81          1HB       SER  81   6.408   5.063   5.946
  588   2HB   SER  81          2HB       SER  81   5.046   4.287   6.774
  589    HG   SER  81           HG       SER  81   7.771   3.450   6.915
  590    H    PHE  82           H        PHE  82   3.348   2.564   5.013
  591    HA   PHE  82           HA       PHE  82   2.878   4.457   2.810
  592   1HB   PHE  82          1HB       PHE  82   1.658   2.735   1.505
  593   2HB   PHE  82          2HB       PHE  82   3.354   2.481   1.581
  594    HD1  PHE  82           HD1      PHE  82   0.123   1.437   3.155
  595    HD2  PHE  82           HD2      PHE  82   4.225   0.272   2.380
  596    HE1  PHE  82           HE1      PHE  82  -0.254  -0.724   4.266
  597    HE2  PHE  82           HE2      PHE  82   3.776  -1.902   3.415
  598    HZ   PHE  82           HZ       PHE  82   1.568  -2.388   4.437
  599    OH   TYR  83           OH       TYR  83   0.816  10.597   1.169
  600    H    TYR  83           H        TYR  83   0.622   4.681   2.303
  601    HA   TYR  83           HA       TYR  83  -1.256   4.134   4.496
  602   1HB   TYR  83          1HB       TYR  83  -1.734   6.486   4.902
  603   2HB   TYR  83          2HB       TYR  83  -0.047   6.140   5.253
  604    HD1  TYR  83           HD2      TYR  83   1.768   6.951   3.720
  605    HD2  TYR  83           HD1      TYR  83  -2.366   7.978   3.071
  606    HE1  TYR  83           HE2      TYR  83   2.457   8.834   2.275
  607    HE2  TYR  83           HE1      TYR  83  -1.660   9.937   1.715
  608    HH   TYR  83           HH       TYR  83   1.768  10.675   1.078
  609    H    CYS  84           H        CYS  84  -3.411   4.781   4.106
  610    HA   CYS  84           HA       CYS  84  -4.162   4.790   1.201
  611   1HB   CYS  84          1HB       CYS  84  -5.197   3.004   2.518
  612   2HB   CYS  84          2HB       CYS  84  -5.652   4.176   3.769
  613    H    SER  85           H        SER  85  -4.229   6.849   0.473
  614    HA   SER  85           HA       SER  85  -4.095   9.074   1.908
  615   1HB   SER  85          1HB       SER  85  -5.518   8.972  -0.763
  616   2HB   SER  85          2HB       SER  85  -4.635  10.334  -0.047
  617    HG   SER  85           HG       SER  85  -2.772   8.964  -0.051
  618    HA   PRO  86           HA       PRO  86  -8.680  10.172   2.288
  619   1HB   PRO  86          1HB       PRO  86 -10.698   8.433   1.735
  620   2HB   PRO  86          2HB       PRO  86  -9.876   9.380   0.466
  621   1HG   PRO  86          1HG       PRO  86  -9.245   6.537   1.322
  622   2HG   PRO  86          2HG       PRO  86  -9.602   7.117  -0.335
  623   1HD   PRO  86          1HD       PRO  86  -7.042   6.877   0.466
  624   2HD   PRO  86          2HD       PRO  86  -7.569   8.305  -0.459
  625    H    HIS  87           H        HIS  87  -7.180   7.385   3.647
  626    HA   HIS  87           HA       HIS  87  -9.001   7.571   6.024
  627   1HB   HIS  87          1HB       HIS  87  -7.917   5.055   4.773
  628   2HB   HIS  87          2HB       HIS  87  -8.837   5.138   6.276
  629    HD2  HIS  87           HD2      HIS  87 -11.336   6.811   5.614
  630    HE1  HIS  87           HE1      HIS  87 -12.075   3.966   2.546
  631    HE2  HIS  87           HE2      HIS  87 -13.119   5.758   4.020
  632    H    GLN  88           H        GLN  88  -5.882   8.120   5.022
  633    HA   GLN  88           HA       GLN  88  -4.288   6.846   6.912
  634   1HB   GLN  88          1HB       GLN  88  -2.710   8.616   6.513
  635   2HB   GLN  88          2HB       GLN  88  -3.533   8.199   5.010
  636   1HG   GLN  88          1HG       GLN  88  -5.075  10.218   5.449
  637   2HG   GLN  88          2HG       GLN  88  -3.937  10.672   6.730
  638   1HE2  GLN  88          1HE2      GLN  88  -3.077  11.579   2.904
  639   2HE2  GLN  88          2HE2      GLN  88  -4.636  10.897   3.392
  640    H    GLY  89           H        GLY  89  -6.270   9.784   7.259
  641   1HA   GLY  89          1HA       GLY  89  -5.545  10.570   9.870
  642   2HA   GLY  89          2HA       GLY  89  -7.102  10.885   9.083
  643    H    ALA  90           H        ALA  90  -7.658   7.932   8.751
  644    HA   ALA  90           HA       ALA  90  -8.728   7.439  11.463
  645   1HB   ALA  90          1HB       ALA  90 -10.219   7.323   9.483
  646   2HB   ALA  90          2HB       ALA  90  -9.225   6.001   8.825
  647   3HB   ALA  90          3HB       ALA  90 -10.108   5.778  10.347
  648    H    GLY  91           H        GLY  91  -5.752   6.984  10.275
  649   1HA   GLY  91          1HA       GLY  91  -4.096   5.668  11.095
  650   2HA   GLY  91          2HA       GLY  91  -5.265   4.626  11.910
  651    H    MET  92           H        MET  92  -5.958   5.118   8.477
  652    HA   MET  92           HA       MET  92  -5.251   2.318   8.071
  653   1HB   MET  92          1HB       MET  92  -7.282   3.309   7.071
  654   2HB   MET  92          2HB       MET  92  -6.250   4.252   5.978
  655   1HG   MET  92          1HG       MET  92  -5.330   2.231   5.004
  656   2HG   MET  92          2HG       MET  92  -5.972   1.241   6.306
  657   1HE   MET  92          1HE       MET  92  -5.951   0.321   3.377
  658   2HE   MET  92          2HE       MET  92  -6.476  -0.572   4.816
  659   3HE   MET  92          3HE       MET  92  -7.530  -0.491   3.395
  660    H    VAL  93           H        VAL  93  -3.058   2.483   8.591
  661    HA   VAL  93           HA       VAL  93  -1.298   3.217   6.320
  662    HB   VAL  93           HB       VAL  93   0.370   4.083   7.800
  663   1HG1  VAL  93          1HG1      VAL  93  -0.651   6.111   8.593
  664   2HG1  VAL  93          2HG1      VAL  93  -1.488   5.641   7.105
  665   3HG1  VAL  93          3HG1      VAL  93  -2.255   5.363   8.680
  666   1HG2  VAL  93          1HG2      VAL  93   0.053   2.643   9.764
  667   2HG2  VAL  93          2HG2      VAL  93   0.003   4.346  10.233
  668   3HG2  VAL  93          3HG2      VAL  93  -1.506   3.422  10.111
  669    H    GLY  94           H        GLY  94   0.905   2.112   6.536
  670   1HA   GLY  94          1HA       GLY  94   1.093  -0.278   8.116
  671   2HA   GLY  94          2HA       GLY  94   0.654  -0.656   6.445
  672    H    LYS  95           H        LYS  95   3.012  -1.677   6.969
  673    HA   LYS  95           HA       LYS  95   4.977   0.075   5.688
  674   1HB   LYS  95          1HB       LYS  95   5.563  -1.310   8.337
  675   2HB   LYS  95          2HB       LYS  95   6.691  -0.332   7.384
  676   1HG   LYS  95          1HG       LYS  95   5.130   1.647   7.775
  677   2HG   LYS  95          2HG       LYS  95   4.242   0.645   8.921
  678   1HD   LYS  95          1HD       LYS  95   7.189   1.436   9.056
  679   2HD   LYS  95          2HD       LYS  95   5.884   2.109  10.030
  680   1HE   LYS  95          1HE       LYS  95   6.938  -0.756  10.140
  681   2HE   LYS  95          2HE       LYS  95   7.144   0.504  11.359
  682   1HZ   LYS  95          1HZ       LYS  95   4.756   0.519  11.650
  683   2HZ   LYS  95          2HZ       LYS  95   4.594  -0.715  10.567
  684   3HZ   LYS  95          3HZ       LYS  95   5.407  -0.958  11.979
  685    H    VAL  96           H        VAL  96   6.708  -1.065   4.712
  686    HA   VAL  96           HA       VAL  96   6.530  -4.022   4.829
  687    HB   VAL  96           HB       VAL  96   5.213  -3.492   2.971
  688   1HG1  VAL  96          1HG1      VAL  96   6.112  -1.175   2.439
  689   2HG1  VAL  96          2HG1      VAL  96   7.522  -1.976   1.703
  690   3HG1  VAL  96          3HG1      VAL  96   5.906  -2.222   1.026
  691   1HG2  VAL  96          1HG2      VAL  96   7.910  -4.315   1.904
  692   2HG2  VAL  96          2HG2      VAL  96   6.791  -5.392   2.786
  693   3HG2  VAL  96          3HG2      VAL  96   6.306  -4.674   1.234
  694    H    THR  97           H        THR  97   8.373  -4.978   4.989
  695    HA   THR  97           HA       THR  97  10.888  -3.404   4.940
  696    HB   THR  97           HB       THR  97  10.608  -6.213   6.006
  697    HG1  THR  97           HG1      THR  97   8.935  -4.946   6.949
  698   1HG2  THR  97          1HG2      THR  97  12.368  -5.488   7.508
  699   2HG2  THR  97          2HG2      THR  97  12.862  -5.186   5.828
  700   3HG2  THR  97          3HG2      THR  97  12.308  -3.843   6.853
  701    H    VAL  98           H        VAL  98  11.666  -3.378   2.827
  702    HA   VAL  98           HA       VAL  98  11.413  -5.728   1.118
  703    HB   VAL  98           HB       VAL  98  12.834  -3.095   0.654
  704   1HG1  VAL  98          1HG1      VAL  98  12.688  -3.755  -1.734
  705   2HG1  VAL  98          2HG1      VAL  98  13.612  -4.969  -0.836
  706   3HG1  VAL  98          3HG1      VAL  98  11.927  -5.292  -1.277
  707   1HG2  VAL  98          1HG2      VAL  98  10.054  -4.108  -0.133
  708   2HG2  VAL  98          2HG2      VAL  98  10.383  -2.811   1.031
  709   3HG2  VAL  98          3HG2      VAL  98  10.790  -2.588  -0.668
  710    H    ASN  99           H        ASN  99  12.782  -7.393   1.395
  711    HA   ASN  99           HA       ASN  99  15.608  -6.913   2.283
  712   1HB   ASN  99          1HB       ASN  99  15.400  -8.579   4.011
  713   2HB   ASN  99          2HB       ASN  99  14.157  -7.355   4.290
  714   1HD2  ASN  99          1HD2      ASN  99  11.438  -9.605   3.515
  715   2HD2  ASN  99          2HD2      ASN  99  11.873  -7.896   3.558
   
  Start of MODEL           6
 Raw file had 715 H/Q atoms
  Start of MODEL    6
    1    H    LEU   1           H        LEU   1   2.238 -12.586  -3.358
    2    HA   LEU   1           HA       LEU   1   1.847 -12.775  -0.525
    3   1HB   LEU   1          1HB       LEU   1   4.219 -12.244  -0.567
    4   2HB   LEU   1          2HB       LEU   1   3.950 -10.927  -1.716
    5    HG   LEU   1           HG       LEU   1   2.675  -9.685   0.058
    6   1HD1  LEU   1          1HD1      LEU   1   2.917 -10.430   2.410
    7   2HD1  LEU   1          2HD1      LEU   1   1.968 -11.604   1.492
    8   3HD1  LEU   1          3HD1      LEU   1   3.671 -11.942   1.866
    9   1HD2  LEU   1          1HD2      LEU   1   4.697  -9.127   1.381
   10   2HD2  LEU   1          2HD2      LEU   1   5.518 -10.553   0.724
   11   3HD2  LEU   1          3HD2      LEU   1   5.028  -9.228  -0.357
   12    H    GLU   2           H        GLU   2   0.413 -11.096   0.156
   13    HA   GLU   2           HA       GLU   2  -0.480  -9.083  -1.758
   14   1HB   GLU   2          1HB       GLU   2  -2.808  -9.829  -1.736
   15   2HB   GLU   2          2HB       GLU   2  -1.767 -11.065  -2.457
   16   1HG   GLU   2          1HG       GLU   2  -1.788 -12.349  -0.333
   17   2HG   GLU   2          2HG       GLU   2  -2.845 -11.130   0.400
   18    H    VAL   3           H        VAL   3  -2.094  -7.658  -0.798
   19    HA   VAL   3           HA       VAL   3  -2.076  -7.573   2.165
   20    HB   VAL   3           HB       VAL   3  -1.539  -5.249   0.277
   21   1HG1  VAL   3          1HG1      VAL   3  -2.858  -4.557   2.229
   22   2HG1  VAL   3          2HG1      VAL   3  -1.741  -5.410   3.317
   23   3HG1  VAL   3          3HG1      VAL   3  -1.188  -3.987   2.414
   24   1HG2  VAL   3          1HG2      VAL   3   0.327  -6.572   2.288
   25   2HG2  VAL   3          2HG2      VAL   3   0.476  -6.653   0.519
   26   3HG2  VAL   3          3HG2      VAL   3   0.654  -5.103   1.345
   27    H    LEU   4           H        LEU   4  -4.188  -7.681   2.746
   28    HA   LEU   4           HA       LEU   4  -6.277  -7.018   0.767
   29   1HB   LEU   4          1HB       LEU   4  -6.534  -7.978   3.631
   30   2HB   LEU   4          2HB       LEU   4  -7.821  -7.831   2.453
   31    HG   LEU   4           HG       LEU   4  -5.490  -9.786   2.404
   32   1HD1  LEU   4          1HD1      LEU   4  -7.300 -11.450   2.524
   33   2HD1  LEU   4          2HD1      LEU   4  -7.438 -10.302   3.870
   34   3HD1  LEU   4          3HD1      LEU   4  -8.518 -10.157   2.466
   35   1HD2  LEU   4          1HD2      LEU   4  -5.794  -9.152   0.082
   36   2HD2  LEU   4          2HD2      LEU   4  -6.596 -10.706   0.325
   37   3HD2  LEU   4          3HD2      LEU   4  -7.568  -9.222   0.242
   38    H    LEU   5           H        LEU   5  -6.979  -5.020   0.538
   39    HA   LEU   5           HA       LEU   5  -6.596  -2.946   2.591
   40   1HB   LEU   5          1HB       LEU   5  -8.076  -2.796  -0.041
   41   2HB   LEU   5          2HB       LEU   5  -7.502  -1.460   0.954
   42    HG   LEU   5           HG       LEU   5  -5.683  -3.445  -0.493
   43   1HD1  LEU   5          1HD1      LEU   5  -5.265  -1.546  -2.036
   44   2HD1  LEU   5          2HD1      LEU   5  -6.944  -2.084  -2.090
   45   3HD1  LEU   5          3HD1      LEU   5  -6.511  -0.602  -1.206
   46   1HD2  LEU   5          1HD2      LEU   5  -3.962  -1.708   0.032
   47   2HD2  LEU   5          2HD2      LEU   5  -5.161  -0.857   1.028
   48   3HD2  LEU   5          3HD2      LEU   5  -4.630  -2.502   1.468
   49    H    GLY   6           H        GLY   6  -7.791  -4.007   4.250
   50   1HA   GLY   6          1HA       GLY   6  -9.921  -3.518   5.334
   51   2HA   GLY   6          2HA       GLY   6 -10.773  -4.168   3.921
   52    H    SER   7           H        SER   7 -10.945  -5.168   6.663
   53    HA   SER   7           HA       SER   7  -9.750  -7.905   6.383
   54   1HB   SER   7          1HB       SER   7  -9.899  -7.901   8.881
   55   2HB   SER   7          2HB       SER   7  -8.908  -6.601   8.174
   56    HG   SER   7           HG       SER   7 -11.566  -6.328   9.132
   57    H    GLY   8           H        GLY   8 -11.955  -7.308   5.011
   58   1HA   GLY   8          1HA       GLY   8 -13.935  -8.368   4.411
   59   2HA   GLY   8          2HA       GLY   8 -13.854  -9.330   5.895
   60    H    ASP   9           H        ASP   9 -13.982  -7.669   7.897
   61    HA   ASP   9           HA       ASP   9 -16.745  -6.820   7.943
   62   1HB   ASP   9          1HB       ASP   9 -16.415  -6.519  10.271
   63   2HB   ASP   9          2HB       ASP   9 -15.476  -7.947   9.825
   64    H    GLY  10           H        GLY  10 -15.185  -5.221   6.085
   65   1HA   GLY  10          1HA       GLY  10 -14.990  -3.067   5.379
   66   2HA   GLY  10          2HA       GLY  10 -16.237  -2.669   6.563
   67    H    SER  11           H        SER  11 -13.529  -3.889   8.257
   68    HA   SER  11           HA       SER  11 -13.037  -1.307   9.364
   69   1HB   SER  11          1HB       SER  11 -12.679  -3.352  10.638
   70   2HB   SER  11          2HB       SER  11 -11.277  -3.757   9.615
   71    HG   SER  11           HG       SER  11 -10.687  -2.651  11.546
   72    H    LEU  12           H        LEU  12 -11.471   0.166   9.042
   73    HA   LEU  12           HA       LEU  12 -10.233   0.253   6.401
   74   1HB   LEU  12          1HB       LEU  12 -10.181   2.200   8.756
   75   2HB   LEU  12          2HB       LEU  12  -9.727   2.568   7.092
   76    HG   LEU  12           HG       LEU  12 -12.542   1.808   8.039
   77   1HD1  LEU  12          1HD1      LEU  12 -11.873   3.994   8.855
   78   2HD1  LEU  12          2HD1      LEU  12 -11.338   4.478   7.236
   79   3HD1  LEU  12          3HD1      LEU  12 -13.061   4.171   7.552
   80   1HD2  LEU  12          1HD2      LEU  12 -12.254   1.080   5.744
   81   2HD2  LEU  12          2HD2      LEU  12 -13.198   2.571   5.739
   82   3HD2  LEU  12          3HD2      LEU  12 -11.475   2.614   5.305
   83    H    VAL  13           H        VAL  13  -8.998  -1.746   7.089
   84    HA   VAL  13           HA       VAL  13  -6.308  -0.857   8.066
   85    HB   VAL  13           HB       VAL  13  -6.053  -2.978   9.277
   86   1HG1  VAL  13          1HG1      VAL  13  -6.747  -0.907  10.454
   87   2HG1  VAL  13          2HG1      VAL  13  -8.450  -1.373  10.255
   88   3HG1  VAL  13          3HG1      VAL  13  -7.362  -2.377  11.229
   89   1HG2  VAL  13          1HG2      VAL  13  -7.728  -4.380   8.116
   90   2HG2  VAL  13          2HG2      VAL  13  -8.018  -4.346   9.859
   91   3HG2  VAL  13          3HG2      VAL  13  -9.038  -3.385   8.778
   92    H    PHE  14           H        PHE  14  -4.550  -1.756   7.186
   93    HA   PHE  14           HA       PHE  14  -4.824  -3.243   4.632
   94   1HB   PHE  14          1HB       PHE  14  -2.483  -2.027   6.177
   95   2HB   PHE  14          2HB       PHE  14  -2.288  -2.988   4.731
   96    HD1  PHE  14           HD2      PHE  14  -3.235   0.297   6.080
   97    HD2  PHE  14           HD1      PHE  14  -2.637  -2.063   2.519
   98    HE1  PHE  14           HE2      PHE  14  -2.913   2.342   4.730
   99    HE2  PHE  14           HE1      PHE  14  -2.373  -0.039   1.215
  100    HZ   PHE  14           HZ       PHE  14  -2.616   2.203   2.273
  101    H    VAL  15           H        VAL  15  -4.657  -5.533   4.762
  102    HA   VAL  15           HA       VAL  15  -3.411  -6.664   7.252
  103    HB   VAL  15           HB       VAL  15  -5.533  -7.958   5.552
  104   1HG1  VAL  15          1HG1      VAL  15  -4.366  -8.647   8.281
  105   2HG1  VAL  15          2HG1      VAL  15  -5.683  -9.506   7.460
  106   3HG1  VAL  15          3HG1      VAL  15  -4.057  -9.532   6.771
  107   1HG2  VAL  15          1HG2      VAL  15  -7.008  -7.525   7.491
  108   2HG2  VAL  15          2HG2      VAL  15  -5.773  -6.446   8.180
  109   3HG2  VAL  15          3HG2      VAL  15  -6.561  -6.044   6.632
  110    HA   PRO  16           HA       PRO  16  -1.521  -7.499   7.837
  111   1HB   PRO  16          1HB       PRO  16   1.155  -7.484   7.571
  112   2HB   PRO  16          2HB       PRO  16   0.206  -8.995   7.501
  113   1HG   PRO  16          1HG       PRO  16   1.164  -7.341   5.140
  114   2HG   PRO  16          2HG       PRO  16   1.407  -9.094   5.404
  115   1HD   PRO  16          1HD       PRO  16  -0.623  -8.122   3.880
  116   2HD   PRO  16          2HD       PRO  16  -0.889  -9.531   4.936
  117    H    SER  17           H        SER  17  -0.749  -5.587   8.912
  118    HA   SER  17           HA       SER  17  -0.885  -3.151   7.333
  119   1HB   SER  17          1HB       SER  17  -0.224  -3.279  10.281
  120   2HB   SER  17          2HB       SER  17  -1.133  -2.058   9.372
  121    HG   SER  17           HG       SER  17  -2.638  -3.941   8.966
  122    H    GLU  18           H        GLU  18   1.545  -4.857   9.296
  123    HA   GLU  18           HA       GLU  18   3.751  -3.317   8.025
  124   1HB   GLU  18          1HB       GLU  18   3.463  -2.653  10.369
  125   2HB   GLU  18          2HB       GLU  18   3.541  -4.349  10.886
  126   1HG   GLU  18          1HG       GLU  18   5.849  -4.537  10.154
  127   2HG   GLU  18          2HG       GLU  18   5.786  -2.970   9.341
  128    H    PHE  19           H        PHE  19   5.176  -4.735   6.956
  129    HA   PHE  19           HA       PHE  19   5.352  -7.534   7.769
  130   1HB   PHE  19          1HB       PHE  19   4.496  -8.458   5.674
  131   2HB   PHE  19          2HB       PHE  19   3.263  -7.538   6.489
  132    HD1  PHE  19           HD1      PHE  19   2.643  -5.192   5.639
  133    HD2  PHE  19           HD2      PHE  19   5.162  -7.915   3.425
  134    HE1  PHE  19           HE1      PHE  19   2.059  -4.043   3.542
  135    HE2  PHE  19           HE2      PHE  19   4.619  -6.700   1.334
  136    HZ   PHE  19           HZ       PHE  19   3.082  -4.752   1.391
  137    H    SER  20           H        SER  20   6.597  -8.734   5.815
  138    HA   SER  20           HA       SER  20   8.807  -7.019   4.904
  139   1HB   SER  20          1HB       SER  20  10.131  -9.253   5.293
  140   2HB   SER  20          2HB       SER  20   9.774  -8.227   6.694
  141    HG   SER  20           HG       SER  20   9.219 -10.422   7.079
  142    H    VAL  21           H        VAL  21   9.756  -7.694   2.874
  143    HA   VAL  21           HA       VAL  21   8.356  -9.812   1.402
  144    HB   VAL  21           HB       VAL  21   7.050  -7.833   0.975
  145   1HG1  VAL  21          1HG1      VAL  21   7.898  -5.838  -0.078
  146   2HG1  VAL  21          2HG1      VAL  21   8.825  -6.088   1.409
  147   3HG1  VAL  21          3HG1      VAL  21   9.535  -6.492  -0.170
  148   1HG2  VAL  21          1HG2      VAL  21   8.820  -8.440  -1.410
  149   2HG2  VAL  21          2HG2      VAL  21   7.476  -9.468  -0.858
  150   3HG2  VAL  21          3HG2      VAL  21   7.160  -7.825  -1.453
  151    HA   PRO  22           HA       PRO  22  12.698 -10.251   0.272
  152   1HB   PRO  22          1HB       PRO  22  11.749 -11.842  -2.072
  153   2HB   PRO  22          2HB       PRO  22  12.911 -12.306  -0.807
  154   1HG   PRO  22          1HG       PRO  22  10.385 -13.345  -0.829
  155   2HG   PRO  22          2HG       PRO  22  11.168 -12.869   0.703
  156   1HD   PRO  22          1HD       PRO  22   9.166 -11.260  -0.913
  157   2HD   PRO  22          2HD       PRO  22   9.204 -11.647   0.832
  158    H    SER  23           H        SER  23  13.976  -8.988  -1.050
  159    HA   SER  23           HA       SER  23  13.034  -6.894  -2.615
  160   1HB   SER  23          1HB       SER  23  15.666  -8.390  -2.946
  161   2HB   SER  23          2HB       SER  23  15.329  -6.744  -3.511
  162    HG   SER  23           HG       SER  23  15.053  -7.529  -0.795
  163    H    GLY  24           H        GLY  24  11.996  -6.790  -4.532
  164   1HA   GLY  24          1HA       GLY  24  11.897  -7.138  -6.858
  165   2HA   GLY  24          2HA       GLY  24  12.715  -8.689  -6.716
  166    H    GLU  25           H        GLU  25  10.595  -9.196  -4.275
  167    HA   GLU  25           HA       GLU  25   8.807 -10.636  -6.019
  168   1HB   GLU  25          1HB       GLU  25   8.904 -10.115  -3.035
  169   2HB   GLU  25          2HB       GLU  25   7.604 -11.037  -3.760
  170   1HG   GLU  25          1HG       GLU  25  10.559 -11.732  -4.047
  171   2HG   GLU  25          2HG       GLU  25   9.443 -12.486  -2.895
  172    H    LYS  26           H        LYS  26   6.421 -10.520  -5.726
  173    HA   LYS  26           HA       LYS  26   5.499  -7.795  -6.359
  174   1HB   LYS  26          1HB       LYS  26   4.315 -10.580  -6.668
  175   2HB   LYS  26          2HB       LYS  26   3.502  -9.083  -7.137
  176   1HG   LYS  26          1HG       LYS  26   5.309  -8.535  -8.712
  177   2HG   LYS  26          2HG       LYS  26   6.209  -9.983  -8.231
  178   1HD   LYS  26          1HD       LYS  26   4.342 -11.419  -9.032
  179   2HD   LYS  26          2HD       LYS  26   3.453  -9.968  -9.546
  180   1HE   LYS  26          1HE       LYS  26   5.301  -9.382 -11.101
  181   2HE   LYS  26          2HE       LYS  26   6.209 -10.811 -10.571
  182   1HZ   LYS  26          1HZ       LYS  26   5.040 -11.207 -12.597
  183   2HZ   LYS  26          2HZ       LYS  26   4.440 -12.174 -11.407
  184   3HZ   LYS  26          3HZ       LYS  26   3.591 -10.849 -11.900
  185    H    ILE  27           H        ILE  27   3.837  -6.792  -5.350
  186    HA   ILE  27           HA       ILE  27   2.705  -7.927  -2.840
  187    HB   ILE  27           HB       ILE  27   3.215  -4.997  -3.430
  188   1HG1  ILE  27          1HG1      ILE  27   4.926  -6.805  -1.662
  189   2HG1  ILE  27          2HG1      ILE  27   5.421  -6.155  -3.235
  190   1HG2  ILE  27          1HG2      ILE  27   2.680  -4.698  -1.051
  191   2HG2  ILE  27          2HG2      ILE  27   1.380  -5.572  -1.844
  192   3HG2  ILE  27          3HG2      ILE  27   2.550  -6.455  -0.839
  193   1HD1  ILE  27          1HD1      ILE  27   5.122  -3.835  -2.361
  194   2HD1  ILE  27          2HD1      ILE  27   4.870  -4.525  -0.741
  195   3HD1  ILE  27          3HD1      ILE  27   6.407  -4.774  -1.581
  196    H    VAL  28           H        VAL  28   0.562  -8.048  -3.067
  197    HA   VAL  28           HA       VAL  28  -0.836  -6.686  -5.341
  198    HB   VAL  28           HB       VAL  28  -1.461  -9.305  -3.933
  199   1HG1  VAL  28          1HG1      VAL  28  -3.102  -9.612  -5.774
  200   2HG1  VAL  28          2HG1      VAL  28  -3.514  -8.231  -4.752
  201   3HG1  VAL  28          3HG1      VAL  28  -2.756  -7.967  -6.335
  202   1HG2  VAL  28          1HG2      VAL  28  -0.331  -8.801  -6.709
  203   2HG2  VAL  28          2HG2      VAL  28   0.548  -9.526  -5.349
  204   3HG2  VAL  28          3HG2      VAL  28  -0.830 -10.371  -6.056
  205    H    PHE  29           H        PHE  29  -1.483  -4.787  -4.303
  206    HA   PHE  29           HA       PHE  29  -2.789  -4.901  -1.661
  207   1HB   PHE  29          1HB       PHE  29  -2.392  -2.672  -3.654
  208   2HB   PHE  29          2HB       PHE  29  -3.177  -2.485  -2.099
  209    HD1  PHE  29           HD1      PHE  29  -1.869  -2.816   0.034
  210    HD2  PHE  29           HD2      PHE  29   0.006  -2.689  -3.848
  211    HE1  PHE  29           HE1      PHE  29   0.292  -2.211   1.101
  212    HE2  PHE  29           HE2      PHE  29   2.189  -2.185  -2.746
  213    HZ   PHE  29           HZ       PHE  29   2.327  -1.915  -0.310
  214    H    LYS  30           H        LYS  30  -4.643  -6.123  -1.835
  215    HA   LYS  30           HA       LYS  30  -6.461  -5.829  -4.153
  216   1HB   LYS  30          1HB       LYS  30  -5.649  -8.029  -3.341
  217   2HB   LYS  30          2HB       LYS  30  -6.474  -7.742  -1.805
  218   1HG   LYS  30          1HG       LYS  30  -8.663  -7.674  -2.985
  219   2HG   LYS  30          2HG       LYS  30  -7.812  -7.862  -4.528
  220   1HD   LYS  30          1HD       LYS  30  -6.982 -10.079  -3.851
  221   2HD   LYS  30          2HD       LYS  30  -7.746  -9.899  -2.265
  222   1HE   LYS  30          1HE       LYS  30  -9.140 -11.292  -3.728
  223   2HE   LYS  30          2HE       LYS  30  -9.984  -9.785  -3.336
  224   1HZ   LYS  30          1HZ       LYS  30  -8.515 -10.323  -5.826
  225   2HZ   LYS  30          2HZ       LYS  30 -10.152 -10.345  -5.649
  226   3HZ   LYS  30          3HZ       LYS  30  -9.326  -8.933  -5.472
  227    H    ASN  31           H        ASN  31  -8.342  -4.663  -4.118
  228    HA   ASN  31           HA       ASN  31  -9.226  -3.332  -1.702
  229   1HB   ASN  31          1HB       ASN  31 -10.026  -3.384  -4.552
  230   2HB   ASN  31          2HB       ASN  31 -11.408  -3.330  -3.475
  231   1HD2  ASN  31          1HD2      ASN  31 -11.034   0.155  -3.850
  232   2HD2  ASN  31          2HD2      ASN  31 -11.804  -1.268  -4.539
  233    H    ASN  32           H        ASN  32  -9.589  -4.759  -0.073
  234    HA   ASN  32           HA       ASN  32 -11.295  -7.114  -0.420
  235   1HB   ASN  32          1HB       ASN  32  -9.451  -7.251   1.059
  236   2HB   ASN  32          2HB       ASN  32  -9.934  -5.846   1.968
  237   1HD2  ASN  32          1HD2      ASN  32 -11.658  -9.391   2.930
  238   2HD2  ASN  32          2HD2      ASN  32 -10.524  -9.284   1.602
  239    H    ALA  33           H        ALA  33 -11.456  -4.349   1.788
  240    HA   ALA  33           HA       ALA  33 -14.303  -3.851   1.249
  241   1HB   ALA  33          1HB       ALA  33 -14.381  -5.914   2.694
  242   2HB   ALA  33          2HB       ALA  33 -13.510  -5.018   3.956
  243   3HB   ALA  33          3HB       ALA  33 -15.137  -4.509   3.453
  244    H    GLY  34           H        GLY  34 -15.164  -2.125   2.825
  245   1HA   GLY  34          1HA       GLY  34 -14.914  -0.088   3.866
  246   2HA   GLY  34          2HA       GLY  34 -13.306  -0.600   4.401
  247    H    PHE  35           H        PHE  35 -13.893  -0.753   0.985
  248    HA   PHE  35           HA       PHE  35 -11.938   1.287   0.325
  249   1HB   PHE  35          1HB       PHE  35 -12.389   0.533  -1.978
  250   2HB   PHE  35          2HB       PHE  35 -12.051  -0.735  -0.868
  251    HD1  PHE  35           HD1      PHE  35 -14.841   1.025  -2.593
  252    HD2  PHE  35           HD2      PHE  35 -13.419  -2.604  -0.751
  253    HE1  PHE  35           HE1      PHE  35 -16.941  -0.141  -3.249
  254    HE2  PHE  35           HE2      PHE  35 -15.573  -3.725  -1.270
  255    HZ   PHE  35           HZ       PHE  35 -17.345  -2.490  -2.501
  256    HA   PRO  36           HA       PRO  36 -12.332   2.520  -2.176
  257   1HB   PRO  36          1HB       PRO  36 -11.721   5.070  -2.708
  258   2HB   PRO  36          2HB       PRO  36 -13.268   4.362  -3.200
  259   1HG   PRO  36          1HG       PRO  36 -12.806   5.958  -0.671
  260   2HG   PRO  36          2HG       PRO  36 -14.044   6.239  -1.938
  261   1HD   PRO  36          1HD       PRO  36 -14.639   4.770   0.264
  262   2HD   PRO  36          2HD       PRO  36 -15.222   4.237  -1.338
  263    H    HIS  37           H        HIS  37 -10.079   2.761  -2.472
  264    HA   HIS  37           HA       HIS  37  -8.517   3.817  -0.222
  265   1HB   HIS  37          1HB       HIS  37  -8.285   0.949  -1.217
  266   2HB   HIS  37          2HB       HIS  37  -7.271   1.669   0.025
  267    HD2  HIS  37           HD2      HIS  37  -9.775  -0.820  -0.216
  268    HE1  HIS  37           HE1      HIS  37 -10.356   0.725   3.679
  269    HE2  HIS  37           HE2      HIS  37 -10.710  -1.279   2.150
  270    H    ASN  38           H        ASN  38  -6.114   3.534  -0.674
  271    HA   ASN  38           HA       ASN  38  -5.231   3.093  -3.329
  272   1HB   ASN  38          1HB       ASN  38  -4.463   5.274  -3.893
  273   2HB   ASN  38          2HB       ASN  38  -6.182   5.436  -3.545
  274   1HD2  ASN  38          1HD2      ASN  38  -4.618   8.340  -1.951
  275   2HD2  ASN  38          2HD2      ASN  38  -5.062   7.796  -3.573
  276    H    VAL  39           H        VAL  39  -2.698   3.792  -3.151
  277    HA   VAL  39           HA       VAL  39  -1.751   3.321  -0.368
  278    HB   VAL  39           HB       VAL  39  -0.727   1.796  -2.804
  279   1HG1  VAL  39          1HG1      VAL  39  -0.227   1.447   0.186
  280   2HG1  VAL  39          2HG1      VAL  39   0.492   0.497  -1.128
  281   3HG1  VAL  39          3HG1      VAL  39   0.906   2.205  -0.952
  282   1HG2  VAL  39          1HG2      VAL  39  -2.906   0.878  -2.417
  283   2HG2  VAL  39          2HG2      VAL  39  -1.767  -0.201  -1.604
  284   3HG2  VAL  39          3HG2      VAL  39  -2.710   0.956  -0.658
  285    H    VAL  40           H        VAL  40  -0.761   5.245  -0.029
  286    HA   VAL  40           HA       VAL  40   1.033   6.320  -2.160
  287    HB   VAL  40           HB       VAL  40  -0.346   7.781   0.128
  288   1HG1  VAL  40          1HG1      VAL  40   1.374   8.773  -2.200
  289   2HG1  VAL  40          2HG1      VAL  40   0.490   9.814  -1.070
  290   3HG1  VAL  40          3HG1      VAL  40   1.820   8.807  -0.482
  291   1HG2  VAL  40          1HG2      VAL  40  -1.620   8.914  -1.717
  292   2HG2  VAL  40          2HG2      VAL  40  -0.935   7.746  -2.860
  293   3HG2  VAL  40          3HG2      VAL  40  -2.011   7.194  -1.561
  294    H    PHE  41           H        PHE  41   3.179   6.465  -1.629
  295    HA   PHE  41           HA       PHE  41   4.002   5.375   1.003
  296   1HB   PHE  41          1HB       PHE  41   5.418   5.765  -1.627
  297   2HB   PHE  41          2HB       PHE  41   6.254   5.357  -0.147
  298    HD1  PHE  41           HD1      PHE  41   3.640   4.120  -2.489
  299    HD2  PHE  41           HD2      PHE  41   6.239   3.180   0.783
  300    HE1  PHE  41           HE1      PHE  41   3.043   1.713  -2.720
  301    HE2  PHE  41           HE2      PHE  41   5.826   0.746   0.421
  302    HZ   PHE  41           HZ       PHE  41   4.174   0.018  -1.293
  303    H    ASP  42           H        ASP  42   5.211   6.525   2.460
  304    HA   ASP  42           HA       ASP  42   5.132   9.437   2.257
  305   1HB   ASP  42          1HB       ASP  42   4.845   8.305   4.407
  306   2HB   ASP  42          2HB       ASP  42   6.445   7.569   4.254
  307    H    GLU  43           H        GLU  43   6.458  10.360   0.799
  308    HA   GLU  43           HA       GLU  43   8.600   9.355  -0.517
  309   1HB   GLU  43          1HB       GLU  43   9.195  11.693  -1.062
  310   2HB   GLU  43          2HB       GLU  43   7.477  11.320  -1.251
  311   1HG   GLU  43          1HG       GLU  43   6.978  12.435   0.924
  312   2HG   GLU  43          2HG       GLU  43   8.702  12.782   1.136
  313    H    ASP  44           H        ASP  44   8.859  10.673   2.753
  314    HA   ASP  44           HA       ASP  44  11.807  10.742   2.591
  315   1HB   ASP  44          1HB       ASP  44  10.686  12.455   3.901
  316   2HB   ASP  44          2HB       ASP  44   9.876  11.231   4.892
  317    H    GLU  45           H        GLU  45   9.267   8.876   4.287
  318    HA   GLU  45           HA       GLU  45  11.201   7.044   5.476
  319   1HB   GLU  45          1HB       GLU  45   8.188   7.018   5.466
  320   2HB   GLU  45          2HB       GLU  45   9.233   6.025   6.492
  321   1HG   GLU  45          1HG       GLU  45  10.114   8.031   7.599
  322   2HG   GLU  45          2HG       GLU  45   9.142   9.085   6.571
  323    H    ILE  46           H        ILE  46  11.813   6.777   3.008
  324    HA   ILE  46           HA       ILE  46  11.221   4.009   2.354
  325    HB   ILE  46           HB       ILE  46  10.887   4.531  -0.071
  326   1HG1  ILE  46          1HG1      ILE  46  10.310   7.368   0.844
  327   2HG1  ILE  46          2HG1      ILE  46  11.779   6.879  -0.004
  328   1HG2  ILE  46          1HG2      ILE  46   8.974   3.967   1.459
  329   2HG2  ILE  46          2HG2      ILE  46   8.623   5.692   1.579
  330   3HG2  ILE  46          3HG2      ILE  46   8.542   4.873   0.016
  331   1HD1  ILE  46          1HD1      ILE  46   8.957   6.813  -1.111
  332   2HD1  ILE  46          2HD1      ILE  46  10.333   7.800  -1.636
  333   3HD1  ILE  46          3HD1      ILE  46  10.355   6.050  -1.907
  334    HA   PRO  47           HA       PRO  47  15.558   4.180   1.587
  335   1HB   PRO  47          1HB       PRO  47  15.085   2.876  -1.094
  336   2HB   PRO  47          2HB       PRO  47  16.282   2.451   0.161
  337   1HG   PRO  47          1HG       PRO  47  14.028   1.000  -0.093
  338   2HG   PRO  47          2HG       PRO  47  14.569   1.497   1.535
  339   1HD   PRO  47          1HD       PRO  47  12.424   2.812  -0.154
  340   2HD   PRO  47          2HD       PRO  47  12.400   2.356   1.576
  341    H    ALA  48           H        ALA  48  16.438   6.141   1.177
  342    HA   ALA  48           HA       ALA  48  15.545   8.090  -0.583
  343   1HB   ALA  48          1HB       ALA  48  18.360   7.667   0.500
  344   2HB   ALA  48          2HB       ALA  48  17.731   9.169  -0.211
  345   3HB   ALA  48          3HB       ALA  48  17.035   8.545   1.300
  346    H    GLY  49           H        GLY  49  15.312   7.826  -2.709
  347   1HA   GLY  49          1HA       GLY  49  16.848   7.987  -4.780
  348   2HA   GLY  49          2HA       GLY  49  17.334   6.340  -4.336
  349    H    VAL  50           H        VAL  50  14.584   5.673  -3.252
  350    HA   VAL  50           HA       VAL  50  13.523   4.755  -5.799
  351    HB   VAL  50           HB       VAL  50  12.391   4.548  -2.981
  352   1HG1  VAL  50          1HG1      VAL  50  11.061   2.662  -4.049
  353   2HG1  VAL  50          2HG1      VAL  50  10.586   4.269  -4.610
  354   3HG1  VAL  50          3HG1      VAL  50  11.611   3.234  -5.626
  355   1HG2  VAL  50          1HG2      VAL  50  13.240   2.269  -3.042
  356   2HG2  VAL  50          2HG2      VAL  50  13.872   2.496  -4.689
  357   3HG2  VAL  50          3HG2      VAL  50  14.593   3.373  -3.327
  358    H    ASP  51           H        ASP  51  12.202   5.899  -7.091
  359    HA   ASP  51           HA       ASP  51  11.155   8.463  -6.394
  360   1HB   ASP  51          1HB       ASP  51  11.659   7.971  -8.694
  361   2HB   ASP  51          2HB       ASP  51  10.583   6.561  -8.693
  362    H    ALA  52           H        ALA  52   9.687   8.590  -4.781
  363    HA   ALA  52           HA       ALA  52   7.862   6.759  -3.846
  364   1HB   ALA  52          1HB       ALA  52   6.656   8.579  -2.840
  365   2HB   ALA  52          2HB       ALA  52   8.403   8.883  -2.746
  366   3HB   ALA  52          3HB       ALA  52   7.418   9.757  -3.941
  367    H    VAL  53           H        VAL  53   7.449   9.022  -6.587
  368    HA   VAL  53           HA       VAL  53   4.666   8.606  -6.966
  369    HB   VAL  53           HB       VAL  53   6.758   9.390  -9.035
  370   1HG1  VAL  53          1HG1      VAL  53   4.648   8.803 -10.122
  371   2HG1  VAL  53          2HG1      VAL  53   3.740   9.790  -8.956
  372   3HG1  VAL  53          3HG1      VAL  53   4.839  10.556 -10.120
  373   1HG2  VAL  53          1HG2      VAL  53   5.079  11.096  -7.137
  374   2HG2  VAL  53          2HG2      VAL  53   6.848  10.929  -7.098
  375   3HG2  VAL  53          3HG2      VAL  53   6.073  11.720  -8.469
  376    H    LYS  54           H        LYS  54   7.449   6.567  -7.906
  377    HA   LYS  54           HA       LYS  54   5.841   5.132  -9.870
  378   1HB   LYS  54          1HB       LYS  54   7.684   4.101 -10.539
  379   2HB   LYS  54          2HB       LYS  54   8.425   5.485  -9.772
  380   1HG   LYS  54          1HG       LYS  54   9.745   3.710  -9.156
  381   2HG   LYS  54          2HG       LYS  54   8.789   3.964  -7.699
  382   1HD   LYS  54          1HD       LYS  54   7.539   1.940  -8.071
  383   2HD   LYS  54          2HD       LYS  54   7.877   1.952  -9.802
  384   1HE   LYS  54          1HE       LYS  54   9.107   0.165  -8.657
  385   2HE   LYS  54          2HE       LYS  54  10.206   1.331  -9.410
  386   1HZ   LYS  54          1HZ       LYS  54  10.465   2.348  -7.241
  387   2HZ   LYS  54          2HZ       LYS  54   9.488   1.204  -6.565
  388   3HZ   LYS  54          3HZ       LYS  54  10.927   0.766  -7.233
  389    H    ILE  55           H        ILE  55   6.623   4.767  -6.473
  390    HA   ILE  55           HA       ILE  55   5.396   2.090  -6.260
  391    HB   ILE  55           HB       ILE  55   5.859   2.250  -3.923
  392   1HG1  ILE  55          1HG1      ILE  55   7.392   4.780  -4.684
  393   2HG1  ILE  55          2HG1      ILE  55   5.933   4.716  -3.659
  394   1HG2  ILE  55          1HG2      ILE  55   8.290   2.708  -5.669
  395   2HG2  ILE  55          2HG2      ILE  55   8.181   1.746  -4.182
  396   3HG2  ILE  55          3HG2      ILE  55   7.358   1.188  -5.634
  397   1HD1  ILE  55          1HD1      ILE  55   7.734   4.737  -2.143
  398   2HD1  ILE  55          2HD1      ILE  55   7.245   3.016  -2.273
  399   3HD1  ILE  55          3HD1      ILE  55   8.686   3.607  -3.130
  400    H    SER  56           H        SER  56   4.518   5.461  -5.624
  401    HA   SER  56           HA       SER  56   2.152   4.757  -4.071
  402   1HB   SER  56          1HB       SER  56   3.111   7.401  -5.192
  403   2HB   SER  56          2HB       SER  56   1.820   7.194  -4.015
  404    HG   SER  56           HG       SER  56   4.590   6.678  -3.771
  405    H    MET  57           H        MET  57   0.074   4.663  -4.725
  406    HA   MET  57           HA       MET  57  -0.695   4.916  -7.515
  407   1HB   MET  57          1HB       MET  57  -2.162   4.784  -4.851
  408   2HB   MET  57          2HB       MET  57  -3.041   5.099  -6.341
  409   1HG   MET  57          1HG       MET  57  -1.245   2.689  -5.934
  410   2HG   MET  57          2HG       MET  57  -2.983   2.667  -5.633
  411   1HE   MET  57          1HE       MET  57  -4.837   2.874  -7.453
  412   2HE   MET  57          2HE       MET  57  -4.516   3.015  -9.195
  413   3HE   MET  57          3HE       MET  57  -4.186   4.391  -8.128
  414    HA   PRO  58           HA       PRO  58  -0.539   9.443  -7.390
  415   1HB   PRO  58          1HB       PRO  58  -2.953   9.209  -9.209
  416   2HB   PRO  58          2HB       PRO  58  -1.542  10.293  -9.368
  417   1HG   PRO  58          1HG       PRO  58  -1.694   8.030 -10.857
  418   2HG   PRO  58          2HG       PRO  58  -0.152   8.454 -10.053
  419   1HD   PRO  58          1HD       PRO  58  -2.227   6.441  -9.141
  420   2HD   PRO  58          2HD       PRO  58  -0.440   6.318  -9.185
  421    H    GLU  59           H        GLU  59  -1.263  10.340  -5.519
  422    HA   GLU  59           HA       GLU  59  -3.149   9.592  -3.815
  423   1HB   GLU  59          1HB       GLU  59  -3.043  11.746  -2.770
  424   2HB   GLU  59          2HB       GLU  59  -1.455  11.283  -3.374
  425   1HG   GLU  59          1HG       GLU  59  -3.347  13.371  -4.545
  426   2HG   GLU  59          2HG       GLU  59  -1.785  13.637  -3.777
  427    H    GLU  60           H        GLU  60  -3.930  11.797  -6.471
  428    HA   GLU  60           HA       GLU  60  -6.566  12.415  -5.706
  429   1HB   GLU  60          1HB       GLU  60  -5.112  13.585  -7.405
  430   2HB   GLU  60          2HB       GLU  60  -5.329  12.206  -8.493
  431   1HG   GLU  60          1HG       GLU  60  -6.795  14.034  -9.111
  432   2HG   GLU  60          2HG       GLU  60  -7.751  12.645  -8.584
  433    H    GLU  61           H        GLU  61  -5.253   9.664  -7.511
  434    HA   GLU  61           HA       GLU  61  -7.873   8.638  -8.263
  435   1HB   GLU  61          1HB       GLU  61  -5.066   7.461  -8.520
  436   2HB   GLU  61          2HB       GLU  61  -6.533   6.858  -9.293
  437   1HG   GLU  61          1HG       GLU  61  -5.222   9.564  -9.799
  438   2HG   GLU  61          2HG       GLU  61  -5.210   8.176 -10.890
  439    H    LEU  62           H        LEU  62  -8.647   6.580  -7.645
  440    HA   LEU  62           HA       LEU  62  -7.535   5.272  -5.310
  441   1HB   LEU  62          1HB       LEU  62  -9.249   5.604  -3.801
  442   2HB   LEU  62          2HB       LEU  62  -8.576   7.153  -4.280
  443    HG   LEU  62           HG       LEU  62 -11.293   5.981  -4.982
  444   1HD1  LEU  62          1HD1      LEU  62 -10.360   8.558  -3.660
  445   2HD1  LEU  62          2HD1      LEU  62 -12.027   7.919  -3.680
  446   3HD1  LEU  62          3HD1      LEU  62 -10.742   7.082  -2.769
  447   1HD2  LEU  62          1HD2      LEU  62 -10.020   8.514  -6.126
  448   2HD2  LEU  62          2HD2      LEU  62 -10.657   7.124  -7.045
  449   3HD2  LEU  62          3HD2      LEU  62 -11.758   8.161  -6.145
  450    H    LEU  63           H        LEU  63  -8.296   3.271  -4.965
  451    HA   LEU  63           HA       LEU  63  -9.590   1.828  -7.127
  452   1HB   LEU  63          1HB       LEU  63  -8.793   0.959  -4.334
  453   2HB   LEU  63          2HB       LEU  63  -9.167  -0.094  -5.707
  454    HG   LEU  63           HG       LEU  63  -6.800   1.843  -5.603
  455   1HD1  LEU  63          1HD1      LEU  63  -5.472  -0.172  -5.120
  456   2HD1  LEU  63          2HD1      LEU  63  -6.670   0.140  -3.848
  457   3HD1  LEU  63          3HD1      LEU  63  -6.969  -1.135  -5.049
  458   1HD2  LEU  63          1HD2      LEU  63  -7.326  -0.546  -7.429
  459   2HD2  LEU  63          2HD2      LEU  63  -7.513   1.155  -7.925
  460   3HD2  LEU  63          3HD2      LEU  63  -5.922   0.525  -7.464
  461    H    ASN  64           H        ASN  64 -11.771   2.489  -7.235
  462    HA   ASN  64           HA       ASN  64 -13.323   2.798  -4.732
  463   1HB   ASN  64          1HB       ASN  64 -13.186   4.465  -6.777
  464   2HB   ASN  64          2HB       ASN  64 -14.445   3.426  -7.448
  465   1HD2  ASN  64          1HD2      ASN  64 -16.653   4.338  -4.535
  466   2HD2  ASN  64          2HD2      ASN  64 -16.053   2.824  -5.194
  467    H    ALA  65           H        ALA  65 -13.023   0.481  -7.345
  468    HA   ALA  65           HA       ALA  65 -15.684  -0.682  -6.732
  469   1HB   ALA  65          1HB       ALA  65 -15.068  -0.456  -9.086
  470   2HB   ALA  65          2HB       ALA  65 -13.590  -1.397  -8.823
  471   3HB   ALA  65          3HB       ALA  65 -15.161  -2.172  -8.653
  472    HA   PRO  66           HA       PRO  66 -13.851  -3.675  -3.997
  473   1HB   PRO  66          1HB       PRO  66 -15.360  -5.946  -4.414
  474   2HB   PRO  66          2HB       PRO  66 -15.993  -4.504  -3.580
  475   1HG   PRO  66          1HG       PRO  66 -16.323  -5.226  -6.500
  476   2HG   PRO  66          2HG       PRO  66 -17.600  -4.745  -5.340
  477   1HD   PRO  66          1HD       PRO  66 -16.518  -2.950  -7.035
  478   2HD   PRO  66          2HD       PRO  66 -16.844  -2.475  -5.346
  479    H    GLY  67           H        GLY  67 -12.539  -5.691  -4.010
  480   1HA   GLY  67          1HA       GLY  67 -11.334  -7.374  -4.937
  481   2HA   GLY  67          2HA       GLY  67 -12.079  -7.095  -6.512
  482    H    GLU  68           H        GLU  68 -11.404  -4.569  -7.155
  483    HA   GLU  68           HA       GLU  68  -9.287  -4.457  -8.601
  484   1HB   GLU  68          1HB       GLU  68  -9.881  -2.216  -6.638
  485   2HB   GLU  68          2HB       GLU  68  -8.811  -2.103  -8.046
  486   1HG   GLU  68          1HG       GLU  68 -10.746  -2.827  -9.505
  487   2HG   GLU  68          2HG       GLU  68 -11.794  -2.633  -8.092
  488    H    THR  69           H        THR  69  -7.316  -5.307  -8.554
  489    HA   THR  69           HA       THR  69  -5.695  -5.249  -6.094
  490    HB   THR  69           HB       THR  69  -4.319  -6.828  -7.556
  491    HG1  THR  69           HG1      THR  69  -5.315  -6.112  -9.503
  492   1HG2  THR  69          1HG2      THR  69  -5.804  -7.612  -5.780
  493   2HG2  THR  69          2HG2      THR  69  -7.186  -7.625  -6.908
  494   3HG2  THR  69          3HG2      THR  69  -5.821  -8.738  -7.157
  495    OH   TYR  70           OH       TYR  70   2.080   1.223  -7.098
  496    H    TYR  70           H        TYR  70  -4.257  -3.709  -5.897
  497    HA   TYR  70           HA       TYR  70  -2.984  -2.487  -8.313
  498   1HB   TYR  70          1HB       TYR  70  -3.733  -0.812  -6.799
  499   2HB   TYR  70          2HB       TYR  70  -3.085  -1.647  -5.406
  500    HD1  TYR  70           HD2      TYR  70  -1.662  -0.680  -8.778
  501    HD2  TYR  70           HD1      TYR  70  -1.269  -0.420  -4.484
  502    HE1  TYR  70           HE2      TYR  70   0.550   0.380  -9.040
  503    HE2  TYR  70           HE1      TYR  70   0.919   0.705  -4.763
  504    HH   TYR  70           HH       TYR  70   2.444   1.586  -6.284
  505    H    VAL  71           H        VAL  71  -1.400  -3.833  -9.003
  506    HA   VAL  71           HA       VAL  71   0.175  -5.367  -7.050
  507    HB   VAL  71           HB       VAL  71   0.240  -5.534 -10.078
  508   1HG1  VAL  71          1HG1      VAL  71   1.185  -7.364  -7.821
  509   2HG1  VAL  71          2HG1      VAL  71   1.177  -7.807  -9.543
  510   3HG1  VAL  71          3HG1      VAL  71   2.216  -6.495  -8.973
  511   1HG2  VAL  71          1HG2      VAL  71  -1.421  -7.099  -8.058
  512   2HG2  VAL  71          2HG2      VAL  71  -2.043  -6.065  -9.360
  513   3HG2  VAL  71          3HG2      VAL  71  -1.199  -7.563  -9.757
  514    H    VAL  72           H        VAL  72   2.326  -4.906  -6.597
  515    HA   VAL  72           HA       VAL  72   3.897  -3.238  -8.419
  516    HB   VAL  72           HB       VAL  72   2.657  -1.591  -7.080
  517   1HG1  VAL  72          1HG1      VAL  72   3.047  -1.310  -4.688
  518   2HG1  VAL  72          2HG1      VAL  72   2.313  -2.892  -5.011
  519   3HG1  VAL  72          3HG1      VAL  72   4.046  -2.774  -4.636
  520   1HG2  VAL  72          1HG2      VAL  72   4.969  -1.077  -7.859
  521   2HG2  VAL  72          2HG2      VAL  72   4.474  -0.193  -6.407
  522   3HG2  VAL  72          3HG2      VAL  72   5.583  -1.559  -6.257
  523    H    THR  73           H        THR  73   6.194  -3.173  -7.709
  524    HA   THR  73           HA       THR  73   7.001  -5.378  -5.897
  525    HB   THR  73           HB       THR  73   7.557  -5.016  -8.849
  526    HG1  THR  73           HG1      THR  73   7.442  -7.234  -7.096
  527   1HG2  THR  73          1HG2      THR  73   9.624  -6.104  -6.899
  528   2HG2  THR  73          2HG2      THR  73   9.601  -6.450  -8.638
  529   3HG2  THR  73          3HG2      THR  73   9.828  -4.789  -8.081
  530    H    LEU  74           H        LEU  74   8.841  -4.948  -4.758
  531    HA   LEU  74           HA       LEU  74  10.072  -2.236  -5.065
  532   1HB   LEU  74          1HB       LEU  74   9.710  -3.838  -2.524
  533   2HB   LEU  74          2HB       LEU  74  10.366  -2.198  -2.714
  534    HG   LEU  74           HG       LEU  74   7.473  -3.023  -3.258
  535   1HD1  LEU  74          1HD1      LEU  74   6.974  -1.718  -1.236
  536   2HD1  LEU  74          2HD1      LEU  74   8.073  -3.058  -0.861
  537   3HD1  LEU  74          3HD1      LEU  74   8.704  -1.401  -0.993
  538   1HD2  LEU  74          1HD2      LEU  74   8.851  -0.305  -3.302
  539   2HD2  LEU  74          2HD2      LEU  74   8.092  -1.115  -4.685
  540   3HD2  LEU  74          3HD2      LEU  74   7.090  -0.546  -3.348
  541    H    ASP  75           H        ASP  75  12.133  -2.398  -5.714
  542    HA   ASP  75           HA       ASP  75  13.566  -4.979  -5.525
  543   1HB   ASP  75          1HB       ASP  75  14.979  -4.157  -7.210
  544   2HB   ASP  75          2HB       ASP  75  13.330  -3.770  -7.707
  545    H    THR  76           H        THR  76  13.897  -1.581  -4.537
  546    HA   THR  76           HA       THR  76  16.560  -1.937  -3.463
  547    HB   THR  76           HB       THR  76  14.598   0.350  -3.054
  548    HG1  THR  76           HG1      THR  76  14.996  -0.097  -5.284
  549   1HG2  THR  76          1HG2      THR  76  17.645   0.225  -2.930
  550   2HG2  THR  76          2HG2      THR  76  16.662   1.694  -2.798
  551   3HG2  THR  76          3HG2      THR  76  16.557   0.449  -1.541
  552    H    LYS  77           H        LYS  77  17.084  -2.677  -1.491
  553    HA   LYS  77           HA       LYS  77  15.172  -3.681   0.356
  554   1HB   LYS  77          1HB       LYS  77  18.152  -3.104   0.583
  555   2HB   LYS  77          2HB       LYS  77  17.225  -3.973   1.817
  556   1HG   LYS  77          1HG       LYS  77  16.637  -5.723   0.285
  557   2HG   LYS  77          2HG       LYS  77  17.389  -4.896  -1.088
  558   1HD   LYS  77          1HD       LYS  77  19.600  -4.999   0.163
  559   2HD   LYS  77          2HD       LYS  77  18.807  -6.016   1.376
  560   1HE   LYS  77          1HE       LYS  77  19.127  -6.628  -1.607
  561   2HE   LYS  77          2HE       LYS  77  20.022  -7.385  -0.280
  562   1HZ   LYS  77          1HZ       LYS  77  18.245  -8.760  -1.006
  563   2HZ   LYS  77          2HZ       LYS  77  17.933  -8.252   0.530
  564   3HZ   LYS  77          3HZ       LYS  77  17.128  -7.577  -0.752
  565    H    GLY  78           H        GLY  78  14.818  -3.062   2.558
  566   1HA   GLY  78          1HA       GLY  78  15.429  -1.389   4.321
  567   2HA   GLY  78          2HA       GLY  78  15.140  -0.116   3.134
  568    H    THR  79           H        THR  79  13.730   0.316   5.242
  569    HA   THR  79           HA       THR  79  11.131  -1.016   5.181
  570    HB   THR  79           HB       THR  79  12.133   1.152   7.051
  571    HG1  THR  79           HG1      THR  79  12.715  -0.639   8.380
  572   1HG2  THR  79          1HG2      THR  79   9.682   0.671   7.098
  573   2HG2  THR  79          2HG2      THR  79  10.031  -1.054   7.350
  574   3HG2  THR  79          3HG2      THR  79  10.475   0.138   8.589
  575    OH   TYR  80           OH       TYR  80  12.085  -0.112  -2.207
  576    H    TYR  80           H        TYR  80   9.480  -0.138   4.217
  577    HA   TYR  80           HA       TYR  80   9.497   2.705   3.276
  578   1HB   TYR  80          1HB       TYR  80   8.142   0.218   2.205
  579   2HB   TYR  80          2HB       TYR  80   7.803   1.837   1.640
  580    HD1  TYR  80           HD2      TYR  80  10.766  -0.451   2.105
  581    HD2  TYR  80           HD1      TYR  80   8.665   2.298  -0.454
  582    HE1  TYR  80           HE2      TYR  80  12.364  -0.918   0.307
  583    HE2  TYR  80           HE1      TYR  80  10.115   1.634  -2.332
  584    HH   TYR  80           HH       TYR  80  12.713  -0.788  -1.931
  585    H    SER  81           H        SER  81   7.793   3.971   3.980
  586    HA   SER  81           HA       SER  81   5.608   2.646   5.557
  587   1HB   SER  81          1HB       SER  81   6.495   5.540   5.610
  588   2HB   SER  81          2HB       SER  81   5.338   4.754   6.692
  589    HG   SER  81           HG       SER  81   8.078   4.026   6.399
  590    H    PHE  82           H        PHE  82   3.469   2.879   4.883
  591    HA   PHE  82           HA       PHE  82   2.894   4.846   2.781
  592   1HB   PHE  82          1HB       PHE  82   1.688   3.174   1.422
  593   2HB   PHE  82          2HB       PHE  82   3.371   2.839   1.524
  594    HD1  PHE  82           HD2      PHE  82   0.044   1.915   2.980
  595    HD2  PHE  82           HD1      PHE  82   4.107   0.583   2.282
  596    HE1  PHE  82           HE2      PHE  82  -0.454  -0.239   4.065
  597    HE2  PHE  82           HE1      PHE  82   3.536  -1.595   3.269
  598    HZ   PHE  82           HZ       PHE  82   1.296  -1.977   4.271
  599    OH   TYR  83           OH       TYR  83   0.831  10.848   1.433
  600    H    TYR  83           H        TYR  83   0.565   4.931   2.273
  601    HA   TYR  83           HA       TYR  83  -1.237   4.271   4.471
  602   1HB   TYR  83          1HB       TYR  83  -1.804   6.616   4.993
  603   2HB   TYR  83          2HB       TYR  83  -0.123   6.262   5.374
  604    HD1  TYR  83           HD1      TYR  83   1.728   7.151   3.928
  605    HD2  TYR  83           HD2      TYR  83  -2.393   8.255   3.310
  606    HE1  TYR  83           HE1      TYR  83   2.452   9.062   2.546
  607    HE2  TYR  83           HE2      TYR  83  -1.657  10.208   1.958
  608    HH   TYR  83           HH       TYR  83   1.784  10.911   1.335
  609    H    CYS  84           H        CYS  84  -3.431   4.910   4.143
  610    HA   CYS  84           HA       CYS  84  -4.206   5.049   1.255
  611   1HB   CYS  84          1HB       CYS  84  -5.208   3.160   2.428
  612   2HB   CYS  84          2HB       CYS  84  -5.616   4.196   3.804
  613    H    SER  85           H        SER  85  -4.237   7.186   0.671
  614    HA   SER  85           HA       SER  85  -4.437   9.246   2.438
  615   1HB   SER  85          1HB       SER  85  -5.554   9.962  -0.214
  616   2HB   SER  85          2HB       SER  85  -4.192  10.619   0.681
  617    HG   SER  85           HG       SER  85  -2.954   8.846   0.056
  618    HA   PRO  86           HA       PRO  86  -9.252   9.619   1.541
  619   1HB   PRO  86          1HB       PRO  86  -9.712   6.647   1.242
  620   2HB   PRO  86          2HB       PRO  86 -10.673   7.996   0.575
  621   1HG   PRO  86          1HG       PRO  86  -8.908   6.694  -1.023
  622   2HG   PRO  86          2HG       PRO  86  -8.973   8.480  -1.055
  623   1HD   PRO  86          1HD       PRO  86  -7.010   6.715   0.401
  624   2HD   PRO  86          2HD       PRO  86  -6.708   8.163  -0.574
  625    H    HIS  87           H        HIS  87  -7.445   7.355   3.572
  626    HA   HIS  87           HA       HIS  87  -9.388   7.861   5.771
  627   1HB   HIS  87          1HB       HIS  87  -8.219   5.167   5.039
  628   2HB   HIS  87          2HB       HIS  87  -9.199   5.501   6.461
  629    HD2  HIS  87           HD2      HIS  87 -11.765   6.722   5.689
  630    HE1  HIS  87           HE1      HIS  87 -12.156   3.941   2.505
  631    HE2  HIS  87           HE2      HIS  87 -13.394   5.582   3.990
  632    H    GLN  88           H        GLN  88  -6.755   9.091   5.042
  633    HA   GLN  88           HA       GLN  88  -4.764   7.949   6.693
  634   1HB   GLN  88          1HB       GLN  88  -3.522   9.830   6.336
  635   2HB   GLN  88          2HB       GLN  88  -4.450   9.658   4.860
  636   1HG   GLN  88          1HG       GLN  88  -5.013  11.672   7.099
  637   2HG   GLN  88          2HG       GLN  88  -4.132  11.994   5.620
  638   1HE2  GLN  88          1HE2      GLN  88  -7.040  12.770   3.812
  639   2HE2  GLN  88          2HE2      GLN  88  -5.300  12.935   3.978
  640    H    GLY  89           H        GLY  89  -7.258  10.402   7.346
  641   1HA   GLY  89          1HA       GLY  89  -6.605  11.097   9.995
  642   2HA   GLY  89          2HA       GLY  89  -8.230  11.141   9.283
  643    H    ALA  90           H        ALA  90  -8.383   8.274   8.724
  644    HA   ALA  90           HA       ALA  90  -9.193   7.355  11.385
  645   1HB   ALA  90          1HB       ALA  90 -10.162   5.478  10.185
  646   2HB   ALA  90          2HB       ALA  90 -10.596   6.992   9.366
  647   3HB   ALA  90          3HB       ALA  90  -9.319   5.947   8.697
  648    H    GLY  91           H        GLY  91  -6.169   7.496  10.043
  649   1HA   GLY  91          1HA       GLY  91  -4.245   6.490  10.657
  650   2HA   GLY  91          2HA       GLY  91  -5.132   5.460  11.788
  651    H    MET  92           H        MET  92  -6.035   5.516   8.309
  652    HA   MET  92           HA       MET  92  -5.311   2.678   8.198
  653   1HB   MET  92          1HB       MET  92  -7.378   3.504   7.147
  654   2HB   MET  92          2HB       MET  92  -6.394   4.405   5.970
  655   1HG   MET  92          1HG       MET  92  -5.413   2.336   5.140
  656   2HG   MET  92          2HG       MET  92  -6.069   1.424   6.492
  657   1HE   MET  92          1HE       MET  92  -7.675  -0.430   3.642
  658   2HE   MET  92          2HE       MET  92  -6.092   0.376   3.538
  659   3HE   MET  92          3HE       MET  92  -6.584  -0.429   5.037
  660    H    VAL  93           H        VAL  93  -3.114   3.027   8.707
  661    HA   VAL  93           HA       VAL  93  -1.375   3.769   6.411
  662    HB   VAL  93           HB       VAL  93   0.292   4.546   7.925
  663   1HG1  VAL  93          1HG1      VAL  93  -0.750   6.548   8.779
  664   2HG1  VAL  93          2HG1      VAL  93  -1.543   6.132   7.252
  665   3HG1  VAL  93          3HG1      VAL  93  -2.353   5.797   8.791
  666   1HG2  VAL  93          1HG2      VAL  93  -1.636   3.822  10.166
  667   2HG2  VAL  93          2HG2      VAL  93  -0.078   3.034   9.823
  668   3HG2  VAL  93          3HG2      VAL  93  -0.116   4.723  10.354
  669    H    GLY  94           H        GLY  94   0.837   2.623   6.544
  670   1HA   GLY  94          1HA       GLY  94   0.995   0.165   8.024
  671   2HA   GLY  94          2HA       GLY  94   0.530  -0.132   6.339
  672    H    LYS  95           H        LYS  95   2.854  -1.238   6.877
  673    HA   LYS  95           HA       LYS  95   4.848   0.458   5.547
  674   1HB   LYS  95          1HB       LYS  95   5.466  -0.943   8.192
  675   2HB   LYS  95          2HB       LYS  95   6.589  -0.016   7.189
  676   1HG   LYS  95          1HG       LYS  95   5.074   2.015   7.625
  677   2HG   LYS  95          2HG       LYS  95   4.274   1.026   8.862
  678   1HD   LYS  95          1HD       LYS  95   6.543   0.646   9.916
  679   2HD   LYS  95          2HD       LYS  95   7.241   1.750   8.716
  680   1HE   LYS  95          1HE       LYS  95   5.149   2.470  10.822
  681   2HE   LYS  95          2HE       LYS  95   6.863   2.914  10.828
  682   1HZ   LYS  95          1HZ       LYS  95   5.610   4.714  10.024
  683   2HZ   LYS  95          2HZ       LYS  95   6.451   4.096   8.743
  684   3HZ   LYS  95          3HZ       LYS  95   4.840   3.792   8.898
  685    H    VAL  96           H        VAL  96   6.723  -0.824   4.827
  686    HA   VAL  96           HA       VAL  96   6.354  -3.742   4.827
  687    HB   VAL  96           HB       VAL  96   5.055  -3.207   2.967
  688   1HG1  VAL  96          1HG1      VAL  96   5.676  -1.891   1.066
  689   2HG1  VAL  96          2HG1      VAL  96   5.992  -0.873   2.479
  690   3HG1  VAL  96          3HG1      VAL  96   7.334  -1.704   1.649
  691   1HG2  VAL  96          1HG2      VAL  96   7.762  -4.009   1.876
  692   2HG2  VAL  96          2HG2      VAL  96   6.656  -5.101   2.747
  693   3HG2  VAL  96          3HG2      VAL  96   6.161  -4.365   1.202
  694    H    THR  97           H        THR  97   8.201  -4.771   4.930
  695    HA   THR  97           HA       THR  97  10.729  -3.205   4.886
  696    HB   THR  97           HB       THR  97  10.446  -5.955   6.093
  697    HG1  THR  97           HG1      THR  97   8.720  -4.790   6.940
  698   1HG2  THR  97          1HG2      THR  97  12.044  -3.476   6.849
  699   2HG2  THR  97          2HG2      THR  97  12.125  -5.066   7.632
  700   3HG2  THR  97          3HG2      THR  97  12.675  -4.880   5.953
  701    H    VAL  98           H        VAL  98  11.673  -3.331   2.868
  702    HA   VAL  98           HA       VAL  98  11.395  -5.770   1.277
  703    HB   VAL  98           HB       VAL  98  12.949  -3.233   0.720
  704   1HG1  VAL  98          1HG1      VAL  98  12.795  -4.068  -1.638
  705   2HG1  VAL  98          2HG1      VAL  98  13.676  -5.222  -0.622
  706   3HG1  VAL  98          3HG1      VAL  98  11.985  -5.533  -1.057
  707   1HG2  VAL  98          1HG2      VAL  98  10.519  -2.786   0.996
  708   2HG2  VAL  98          2HG2      VAL  98  10.998  -2.706  -0.700
  709   3HG2  VAL  98          3HG2      VAL  98  10.146  -4.135  -0.091
  710    H    ASN  99           H        ASN  99  12.535  -7.450   1.990
  711    HA   ASN  99           HA       ASN  99  15.185  -7.064   3.332
  712   1HB   ASN  99          1HB       ASN  99  13.202  -9.368   3.276
  713   2HB   ASN  99          2HB       ASN  99  14.805  -9.469   4.009
  714   1HD2  ASN  99          1HD2      ASN  99  13.993  -7.432   6.842
  715   2HD2  ASN  99          2HD2      ASN  99  15.323  -7.976   5.843
   
  Start of MODEL           7
 Raw file had 715 H/Q atoms
  Start of MODEL    7
    1    H    LEU   1           H        LEU   1   3.143  -8.479  -1.186
    2    HA   LEU   1           HA       LEU   1   2.708 -11.236  -1.141
    3   1HB   LEU   1          1HB       LEU   1   1.845  -9.855   1.428
    4   2HB   LEU   1          2HB       LEU   1   1.738 -11.577   1.047
    5    HG   LEU   1           HG       LEU   1   4.280  -9.992   1.575
    6   1HD1  LEU   1          1HD1      LEU   1   2.880 -10.355   3.576
    7   2HD1  LEU   1          2HD1      LEU   1   2.841 -12.098   3.240
    8   3HD1  LEU   1          3HD1      LEU   1   4.373 -11.306   3.662
    9   1HD2  LEU   1          1HD2      LEU   1   5.439 -12.122   1.641
   10   2HD2  LEU   1          2HD2      LEU   1   3.971 -12.972   1.094
   11   3HD2  LEU   1          3HD2      LEU   1   4.789 -11.802   0.023
   12    H    GLU   2           H        GLU   2   0.121 -11.423  -0.449
   13    HA   GLU   2           HA       GLU   2  -1.235  -9.367  -2.055
   14   1HB   GLU   2          1HB       GLU   2  -1.709 -11.802  -2.374
   15   2HB   GLU   2          2HB       GLU   2  -2.426 -11.830  -0.747
   16   1HG   GLU   2          1HG       GLU   2  -4.023 -10.031  -1.460
   17   2HG   GLU   2          2HG       GLU   2  -3.308 -10.050  -3.079
   18    H    VAL   3           H        VAL   3  -1.612  -7.540  -0.928
   19    HA   VAL   3           HA       VAL   3  -2.155  -7.668   1.989
   20    HB   VAL   3           HB       VAL   3  -1.487  -5.287   0.247
   21   1HG1  VAL   3          1HG1      VAL   3  -2.699  -4.666   2.313
   22   2HG1  VAL   3          2HG1      VAL   3  -1.595  -5.668   3.279
   23   3HG1  VAL   3          3HG1      VAL   3  -0.986  -4.223   2.463
   24   1HG2  VAL   3          1HG2      VAL   3   0.332  -6.900   2.083
   25   2HG2  VAL   3          2HG2      VAL   3   0.430  -6.832   0.313
   26   3HG2  VAL   3          3HG2      VAL   3   0.745  -5.380   1.266
   27    H    LEU   4           H        LEU   4  -4.232  -7.632   2.609
   28    HA   LEU   4           HA       LEU   4  -6.345  -6.839   0.727
   29   1HB   LEU   4          1HB       LEU   4  -6.465  -7.740   3.623
   30   2HB   LEU   4          2HB       LEU   4  -7.843  -7.517   2.563
   31    HG   LEU   4           HG       LEU   4  -5.632  -9.600   2.294
   32   1HD1  LEU   4          1HD1      LEU   4  -8.639  -9.827   2.753
   33   2HD1  LEU   4          2HD1      LEU   4  -7.487 -11.176   2.660
   34   3HD1  LEU   4          3HD1      LEU   4  -7.386 -10.017   4.000
   35   1HD2  LEU   4          1HD2      LEU   4  -7.004 -10.494   0.378
   36   2HD2  LEU   4          2HD2      LEU   4  -7.936  -8.983   0.390
   37   3HD2  LEU   4          3HD2      LEU   4  -6.196  -8.970   0.016
   38    H    LEU   5           H        LEU   5  -7.033  -4.836   0.517
   39    HA   LEU   5           HA       LEU   5  -6.417  -2.721   2.487
   40   1HB   LEU   5          1HB       LEU   5  -7.912  -2.617  -0.141
   41   2HB   LEU   5          2HB       LEU   5  -7.375  -1.237   0.809
   42    HG   LEU   5           HG       LEU   5  -5.531  -3.261  -0.551
   43   1HD1  LEU   5          1HD1      LEU   5  -6.842  -1.918  -2.166
   44   2HD1  LEU   5          2HD1      LEU   5  -6.318  -0.428  -1.351
   45   3HD1  LEU   5          3HD1      LEU   5  -5.140  -1.445  -2.187
   46   1HD2  LEU   5          1HD2      LEU   5  -3.821  -1.465  -0.079
   47   2HD2  LEU   5          2HD2      LEU   5  -5.030  -0.621   0.904
   48   3HD2  LEU   5          3HD2      LEU   5  -4.467  -2.243   1.376
   49    H    GLY   6           H        GLY   6  -7.687  -3.428   4.260
   50   1HA   GLY   6          1HA       GLY   6  -9.804  -2.710   5.248
   51   2HA   GLY   6          2HA       GLY   6 -10.660  -3.454   3.886
   52    H    SER   7           H        SER   7 -11.306  -4.318   6.406
   53    HA   SER   7           HA       SER   7 -10.295  -7.126   6.321
   54   1HB   SER   7          1HB       SER   7 -10.152  -7.003   8.877
   55   2HB   SER   7          2HB       SER   7  -8.920  -6.221   7.863
   56    HG   SER   7           HG       SER   7 -10.129  -4.218   8.159
   57    H    GLY   8           H        GLY   8 -12.431  -6.447   5.194
   58   1HA   GLY   8          1HA       GLY   8 -14.506  -7.301   4.748
   59   2HA   GLY   8          2HA       GLY   8 -14.387  -8.259   6.226
   60    H    ASP   9           H        ASP   9 -14.414  -6.773   8.231
   61    HA   ASP   9           HA       ASP   9 -17.163  -5.739   8.262
   62   1HB   ASP   9          1HB       ASP   9 -17.080  -5.792  10.598
   63   2HB   ASP   9          2HB       ASP   9 -16.241  -7.245  10.046
   64    H    GLY  10           H        GLY  10 -15.638  -4.119   6.678
   65   1HA   GLY  10          1HA       GLY  10 -15.571  -1.868   6.184
   66   2HA   GLY  10          2HA       GLY  10 -16.225  -1.505   7.785
   67    H    SER  11           H        SER  11 -14.080  -2.974   9.128
   68    HA   SER  11           HA       SER  11 -12.415  -1.014   9.975
   69   1HB   SER  11          1HB       SER  11 -12.400  -2.842  11.257
   70   2HB   SER  11          2HB       SER  11 -12.085  -3.978   9.934
   71    HG   SER  11           HG       SER  11 -10.056  -3.723  10.236
   72    H    LEU  12           H        LEU  12 -11.372   0.326   8.938
   73    HA   LEU  12           HA       LEU  12 -10.140   0.053   6.352
   74   1HB   LEU  12          1HB       LEU  12 -10.102   2.294   8.434
   75   2HB   LEU  12          2HB       LEU  12  -9.659   2.474   6.737
   76    HG   LEU  12           HG       LEU  12 -12.462   1.713   7.695
   77   1HD1  LEU  12          1HD1      LEU  12 -13.028   4.066   7.165
   78   2HD1  LEU  12          2HD1      LEU  12 -11.900   3.920   8.524
   79   3HD1  LEU  12          3HD1      LEU  12 -11.300   4.411   6.932
   80   1HD2  LEU  12          1HD2      LEU  12 -11.399   2.656   4.997
   81   2HD2  LEU  12          2HD2      LEU  12 -11.955   1.014   5.380
   82   3HD2  LEU  12          3HD2      LEU  12 -13.104   2.360   5.399
   83    H    VAL  13           H        VAL  13  -8.690  -1.739   7.150
   84    HA   VAL  13           HA       VAL  13  -6.058  -0.514   7.860
   85    HB   VAL  13           HB       VAL  13  -5.522  -2.392   9.324
   86   1HG1  VAL  13          1HG1      VAL  13  -8.058  -0.988  10.265
   87   2HG1  VAL  13          2HG1      VAL  13  -6.786  -1.700  11.269
   88   3HG1  VAL  13          3HG1      VAL  13  -6.430  -0.274  10.278
   89   1HG2  VAL  13          1HG2      VAL  13  -7.053  -4.115   8.450
   90   2HG2  VAL  13          2HG2      VAL  13  -7.307  -3.880  10.186
   91   3HG2  VAL  13          3HG2      VAL  13  -8.435  -3.165   9.022
   92    H    PHE  14           H        PHE  14  -4.248  -1.618   7.111
   93    HA   PHE  14           HA       PHE  14  -4.665  -3.169   4.623
   94   1HB   PHE  14          1HB       PHE  14  -2.232  -1.993   6.039
   95   2HB   PHE  14          2HB       PHE  14  -2.115  -3.051   4.655
   96    HD1  PHE  14           HD2      PHE  14  -3.322   0.298   5.772
   97    HD2  PHE  14           HD1      PHE  14  -2.200  -2.203   2.441
   98    HE1  PHE  14           HE2      PHE  14  -3.083   2.288   4.312
   99    HE2  PHE  14           HE1      PHE  14  -1.838  -0.220   1.071
  100    HZ   PHE  14           HZ       PHE  14  -2.409   2.040   1.940
  101    H    VAL  15           H        VAL  15  -4.561  -5.443   4.747
  102    HA   VAL  15           HA       VAL  15  -3.261  -6.623   7.189
  103    HB   VAL  15           HB       VAL  15  -5.596  -7.764   5.650
  104   1HG1  VAL  15          1HG1      VAL  15  -4.144  -9.472   6.706
  105   2HG1  VAL  15          2HG1      VAL  15  -4.241  -8.599   8.252
  106   3HG1  VAL  15          3HG1      VAL  15  -5.693  -9.338   7.547
  107   1HG2  VAL  15          1HG2      VAL  15  -6.381  -5.812   6.848
  108   2HG2  VAL  15          2HG2      VAL  15  -6.853  -7.258   7.753
  109   3HG2  VAL  15          3HG2      VAL  15  -5.477  -6.283   8.308
  110    HA   PRO  16           HA       PRO  16  -1.499  -7.795   7.704
  111   1HB   PRO  16          1HB       PRO  16   1.180  -7.938   7.345
  112   2HB   PRO  16          2HB       PRO  16   0.118  -9.371   7.246
  113   1HG   PRO  16          1HG       PRO  16   1.142  -7.682   4.942
  114   2HG   PRO  16          2HG       PRO  16   1.228  -9.461   5.114
  115   1HD   PRO  16          1HD       PRO  16  -0.756  -8.252   3.702
  116   2HD   PRO  16          2HD       PRO  16  -1.110  -9.680   4.704
  117    H    SER  17           H        SER  17  -0.756  -5.996   8.886
  118    HA   SER  17           HA       SER  17  -0.654  -3.459   7.497
  119   1HB   SER  17          1HB       SER  17  -0.106  -3.898  10.443
  120   2HB   SER  17          2HB       SER  17  -0.880  -2.525   9.629
  121    HG   SER  17           HG       SER  17  -2.523  -4.188   8.998
  122    H    GLU  18           H        GLU  18   1.674  -5.652   9.014
  123    HA   GLU  18           HA       GLU  18   3.930  -4.069   7.984
  124   1HB   GLU  18          1HB       GLU  18   3.768  -3.430  10.346
  125   2HB   GLU  18          2HB       GLU  18   3.603  -5.127  10.824
  126   1HG   GLU  18          1HG       GLU  18   5.848  -4.333  11.303
  127   2HG   GLU  18          2HG       GLU  18   5.917  -5.596  10.083
  128    H    PHE  19           H        PHE  19   5.551  -5.474   7.198
  129    HA   PHE  19           HA       PHE  19   5.650  -8.263   7.775
  130   1HB   PHE  19          1HB       PHE  19   4.912  -9.166   5.648
  131   2HB   PHE  19          2HB       PHE  19   3.585  -8.365   6.443
  132    HD1  PHE  19           HD1      PHE  19   3.123  -5.813   5.693
  133    HD2  PHE  19           HD2      PHE  19   5.097  -8.856   3.344
  134    HE1  PHE  19           HE1      PHE  19   2.492  -4.637   3.640
  135    HE2  PHE  19           HE2      PHE  19   4.503  -7.614   1.278
  136    HZ   PHE  19           HZ       PHE  19   3.199  -5.511   1.421
  137    H    SER  20           H        SER  20   7.179  -9.337   6.032
  138    HA   SER  20           HA       SER  20   9.149  -7.360   5.049
  139   1HB   SER  20          1HB       SER  20   9.800  -9.909   6.582
  140   2HB   SER  20          2HB       SER  20  10.954  -8.698   6.003
  141    HG   SER  20           HG       SER  20   9.813  -7.188   7.473
  142    H    VAL  21           H        VAL  21  10.030  -7.891   3.062
  143    HA   VAL  21           HA       VAL  21   9.468 -10.572   1.929
  144    HB   VAL  21           HB       VAL  21   8.705  -9.478  -0.148
  145   1HG1  VAL  21          1HG1      VAL  21   6.450  -8.935   0.570
  146   2HG1  VAL  21          2HG1      VAL  21   7.065 -10.277   1.554
  147   3HG1  VAL  21          3HG1      VAL  21   7.018  -8.625   2.216
  148   1HG2  VAL  21          1HG2      VAL  21   9.721  -7.238   0.074
  149   2HG2  VAL  21          2HG2      VAL  21   7.977  -7.138  -0.194
  150   3HG2  VAL  21          3HG2      VAL  21   8.629  -6.876   1.429
  151    HA   PRO  22           HA       PRO  22  13.560  -9.885   0.389
  152   1HB   PRO  22          1HB       PRO  22  13.770 -11.581  -1.717
  153   2HB   PRO  22          2HB       PRO  22  13.538 -12.177  -0.047
  154   1HG   PRO  22          1HG       PRO  22  11.403 -11.748  -2.161
  155   2HG   PRO  22          2HG       PRO  22  11.683 -13.218  -1.184
  156   1HD   PRO  22          1HD       PRO  22   9.828 -11.352  -0.474
  157   2HD   PRO  22          2HD       PRO  22  10.802 -12.196   0.757
  158    H    SER  23           H        SER  23  14.697  -8.666  -1.206
  159    HA   SER  23           HA       SER  23  13.440  -6.698  -2.710
  160   1HB   SER  23          1HB       SER  23  16.080  -8.160  -3.066
  161   2HB   SER  23          2HB       SER  23  15.612  -6.824  -4.119
  162    HG   SER  23           HG       SER  23  15.593  -5.444  -2.481
  163    H    GLY  24           H        GLY  24  12.261  -6.691  -4.491
  164   1HA   GLY  24          1HA       GLY  24  11.878  -7.218  -6.782
  165   2HA   GLY  24          2HA       GLY  24  12.536  -8.841  -6.560
  166    H    GLU  25           H        GLU  25  10.675  -8.446  -3.801
  167    HA   GLU  25           HA       GLU  25   8.660 -10.136  -4.806
  168   1HB   GLU  25          1HB       GLU  25   9.254 -10.008  -2.428
  169   2HB   GLU  25          2HB       GLU  25   8.573  -8.372  -2.337
  170   1HG   GLU  25          1HG       GLU  25   6.970 -10.034  -1.439
  171   2HG   GLU  25          2HG       GLU  25   6.308  -9.286  -2.877
  172    H    LYS  26           H        LYS  26   6.682  -9.836  -5.568
  173    HA   LYS  26           HA       LYS  26   5.841  -7.204  -6.602
  174   1HB   LYS  26          1HB       LYS  26   5.010 -10.080  -7.157
  175   2HB   LYS  26          2HB       LYS  26   4.383  -8.648  -7.987
  176   1HG   LYS  26          1HG       LYS  26   6.624  -8.112  -8.847
  177   2HG   LYS  26          2HG       LYS  26   7.336  -9.438  -7.920
  178   1HD   LYS  26          1HD       LYS  26   5.976 -11.079  -9.208
  179   2HD   LYS  26          2HD       LYS  26   5.296  -9.747 -10.160
  180   1HE   LYS  26          1HE       LYS  26   7.123 -10.822 -11.390
  181   2HE   LYS  26          2HE       LYS  26   7.578  -9.162 -10.970
  182   1HZ   LYS  26          1HZ       LYS  26   8.872 -10.031  -9.165
  183   2HZ   LYS  26          2HZ       LYS  26   8.398 -11.574  -9.495
  184   3HZ   LYS  26          3HZ       LYS  26   9.332 -10.748 -10.571
  185    H    ILE  27           H        ILE  27   4.823  -6.180  -4.863
  186    HA   ILE  27           HA       ILE  27   3.060  -7.677  -3.074
  187    HB   ILE  27           HB       ILE  27   3.555  -4.690  -3.280
  188   1HG1  ILE  27          1HG1      ILE  27   4.895  -6.773  -1.480
  189   2HG1  ILE  27          2HG1      ILE  27   5.667  -5.957  -2.846
  190   1HG2  ILE  27          1HG2      ILE  27   2.438  -6.359  -0.987
  191   2HG2  ILE  27          2HG2      ILE  27   2.661  -4.601  -0.988
  192   3HG2  ILE  27          3HG2      ILE  27   1.468  -5.319  -2.051
  193   1HD1  ILE  27          1HD1      ILE  27   6.395  -4.874  -0.879
  194   2HD1  ILE  27          2HD1      ILE  27   5.302  -3.758  -1.730
  195   3HD1  ILE  27          3HD1      ILE  27   4.750  -4.631  -0.280
  196    H    VAL  28           H        VAL  28   0.854  -7.675  -3.152
  197    HA   VAL  28           HA       VAL  28  -0.512  -6.303  -5.447
  198    HB   VAL  28           HB       VAL  28  -1.069  -9.047  -4.251
  199   1HG1  VAL  28          1HG1      VAL  28  -2.685  -9.255  -6.118
  200   2HG1  VAL  28          2HG1      VAL  28  -3.142  -7.946  -5.023
  201   3HG1  VAL  28          3HG1      VAL  28  -2.370  -7.571  -6.576
  202   1HG2  VAL  28          1HG2      VAL  28   0.083  -8.295  -6.960
  203   2HG2  VAL  28          2HG2      VAL  28   0.962  -9.097  -5.641
  204   3HG2  VAL  28          3HG2      VAL  28  -0.380  -9.924  -6.438
  205    H    PHE  29           H        PHE  29  -1.425  -4.560  -4.412
  206    HA   PHE  29           HA       PHE  29  -2.712  -4.897  -1.763
  207   1HB   PHE  29          1HB       PHE  29  -2.392  -2.511  -3.588
  208   2HB   PHE  29          2HB       PHE  29  -3.179  -2.492  -2.021
  209    HD1  PHE  29           HD1      PHE  29  -1.892  -2.943   0.077
  210    HD2  PHE  29           HD2      PHE  29   0.005  -2.416  -3.753
  211    HE1  PHE  29           HE1      PHE  29   0.241  -2.355   1.223
  212    HE2  PHE  29           HE2      PHE  29   2.158  -1.913  -2.588
  213    HZ   PHE  29           HZ       PHE  29   2.265  -1.856  -0.120
  214    H    LYS  30           H        LYS  30  -4.673  -5.928  -1.859
  215    HA   LYS  30           HA       LYS  30  -6.443  -5.538  -4.226
  216   1HB   LYS  30          1HB       LYS  30  -5.637  -7.787  -3.631
  217   2HB   LYS  30          2HB       LYS  30  -6.422  -7.650  -2.052
  218   1HG   LYS  30          1HG       LYS  30  -8.631  -7.518  -3.117
  219   2HG   LYS  30          2HG       LYS  30  -7.875  -7.465  -4.722
  220   1HD   LYS  30          1HD       LYS  30  -6.904  -9.713  -4.362
  221   2HD   LYS  30          2HD       LYS  30  -7.655  -9.798  -2.761
  222   1HE   LYS  30          1HE       LYS  30  -9.181  -9.482  -5.395
  223   2HE   LYS  30          2HE       LYS  30  -8.921 -11.019  -4.554
  224   1HZ   LYS  30          1HZ       LYS  30 -10.359  -8.712  -3.444
  225   2HZ   LYS  30          2HZ       LYS  30 -11.037 -10.093  -4.027
  226   3HZ   LYS  30          3HZ       LYS  30 -10.096 -10.147  -2.677
  227    H    ASN  31           H        ASN  31  -8.306  -4.399  -4.081
  228    HA   ASN  31           HA       ASN  31  -9.224  -3.122  -1.677
  229   1HB   ASN  31          1HB       ASN  31 -10.277  -3.491  -4.478
  230   2HB   ASN  31          2HB       ASN  31 -11.451  -3.185  -3.200
  231   1HD2  ASN  31          1HD2      ASN  31 -10.983   0.158  -4.289
  232   2HD2  ASN  31          2HD2      ASN  31 -11.798  -1.320  -4.767
  233    H    ASN  32           H        ASN  32  -9.865  -4.246   0.101
  234    HA   ASN  32           HA       ASN  32 -11.343  -6.805  -0.223
  235   1HB   ASN  32          1HB       ASN  32  -9.489  -6.840   1.259
  236   2HB   ASN  32          2HB       ASN  32 -10.033  -5.437   2.144
  237   1HD2  ASN  32          1HD2      ASN  32 -11.741  -9.032   3.031
  238   2HD2  ASN  32          2HD2      ASN  32 -10.700  -8.890   1.630
  239    H    ALA  33           H        ALA  33 -11.611  -4.050   1.983
  240    HA   ALA  33           HA       ALA  33 -14.475  -3.655   1.405
  241   1HB   ALA  33          1HB       ALA  33 -15.207  -4.128   3.707
  242   2HB   ALA  33          2HB       ALA  33 -14.502  -5.580   2.975
  243   3HB   ALA  33          3HB       ALA  33 -13.561  -4.627   4.146
  244    H    GLY  34           H        GLY  34 -15.348  -1.816   2.806
  245   1HA   GLY  34          1HA       GLY  34 -15.148   0.333   3.592
  246   2HA   GLY  34          2HA       GLY  34 -13.590  -0.135   4.290
  247    H    PHE  35           H        PHE  35 -14.116  -0.535   0.865
  248    HA   PHE  35           HA       PHE  35 -12.023   1.322   0.070
  249   1HB   PHE  35          1HB       PHE  35 -12.570   0.381  -2.197
  250   2HB   PHE  35          2HB       PHE  35 -12.235  -0.784  -0.970
  251    HD1  PHE  35           HD2      PHE  35 -15.055   0.992  -2.641
  252    HD2  PHE  35           HD1      PHE  35 -13.649  -2.575  -0.690
  253    HE1  PHE  35           HE2      PHE  35 -17.314  -0.048  -2.916
  254    HE2  PHE  35           HE1      PHE  35 -15.943  -3.571  -0.838
  255    HZ   PHE  35           HZ       PHE  35 -17.767  -2.304  -1.964
  256    HA   PRO  36           HA       PRO  36 -12.276   2.320  -2.528
  257   1HB   PRO  36          1HB       PRO  36 -11.630   4.751  -3.348
  258   2HB   PRO  36          2HB       PRO  36 -13.183   4.006  -3.766
  259   1HG   PRO  36          1HG       PRO  36 -12.697   5.923  -1.463
  260   2HG   PRO  36          2HG       PRO  36 -13.922   6.070  -2.766
  261   1HD   PRO  36          1HD       PRO  36 -14.555   4.913  -0.387
  262   2HD   PRO  36          2HD       PRO  36 -15.168   4.215  -1.911
  263    H    HIS  37           H        HIS  37 -10.001   2.657  -2.836
  264    HA   HIS  37           HA       HIS  37  -8.499   3.800  -0.598
  265   1HB   HIS  37          1HB       HIS  37  -8.241   0.887  -1.458
  266   2HB   HIS  37          2HB       HIS  37  -7.284   1.659  -0.203
  267    HD2  HIS  37           HD2      HIS  37  -9.909  -0.809  -0.495
  268    HE1  HIS  37           HE1      HIS  37 -10.489   0.837   3.356
  269    HE2  HIS  37           HE2      HIS  37 -10.888  -1.173   1.859
  270    H    ASN  38           H        ASN  38  -6.093   3.575  -0.998
  271    HA   ASN  38           HA       ASN  38  -5.154   2.875  -3.599
  272   1HB   ASN  38          1HB       ASN  38  -4.405   4.983  -4.316
  273   2HB   ASN  38          2HB       ASN  38  -6.082   5.298  -3.882
  274   1HD2  ASN  38          1HD2      ASN  38  -3.296   7.572  -2.226
  275   2HD2  ASN  38          2HD2      ASN  38  -3.107   6.712  -3.759
  276    H    VAL  39           H        VAL  39  -2.595   3.628  -3.369
  277    HA   VAL  39           HA       VAL  39  -1.815   3.281  -0.508
  278    HB   VAL  39           HB       VAL  39  -0.633   1.758  -2.864
  279   1HG1  VAL  39          1HG1      VAL  39  -0.140   1.583   0.147
  280   2HG1  VAL  39          2HG1      VAL  39   0.594   0.552  -1.098
  281   3HG1  VAL  39          3HG1      VAL  39   0.988   2.271  -1.045
  282   1HG2  VAL  39          1HG2      VAL  39  -2.788   0.775  -2.449
  283   2HG2  VAL  39          2HG2      VAL  39  -1.618  -0.222  -1.582
  284   3HG2  VAL  39          3HG2      VAL  39  -2.607   0.938  -0.689
  285    H    VAL  40           H        VAL  40  -0.618   4.962   0.048
  286    HA   VAL  40           HA       VAL  40   1.128   6.281  -1.970
  287    HB   VAL  40           HB       VAL  40   0.010   7.454   0.598
  288   1HG1  VAL  40          1HG1      VAL  40   1.495   8.646  -1.795
  289   2HG1  VAL  40          2HG1      VAL  40   0.802   9.589  -0.466
  290   3HG1  VAL  40          3HG1      VAL  40   2.133   8.463  -0.147
  291   1HG2  VAL  40          1HG2      VAL  40  -0.961   7.794  -2.264
  292   2HG2  VAL  40          2HG2      VAL  40  -1.852   7.123  -0.869
  293   3HG2  VAL  40          3HG2      VAL  40  -1.419   8.841  -0.900
  294    H    PHE  41           H        PHE  41   3.218   5.825  -1.614
  295    HA   PHE  41           HA       PHE  41   4.054   4.622   0.949
  296   1HB   PHE  41          1HB       PHE  41   5.433   5.128  -1.692
  297   2HB   PHE  41          2HB       PHE  41   6.268   4.572  -0.250
  298    HD1  PHE  41           HD2      PHE  41   5.739   2.415   0.836
  299    HD2  PHE  41           HD1      PHE  41   3.930   3.546  -2.888
  300    HE1  PHE  41           HE2      PHE  41   5.370   0.010   0.291
  301    HE2  PHE  41           HE1      PHE  41   3.329   1.170  -3.317
  302    HZ   PHE  41           HZ       PHE  41   4.134  -0.607  -1.772
  303    H    ASP  42           H        ASP  42   4.859   5.837   2.555
  304    HA   ASP  42           HA       ASP  42   4.809   8.687   2.432
  305   1HB   ASP  42          1HB       ASP  42   4.410   7.550   4.530
  306   2HB   ASP  42          2HB       ASP  42   5.980   6.729   4.420
  307    H    GLU  43           H        GLU  43   6.145   9.685   1.043
  308    HA   GLU  43           HA       GLU  43   8.649   9.060   0.146
  309   1HB   GLU  43          1HB       GLU  43   8.918  11.378  -0.413
  310   2HB   GLU  43          2HB       GLU  43   7.265  10.863  -0.734
  311   1HG   GLU  43          1HG       GLU  43   8.220  12.566   1.621
  312   2HG   GLU  43          2HG       GLU  43   7.347  13.128   0.201
  313    H    ASP  44           H        ASP  44   7.904  10.509   3.302
  314    HA   ASP  44           HA       ASP  44  10.609  11.239   3.932
  315   1HB   ASP  44          1HB       ASP  44   8.639  12.288   4.973
  316   2HB   ASP  44          2HB       ASP  44   8.207  10.747   5.734
  317    H    GLU  45           H        GLU  45   8.981   8.131   4.000
  318    HA   GLU  45           HA       GLU  45  11.344   6.945   5.323
  319   1HB   GLU  45          1HB       GLU  45   9.599   7.447   7.037
  320   2HB   GLU  45          2HB       GLU  45   8.513   6.323   6.209
  321   1HG   GLU  45          1HG       GLU  45  10.081   4.465   6.647
  322   2HG   GLU  45          2HG       GLU  45  11.294   5.600   7.268
  323    H    ILE  46           H        ILE  46  11.736   6.574   3.072
  324    HA   ILE  46           HA       ILE  46  11.157   3.848   2.324
  325    HB   ILE  46           HB       ILE  46  10.711   4.491  -0.047
  326   1HG1  ILE  46          1HG1      ILE  46  10.024   7.256   1.006
  327   2HG1  ILE  46          2HG1      ILE  46  11.484   6.868   0.087
  328   1HG2  ILE  46          1HG2      ILE  46   8.437   5.441   1.707
  329   2HG2  ILE  46          2HG2      ILE  46   8.389   4.696   0.100
  330   3HG2  ILE  46          3HG2      ILE  46   8.890   3.746   1.487
  331   1HD1  ILE  46          1HD1      ILE  46  10.020   5.997  -1.778
  332   2HD1  ILE  46          2HD1      ILE  46   8.631   6.710  -0.921
  333   3HD1  ILE  46          3HD1      ILE  46   9.957   7.744  -1.485
  334    HA   PRO  47           HA       PRO  47  15.439   4.495   1.154
  335   1HB   PRO  47          1HB       PRO  47  14.911   2.993  -1.407
  336   2HB   PRO  47          2HB       PRO  47  16.167   2.707  -0.175
  337   1HG   PRO  47          1HG       PRO  47  13.993   1.087  -0.352
  338   2HG   PRO  47          2HG       PRO  47  14.605   1.603   1.246
  339   1HD   PRO  47          1HD       PRO  47  12.285   2.814  -0.301
  340   2HD   PRO  47          2HD       PRO  47  12.375   2.302   1.407
  341    H    ALA  48           H        ALA  48  15.721   6.614   0.593
  342    HA   ALA  48           HA       ALA  48  14.346   8.370  -0.839
  343   1HB   ALA  48          1HB       ALA  48  16.409   9.681  -1.103
  344   2HB   ALA  48          2HB       ALA  48  16.330   8.905   0.489
  345   3HB   ALA  48          3HB       ALA  48  17.386   8.235  -0.775
  346    H    GLY  49           H        GLY  49  16.724   6.231  -2.439
  347   1HA   GLY  49          1HA       GLY  49  16.749   7.447  -4.979
  348   2HA   GLY  49          2HA       GLY  49  17.070   5.739  -4.652
  349    H    VAL  50           H        VAL  50  14.272   5.312  -3.543
  350    HA   VAL  50           HA       VAL  50  13.042   4.757  -6.148
  351    HB   VAL  50           HB       VAL  50  12.108   4.051  -3.341
  352   1HG1  VAL  50          1HG1      VAL  50  10.276   4.010  -4.996
  353   2HG1  VAL  50          2HG1      VAL  50  11.284   3.076  -6.121
  354   3HG1  VAL  50          3HG1      VAL  50  10.759   2.355  -4.592
  355   1HG2  VAL  50          1HG2      VAL  50  12.980   1.798  -3.915
  356   2HG2  VAL  50          2HG2      VAL  50  13.676   2.450  -5.412
  357   3HG2  VAL  50          3HG2      VAL  50  14.284   2.991  -3.829
  358    H    ASP  51           H        ASP  51  12.019   6.435  -7.083
  359    HA   ASP  51           HA       ASP  51  10.889   8.678  -5.803
  360   1HB   ASP  51          1HB       ASP  51  11.400   8.709  -8.166
  361   2HB   ASP  51          2HB       ASP  51  10.300   7.353  -8.475
  362    H    ALA  52           H        ALA  52   9.282   8.648  -4.356
  363    HA   ALA  52           HA       ALA  52   7.533   6.635  -3.676
  364   1HB   ALA  52          1HB       ALA  52   6.163   8.342  -2.594
  365   2HB   ALA  52          2HB       ALA  52   7.887   8.675  -2.337
  366   3HB   ALA  52          3HB       ALA  52   6.971   9.622  -3.528
  367    H    VAL  53           H        VAL  53   7.054   9.157  -6.172
  368    HA   VAL  53           HA       VAL  53   4.324   8.606  -6.710
  369    HB   VAL  53           HB       VAL  53   6.447   9.745  -8.570
  370   1HG1  VAL  53          1HG1      VAL  53   4.506  10.881  -9.653
  371   2HG1  VAL  53          2HG1      VAL  53   4.463   9.131  -9.854
  372   3HG1  VAL  53          3HG1      VAL  53   3.405   9.908  -8.655
  373   1HG2  VAL  53          1HG2      VAL  53   6.295  11.062  -6.476
  374   2HG2  VAL  53          2HG2      VAL  53   5.558  11.945  -7.812
  375   3HG2  VAL  53          3HG2      VAL  53   4.526  11.114  -6.632
  376    H    LYS  54           H        LYS  54   7.259   6.885  -7.767
  377    HA   LYS  54           HA       LYS  54   5.851   5.499  -9.931
  378   1HB   LYS  54          1HB       LYS  54   8.560   5.111  -8.609
  379   2HB   LYS  54          2HB       LYS  54   7.959   4.045  -9.873
  380   1HG   LYS  54          1HG       LYS  54   8.078   7.050 -10.293
  381   2HG   LYS  54          2HG       LYS  54   9.490   6.016 -10.561
  382   1HD   LYS  54          1HD       LYS  54   8.239   4.643 -12.180
  383   2HD   LYS  54          2HD       LYS  54   6.796   5.643 -11.965
  384   1HE   LYS  54          1HE       LYS  54   9.486   6.644 -13.008
  385   2HE   LYS  54          2HE       LYS  54   8.081   6.232 -14.003
  386   1HZ   LYS  54          1HZ       LYS  54   6.844   7.933 -12.865
  387   2HZ   LYS  54          2HZ       LYS  54   8.166   8.351 -11.973
  388   3HZ   LYS  54          3HZ       LYS  54   8.178   8.555 -13.606
  389    H    ILE  55           H        ILE  55   6.758   4.782  -6.569
  390    HA   ILE  55           HA       ILE  55   5.675   2.066  -6.719
  391    HB   ILE  55           HB       ILE  55   6.044   1.968  -4.338
  392   1HG1  ILE  55          1HG1      ILE  55   7.538   4.607  -4.765
  393   2HG1  ILE  55          2HG1      ILE  55   6.017   4.421  -3.860
  394   1HG2  ILE  55          1HG2      ILE  55   7.572   1.097  -6.096
  395   2HG2  ILE  55          2HG2      ILE  55   8.451   2.640  -6.056
  396   3HG2  ILE  55          3HG2      ILE  55   8.408   1.574  -4.629
  397   1HD1  ILE  55          1HD1      ILE  55   7.233   2.626  -2.526
  398   2HD1  ILE  55          2HD1      ILE  55   8.728   3.247  -3.258
  399   3HD1  ILE  55          3HD1      ILE  55   7.755   4.319  -2.239
  400    H    SER  56           H        SER  56   4.465   5.217  -5.647
  401    HA   SER  56           HA       SER  56   2.141   4.112  -4.294
  402   1HB   SER  56          1HB       SER  56   2.788   6.932  -5.198
  403   2HB   SER  56          2HB       SER  56   1.504   6.481  -4.080
  404    HG   SER  56           HG       SER  56   4.311   6.303  -3.770
  405    H    MET  57           H        MET  57  -0.038   4.691  -4.795
  406    HA   MET  57           HA       MET  57  -0.696   4.691  -7.692
  407   1HB   MET  57          1HB       MET  57  -1.475   2.889  -5.924
  408   2HB   MET  57          2HB       MET  57  -2.694   4.090  -5.516
  409   1HG   MET  57          1HG       MET  57  -2.114   2.825  -8.216
  410   2HG   MET  57          2HG       MET  57  -3.533   2.537  -7.211
  411   1HE   MET  57          1HE       MET  57  -5.454   4.264  -6.883
  412   2HE   MET  57          2HE       MET  57  -5.597   5.780  -7.802
  413   3HE   MET  57          3HE       MET  57  -4.413   5.665  -6.493
  414    HA   PRO  58           HA       PRO  58  -0.998   9.137  -6.796
  415   1HB   PRO  58          1HB       PRO  58  -2.758   8.818  -9.247
  416   2HB   PRO  58          2HB       PRO  58  -1.693  10.195  -8.824
  417   1HG   PRO  58          1HG       PRO  58  -0.752   8.269 -10.465
  418   2HG   PRO  58          2HG       PRO  58   0.275   8.819  -9.108
  419   1HD   PRO  58          1HD       PRO  58  -1.393   6.319  -9.298
  420   2HD   PRO  58          2HD       PRO  58   0.236   6.554  -8.600
  421    H    GLU  59           H        GLU  59  -2.109   9.616  -5.016
  422    HA   GLU  59           HA       GLU  59  -4.586   8.759  -4.174
  423   1HB   GLU  59          1HB       GLU  59  -4.438  10.566  -2.527
  424   2HB   GLU  59          2HB       GLU  59  -2.908   9.698  -2.712
  425   1HG   GLU  59          1HG       GLU  59  -2.053  11.560  -4.172
  426   2HG   GLU  59          2HG       GLU  59  -3.556  12.443  -3.860
  427    H    GLU  60           H        GLU  60  -4.081  11.249  -6.524
  428    HA   GLU  60           HA       GLU  60  -6.508  12.674  -6.208
  429   1HB   GLU  60          1HB       GLU  60  -4.516  13.254  -7.680
  430   2HB   GLU  60          2HB       GLU  60  -5.076  12.015  -8.825
  431   1HG   GLU  60          1HG       GLU  60  -7.230  13.261  -9.063
  432   2HG   GLU  60          2HG       GLU  60  -6.661  14.462  -7.894
  433    H    GLU  61           H        GLU  61  -5.721   9.533  -7.608
  434    HA   GLU  61           HA       GLU  61  -8.541   8.967  -8.349
  435   1HB   GLU  61          1HB       GLU  61  -5.845   7.809  -9.197
  436   2HB   GLU  61          2HB       GLU  61  -7.416   7.179  -9.695
  437   1HG   GLU  61          1HG       GLU  61  -7.959   9.361 -10.767
  438   2HG   GLU  61          2HG       GLU  61  -6.381   9.996 -10.279
  439    H    LEU  62           H        LEU  62  -9.184   6.661  -7.797
  440    HA   LEU  62           HA       LEU  62  -7.567   5.312  -5.781
  441   1HB   LEU  62          1HB       LEU  62  -9.579   5.219  -4.265
  442   2HB   LEU  62          2HB       LEU  62  -8.691   6.729  -4.300
  443    HG   LEU  62           HG       LEU  62 -11.124   6.928  -4.171
  444   1HD1  LEU  62          1HD1      LEU  62 -11.384   8.883  -5.369
  445   2HD1  LEU  62          2HD1      LEU  62  -9.656   8.788  -5.003
  446   3HD1  LEU  62          3HD1      LEU  62 -10.257   8.415  -6.635
  447   1HD2  LEU  62          1HD2      LEU  62 -12.644   6.646  -5.946
  448   2HD2  LEU  62          2HD2      LEU  62 -11.368   6.258  -7.101
  449   3HD2  LEU  62          3HD2      LEU  62 -11.763   5.117  -5.790
  450    H    LEU  63           H        LEU  63  -8.425   3.231  -5.243
  451    HA   LEU  63           HA       LEU  63  -9.445   1.807  -7.558
  452   1HB   LEU  63          1HB       LEU  63  -8.877   0.894  -4.714
  453   2HB   LEU  63          2HB       LEU  63  -9.167  -0.157  -6.109
  454    HG   LEU  63           HG       LEU  63  -6.790   1.729  -5.751
  455   1HD1  LEU  63          1HD1      LEU  63  -6.851  -0.175  -4.176
  456   2HD1  LEU  63          2HD1      LEU  63  -7.030  -1.298  -5.542
  457   3HD1  LEU  63          3HD1      LEU  63  -5.539  -0.348  -5.351
  458   1HD2  LEU  63          1HD2      LEU  63  -5.827   0.492  -7.679
  459   2HD2  LEU  63          2HD2      LEU  63  -7.359  -0.377  -7.890
  460   3HD2  LEU  63          3HD2      LEU  63  -7.279   1.380  -8.153
  461    H    ASN  64           H        ASN  64 -11.625   2.154  -7.916
  462    HA   ASN  64           HA       ASN  64 -13.405   2.956  -5.783
  463   1HB   ASN  64          1HB       ASN  64 -13.575   3.924  -7.986
  464   2HB   ASN  64          2HB       ASN  64 -13.959   2.353  -8.702
  465   1HD2  ASN  64          1HD2      ASN  64 -17.374   2.454  -7.688
  466   2HD2  ASN  64          2HD2      ASN  64 -16.112   1.503  -8.449
  467    H    ALA  65           H        ALA  65 -13.639   0.122  -8.032
  468    HA   ALA  65           HA       ALA  65 -15.800  -0.978  -6.445
  469   1HB   ALA  65          1HB       ALA  65 -15.816  -2.712  -8.214
  470   2HB   ALA  65          2HB       ALA  65 -15.656  -1.109  -8.938
  471   3HB   ALA  65          3HB       ALA  65 -14.243  -2.175  -8.782
  472    HA   PRO  66           HA       PRO  66 -13.433  -3.756  -3.840
  473   1HB   PRO  66          1HB       PRO  66 -14.921  -6.067  -3.842
  474   2HB   PRO  66          2HB       PRO  66 -15.405  -4.594  -2.969
  475   1HG   PRO  66          1HG       PRO  66 -16.299  -5.481  -5.723
  476   2HG   PRO  66          2HG       PRO  66 -17.328  -4.947  -4.359
  477   1HD   PRO  66          1HD       PRO  66 -16.675  -3.237  -6.312
  478   2HD   PRO  66          2HD       PRO  66 -16.619  -2.675  -4.626
  479    H    GLY  67           H        GLY  67 -12.144  -5.809  -3.989
  480   1HA   GLY  67          1HA       GLY  67 -11.117  -7.526  -5.113
  481   2HA   GLY  67          2HA       GLY  67 -12.132  -7.261  -6.526
  482    H    GLU  68           H        GLU  68 -11.374  -4.434  -6.923
  483    HA   GLU  68           HA       GLU  68  -9.347  -4.580  -8.732
  484   1HB   GLU  68          1HB       GLU  68  -9.963  -2.276  -6.845
  485   2HB   GLU  68          2HB       GLU  68  -8.888  -2.170  -8.248
  486   1HG   GLU  68          1HG       GLU  68 -10.769  -2.841  -9.743
  487   2HG   GLU  68          2HG       GLU  68 -11.857  -2.871  -8.347
  488    H    THR  69           H        THR  69  -7.204  -4.979  -8.771
  489    HA   THR  69           HA       THR  69  -5.638  -5.034  -6.253
  490    HB   THR  69           HB       THR  69  -4.166  -6.493  -7.763
  491    HG1  THR  69           HG1      THR  69  -5.200  -5.702  -9.688
  492   1HG2  THR  69          1HG2      THR  69  -6.988  -7.496  -7.248
  493   2HG2  THR  69          2HG2      THR  69  -5.530  -8.483  -7.468
  494   3HG2  THR  69          3HG2      THR  69  -5.674  -7.425  -6.046
  495    OH   TYR  70           OH       TYR  70   1.953   1.553  -7.787
  496    H    TYR  70           H        TYR  70  -4.048  -3.581  -6.009
  497    HA   TYR  70           HA       TYR  70  -2.870  -2.220  -8.403
  498   1HB   TYR  70          1HB       TYR  70  -3.752  -0.636  -6.768
  499   2HB   TYR  70          2HB       TYR  70  -2.892  -1.430  -5.465
  500    HD1  TYR  70           HD2      TYR  70  -2.129  -0.053  -8.903
  501    HD2  TYR  70           HD1      TYR  70  -0.897  -0.335  -4.777
  502    HE1  TYR  70           HE2      TYR  70   0.022   1.035  -9.464
  503    HE2  TYR  70           HE1      TYR  70   1.228   0.796  -5.340
  504    HH   TYR  70           HH       TYR  70   2.516   1.729  -7.026
  505    H    VAL  71           H        VAL  71  -1.035  -3.249  -9.047
  506    HA   VAL  71           HA       VAL  71   0.462  -4.854  -7.074
  507    HB   VAL  71           HB       VAL  71   0.707  -4.874 -10.098
  508   1HG1  VAL  71          1HG1      VAL  71   1.695  -7.138  -9.624
  509   2HG1  VAL  71          2HG1      VAL  71   2.655  -5.823  -8.940
  510   3HG1  VAL  71          3HG1      VAL  71   1.596  -6.781  -7.887
  511   1HG2  VAL  71          1HG2      VAL  71  -1.013  -6.591  -8.260
  512   2HG2  VAL  71          2HG2      VAL  71  -1.586  -5.532  -9.565
  513   3HG2  VAL  71          3HG2      VAL  71  -0.655  -6.979  -9.955
  514    H    VAL  72           H        VAL  72   2.651  -4.471  -6.623
  515    HA   VAL  72           HA       VAL  72   4.157  -2.549  -8.242
  516    HB   VAL  72           HB       VAL  72   2.993  -1.070  -6.681
  517   1HG1  VAL  72          1HG1      VAL  72   3.374  -1.128  -4.297
  518   2HG1  VAL  72          2HG1      VAL  72   2.630  -2.659  -4.804
  519   3HG1  VAL  72          3HG1      VAL  72   4.367  -2.589  -4.420
  520   1HG2  VAL  72          1HG2      VAL  72   4.935   0.071  -5.730
  521   2HG2  VAL  72          2HG2      VAL  72   5.950  -1.348  -5.995
  522   3HG2  VAL  72          3HG2      VAL  72   5.269  -0.471  -7.385
  523    H    THR  73           H        THR  73   6.377  -2.926  -8.122
  524    HA   THR  73           HA       THR  73   7.179  -5.353  -6.587
  525    HB   THR  73           HB       THR  73   8.447  -4.173  -9.083
  526    HG1  THR  73           HG1      THR  73   6.273  -4.947  -9.388
  527   1HG2  THR  73          1HG2      THR  73   9.451  -6.433  -9.257
  528   2HG2  THR  73          2HG2      THR  73   9.932  -5.656  -7.737
  529   3HG2  THR  73          3HG2      THR  73   8.660  -6.898  -7.740
  530    H    LEU  74           H        LEU  74   8.567  -5.008  -4.895
  531    HA   LEU  74           HA       LEU  74  10.031  -2.376  -4.806
  532   1HB   LEU  74          1HB       LEU  74   9.410  -4.256  -2.522
  533   2HB   LEU  74          2HB       LEU  74  10.238  -2.690  -2.469
  534    HG   LEU  74           HG       LEU  74   7.313  -3.189  -3.126
  535   1HD1  LEU  74          1HD1      LEU  74   8.026  -3.219  -0.713
  536   2HD1  LEU  74          2HD1      LEU  74   8.678  -1.583  -0.913
  537   3HD1  LEU  74          3HD1      LEU  74   6.937  -1.868  -1.090
  538   1HD2  LEU  74          1HD2      LEU  74   8.895  -0.582  -3.242
  539   2HD2  LEU  74          2HD2      LEU  74   8.011  -1.351  -4.578
  540   3HD2  LEU  74          3HD2      LEU  74   7.123  -0.679  -3.210
  541    H    ASP  75           H        ASP  75  11.908  -2.625  -5.796
  542    HA   ASP  75           HA       ASP  75  13.508  -5.086  -5.527
  543   1HB   ASP  75          1HB       ASP  75  13.861  -2.513  -7.114
  544   2HB   ASP  75          2HB       ASP  75  15.056  -3.814  -7.052
  545    H    THR  76           H        THR  76  13.992  -1.559  -4.786
  546    HA   THR  76           HA       THR  76  16.535  -1.971  -3.648
  547    HB   THR  76           HB       THR  76  14.613   0.296  -3.018
  548    HG1  THR  76           HG1      THR  76  15.430   1.176  -4.989
  549   1HG2  THR  76          1HG2      THR  76  16.680   1.650  -3.026
  550   2HG2  THR  76          2HG2      THR  76  16.777   0.359  -1.819
  551   3HG2  THR  76          3HG2      THR  76  17.642   0.198  -3.365
  552    H    LYS  77           H        LYS  77  17.165  -2.626  -1.695
  553    HA   LYS  77           HA       LYS  77  15.401  -3.704   0.270
  554   1HB   LYS  77          1HB       LYS  77  18.354  -2.933   0.386
  555   2HB   LYS  77          2HB       LYS  77  17.518  -3.922   1.595
  556   1HG   LYS  77          1HG       LYS  77  17.149  -5.713   0.028
  557   2HG   LYS  77          2HG       LYS  77  17.673  -4.728  -1.336
  558   1HD   LYS  77          1HD       LYS  77  19.410  -6.313  -0.716
  559   2HD   LYS  77          2HD       LYS  77  19.955  -4.641  -0.559
  560   1HE   LYS  77          1HE       LYS  77  20.747  -6.054   1.305
  561   2HE   LYS  77          2HE       LYS  77  19.716  -4.744   1.888
  562   1HZ   LYS  77          1HZ       LYS  77  19.187  -6.841   2.898
  563   2HZ   LYS  77          2HZ       LYS  77  17.916  -6.285   2.008
  564   3HZ   LYS  77          3HZ       LYS  77  18.852  -7.515   1.430
  565    H    GLY  78           H        GLY  78  15.330  -3.086   2.543
  566   1HA   GLY  78          1HA       GLY  78  16.012  -1.232   4.135
  567   2HA   GLY  78          2HA       GLY  78  15.280  -0.118   2.970
  568    H    THR  79           H        THR  79  13.432   0.605   4.018
  569    HA   THR  79           HA       THR  79  11.325  -1.326   4.529
  570    HB   THR  79           HB       THR  79  12.346   0.653   6.630
  571    HG1  THR  79           HG1      THR  79  12.904  -1.984   6.086
  572   1HG2  THR  79          1HG2      THR  79  10.685  -0.460   8.091
  573   2HG2  THR  79          2HG2      THR  79   9.912   0.350   6.713
  574   3HG2  THR  79          3HG2      THR  79  10.112  -1.420   6.707
  575    OH   TYR  80           OH       TYR  80  12.125  -0.223  -2.321
  576    H    TYR  80           H        TYR  80   9.344  -0.369   4.143
  577    HA   TYR  80           HA       TYR  80   9.360   2.464   3.211
  578   1HB   TYR  80          1HB       TYR  80   8.027   0.024   1.963
  579   2HB   TYR  80          2HB       TYR  80   7.766   1.679   1.472
  580    HD1  TYR  80           HD1      TYR  80  10.649  -0.746   1.913
  581    HD2  TYR  80           HD2      TYR  80   8.720   2.208  -0.566
  582    HE1  TYR  80           HE1      TYR  80  12.299  -1.151   0.153
  583    HE2  TYR  80           HE2      TYR  80  10.245   1.612  -2.420
  584    HH   TYR  80           HH       TYR  80  12.745  -0.915  -2.060
  585    H    SER  81           H        SER  81   7.824   3.622   4.258
  586    HA   SER  81           HA       SER  81   5.631   2.180   5.677
  587   1HB   SER  81          1HB       SER  81   6.598   5.048   5.779
  588   2HB   SER  81          2HB       SER  81   5.222   4.408   6.703
  589    HG   SER  81           HG       SER  81   7.362   4.396   7.775
  590    H    PHE  82           H        PHE  82   3.388   2.585   5.150
  591    HA   PHE  82           HA       PHE  82   2.879   4.377   2.892
  592   1HB   PHE  82          1HB       PHE  82   1.627   2.623   1.654
  593   2HB   PHE  82          2HB       PHE  82   3.328   2.352   1.722
  594    HD1  PHE  82           HD2      PHE  82   0.122   1.417   3.463
  595    HD2  PHE  82           HD1      PHE  82   4.110   0.083   2.379
  596    HE1  PHE  82           HE2      PHE  82  -0.288  -0.757   4.519
  597    HE2  PHE  82           HE1      PHE  82   3.578  -2.125   3.280
  598    HZ   PHE  82           HZ       PHE  82   1.435  -2.542   4.450
  599    OH   TYR  83           OH       TYR  83   1.085  10.722   1.965
  600    H    TYR  83           H        TYR  83   0.620   4.602   2.375
  601    HA   TYR  83           HA       TYR  83  -1.306   3.982   4.483
  602   1HB   TYR  83          1HB       TYR  83  -1.839   6.324   4.991
  603   2HB   TYR  83          2HB       TYR  83  -0.196   5.912   5.469
  604    HD1  TYR  83           HD2      TYR  83   1.754   6.876   4.300
  605    HD2  TYR  83           HD1      TYR  83  -2.276   7.922   3.188
  606    HE1  TYR  83           HE2      TYR  83   2.590   8.916   3.186
  607    HE2  TYR  83           HE1      TYR  83  -1.430   9.970   2.069
  608    HH   TYR  83           HH       TYR  83   2.040  10.815   1.993
  609    H    CYS  84           H        CYS  84  -3.475   4.684   4.050
  610    HA   CYS  84           HA       CYS  84  -4.081   4.909   1.108
  611   1HB   CYS  84          1HB       CYS  84  -5.179   2.979   2.142
  612   2HB   CYS  84          2HB       CYS  84  -5.647   3.975   3.532
  613    H    SER  85           H        SER  85  -4.002   7.037   0.664
  614    HA   SER  85           HA       SER  85  -4.168   9.086   2.345
  615   1HB   SER  85          1HB       SER  85  -5.319  10.097  -0.068
  616   2HB   SER  85          2HB       SER  85  -3.667  10.187   0.524
  617    HG   SER  85           HG       SER  85  -4.756   7.982  -0.913
  618    HA   PRO  86           HA       PRO  86  -8.946   9.911   1.799
  619   1HB   PRO  86          1HB       PRO  86  -9.748   7.044   1.277
  620   2HB   PRO  86          2HB       PRO  86 -10.585   8.543   0.787
  621   1HG   PRO  86          1HG       PRO  86  -9.058   7.215  -1.016
  622   2HG   PRO  86          2HG       PRO  86  -8.923   8.993  -0.887
  623   1HD   PRO  86          1HD       PRO  86  -7.089   6.903   0.297
  624   2HD   PRO  86          2HD       PRO  86  -6.705   8.407  -0.578
  625    H    HIS  87           H        HIS  87  -7.368   7.229   3.469
  626    HA   HIS  87           HA       HIS  87  -9.164   7.662   5.819
  627   1HB   HIS  87          1HB       HIS  87  -8.111   5.020   4.791
  628   2HB   HIS  87          2HB       HIS  87  -9.082   5.248   6.244
  629    HD2  HIS  87           HD2      HIS  87 -11.563   6.750   5.501
  630    HE1  HIS  87           HE1      HIS  87 -12.070   4.215   2.130
  631    HE2  HIS  87           HE2      HIS  87 -13.224   5.847   3.693
  632    H    GLN  88           H        GLN  88  -6.321   8.583   4.888
  633    HA   GLN  88           HA       GLN  88  -4.447   7.264   6.569
  634   1HB   GLN  88          1HB       GLN  88  -3.878   8.817   4.732
  635   2HB   GLN  88          2HB       GLN  88  -4.501  10.181   5.673
  636   1HG   GLN  88          1HG       GLN  88  -2.782   9.736   7.428
  637   2HG   GLN  88          2HG       GLN  88  -2.207   8.340   6.496
  638   1HE2  GLN  88          1HE2      GLN  88   0.207  10.771   5.413
  639   2HE2  GLN  88          2HE2      GLN  88  -0.075   9.517   6.609
  640    H    GLY  89           H        GLY  89  -6.497  10.143   7.102
  641   1HA   GLY  89          1HA       GLY  89  -5.792  10.747   9.763
  642   2HA   GLY  89          2HA       GLY  89  -7.356  11.096   9.007
  643    H    ALA  90           H        ALA  90  -7.971   8.247   8.466
  644    HA   ALA  90           HA       ALA  90  -9.079   7.559  11.084
  645   1HB   ALA  90          1HB       ALA  90 -10.301   5.854   9.856
  646   2HB   ALA  90          2HB       ALA  90 -10.423   7.405   9.006
  647   3HB   ALA  90          3HB       ALA  90  -9.321   6.144   8.407
  648    H    GLY  91           H        GLY  91  -6.015   7.109   9.889
  649   1HA   GLY  91          1HA       GLY  91  -4.357   5.863  10.822
  650   2HA   GLY  91          2HA       GLY  91  -5.526   4.866  11.689
  651    H    MET  92           H        MET  92  -6.098   5.187   8.202
  652    HA   MET  92           HA       MET  92  -5.441   2.350   7.941
  653   1HB   MET  92          1HB       MET  92  -7.412   3.379   6.829
  654   2HB   MET  92          2HB       MET  92  -6.302   4.246   5.746
  655   1HG   MET  92          1HG       MET  92  -5.453   2.158   4.852
  656   2HG   MET  92          2HG       MET  92  -6.172   1.238   6.157
  657   1HE   MET  92          1HE       MET  92  -6.222   0.214   3.263
  658   2HE   MET  92          2HE       MET  92  -6.857  -0.583   4.717
  659   3HE   MET  92          3HE       MET  92  -7.871  -0.451   3.273
  660    H    VAL  93           H        VAL  93  -3.257   2.573   8.578
  661    HA   VAL  93           HA       VAL  93  -1.394   3.289   6.378
  662    HB   VAL  93           HB       VAL  93   0.178   4.192   7.911
  663   1HG1  VAL  93          1HG1      VAL  93  -1.743   5.693   7.199
  664   2HG1  VAL  93          2HG1      VAL  93  -2.493   5.382   8.769
  665   3HG1  VAL  93          3HG1      VAL  93  -0.915   6.179   8.688
  666   1HG2  VAL  93          1HG2      VAL  93  -0.149   2.720   9.841
  667   2HG2  VAL  93          2HG2      VAL  93  -0.292   4.412  10.338
  668   3HG2  VAL  93          3HG2      VAL  93  -1.754   3.424  10.137
  669    H    GLY  94           H        GLY  94   0.825   2.231   6.744
  670   1HA   GLY  94          1HA       GLY  94   1.062  -0.098   8.346
  671   2HA   GLY  94          2HA       GLY  94   0.570  -0.578   6.712
  672    H    LYS  95           H        LYS  95   2.912  -1.564   7.031
  673    HA   LYS  95           HA       LYS  95   4.777   0.150   5.579
  674   1HB   LYS  95          1HB       LYS  95   5.626  -1.188   8.180
  675   2HB   LYS  95          2HB       LYS  95   6.616  -0.159   7.138
  676   1HG   LYS  95          1HG       LYS  95   5.075   1.773   7.791
  677   2HG   LYS  95          2HG       LYS  95   4.328   0.669   8.963
  678   1HD   LYS  95          1HD       LYS  95   6.574   0.312  10.013
  679   2HD   LYS  95          2HD       LYS  95   7.292   1.400   8.810
  680   1HE   LYS  95          1HE       LYS  95   6.971   2.620  10.876
  681   2HE   LYS  95          2HE       LYS  95   5.884   3.272   9.641
  682   1HZ   LYS  95          1HZ       LYS  95   4.802   2.975  11.749
  683   2HZ   LYS  95          2HZ       LYS  95   4.111   2.001  10.617
  684   3HZ   LYS  95          3HZ       LYS  95   5.130   1.362  11.745
  685    H    VAL  96           H        VAL  96   6.788  -1.168   5.030
  686    HA   VAL  96           HA       VAL  96   6.453  -4.070   5.153
  687    HB   VAL  96           HB       VAL  96   5.139  -3.609   3.225
  688   1HG1  VAL  96          1HG1      VAL  96   6.074  -1.350   2.597
  689   2HG1  VAL  96          2HG1      VAL  96   7.515  -2.181   1.965
  690   3HG1  VAL  96          3HG1      VAL  96   5.928  -2.461   1.229
  691   1HG2  VAL  96          1HG2      VAL  96   7.822  -4.592   2.250
  692   2HG2  VAL  96          2HG2      VAL  96   6.629  -5.566   3.153
  693   3HG2  VAL  96          3HG2      VAL  96   6.216  -4.893   1.561
  694    H    THR  97           H        THR  97   8.368  -5.109   5.089
  695    HA   THR  97           HA       THR  97  10.843  -3.443   5.098
  696    HB   THR  97           HB       THR  97  10.957  -6.316   5.848
  697    HG1  THR  97           HG1      THR  97   8.921  -5.441   6.842
  698   1HG2  THR  97          1HG2      THR  97  12.410  -5.503   7.593
  699   2HG2  THR  97          2HG2      THR  97  12.880  -4.765   6.049
  700   3HG2  THR  97          3HG2      THR  97  11.965  -3.823   7.249
  701    H    VAL  98           H        VAL  98  12.413  -3.755   3.418
  702    HA   VAL  98           HA       VAL  98  11.876  -6.012   1.529
  703    HB   VAL  98           HB       VAL  98  13.054  -3.317   0.873
  704   1HG1  VAL  98          1HG1      VAL  98  12.181  -5.703  -0.842
  705   2HG1  VAL  98          2HG1      VAL  98  12.801  -4.163  -1.457
  706   3HG1  VAL  98          3HG1      VAL  98  13.864  -5.243  -0.539
  707   1HG2  VAL  98          1HG2      VAL  98  10.899  -3.063  -0.386
  708   2HG2  VAL  98          2HG2      VAL  98  10.297  -4.552   0.358
  709   3HG2  VAL  98          3HG2      VAL  98  10.630  -3.124   1.359
  710    H    ASN  99           H        ASN  99  13.280  -7.571   2.018
  711    HA   ASN  99           HA       ASN  99  16.122  -6.866   2.652
  712   1HB   ASN  99          1HB       ASN  99  16.171  -8.584   4.344
  713   2HB   ASN  99          2HB       ASN  99  14.930  -7.387   4.719
  714   1HD2  ASN  99          1HD2      ASN  99  13.009 -10.317   5.458
  715   2HD2  ASN  99          2HD2      ASN  99  13.981  -9.038   6.164
   
  Start of MODEL           8
 Raw file had 715 H/Q atoms
  Start of MODEL    8
    1    H    LEU   1           H        LEU   1   3.098  -8.473  -1.162
    2    HA   LEU   1           HA       LEU   1   2.912 -11.246  -0.933
    3   1HB   LEU   1          1HB       LEU   1   1.983  -9.787   1.571
    4   2HB   LEU   1          2HB       LEU   1   2.029 -11.534   1.302
    5    HG   LEU   1           HG       LEU   1   4.426  -9.695   1.668
    6   1HD1  LEU   1          1HD1      LEU   1   4.675 -10.862   3.829
    7   2HD1  LEU   1          2HD1      LEU   1   3.099 -10.052   3.723
    8   3HD1  LEU   1          3HD1      LEU   1   3.210 -11.810   3.495
    9   1HD2  LEU   1          1HD2      LEU   1   5.034 -11.582   0.216
   10   2HD2  LEU   1          2HD2      LEU   1   5.786 -11.688   1.817
   11   3HD2  LEU   1          3HD2      LEU   1   4.387 -12.721   1.423
   12    H    GLU   2           H        GLU   2   0.383 -11.609  -0.139
   13    HA   GLU   2           HA       GLU   2  -1.258  -9.799  -1.808
   14   1HB   GLU   2          1HB       GLU   2  -1.780 -12.479  -0.457
   15   2HB   GLU   2          2HB       GLU   2  -3.051 -11.487  -1.198
   16   1HG   GLU   2          1HG       GLU   2  -1.837 -11.412  -3.317
   17   2HG   GLU   2          2HG       GLU   2  -0.537 -12.413  -2.654
   18    H    VAL   3           H        VAL   3  -1.573  -7.994  -0.790
   19    HA   VAL   3           HA       VAL   3  -2.157  -7.944   2.130
   20    HB   VAL   3           HB       VAL   3  -1.480  -5.657   0.258
   21   1HG1  VAL   3          1HG1      VAL   3  -1.038  -4.463   2.434
   22   2HG1  VAL   3          2HG1      VAL   3  -2.743  -4.897   2.229
   23   3HG1  VAL   3          3HG1      VAL   3  -1.702  -5.854   3.302
   24   1HG2  VAL   3          1HG2      VAL   3   0.304  -7.129   2.244
   25   2HG2  VAL   3          2HG2      VAL   3   0.452  -7.176   0.474
   26   3HG2  VAL   3          3HG2      VAL   3   0.726  -5.662   1.335
   27    H    LEU   4           H        LEU   4  -4.180  -7.694   2.822
   28    HA   LEU   4           HA       LEU   4  -6.321  -7.053   0.892
   29   1HB   LEU   4          1HB       LEU   4  -6.400  -7.813   3.822
   30   2HB   LEU   4          2HB       LEU   4  -7.792  -7.638   2.771
   31    HG   LEU   4           HG       LEU   4  -5.582  -9.729   2.543
   32   1HD1  LEU   4          1HD1      LEU   4  -7.250 -10.063   4.355
   33   2HD1  LEU   4          2HD1      LEU   4  -8.559  -9.960   3.156
   34   3HD1  LEU   4          3HD1      LEU   4  -7.391 -11.297   3.088
   35   1HD2  LEU   4          1HD2      LEU   4  -7.044 -10.724   0.746
   36   2HD2  LEU   4          2HD2      LEU   4  -7.994  -9.223   0.738
   37   3HD2  LEU   4          3HD2      LEU   4  -6.276  -9.212   0.265
   38    H    LEU   5           H        LEU   5  -6.850  -5.024   0.562
   39    HA   LEU   5           HA       LEU   5  -6.202  -2.848   2.440
   40   1HB   LEU   5          1HB       LEU   5  -7.444  -3.076  -0.318
   41   2HB   LEU   5          2HB       LEU   5  -7.592  -1.584   0.601
   42    HG   LEU   5           HG       LEU   5  -4.906  -2.825  -0.046
   43   1HD1  LEU   5          1HD1      LEU   5  -4.854  -1.095  -1.893
   44   2HD1  LEU   5          2HD1      LEU   5  -6.086  -2.346  -2.156
   45   3HD1  LEU   5          3HD1      LEU   5  -6.551  -0.741  -1.560
   46   1HD2  LEU   5          1HD2      LEU   5  -5.816  -0.016   0.787
   47   2HD2  LEU   5          2HD2      LEU   5  -4.916  -1.156   1.798
   48   3HD2  LEU   5          3HD2      LEU   5  -4.170  -0.474   0.343
   49    H    GLY   6           H        GLY   6  -7.461  -3.045   4.249
   50   1HA   GLY   6          1HA       GLY   6  -9.463  -2.410   5.316
   51   2HA   GLY   6          2HA       GLY   6 -10.411  -3.015   3.954
   52    H    SER   7           H        SER   7 -11.592  -4.302   5.610
   53    HA   SER   7           HA       SER   7 -10.415  -6.964   5.871
   54   1HB   SER   7          1HB       SER   7 -10.862  -6.984   8.350
   55   2HB   SER   7          2HB       SER   7  -9.570  -5.870   7.899
   56    HG   SER   7           HG       SER   7 -11.099  -4.159   7.976
   57    H    GLY   8           H        GLY   8 -12.124  -8.510   6.157
   58   1HA   GLY   8          1HA       GLY   8 -14.520  -8.035   4.846
   59   2HA   GLY   8          2HA       GLY   8 -14.262  -9.329   6.028
   60    H    ASP   9           H        ASP   9 -13.815  -7.590   8.294
   61    HA   ASP   9           HA       ASP   9 -16.564  -7.178   9.113
   62   1HB   ASP   9          1HB       ASP   9 -15.578  -6.561  11.256
   63   2HB   ASP   9          2HB       ASP   9 -14.833  -8.041  10.637
   64    H    GLY  10           H        GLY  10 -14.531  -5.194   7.278
   65   1HA   GLY  10          1HA       GLY  10 -15.239  -3.151   6.417
   66   2HA   GLY  10          2HA       GLY  10 -16.216  -2.820   7.846
   67    H    SER  11           H        SER  11 -13.544  -3.728   9.434
   68    HA   SER  11           HA       SER  11 -12.802  -1.101  10.048
   69   1HB   SER  11          1HB       SER  11 -12.407  -2.924  11.574
   70   2HB   SER  11          2HB       SER  11 -11.171  -3.625  10.501
   71    HG   SER  11           HG       SER  11 -10.288  -2.288  12.166
   72    H    LEU  12           H        LEU  12 -11.339   0.286   9.397
   73    HA   LEU  12           HA       LEU  12 -10.168   0.047   6.742
   74   1HB   LEU  12          1HB       LEU  12 -10.141   2.236   8.863
   75   2HB   LEU  12          2HB       LEU  12  -9.549   2.420   7.215
   76    HG   LEU  12           HG       LEU  12 -12.449   1.772   7.938
   77   1HD1  LEU  12          1HD1      LEU  12 -11.826   3.996   8.730
   78   2HD1  LEU  12          2HD1      LEU  12 -11.102   4.389   7.159
   79   3HD1  LEU  12          3HD1      LEU  12 -12.859   4.141   7.298
   80   1HD2  LEU  12          1HD2      LEU  12 -11.939   0.964   5.708
   81   2HD2  LEU  12          2HD2      LEU  12 -12.853   2.466   5.561
   82   3HD2  LEU  12          3HD2      LEU  12 -11.095   2.474   5.305
   83    H    VAL  13           H        VAL  13  -8.703  -1.763   7.316
   84    HA   VAL  13           HA       VAL  13  -6.114  -0.687   8.277
   85    HB   VAL  13           HB       VAL  13  -6.860  -1.714  10.189
   86   1HG1  VAL  13          1HG1      VAL  13  -7.802  -4.070  10.297
   87   2HG1  VAL  13          2HG1      VAL  13  -8.859  -2.938   9.457
   88   3HG1  VAL  13          3HG1      VAL  13  -7.861  -4.074   8.522
   89   1HG2  VAL  13          1HG2      VAL  13  -5.310  -3.969   8.943
   90   2HG2  VAL  13          2HG2      VAL  13  -4.594  -2.460   9.581
   91   3HG2  VAL  13          3HG2      VAL  13  -5.457  -3.567  10.656
   92    H    PHE  14           H        PHE  14  -4.353  -1.916   7.581
   93    HA   PHE  14           HA       PHE  14  -4.710  -3.237   4.896
   94   1HB   PHE  14          1HB       PHE  14  -2.340  -1.971   6.334
   95   2HB   PHE  14          2HB       PHE  14  -2.124  -3.106   5.021
   96    HD1  PHE  14           HD2      PHE  14  -3.434   0.261   5.880
   97    HD2  PHE  14           HD1      PHE  14  -2.249  -2.428   2.714
   98    HE1  PHE  14           HE2      PHE  14  -3.326   2.151   4.262
   99    HE2  PHE  14           HE1      PHE  14  -1.806  -0.522   1.270
  100    HZ   PHE  14           HZ       PHE  14  -2.471   1.778   1.969
  101    H    VAL  15           H        VAL  15  -4.651  -5.508   4.974
  102    HA   VAL  15           HA       VAL  15  -3.392  -6.748   7.406
  103    HB   VAL  15           HB       VAL  15  -5.774  -7.766   5.871
  104   1HG1  VAL  15          1HG1      VAL  15  -4.402  -9.573   6.848
  105   2HG1  VAL  15          2HG1      VAL  15  -4.404  -8.735   8.415
  106   3HG1  VAL  15          3HG1      VAL  15  -5.915  -9.377   7.739
  107   1HG2  VAL  15          1HG2      VAL  15  -6.403  -5.779   7.159
  108   2HG2  VAL  15          2HG2      VAL  15  -7.018  -7.236   7.944
  109   3HG2  VAL  15          3HG2      VAL  15  -5.578  -6.427   8.595
  110    HA   PRO  16           HA       PRO  16  -1.544  -7.747   7.891
  111   1HB   PRO  16          1HB       PRO  16   1.125  -7.745   7.435
  112   2HB   PRO  16          2HB       PRO  16   0.154  -9.240   7.485
  113   1HG   PRO  16          1HG       PRO  16   0.982  -7.663   5.022
  114   2HG   PRO  16          2HG       PRO  16   1.181  -9.418   5.308
  115   1HD   PRO  16          1HD       PRO  16  -0.918  -8.438   3.902
  116   2HD   PRO  16          2HD       PRO  16  -1.159  -9.799   5.026
  117    H    SER  17           H        SER  17  -0.533  -5.901   8.934
  118    HA   SER  17           HA       SER  17  -0.764  -3.383   7.464
  119   1HB   SER  17          1HB       SER  17  -0.199  -2.587   9.853
  120   2HB   SER  17          2HB       SER  17  -1.716  -3.488   9.649
  121    HG   SER  17           HG       SER  17  -0.473  -4.306  11.414
  122    H    GLU  18           H        GLU  18   1.580  -4.917   9.591
  123    HA   GLU  18           HA       GLU  18   3.879  -3.687   8.124
  124   1HB   GLU  18          1HB       GLU  18   3.628  -4.681  10.982
  125   2HB   GLU  18          2HB       GLU  18   5.136  -4.149  10.209
  126   1HG   GLU  18          1HG       GLU  18   4.067  -1.978   9.643
  127   2HG   GLU  18          2HG       GLU  18   2.619  -2.451  10.547
  128    H    PHE  19           H        PHE  19   5.131  -5.008   6.962
  129    HA   PHE  19           HA       PHE  19   5.453  -7.831   7.745
  130   1HB   PHE  19          1HB       PHE  19   4.651  -8.815   5.713
  131   2HB   PHE  19          2HB       PHE  19   3.373  -7.869   6.425
  132    HD1  PHE  19           HD2      PHE  19   2.830  -5.547   5.452
  133    HD2  PHE  19           HD1      PHE  19   5.357  -8.431   3.438
  134    HE1  PHE  19           HE2      PHE  19   2.269  -4.537   3.269
  135    HE2  PHE  19           HE1      PHE  19   4.839  -7.350   1.275
  136    HZ   PHE  19           HZ       PHE  19   3.283  -5.421   1.181
  137    H    SER  20           H        SER  20   6.761  -8.961   5.754
  138    HA   SER  20           HA       SER  20   8.908  -7.170   4.847
  139   1HB   SER  20          1HB       SER  20   9.333  -9.801   6.337
  140   2HB   SER  20          2HB       SER  20  10.595  -8.712   5.762
  141    HG   SER  20           HG       SER  20   9.663  -7.117   7.278
  142    H    VAL  21           H        VAL  21   9.874  -7.987   2.833
  143    HA   VAL  21           HA       VAL  21   8.948 -10.539   1.846
  144    HB   VAL  21           HB       VAL  21   7.039  -9.018   1.442
  145   1HG1  VAL  21          1HG1      VAL  21   8.852  -7.443  -0.439
  146   2HG1  VAL  21          2HG1      VAL  21   7.143  -7.161  -0.080
  147   3HG1  VAL  21          3HG1      VAL  21   8.368  -6.877   1.171
  148   1HG2  VAL  21          1HG2      VAL  21   6.787  -9.507  -0.941
  149   2HG2  VAL  21          2HG2      VAL  21   8.536  -9.826  -1.044
  150   3HG2  VAL  21          3HG2      VAL  21   7.497 -10.880  -0.059
  151    HA   PRO  22           HA       PRO  22  13.017 -10.111   0.036
  152   1HB   PRO  22          1HB       PRO  22  11.944 -11.785  -2.214
  153   2HB   PRO  22          2HB       PRO  22  13.467 -11.973  -1.306
  154   1HG   PRO  22          1HG       PRO  22  11.344 -13.573  -0.752
  155   2HG   PRO  22          2HG       PRO  22  12.299 -12.863   0.585
  156   1HD   PRO  22          1HD       PRO  22   9.656 -11.890  -0.528
  157   2HD   PRO  22          2HD       PRO  22  10.177 -12.128   1.164
  158    H    SER  23           H        SER  23  14.095  -8.876  -1.521
  159    HA   SER  23           HA       SER  23  12.748  -6.808  -2.890
  160   1HB   SER  23          1HB       SER  23  15.487  -8.102  -3.253
  161   2HB   SER  23          2HB       SER  23  14.967  -6.709  -4.205
  162    HG   SER  23           HG       SER  23  15.104  -5.447  -2.558
  163    H    GLY  24           H        GLY  24  11.953  -6.570  -4.963
  164   1HA   GLY  24          1HA       GLY  24  11.680  -7.057  -7.215
  165   2HA   GLY  24          2HA       GLY  24  12.498  -8.607  -7.033
  166    H    GLU  25           H        GLU  25  10.372  -8.920  -4.543
  167    HA   GLU  25           HA       GLU  25   8.542 -10.465  -6.141
  168   1HB   GLU  25          1HB       GLU  25   8.554  -9.608  -3.234
  169   2HB   GLU  25          2HB       GLU  25   7.411 -10.767  -3.915
  170   1HG   GLU  25          1HG       GLU  25  10.449 -11.110  -3.866
  171   2HG   GLU  25          2HG       GLU  25   9.301 -11.918  -2.794
  172    H    LYS  26           H        LYS  26   6.330 -10.155  -6.432
  173    HA   LYS  26           HA       LYS  26   5.517  -7.349  -6.814
  174   1HB   LYS  26          1HB       LYS  26   4.508 -10.057  -7.745
  175   2HB   LYS  26          2HB       LYS  26   3.523  -8.604  -7.874
  176   1HG   LYS  26          1HG       LYS  26   4.636  -9.025  -9.957
  177   2HG   LYS  26          2HG       LYS  26   5.171  -7.491  -9.268
  178   1HD   LYS  26          1HD       LYS  26   7.284  -8.511  -8.522
  179   2HD   LYS  26          2HD       LYS  26   6.750 -10.106  -9.087
  180   1HE   LYS  26          1HE       LYS  26   7.294  -7.625 -10.787
  181   2HE   LYS  26          2HE       LYS  26   8.331  -9.051 -10.636
  182   1HZ   LYS  26          1HZ       LYS  26   7.059  -9.191 -12.605
  183   2HZ   LYS  26          2HZ       LYS  26   6.520 -10.354 -11.568
  184   3HZ   LYS  26          3HZ       LYS  26   5.639  -8.979 -11.805
  185    H    ILE  27           H        ILE  27   4.510  -6.369  -5.147
  186    HA   ILE  27           HA       ILE  27   3.002  -7.897  -3.131
  187    HB   ILE  27           HB       ILE  27   3.460  -4.912  -3.463
  188   1HG1  ILE  27          1HG1      ILE  27   4.911  -6.836  -1.580
  189   2HG1  ILE  27          2HG1      ILE  27   5.588  -6.245  -3.102
  190   1HG2  ILE  27          1HG2      ILE  27   2.740  -4.737  -1.107
  191   2HG2  ILE  27          2HG2      ILE  27   1.468  -5.441  -2.086
  192   3HG2  ILE  27          3HG2      ILE  27   2.459  -6.484  -1.049
  193   1HD1  ILE  27          1HD1      ILE  27   4.893  -4.523  -0.705
  194   2HD1  ILE  27          2HD1      ILE  27   6.491  -4.918  -1.354
  195   3HD1  ILE  27          3HD1      ILE  27   5.382  -3.902  -2.296
  196    H    VAL  28           H        VAL  28   0.772  -7.904  -3.081
  197    HA   VAL  28           HA       VAL  28  -0.710  -6.549  -5.320
  198    HB   VAL  28           HB       VAL  28  -1.201  -9.273  -4.063
  199   1HG1  VAL  28          1HG1      VAL  28  -2.902  -9.517  -5.855
  200   2HG1  VAL  28          2HG1      VAL  28  -3.315  -8.204  -4.749
  201   3HG1  VAL  28          3HG1      VAL  28  -2.624  -7.835  -6.343
  202   1HG2  VAL  28          1HG2      VAL  28  -0.185  -8.562  -6.840
  203   2HG2  VAL  28          2HG2      VAL  28   0.761  -9.340  -5.553
  204   3HG2  VAL  28          3HG2      VAL  28  -0.614 -10.185  -6.271
  205    H    PHE  29           H        PHE  29  -1.697  -4.854  -4.343
  206    HA   PHE  29           HA       PHE  29  -2.873  -5.144  -1.622
  207   1HB   PHE  29          1HB       PHE  29  -2.543  -2.767  -3.450
  208   2HB   PHE  29          2HB       PHE  29  -3.295  -2.738  -1.864
  209    HD1  PHE  29           HD2      PHE  29  -1.983  -3.163   0.202
  210    HD2  PHE  29           HD1      PHE  29  -0.133  -2.761  -3.670
  211    HE1  PHE  29           HE2      PHE  29   0.176  -2.567   1.298
  212    HE2  PHE  29           HE1      PHE  29   2.031  -2.205  -2.551
  213    HZ   PHE  29           HZ       PHE  29   2.179  -2.093  -0.094
  214    H    LYS  30           H        LYS  30  -4.771  -6.291  -1.799
  215    HA   LYS  30           HA       LYS  30  -6.651  -5.850  -4.058
  216   1HB   LYS  30          1HB       LYS  30  -5.858  -8.119  -3.442
  217   2HB   LYS  30          2HB       LYS  30  -6.540  -7.896  -1.829
  218   1HG   LYS  30          1HG       LYS  30  -8.823  -7.633  -2.889
  219   2HG   LYS  30          2HG       LYS  30  -8.070  -7.987  -4.455
  220   1HD   LYS  30          1HD       LYS  30  -7.342 -10.191  -3.636
  221   2HD   LYS  30          2HD       LYS  30  -8.043  -9.857  -2.043
  222   1HE   LYS  30          1HE       LYS  30  -9.616  -9.960  -4.665
  223   2HE   LYS  30          2HE       LYS  30  -9.514 -11.276  -3.482
  224   1HZ   LYS  30          1HZ       LYS  30 -10.513  -9.821  -1.865
  225   2HZ   LYS  30          2HZ       LYS  30 -10.649  -8.613  -2.979
  226   3HZ   LYS  30          3HZ       LYS  30 -11.487 -10.015  -3.178
  227    H    ASN  31           H        ASN  31  -8.461  -4.596  -3.829
  228    HA   ASN  31           HA       ASN  31  -9.296  -3.403  -1.333
  229   1HB   ASN  31          1HB       ASN  31 -10.463  -3.615  -4.111
  230   2HB   ASN  31          2HB       ASN  31 -11.504  -3.156  -2.761
  231   1HD2  ASN  31          1HD2      ASN  31 -10.600   0.123  -3.811
  232   2HD2  ASN  31          2HD2      ASN  31 -11.695  -1.184  -4.213
  233    H    ASN  32           H        ASN  32  -9.790  -4.708   0.362
  234    HA   ASN  32           HA       ASN  32 -11.306  -7.177  -0.009
  235   1HB   ASN  32          1HB       ASN  32  -9.533  -6.873   1.672
  236   2HB   ASN  32          2HB       ASN  32 -10.513  -5.711   2.543
  237   1HD2  ASN  32          1HD2      ASN  32 -12.784  -8.935   2.962
  238   2HD2  ASN  32          2HD2      ASN  32 -12.954  -7.829   1.622
  239    H    ALA  33           H        ALA  33 -11.819  -4.157   1.763
  240    HA   ALA  33           HA       ALA  33 -14.563  -3.725   1.100
  241   1HB   ALA  33          1HB       ALA  33 -13.997  -5.011   3.792
  242   2HB   ALA  33          2HB       ALA  33 -15.041  -5.671   2.523
  243   3HB   ALA  33          3HB       ALA  33 -15.519  -4.200   3.379
  244    H    GLY  34           H        GLY  34 -15.353  -1.963   2.949
  245   1HA   GLY  34          1HA       GLY  34 -14.910   0.058   3.945
  246   2HA   GLY  34          2HA       GLY  34 -13.334  -0.589   4.426
  247    H    PHE  35           H        PHE  35 -14.076  -0.592   1.044
  248    HA   PHE  35           HA       PHE  35 -11.989   1.301   0.280
  249   1HB   PHE  35          1HB       PHE  35 -12.682   0.546  -1.995
  250   2HB   PHE  35          2HB       PHE  35 -12.352  -0.742  -0.896
  251    HD1  PHE  35           HD1      PHE  35 -15.209   1.370  -2.108
  252    HD2  PHE  35           HD2      PHE  35 -13.848  -2.472  -0.720
  253    HE1  PHE  35           HE1      PHE  35 -17.521   0.460  -2.351
  254    HE2  PHE  35           HE2      PHE  35 -16.205  -3.323  -0.765
  255    HZ   PHE  35           HZ       PHE  35 -18.010  -1.889  -1.681
  256    HA   PRO  36           HA       PRO  36 -12.438   2.514  -2.261
  257   1HB   PRO  36          1HB       PRO  36 -12.063   5.437  -1.830
  258   2HB   PRO  36          2HB       PRO  36 -12.194   4.573  -3.386
  259   1HG   PRO  36          1HG       PRO  36 -14.301   5.984  -2.444
  260   2HG   PRO  36          2HG       PRO  36 -14.594   4.311  -3.018
  261   1HD   PRO  36          1HD       PRO  36 -14.090   5.209  -0.148
  262   2HD   PRO  36          2HD       PRO  36 -15.438   4.231  -0.792
  263    H    HIS  37           H        HIS  37 -10.153   2.644  -2.647
  264    HA   HIS  37           HA       HIS  37  -8.482   3.597  -0.442
  265   1HB   HIS  37          1HB       HIS  37  -8.439   0.718  -1.419
  266   2HB   HIS  37          2HB       HIS  37  -7.335   1.387  -0.232
  267    HD2  HIS  37           HD2      HIS  37 -10.037  -0.954  -0.327
  268    HE1  HIS  37           HE1      HIS  37 -10.213   0.636   3.599
  269    HE2  HIS  37           HE2      HIS  37 -10.825  -1.336   2.100
  270    H    ASN  38           H        ASN  38  -6.098   3.131  -0.929
  271    HA   ASN  38           HA       ASN  38  -5.233   2.607  -3.556
  272   1HB   ASN  38          1HB       ASN  38  -4.462   4.715  -4.275
  273   2HB   ASN  38          2HB       ASN  38  -6.145   5.002  -3.840
  274   1HD2  ASN  38          1HD2      ASN  38  -4.084   7.800  -2.476
  275   2HD2  ASN  38          2HD2      ASN  38  -4.469   7.188  -4.090
  276    H    VAL  39           H        VAL  39  -2.661   3.420  -3.389
  277    HA   VAL  39           HA       VAL  39  -1.764   3.094  -0.581
  278    HB   VAL  39           HB       VAL  39  -0.766   1.378  -2.892
  279   1HG1  VAL  39          1HG1      VAL  39   0.012   1.462   0.059
  280   2HG1  VAL  39          2HG1      VAL  39   0.621   0.315  -1.148
  281   3HG1  VAL  39          3HG1      VAL  39   1.033   2.022  -1.288
  282   1HG2  VAL  39          1HG2      VAL  39  -2.456   0.779  -0.433
  283   2HG2  VAL  39          2HG2      VAL  39  -2.888   0.477  -2.130
  284   3HG2  VAL  39          3HG2      VAL  39  -1.619  -0.473  -1.348
  285    H    VAL  40           H        VAL  40  -0.590   4.823  -0.206
  286    HA   VAL  40           HA       VAL  40   1.210   5.879  -2.316
  287    HB   VAL  40           HB       VAL  40  -0.278   7.402  -0.133
  288   1HG1  VAL  40          1HG1      VAL  40   0.700   9.417  -1.244
  289   2HG1  VAL  40          2HG1      VAL  40   1.958   8.380  -0.559
  290   3HG1  VAL  40          3HG1      VAL  40   1.648   8.368  -2.306
  291   1HG2  VAL  40          1HG2      VAL  40  -1.347   8.555  -2.117
  292   2HG2  VAL  40          2HG2      VAL  40  -0.602   7.338  -3.164
  293   3HG2  VAL  40          3HG2      VAL  40  -1.804   6.851  -1.951
  294    H    PHE  41           H        PHE  41   3.298   5.940  -1.737
  295    HA   PHE  41           HA       PHE  41   4.037   4.746   0.851
  296   1HB   PHE  41          1HB       PHE  41   5.481   5.346  -1.718
  297   2HB   PHE  41          2HB       PHE  41   6.330   4.893  -0.265
  298    HD1  PHE  41           HD1      PHE  41   5.997   2.710   0.846
  299    HD2  PHE  41           HD2      PHE  41   4.024   3.617  -2.860
  300    HE1  PHE  41           HE1      PHE  41   5.771   0.279   0.374
  301    HE2  PHE  41           HE2      PHE  41   3.577   1.204  -3.211
  302    HZ   PHE  41           HZ       PHE  41   4.490  -0.474  -1.622
  303    H    ASP  42           H        ASP  42   4.848   5.865   2.530
  304    HA   ASP  42           HA       ASP  42   4.696   8.764   2.495
  305   1HB   ASP  42          1HB       ASP  42   4.049   7.616   4.503
  306   2HB   ASP  42          2HB       ASP  42   5.591   6.744   4.559
  307    H    GLU  43           H        GLU  43   6.182   9.698   1.208
  308    HA   GLU  43           HA       GLU  43   8.723   9.105   0.507
  309   1HB   GLU  43          1HB       GLU  43   9.080  11.544   0.247
  310   2HB   GLU  43          2HB       GLU  43   7.568  10.938  -0.438
  311   1HG   GLU  43          1HG       GLU  43   6.319  11.793   1.569
  312   2HG   GLU  43          2HG       GLU  43   7.841  12.428   2.215
  313    H    ASP  44           H        ASP  44   7.831  10.530   3.648
  314    HA   ASP  44           HA       ASP  44  10.509  11.135   4.463
  315   1HB   ASP  44          1HB       ASP  44   8.517  12.214   5.427
  316   2HB   ASP  44          2HB       ASP  44   7.998  10.666   6.120
  317    H    GLU  45           H        GLU  45   8.688   8.115   4.517
  318    HA   GLU  45           HA       GLU  45  10.908   6.806   6.036
  319   1HB   GLU  45          1HB       GLU  45   7.939   6.324   6.394
  320   2HB   GLU  45          2HB       GLU  45   9.261   5.423   7.167
  321   1HG   GLU  45          1HG       GLU  45  10.007   7.559   8.258
  322   2HG   GLU  45          2HG       GLU  45   8.591   8.371   7.571
  323    H    ILE  46           H        ILE  46  11.362   6.735   3.550
  324    HA   ILE  46           HA       ILE  46  11.094   3.946   2.799
  325    HB   ILE  46           HB       ILE  46  10.607   4.517   0.439
  326   1HG1  ILE  46          1HG1      ILE  46   9.764   7.259   1.413
  327   2HG1  ILE  46          2HG1      ILE  46  11.265   6.943   0.541
  328   1HG2  ILE  46          1HG2      ILE  46   8.265   5.406   2.146
  329   2HG2  ILE  46          2HG2      ILE  46   8.270   4.650   0.538
  330   3HG2  ILE  46          3HG2      ILE  46   8.769   3.726   1.928
  331   1HD1  ILE  46          1HD1      ILE  46   9.774   7.699  -1.104
  332   2HD1  ILE  46          2HD1      ILE  46   9.890   5.953  -1.346
  333   3HD1  ILE  46          3HD1      ILE  46   8.457   6.651  -0.549
  334    HA   PRO  47           HA       PRO  47  15.313   5.013   1.726
  335   1HB   PRO  47          1HB       PRO  47  15.005   3.470  -0.849
  336   2HB   PRO  47          2HB       PRO  47  16.249   3.333   0.422
  337   1HG   PRO  47          1HG       PRO  47  14.257   1.483   0.192
  338   2HG   PRO  47          2HG       PRO  47  14.778   2.065   1.801
  339   1HD   PRO  47          1HD       PRO  47  12.373   3.026   0.202
  340   2HD   PRO  47          2HD       PRO  47  12.485   2.529   1.912
  341    H    ALA  48           H        ALA  48  15.279   7.156   1.247
  342    HA   ALA  48           HA       ALA  48  13.790   8.746  -0.266
  343   1HB   ALA  48          1HB       ALA  48  15.658  10.345  -0.332
  344   2HB   ALA  48          2HB       ALA  48  15.554   9.523   1.237
  345   3HB   ALA  48          3HB       ALA  48  16.801   9.043   0.062
  346    H    GLY  49           H        GLY  49  16.584   7.029  -1.682
  347   1HA   GLY  49          1HA       GLY  49  16.670   8.264  -4.199
  348   2HA   GLY  49          2HA       GLY  49  17.142   6.590  -3.866
  349    H    VAL  50           H        VAL  50  14.418   5.737  -3.017
  350    HA   VAL  50           HA       VAL  50  13.393   5.207  -5.709
  351    HB   VAL  50           HB       VAL  50  12.377   4.243  -3.008
  352   1HG1  VAL  50          1HG1      VAL  50  10.684   4.095  -4.804
  353   2HG1  VAL  50          2HG1      VAL  50  11.870   3.345  -5.888
  354   3HG1  VAL  50          3HG1      VAL  50  11.315   2.480  -4.443
  355   1HG2  VAL  50          1HG2      VAL  50  14.275   2.949  -5.024
  356   2HG2  VAL  50          2HG2      VAL  50  14.691   3.467  -3.376
  357   3HG2  VAL  50          3HG2      VAL  50  13.549   2.143  -3.621
  358    H    ASP  51           H        ASP  51  12.561   7.084  -6.476
  359    HA   ASP  51           HA       ASP  51  11.096   9.072  -5.234
  360   1HB   ASP  51          1HB       ASP  51  11.861   9.306  -7.505
  361   2HB   ASP  51          2HB       ASP  51  10.870   7.937  -8.040
  362    H    ALA  52           H        ALA  52   9.394   8.881  -3.983
  363    HA   ALA  52           HA       ALA  52   7.662   6.833  -3.512
  364   1HB   ALA  52          1HB       ALA  52   6.153   8.497  -2.519
  365   2HB   ALA  52          2HB       ALA  52   7.844   8.836  -2.110
  366   3HB   ALA  52          3HB       ALA  52   7.023   9.804  -3.352
  367    H    VAL  53           H        VAL  53   7.219   9.450  -5.911
  368    HA   VAL  53           HA       VAL  53   4.599   8.859  -6.717
  369    HB   VAL  53           HB       VAL  53   6.882   9.989  -8.383
  370   1HG1  VAL  53          1HG1      VAL  53   3.863  10.143  -8.762
  371   2HG1  VAL  53          2HG1      VAL  53   5.048  11.123  -9.649
  372   3HG1  VAL  53          3HG1      VAL  53   5.035   9.373  -9.856
  373   1HG2  VAL  53          1HG2      VAL  53   4.774  11.364  -6.652
  374   2HG2  VAL  53          2HG2      VAL  53   6.516  11.314  -6.313
  375   3HG2  VAL  53          3HG2      VAL  53   5.923  12.191  -7.723
  376    H    LYS  54           H        LYS  54   7.599   7.131  -7.559
  377    HA   LYS  54           HA       LYS  54   6.344   5.783  -9.844
  378   1HB   LYS  54          1HB       LYS  54   8.949   5.231  -8.375
  379   2HB   LYS  54          2HB       LYS  54   8.402   4.431  -9.858
  380   1HG   LYS  54          1HG       LYS  54   8.296   6.627 -11.019
  381   2HG   LYS  54          2HG       LYS  54   8.899   7.425  -9.557
  382   1HD   LYS  54          1HD       LYS  54  10.973   6.030  -9.674
  383   2HD   LYS  54          2HD       LYS  54  10.366   5.283 -11.165
  384   1HE   LYS  54          1HE       LYS  54  10.315   7.519 -12.263
  385   2HE   LYS  54          2HE       LYS  54  10.931   8.263 -10.775
  386   1HZ   LYS  54          1HZ       LYS  54  12.898   6.924 -10.999
  387   2HZ   LYS  54          2HZ       LYS  54  12.325   6.240 -12.385
  388   3HZ   LYS  54          3HZ       LYS  54  12.665   7.851 -12.341
  389    H    ILE  55           H        ILE  55   6.845   5.076  -6.423
  390    HA   ILE  55           HA       ILE  55   5.855   2.294  -6.684
  391    HB   ILE  55           HB       ILE  55   6.235   2.149  -4.324
  392   1HG1  ILE  55          1HG1      ILE  55   7.676   4.835  -4.656
  393   2HG1  ILE  55          2HG1      ILE  55   6.152   4.585  -3.770
  394   1HG2  ILE  55          1HG2      ILE  55   7.807   1.375  -6.079
  395   2HG2  ILE  55          2HG2      ILE  55   8.643   2.945  -5.996
  396   3HG2  ILE  55          3HG2      ILE  55   8.617   1.854  -4.592
  397   1HD1  ILE  55          1HD1      ILE  55   7.854   4.455  -2.120
  398   2HD1  ILE  55          2HD1      ILE  55   7.426   2.756  -2.506
  399   3HD1  ILE  55          3HD1      ILE  55   8.900   3.493  -3.179
  400    H    SER  56           H        SER  56   4.639   5.451  -5.787
  401    HA   SER  56           HA       SER  56   2.317   4.424  -4.326
  402   1HB   SER  56          1HB       SER  56   3.121   7.199  -5.240
  403   2HB   SER  56          2HB       SER  56   1.806   6.844  -4.137
  404    HG   SER  56           HG       SER  56   4.595   6.422  -3.819
  405    H    MET  57           H        MET  57   0.185   4.520  -4.938
  406    HA   MET  57           HA       MET  57  -0.562   4.694  -7.734
  407   1HB   MET  57          1HB       MET  57  -1.992   4.639  -5.054
  408   2HB   MET  57          2HB       MET  57  -2.892   5.126  -6.482
  409   1HG   MET  57          1HG       MET  57  -1.319   2.549  -6.340
  410   2HG   MET  57          2HG       MET  57  -3.019   2.652  -5.884
  411   1HE   MET  57          1HE       MET  57  -4.315   4.605  -8.112
  412   2HE   MET  57          2HE       MET  57  -4.832   3.349  -9.250
  413   3HE   MET  57          3HE       MET  57  -5.006   3.079  -7.502
  414    HA   PRO  58           HA       PRO  58  -0.151   9.236  -7.661
  415   1HB   PRO  58          1HB       PRO  58  -2.323   9.044  -9.770
  416   2HB   PRO  58          2HB       PRO  58  -0.856  10.061  -9.775
  417   1HG   PRO  58          1HG       PRO  58  -0.923   7.771 -11.228
  418   2HG   PRO  58          2HG       PRO  58   0.525   8.146 -10.245
  419   1HD   PRO  58          1HD       PRO  58  -1.752   6.268  -9.552
  420   2HD   PRO  58          2HD       PRO  58   0.018   6.036  -9.389
  421    H    GLU  59           H        GLU  59  -1.137  10.292  -5.972
  422    HA   GLU  59           HA       GLU  59  -3.251   9.527  -4.511
  423   1HB   GLU  59          1HB       GLU  59  -3.402  12.031  -3.817
  424   2HB   GLU  59          2HB       GLU  59  -1.963  11.071  -3.486
  425   1HG   GLU  59          1HG       GLU  59  -1.383  13.317  -4.241
  426   2HG   GLU  59          2HG       GLU  59  -0.733  12.111  -5.335
  427    H    GLU  60           H        GLU  60  -3.646  11.487  -7.402
  428    HA   GLU  60           HA       GLU  60  -6.348  12.244  -7.007
  429   1HB   GLU  60          1HB       GLU  60  -4.725  13.196  -8.669
  430   2HB   GLU  60          2HB       GLU  60  -4.857  11.700  -9.614
  431   1HG   GLU  60          1HG       GLU  60  -7.274  12.142  -9.959
  432   2HG   GLU  60          2HG       GLU  60  -7.157  13.591  -8.946
  433    H    GLU  61           H        GLU  61  -4.879   9.304  -8.329
  434    HA   GLU  61           HA       GLU  61  -7.452   8.130  -9.088
  435   1HB   GLU  61          1HB       GLU  61  -4.593   7.069  -9.256
  436   2HB   GLU  61          2HB       GLU  61  -6.028   6.374 -10.013
  437   1HG   GLU  61          1HG       GLU  61  -4.760   9.063 -10.639
  438   2HG   GLU  61          2HG       GLU  61  -4.760   7.631 -11.675
  439    H    LEU  62           H        LEU  62  -8.149   6.141  -8.297
  440    HA   LEU  62           HA       LEU  62  -6.938   4.921  -5.983
  441   1HB   LEU  62          1HB       LEU  62  -8.816   5.430  -4.415
  442   2HB   LEU  62          2HB       LEU  62  -7.776   6.784  -4.797
  443    HG   LEU  62           HG       LEU  62  -9.863   6.921  -6.751
  444   1HD1  LEU  62          1HD1      LEU  62 -11.891   6.918  -5.419
  445   2HD1  LEU  62          2HD1      LEU  62 -11.120   5.318  -5.355
  446   3HD1  LEU  62          3HD1      LEU  62 -10.971   6.441  -3.974
  447   1HD2  LEU  62          1HD2      LEU  62 -10.433   8.984  -5.557
  448   2HD2  LEU  62          2HD2      LEU  62  -9.474   8.461  -4.152
  449   3HD2  LEU  62          3HD2      LEU  62  -8.673   8.804  -5.701
  450    H    LEU  63           H        LEU  63  -7.994   3.090  -5.239
  451    HA   LEU  63           HA       LEU  63  -9.465   1.564  -7.250
  452   1HB   LEU  63          1HB       LEU  63  -8.608   0.790  -4.437
  453   2HB   LEU  63          2HB       LEU  63  -9.070  -0.277  -5.766
  454    HG   LEU  63           HG       LEU  63  -6.556   1.436  -5.556
  455   1HD1  LEU  63          1HD1      LEU  63  -6.729  -0.573  -4.089
  456   2HD1  LEU  63          2HD1      LEU  63  -6.980  -1.578  -5.530
  457   3HD1  LEU  63          3HD1      LEU  63  -5.445  -0.720  -5.289
  458   1HD2  LEU  63          1HD2      LEU  63  -5.811   0.258  -7.612
  459   2HD2  LEU  63          2HD2      LEU  63  -7.413  -0.479  -7.778
  460   3HD2  LEU  63          3HD2      LEU  63  -7.218   1.279  -7.934
  461    H    ASN  64           H        ASN  64 -11.519   2.471  -7.315
  462    HA   ASN  64           HA       ASN  64 -12.989   3.179  -4.905
  463   1HB   ASN  64          1HB       ASN  64 -13.240   4.462  -6.951
  464   2HB   ASN  64          2HB       ASN  64 -13.857   3.045  -7.812
  465   1HD2  ASN  64          1HD2      ASN  64 -17.132   3.335  -6.436
  466   2HD2  ASN  64          2HD2      ASN  64 -16.057   2.362  -7.420
  467    H    ALA  65           H        ALA  65 -13.404   0.612  -7.387
  468    HA   ALA  65           HA       ALA  65 -15.697  -0.508  -6.020
  469   1HB   ALA  65          1HB       ALA  65 -14.002  -1.498  -8.358
  470   2HB   ALA  65          2HB       ALA  65 -15.566  -2.171  -7.904
  471   3HB   ALA  65          3HB       ALA  65 -15.461  -0.499  -8.472
  472    HA   PRO  66           HA       PRO  66 -13.637  -3.578  -3.468
  473   1HB   PRO  66          1HB       PRO  66 -15.252  -5.790  -3.695
  474   2HB   PRO  66          2HB       PRO  66 -15.716  -4.340  -2.780
  475   1HG   PRO  66          1HG       PRO  66 -16.460  -5.035  -5.629
  476   2HG   PRO  66          2HG       PRO  66 -17.553  -4.514  -4.312
  477   1HD   PRO  66          1HD       PRO  66 -16.667  -2.751  -6.127
  478   2HD   PRO  66          2HD       PRO  66 -16.719  -2.274  -4.414
  479    H    GLY  67           H        GLY  67 -12.513  -5.727  -3.644
  480   1HA   GLY  67          1HA       GLY  67 -11.489  -7.444  -4.763
  481   2HA   GLY  67          2HA       GLY  67 -12.372  -7.050  -6.238
  482    H    GLU  68           H        GLU  68 -11.607  -4.499  -6.770
  483    HA   GLU  68           HA       GLU  68  -9.546  -4.427  -8.376
  484   1HB   GLU  68          1HB       GLU  68 -10.148  -2.287  -6.304
  485   2HB   GLU  68          2HB       GLU  68  -9.150  -2.021  -7.741
  486   1HG   GLU  68          1HG       GLU  68 -12.090  -2.854  -7.796
  487   2HG   GLU  68          2HG       GLU  68 -11.470  -1.222  -8.036
  488    H    THR  69           H        THR  69  -7.482  -5.050  -8.439
  489    HA   THR  69           HA       THR  69  -5.837  -5.156  -5.985
  490    HB   THR  69           HB       THR  69  -4.474  -6.652  -7.570
  491    HG1  THR  69           HG1      THR  69  -5.545  -5.824  -9.444
  492   1HG2  THR  69          1HG2      THR  69  -5.912  -7.513  -5.785
  493   2HG2  THR  69          2HG2      THR  69  -7.312  -7.503  -6.887
  494   3HG2  THR  69          3HG2      THR  69  -5.933  -8.576  -7.211
  495    OH   TYR  70           OH       TYR  70   1.967   1.447  -7.284
  496    H    TYR  70           H        TYR  70  -4.278  -3.652  -5.768
  497    HA   TYR  70           HA       TYR  70  -3.085  -2.373  -8.212
  498   1HB   TYR  70          1HB       TYR  70  -3.732  -0.691  -6.659
  499   2HB   TYR  70          2HB       TYR  70  -3.035  -1.559  -5.291
  500    HD1  TYR  70           HD1      TYR  70  -1.884  -0.446  -8.722
  501    HD2  TYR  70           HD2      TYR  70  -1.050  -0.526  -4.488
  502    HE1  TYR  70           HE1      TYR  70   0.267   0.703  -9.119
  503    HE2  TYR  70           HE2      TYR  70   1.075   0.685  -4.893
  504    HH   TYR  70           HH       TYR  70   2.473   1.673  -6.495
  505    H    VAL  71           H        VAL  71  -1.328  -3.458  -8.934
  506    HA   VAL  71           HA       VAL  71   0.220  -5.100  -7.028
  507    HB   VAL  71           HB       VAL  71   0.322  -5.133 -10.060
  508   1HG1  VAL  71          1HG1      VAL  71   1.284  -7.040  -7.879
  509   2HG1  VAL  71          2HG1      VAL  71   1.334  -7.388  -9.621
  510   3HG1  VAL  71          3HG1      VAL  71   2.316  -6.077  -8.952
  511   1HG2  VAL  71          1HG2      VAL  71  -1.046  -7.229  -9.836
  512   2HG2  VAL  71          2HG2      VAL  71  -1.312  -6.832  -8.127
  513   3HG2  VAL  71          3HG2      VAL  71  -1.948  -5.774  -9.403
  514    H    VAL  72           H        VAL  72   2.387  -4.620  -6.585
  515    HA   VAL  72           HA       VAL  72   3.803  -2.679  -8.289
  516    HB   VAL  72           HB       VAL  72   2.588  -1.284  -6.671
  517   1HG1  VAL  72          1HG1      VAL  72   4.224  -2.659  -4.495
  518   2HG1  VAL  72          2HG1      VAL  72   3.141  -1.270  -4.307
  519   3HG1  VAL  72          3HG1      VAL  72   2.476  -2.854  -4.759
  520   1HG2  VAL  72          1HG2      VAL  72   5.583  -1.262  -6.128
  521   2HG2  VAL  72          2HG2      VAL  72   4.784  -0.556  -7.554
  522   3HG2  VAL  72          3HG2      VAL  72   4.447   0.077  -5.936
  523    H    THR  73           H        THR  73   6.094  -2.751  -7.996
  524    HA   THR  73           HA       THR  73   7.080  -5.173  -6.540
  525    HB   THR  73           HB       THR  73   8.104  -3.994  -9.162
  526    HG1  THR  73           HG1      THR  73   6.001  -4.917  -9.330
  527   1HG2  THR  73          1HG2      THR  73   9.805  -5.282  -7.926
  528   2HG2  THR  73          2HG2      THR  73   8.636  -6.598  -7.686
  529   3HG2  THR  73          3HG2      THR  73   9.234  -6.228  -9.315
  530    H    LEU  74           H        LEU  74   8.696  -4.731  -5.083
  531    HA   LEU  74           HA       LEU  74   9.992  -2.026  -5.164
  532   1HB   LEU  74          1HB       LEU  74   9.523  -3.819  -2.769
  533   2HB   LEU  74          2HB       LEU  74  10.263  -2.207  -2.798
  534    HG   LEU  74           HG       LEU  74   7.357  -2.847  -3.481
  535   1HD1  LEU  74          1HD1      LEU  74   6.827  -1.664  -1.411
  536   2HD1  LEU  74          2HD1      LEU  74   7.910  -3.017  -1.061
  537   3HD1  LEU  74          3HD1      LEU  74   8.545  -1.357  -1.102
  538   1HD2  LEU  74          1HD2      LEU  74   8.848  -0.191  -3.358
  539   2HD2  LEU  74          2HD2      LEU  74   8.056  -0.898  -4.785
  540   3HD2  LEU  74          3HD2      LEU  74   7.081  -0.345  -3.424
  541    H    ASP  75           H        ASP  75  12.050  -2.060  -5.722
  542    HA   ASP  75           HA       ASP  75  13.541  -4.609  -5.843
  543   1HB   ASP  75          1HB       ASP  75  13.521  -3.275  -7.843
  544   2HB   ASP  75          2HB       ASP  75  14.030  -1.823  -6.969
  545    H    THR  76           H        THR  76  14.335  -1.230  -4.811
  546    HA   THR  76           HA       THR  76  16.732  -1.994  -3.556
  547    HB   THR  76           HB       THR  76  15.066   0.472  -2.921
  548    HG1  THR  76           HG1      THR  76  16.552  -0.151  -5.256
  549   1HG2  THR  76          1HG2      THR  76  18.072   0.050  -3.228
  550   2HG2  THR  76          2HG2      THR  76  17.255   1.587  -2.874
  551   3HG2  THR  76          3HG2      THR  76  17.192   0.267  -1.695
  552    H    LYS  77           H        LYS  77  17.210  -2.571  -1.474
  553    HA   LYS  77           HA       LYS  77  15.091  -3.574   0.177
  554   1HB   LYS  77          1HB       LYS  77  18.068  -3.191   0.758
  555   2HB   LYS  77          2HB       LYS  77  16.955  -4.192   1.705
  556   1HG   LYS  77          1HG       LYS  77  16.546  -5.614  -0.272
  557   2HG   LYS  77          2HG       LYS  77  17.675  -4.652  -1.230
  558   1HD   LYS  77          1HD       LYS  77  19.516  -5.231   0.344
  559   2HD   LYS  77          2HD       LYS  77  18.390  -6.208   1.297
  560   1HE   LYS  77          1HE       LYS  77  19.710  -7.643  -0.184
  561   2HE   LYS  77          2HE       LYS  77  18.010  -7.691  -0.678
  562   1HZ   LYS  77          1HZ       LYS  77  20.095  -6.044  -1.933
  563   2HZ   LYS  77          2HZ       LYS  77  19.511  -7.467  -2.522
  564   3HZ   LYS  77          3HZ       LYS  77  18.522  -6.158  -2.419
  565    H    GLY  78           H        GLY  78  14.670  -3.020   2.396
  566   1HA   GLY  78          1HA       GLY  78  15.439  -1.264   4.145
  567   2HA   GLY  78          2HA       GLY  78  14.886  -0.080   2.947
  568    H    THR  79           H        THR  79  13.665   0.203   5.235
  569    HA   THR  79           HA       THR  79  11.152  -1.341   5.305
  570    HB   THR  79           HB       THR  79  12.142   0.861   7.155
  571    HG1  THR  79           HG1      THR  79  12.852  -0.912   8.424
  572   1HG2  THR  79          1HG2      THR  79  10.588  -0.219   8.755
  573   2HG2  THR  79          2HG2      THR  79   9.714   0.322   7.311
  574   3HG2  THR  79          3HG2      THR  79  10.110  -1.399   7.518
  575    OH   TYR  80           OH       TYR  80  12.429   0.169  -2.315
  576    H    TYR  80           H        TYR  80   9.622  -0.610   3.920
  577    HA   TYR  80           HA       TYR  80   9.498   2.290   3.271
  578   1HB   TYR  80          1HB       TYR  80   8.391  -0.194   1.920
  579   2HB   TYR  80          2HB       TYR  80   7.899   1.429   1.482
  580    HD1  TYR  80           HD1      TYR  80  11.111  -0.485   1.957
  581    HD2  TYR  80           HD2      TYR  80   8.804   2.188  -0.506
  582    HE1  TYR  80           HE1      TYR  80  12.764  -0.722   0.170
  583    HE2  TYR  80           HE2      TYR  80  10.397   1.830  -2.362
  584    HH   TYR  80           HH       TYR  80  13.038  -0.546  -2.098
  585    H    SER  81           H        SER  81   7.874   3.466   4.185
  586    HA   SER  81           HA       SER  81   5.630   2.022   5.505
  587   1HB   SER  81          1HB       SER  81   6.361   4.947   5.660
  588   2HB   SER  81          2HB       SER  81   5.303   4.037   6.752
  589    HG   SER  81           HG       SER  81   8.106   3.699   6.345
  590    H    PHE  82           H        PHE  82   3.441   2.375   4.886
  591    HA   PHE  82           HA       PHE  82   2.952   4.305   2.713
  592   1HB   PHE  82          1HB       PHE  82   1.728   2.620   1.390
  593   2HB   PHE  82          2HB       PHE  82   3.414   2.316   1.494
  594    HD1  PHE  82           HD1      PHE  82   0.155   1.359   3.106
  595    HD2  PHE  82           HD2      PHE  82   4.187   0.066   2.185
  596    HE1  PHE  82           HE1      PHE  82  -0.240  -0.769   4.263
  597    HE2  PHE  82           HE2      PHE  82   3.705  -2.101   3.235
  598    HZ   PHE  82           HZ       PHE  82   1.527  -2.508   4.350
  599    OH   TYR  83           OH       TYR  83   0.619  10.705   1.129
  600    H    TYR  83           H        TYR  83   0.732   4.577   2.213
  601    HA   TYR  83           HA       TYR  83  -1.194   4.075   4.379
  602   1HB   TYR  83          1HB       TYR  83  -1.645   6.413   4.763
  603   2HB   TYR  83          2HB       TYR  83   0.067   6.118   5.060
  604    HD1  TYR  83           HD2      TYR  83   1.794   7.000   3.486
  605    HD2  TYR  83           HD1      TYR  83  -2.396   7.800   2.910
  606    HE1  TYR  83           HE2      TYR  83   2.353   9.005   2.132
  607    HE2  TYR  83           HE1      TYR  83  -1.836   9.849   1.634
  608    HH   TYR  83           HH       TYR  83  -0.146  11.195   0.824
  609    H    CYS  84           H        CYS  84  -3.345   4.783   3.881
  610    HA   CYS  84           HA       CYS  84  -3.950   4.744   0.930
  611   1HB   CYS  84          1HB       CYS  84  -5.005   2.902   2.059
  612   2HB   CYS  84          2HB       CYS  84  -5.412   3.946   3.429
  613    H    SER  85           H        SER  85  -4.112   6.798   0.202
  614    HA   SER  85           HA       SER  85  -4.255   9.022   1.662
  615   1HB   SER  85          1HB       SER  85  -5.515   8.957  -1.090
  616   2HB   SER  85          2HB       SER  85  -4.587  10.243  -0.304
  617    HG   SER  85           HG       SER  85  -2.796   8.782  -0.324
  618    HA   PRO  86           HA       PRO  86  -8.974   9.706   1.461
  619   1HB   PRO  86          1HB       PRO  86 -10.689   7.579   1.049
  620   2HB   PRO  86          2HB       PRO  86 -10.073   8.661  -0.227
  621   1HG   PRO  86          1HG       PRO  86  -8.971   5.978   0.598
  622   2HG   PRO  86          2HG       PRO  86  -9.342   6.542  -1.057
  623   1HD   PRO  86          1HD       PRO  86  -6.814   6.666  -0.159
  624   2HD   PRO  86          2HD       PRO  86  -7.509   8.035  -1.064
  625    H    HIS  87           H        HIS  87  -7.220   7.306   3.184
  626    HA   HIS  87           HA       HIS  87  -8.984   7.754   5.537
  627   1HB   HIS  87          1HB       HIS  87  -7.775   5.114   4.688
  628   2HB   HIS  87          2HB       HIS  87  -8.642   5.416   6.201
  629    HD2  HIS  87           HD2      HIS  87 -11.270   6.655   5.595
  630    HE1  HIS  87           HE1      HIS  87 -11.912   3.826   2.497
  631    HE2  HIS  87           HE2      HIS  87 -13.025   5.509   4.033
  632    H    GLN  88           H        GLN  88  -6.267   8.834   4.368
  633    HA   GLN  88           HA       GLN  88  -4.281   7.845   6.138
  634   1HB   GLN  88          1HB       GLN  88  -2.965   9.661   5.417
  635   2HB   GLN  88          2HB       GLN  88  -3.880   9.052   4.044
  636   1HG   GLN  88          1HG       GLN  88  -5.482  11.000   4.341
  637   2HG   GLN  88          2HG       GLN  88  -4.379  11.638   5.565
  638   1HE2  GLN  88          1HE2      GLN  88  -1.905  12.683   3.218
  639   2HE2  GLN  88          2HE2      GLN  88  -2.225  12.333   4.905
  640    H    GLY  89           H        GLY  89  -6.627  10.509   6.385
  641   1HA   GLY  89          1HA       GLY  89  -5.796  11.590   8.882
  642   2HA   GLY  89          2HA       GLY  89  -7.431  11.680   8.194
  643    H    ALA  90           H        ALA  90  -8.032   8.916   8.040
  644    HA   ALA  90           HA       ALA  90  -8.904   8.376  10.721
  645   1HB   ALA  90          1HB       ALA  90 -10.145   7.628   8.710
  646   2HB   ALA  90          2HB       ALA  90  -8.816   6.516   8.309
  647   3HB   ALA  90          3HB       ALA  90  -9.753   6.277   9.793
  648    H    GLY  91           H        GLY  91  -6.153   7.323   8.759
  649   1HA   GLY  91          1HA       GLY  91  -4.067   6.825   9.818
  650   2HA   GLY  91          2HA       GLY  91  -4.897   6.060  11.173
  651    H    MET  92           H        MET  92  -5.749   5.535   7.725
  652    HA   MET  92           HA       MET  92  -5.286   2.661   8.088
  653   1HB   MET  92          1HB       MET  92  -7.193   3.747   6.775
  654   2HB   MET  92          2HB       MET  92  -6.000   4.058   5.509
  655   1HG   MET  92          1HG       MET  92  -5.574   1.371   6.122
  656   2HG   MET  92          2HG       MET  92  -7.294   1.554   6.438
  657   1HE   MET  92          1HE       MET  92  -6.024  -0.569   4.560
  658   2HE   MET  92          2HE       MET  92  -7.078  -0.497   3.134
  659   3HE   MET  92          3HE       MET  92  -7.792  -0.438   4.762
  660    H    VAL  93           H        VAL  93  -3.070   2.518   8.461
  661    HA   VAL  93           HA       VAL  93  -1.247   3.077   6.183
  662    HB   VAL  93           HB       VAL  93   0.455   3.833   7.743
  663   1HG1  VAL  93          1HG1      VAL  93  -0.418   5.982   8.330
  664   2HG1  VAL  93          2HG1      VAL  93  -1.233   5.484   6.838
  665   3HG1  VAL  93          3HG1      VAL  93  -2.085   5.386   8.384
  666   1HG2  VAL  93          1HG2      VAL  93  -1.644   3.524   9.936
  667   2HG2  VAL  93          2HG2      VAL  93  -0.187   2.523   9.753
  668   3HG2  VAL  93          3HG2      VAL  93  -0.038   4.247  10.121
  669    H    GLY  94           H        GLY  94   0.917   1.956   6.475
  670   1HA   GLY  94          1HA       GLY  94   1.106  -0.392   8.090
  671   2HA   GLY  94          2HA       GLY  94   0.632  -0.821   6.439
  672    H    LYS  95           H        LYS  95   3.008  -1.830   6.936
  673    HA   LYS  95           HA       LYS  95   4.908  -0.121   5.507
  674   1HB   LYS  95          1HB       LYS  95   5.745  -1.411   8.142
  675   2HB   LYS  95          2HB       LYS  95   6.707  -0.387   7.075
  676   1HG   LYS  95          1HG       LYS  95   5.085   1.515   7.598
  677   2HG   LYS  95          2HG       LYS  95   4.380   0.466   8.841
  678   1HD   LYS  95          1HD       LYS  95   6.621   0.288   9.923
  679   2HD   LYS  95          2HD       LYS  95   7.307   1.331   8.656
  680   1HE   LYS  95          1HE       LYS  95   5.822   3.181   9.325
  681   2HE   LYS  95          2HE       LYS  95   5.087   2.157  10.579
  682   1HZ   LYS  95          1HZ       LYS  95   6.763   3.587  11.461
  683   2HZ   LYS  95          2HZ       LYS  95   7.234   2.015  11.618
  684   3HZ   LYS  95          3HZ       LYS  95   7.905   2.970  10.451
  685    H    VAL  96           H        VAL  96   6.705  -1.291   4.637
  686    HA   VAL  96           HA       VAL  96   6.491  -4.237   4.727
  687    HB   VAL  96           HB       VAL  96   5.192  -3.731   2.882
  688   1HG1  VAL  96          1HG1      VAL  96   7.432  -2.145   1.578
  689   2HG1  VAL  96          2HG1      VAL  96   5.787  -2.390   0.973
  690   3HG1  VAL  96          3HG1      VAL  96   6.057  -1.367   2.393
  691   1HG2  VAL  96          1HG2      VAL  96   6.315  -4.862   1.118
  692   2HG2  VAL  96          2HG2      VAL  96   7.912  -4.468   1.777
  693   3HG2  VAL  96          3HG2      VAL  96   6.832  -5.576   2.662
  694    H    THR  97           H        THR  97   8.348  -5.133   5.000
  695    HA   THR  97           HA       THR  97  10.843  -3.533   4.870
  696    HB   THR  97           HB       THR  97  10.890  -6.389   5.755
  697    HG1  THR  97           HG1      THR  97   8.977  -5.292   6.776
  698   1HG2  THR  97          1HG2      THR  97  12.490  -5.513   7.354
  699   2HG2  THR  97          2HG2      THR  97  12.913  -4.979   5.712
  700   3HG2  THR  97          3HG2      THR  97  12.138  -3.850   6.848
  701    H    VAL  98           H        VAL  98  11.589  -3.438   2.747
  702    HA   VAL  98           HA       VAL  98  11.244  -5.731   0.968
  703    HB   VAL  98           HB       VAL  98  12.713  -3.099   0.564
  704   1HG1  VAL  98          1HG1      VAL  98  11.684  -5.227  -1.380
  705   2HG1  VAL  98          2HG1      VAL  98  12.377  -3.667  -1.851
  706   3HG1  VAL  98          3HG1      VAL  98  13.389  -4.869  -1.035
  707   1HG2  VAL  98          1HG2      VAL  98  10.651  -2.441  -0.632
  708   2HG2  VAL  98          2HG2      VAL  98   9.872  -3.960  -0.141
  709   3HG2  VAL  98          3HG2      VAL  98  10.302  -2.733   1.067
  710    H    ASN  99           H        ASN  99  12.558  -7.428   1.294
  711    HA   ASN  99           HA       ASN  99  15.251  -7.043   2.524
  712   1HB   ASN  99          1HB       ASN  99  13.704  -9.610   2.022
  713   2HB   ASN  99          2HB       ASN  99  15.201  -9.433   2.933
  714   1HD2  ASN  99          1HD2      ASN  99  13.495  -7.848   5.749
  715   2HD2  ASN  99          2HD2      ASN  99  14.980  -7.694   4.833
   
  Start of MODEL           9
 Raw file had 715 H/Q atoms
  Start of MODEL    9
    1    H    LEU   1           H        LEU   1   3.433 -10.064  -2.971
    2    HA   LEU   1           HA       LEU   1   2.362 -12.098  -1.194
    3   1HB   LEU   1          1HB       LEU   1   4.219 -11.245   0.089
    4   2HB   LEU   1          2HB       LEU   1   3.600  -9.589   0.023
    5    HG   LEU   1           HG       LEU   1   1.807 -11.745   1.153
    6   1HD1  LEU   1          1HD1      LEU   1   4.197 -10.588   2.650
    7   2HD1  LEU   1          2HD1      LEU   1   2.879 -11.529   3.380
    8   3HD1  LEU   1          3HD1      LEU   1   3.956 -12.288   2.194
    9   1HD2  LEU   1          1HD2      LEU   1   1.068  -9.967   2.624
   10   2HD2  LEU   1          2HD2      LEU   1   2.424  -8.927   2.158
   11   3HD2  LEU   1          3HD2      LEU   1   1.141  -9.274   0.999
   12    H    GLU   2           H        GLU   2   0.270 -11.738  -0.601
   13    HA   GLU   2           HA       GLU   2  -1.162  -9.566  -2.015
   14   1HB   GLU   2          1HB       GLU   2  -2.106 -12.149  -0.713
   15   2HB   GLU   2          2HB       GLU   2  -3.174 -10.926  -1.422
   16   1HG   GLU   2          1HG       GLU   2  -2.033 -11.133  -3.591
   17   2HG   GLU   2          2HG       GLU   2  -0.964 -12.389  -2.939
   18    H    VAL   3           H        VAL   3  -1.973  -7.878  -0.999
   19    HA   VAL   3           HA       VAL   3  -2.224  -7.901   1.980
   20    HB   VAL   3           HB       VAL   3  -1.584  -5.553   0.157
   21   1HG1  VAL   3          1HG1      VAL   3  -1.689  -5.835   3.194
   22   2HG1  VAL   3          2HG1      VAL   3  -1.118  -4.402   2.323
   23   3HG1  VAL   3          3HG1      VAL   3  -2.815  -4.897   2.188
   24   1HG2  VAL   3          1HG2      VAL   3   0.268  -7.070   2.036
   25   2HG2  VAL   3          2HG2      VAL   3   0.361  -7.051   0.260
   26   3HG2  VAL   3          3HG2      VAL   3   0.646  -5.567   1.173
   27    H    LEU   4           H        LEU   4  -4.331  -7.767   2.614
   28    HA   LEU   4           HA       LEU   4  -6.381  -6.977   0.620
   29   1HB   LEU   4          1HB       LEU   4  -6.691  -8.012   3.454
   30   2HB   LEU   4          2HB       LEU   4  -7.979  -7.722   2.296
   31    HG   LEU   4           HG       LEU   4  -5.805  -9.843   2.153
   32   1HD1  LEU   4          1HD1      LEU   4  -8.855  -9.986   2.213
   33   2HD1  LEU   4          2HD1      LEU   4  -7.737 -11.367   2.213
   34   3HD1  LEU   4          3HD1      LEU   4  -7.785 -10.268   3.606
   35   1HD2  LEU   4          1HD2      LEU   4  -6.069  -9.083  -0.142
   36   2HD2  LEU   4          2HD2      LEU   4  -6.946 -10.602   0.042
   37   3HD2  LEU   4          3HD2      LEU   4  -7.845  -9.070   0.016
   38    H    LEU   5           H        LEU   5  -7.251  -5.031   0.537
   39    HA   LEU   5           HA       LEU   5  -6.577  -2.971   2.536
   40   1HB   LEU   5          1HB       LEU   5  -8.160  -2.869  -0.023
   41   2HB   LEU   5          2HB       LEU   5  -7.725  -1.472   0.959
   42    HG   LEU   5           HG       LEU   5  -5.619  -3.308  -0.267
   43   1HD1  LEU   5          1HD1      LEU   5  -6.843  -0.772  -1.427
   44   2HD1  LEU   5          2HD1      LEU   5  -5.391  -1.587  -2.043
   45   3HD1  LEU   5          3HD1      LEU   5  -6.956  -2.407  -2.111
   46   1HD2  LEU   5          1HD2      LEU   5  -4.174  -1.352   0.073
   47   2HD2  LEU   5          2HD2      LEU   5  -5.537  -0.406   0.704
   48   3HD2  LEU   5          3HD2      LEU   5  -4.934  -1.808   1.608
   49    H    GLY   6           H        GLY   6  -7.700  -3.487   4.386
   50   1HA   GLY   6          1HA       GLY   6  -9.601  -2.925   5.610
   51   2HA   GLY   6          2HA       GLY   6 -10.683  -3.425   4.303
   52    H    SER   7           H        SER   7 -10.089  -4.441   7.288
   53    HA   SER   7           HA       SER   7  -9.318  -7.230   6.790
   54   1HB   SER   7          1HB       SER   7  -9.670  -7.358   9.282
   55   2HB   SER   7          2HB       SER   7  -8.552  -6.124   8.667
   56    HG   SER   7           HG       SER   7 -11.234  -5.691   9.494
   57    H    GLY   8           H        GLY   8 -11.460  -6.620   5.327
   58   1HA   GLY   8          1HA       GLY   8 -13.442  -7.603   4.586
   59   2HA   GLY   8          2HA       GLY   8 -13.384  -8.687   5.983
   60    H    ASP   9           H        ASP   9 -13.598  -7.171   8.115
   61    HA   ASP   9           HA       ASP   9 -16.387  -6.456   8.195
   62   1HB   ASP   9          1HB       ASP   9 -16.055  -6.272  10.544
   63   2HB   ASP   9          2HB       ASP   9 -15.063  -7.633  10.011
   64    H    GLY  10           H        GLY  10 -14.897  -4.658   6.456
   65   1HA   GLY  10          1HA       GLY  10 -14.985  -2.448   5.876
   66   2HA   GLY  10          2HA       GLY  10 -16.042  -2.171   7.262
   67    H    SER  11           H        SER  11 -13.502  -3.364   8.875
   68    HA   SER  11           HA       SER  11 -12.697  -0.790   9.740
   69   1HB   SER  11          1HB       SER  11 -12.529  -2.748  11.174
   70   2HB   SER  11          2HB       SER  11 -11.146  -3.338  10.220
   71    HG   SER  11           HG       SER  11 -11.345  -1.034  11.846
   72    H    LEU  12           H        LEU  12 -11.242   0.543   9.131
   73    HA   LEU  12           HA       LEU  12  -9.999   0.325   6.530
   74   1HB   LEU  12          1HB       LEU  12  -9.881   2.483   8.684
   75   2HB   LEU  12          2HB       LEU  12  -9.415   2.694   6.998
   76    HG   LEU  12           HG       LEU  12 -12.257   2.001   7.888
   77   1HD1  LEU  12          1HD1      LEU  12 -11.634   4.195   8.737
   78   2HD1  LEU  12          2HD1      LEU  12 -11.012   4.672   7.149
   79   3HD1  LEU  12          3HD1      LEU  12 -12.749   4.371   7.372
   80   1HD2  LEU  12          1HD2      LEU  12 -12.806   2.752   5.571
   81   2HD2  LEU  12          2HD2      LEU  12 -11.064   2.816   5.221
   82   3HD2  LEU  12          3HD2      LEU  12 -11.839   1.273   5.622
   83    H    VAL  13           H        VAL  13  -8.726  -1.599   7.328
   84    HA   VAL  13           HA       VAL  13  -5.998  -0.616   8.043
   85    HB   VAL  13           HB       VAL  13  -5.630  -2.592   9.441
   86   1HG1  VAL  13          1HG1      VAL  13  -6.831  -1.846  11.409
   87   2HG1  VAL  13          2HG1      VAL  13  -6.341  -0.430  10.461
   88   3HG1  VAL  13          3HG1      VAL  13  -8.028  -0.989  10.425
   89   1HG2  VAL  13          1HG2      VAL  13  -7.326  -4.125   8.505
   90   2HG2  VAL  13          2HG2      VAL  13  -7.504  -3.958  10.256
   91   3HG2  VAL  13          3HG2      VAL  13  -8.626  -3.115   9.175
   92    H    PHE  14           H        PHE  14  -4.280  -1.756   7.168
   93    HA   PHE  14           HA       PHE  14  -4.865  -3.300   4.706
   94   1HB   PHE  14          1HB       PHE  14  -2.308  -2.263   6.010
   95   2HB   PHE  14          2HB       PHE  14  -2.331  -3.278   4.587
   96    HD1  PHE  14           HD1      PHE  14  -3.268   0.086   5.905
   97    HD2  PHE  14           HD2      PHE  14  -2.511  -2.334   2.412
   98    HE1  PHE  14           HE1      PHE  14  -2.966   2.117   4.524
   99    HE2  PHE  14           HE2      PHE  14  -2.113  -0.313   1.103
  100    HZ   PHE  14           HZ       PHE  14  -2.488   1.934   2.096
  101    H    VAL  15           H        VAL  15  -4.602  -5.577   4.689
  102    HA   VAL  15           HA       VAL  15  -3.460  -6.832   7.171
  103    HB   VAL  15           HB       VAL  15  -5.723  -7.868   5.460
  104   1HG1  VAL  15          1HG1      VAL  15  -4.472  -8.912   8.041
  105   2HG1  VAL  15          2HG1      VAL  15  -5.916  -9.570   7.245
  106   3HG1  VAL  15          3HG1      VAL  15  -4.346  -9.680   6.442
  107   1HG2  VAL  15          1HG2      VAL  15  -7.054  -7.502   7.535
  108   2HG2  VAL  15          2HG2      VAL  15  -5.691  -6.604   8.232
  109   3HG2  VAL  15          3HG2      VAL  15  -6.524  -5.990   6.783
  110    HA   PRO  16           HA       PRO  16  -1.629  -7.851   7.713
  111   1HB   PRO  16          1HB       PRO  16   1.055  -7.880   7.418
  112   2HB   PRO  16          2HB       PRO  16   0.063  -9.361   7.299
  113   1HG   PRO  16          1HG       PRO  16   1.048  -7.636   5.003
  114   2HG   PRO  16          2HG       PRO  16   1.234  -9.404   5.191
  115   1HD   PRO  16          1HD       PRO  16  -0.788  -8.323   3.731
  116   2HD   PRO  16          2HD       PRO  16  -1.089  -9.754   4.748
  117    H    SER  17           H        SER  17  -0.867  -6.024   8.891
  118    HA   SER  17           HA       SER  17  -0.916  -3.496   7.464
  119   1HB   SER  17          1HB       SER  17  -0.303  -3.824  10.410
  120   2HB   SER  17          2HB       SER  17  -1.182  -2.535   9.567
  121    HG   SER  17           HG       SER  17  -2.732  -4.319   9.042
  122    H    GLU  18           H        GLU  18   1.435  -5.310   9.447
  123    HA   GLU  18           HA       GLU  18   3.706  -3.704   8.362
  124   1HB   GLU  18          1HB       GLU  18   3.248  -3.316  10.780
  125   2HB   GLU  18          2HB       GLU  18   3.386  -5.060  11.067
  126   1HG   GLU  18          1HG       GLU  18   5.752  -4.984  10.250
  127   2HG   GLU  18          2HG       GLU  18   5.592  -3.238   9.993
  128    H    PHE  19           H        PHE  19   5.143  -5.024   7.175
  129    HA   PHE  19           HA       PHE  19   5.427  -7.835   7.903
  130   1HB   PHE  19          1HB       PHE  19   4.626  -8.805   5.844
  131   2HB   PHE  19          2HB       PHE  19   3.343  -7.896   6.583
  132    HD1  PHE  19           HD1      PHE  19   2.758  -5.555   5.671
  133    HD2  PHE  19           HD2      PHE  19   5.264  -8.382   3.572
  134    HE1  PHE  19           HE1      PHE  19   2.118  -4.543   3.514
  135    HE2  PHE  19           HE2      PHE  19   4.680  -7.296   1.430
  136    HZ   PHE  19           HZ       PHE  19   3.115  -5.367   1.397
  137    H    SER  20           H        SER  20   6.683  -8.944   5.888
  138    HA   SER  20           HA       SER  20   8.827  -7.164   4.981
  139   1HB   SER  20          1HB       SER  20   9.219  -9.926   6.237
  140   2HB   SER  20          2HB       SER  20  10.489  -8.876   5.585
  141    HG   SER  20           HG       SER  20   8.772  -8.186   7.749
  142    H    VAL  21           H        VAL  21   9.735  -7.894   2.919
  143    HA   VAL  21           HA       VAL  21   8.437 -10.215   1.682
  144    HB   VAL  21           HB       VAL  21   6.964  -8.290   1.313
  145   1HG1  VAL  21          1HG1      VAL  21   7.602  -6.376  -0.017
  146   2HG1  VAL  21          2HG1      VAL  21   8.702  -6.468   1.368
  147   3HG1  VAL  21          3HG1      VAL  21   9.244  -6.985  -0.241
  148   1HG2  VAL  21          1HG2      VAL  21   7.152 -10.050  -0.392
  149   2HG2  VAL  21          2HG2      VAL  21   6.783  -8.467  -1.110
  150   3HG2  VAL  21          3HG2      VAL  21   8.438  -9.105  -1.191
  151    HA   PRO  22           HA       PRO  22  12.651 -10.654   0.248
  152   1HB   PRO  22          1HB       PRO  22  11.359 -11.758  -2.254
  153   2HB   PRO  22          2HB       PRO  22  12.745 -12.414  -1.337
  154   1HG   PRO  22          1HG       PRO  22  10.291 -13.516  -1.025
  155   2HG   PRO  22          2HG       PRO  22  11.288 -13.170   0.423
  156   1HD   PRO  22          1HD       PRO  22   9.028 -11.509  -0.721
  157   2HD   PRO  22          2HD       PRO  22   9.341 -12.012   0.969
  158    H    SER  23           H        SER  23  14.050  -9.265  -0.914
  159    HA   SER  23           HA       SER  23  13.029  -6.965  -2.164
  160   1HB   SER  23          1HB       SER  23  15.783  -8.215  -2.495
  161   2HB   SER  23          2HB       SER  23  15.369  -6.498  -2.626
  162    HG   SER  23           HG       SER  23  14.874  -6.499  -0.419
  163    H    GLY  24           H        GLY  24  12.047  -6.804  -4.112
  164   1HA   GLY  24          1HA       GLY  24  12.199  -7.003  -6.511
  165   2HA   GLY  24          2HA       GLY  24  12.907  -8.610  -6.357
  166    H    GLU  25           H        GLU  25  10.663  -8.978  -4.029
  167    HA   GLU  25           HA       GLU  25   8.839 -10.214  -5.911
  168   1HB   GLU  25          1HB       GLU  25   9.199 -10.218  -2.982
  169   2HB   GLU  25          2HB       GLU  25   7.507 -10.276  -3.463
  170   1HG   GLU  25          1HG       GLU  25   9.647 -12.147  -4.566
  171   2HG   GLU  25          2HG       GLU  25   8.625 -12.514  -3.170
  172    H    LYS  26           H        LYS  26   6.547  -9.866  -6.002
  173    HA   LYS  26           HA       LYS  26   5.923  -7.014  -6.212
  174   1HB   LYS  26          1HB       LYS  26   4.044  -7.804  -7.546
  175   2HB   LYS  26          2HB       LYS  26   5.620  -8.244  -8.216
  176   1HG   LYS  26          1HG       LYS  26   5.329 -10.564  -7.497
  177   2HG   LYS  26          2HG       LYS  26   3.827 -10.158  -6.642
  178   1HD   LYS  26          1HD       LYS  26   2.788  -9.482  -8.788
  179   2HD   LYS  26          2HD       LYS  26   4.292  -9.870  -9.644
  180   1HE   LYS  26          1HE       LYS  26   4.095 -12.240  -8.910
  181   2HE   LYS  26          2HE       LYS  26   2.592 -11.848  -8.050
  182   1HZ   LYS  26          1HZ       LYS  26   2.173 -12.780 -10.197
  183   2HZ   LYS  26          2HZ       LYS  26   1.630 -11.225 -10.144
  184   3HZ   LYS  26          3HZ       LYS  26   3.026 -11.585 -10.944
  185    H    ILE  27           H        ILE  27   4.394  -6.005  -5.024
  186    HA   ILE  27           HA       ILE  27   2.987  -7.555  -2.906
  187    HB   ILE  27           HB       ILE  27   3.301  -4.564  -3.159
  188   1HG1  ILE  27          1HG1      ILE  27   4.937  -6.470  -1.414
  189   2HG1  ILE  27          2HG1      ILE  27   5.547  -5.681  -2.875
  190   1HG2  ILE  27          1HG2      ILE  27   2.561  -4.575  -0.803
  191   2HG2  ILE  27          2HG2      ILE  27   1.374  -5.383  -1.811
  192   3HG2  ILE  27          3HG2      ILE  27   2.490  -6.349  -0.827
  193   1HD1  ILE  27          1HD1      ILE  27   4.689  -4.252  -0.341
  194   2HD1  ILE  27          2HD1      ILE  27   6.319  -4.438  -1.000
  195   3HD1  ILE  27          3HD1      ILE  27   5.127  -3.452  -1.869
  196    H    VAL  28           H        VAL  28   0.818  -7.765  -3.140
  197    HA   VAL  28           HA       VAL  28  -0.582  -6.357  -5.398
  198    HB   VAL  28           HB       VAL  28  -1.030  -9.128  -4.236
  199   1HG1  VAL  28          1HG1      VAL  28  -2.413  -7.679  -6.536
  200   2HG1  VAL  28          2HG1      VAL  28  -2.616  -9.396  -6.134
  201   3HG1  VAL  28          3HG1      VAL  28  -3.157  -8.158  -4.997
  202   1HG2  VAL  28          1HG2      VAL  28   0.106  -8.280  -6.925
  203   2HG2  VAL  28          2HG2      VAL  28   1.007  -9.061  -5.609
  204   3HG2  VAL  28          3HG2      VAL  28  -0.282  -9.940  -6.437
  205    H    PHE  29           H        PHE  29  -1.480  -4.635  -4.322
  206    HA   PHE  29           HA       PHE  29  -2.830  -5.004  -1.722
  207   1HB   PHE  29          1HB       PHE  29  -2.524  -2.612  -3.543
  208   2HB   PHE  29          2HB       PHE  29  -3.328  -2.602  -1.983
  209    HD1  PHE  29           HD2      PHE  29  -2.064  -3.008   0.113
  210    HD2  PHE  29           HD1      PHE  29  -0.113  -2.511  -3.691
  211    HE1  PHE  29           HE2      PHE  29   0.058  -2.393   1.284
  212    HE2  PHE  29           HE1      PHE  29   2.016  -1.969  -2.512
  213    HZ   PHE  29           HZ       PHE  29   2.092  -1.885  -0.038
  214    H    LYS  30           H        LYS  30  -4.712  -6.178  -1.947
  215    HA   LYS  30           HA       LYS  30  -6.488  -5.707  -4.279
  216   1HB   LYS  30          1HB       LYS  30  -5.711  -7.986  -3.702
  217   2HB   LYS  30          2HB       LYS  30  -6.557  -7.853  -2.157
  218   1HG   LYS  30          1HG       LYS  30  -8.726  -7.632  -3.325
  219   2HG   LYS  30          2HG       LYS  30  -7.886  -7.590  -4.886
  220   1HD   LYS  30          1HD       LYS  30  -7.014  -9.901  -4.459
  221   2HD   LYS  30          2HD       LYS  30  -7.880  -9.921  -2.915
  222   1HE   LYS  30          1HE       LYS  30  -9.177 -11.125  -4.581
  223   2HE   LYS  30          2HE       LYS  30 -10.043  -9.646  -4.145
  224   1HZ   LYS  30          1HZ       LYS  30  -9.185  -8.645  -6.168
  225   2HZ   LYS  30          2HZ       LYS  30  -8.361 -10.026  -6.532
  226   3HZ   LYS  30          3HZ       LYS  30 -10.005 -10.031  -6.504
  227    H    ASN  31           H        ASN  31  -8.333  -4.589  -4.141
  228    HA   ASN  31           HA       ASN  31  -9.196  -3.255  -1.779
  229   1HB   ASN  31          1HB       ASN  31  -9.727  -2.432  -4.028
  230   2HB   ASN  31          2HB       ASN  31 -10.676  -3.882  -4.374
  231   1HD2  ASN  31          1HD2      ASN  31 -13.354  -1.658  -3.435
  232   2HD2  ASN  31          2HD2      ASN  31 -12.450  -2.336  -4.778
  233    H    ASN  32           H        ASN  32 -10.006  -4.361   0.030
  234    HA   ASN  32           HA       ASN  32 -11.660  -6.790  -0.459
  235   1HB   ASN  32          1HB       ASN  32  -9.627  -6.942   0.938
  236   2HB   ASN  32          2HB       ASN  32 -10.361  -5.857   2.108
  237   1HD2  ASN  32          1HD2      ASN  32 -11.392  -8.851   3.706
  238   2HD2  ASN  32          2HD2      ASN  32 -10.238  -7.513   3.717
  239    H    ALA  33           H        ALA  33 -11.561  -4.111   1.888
  240    HA   ALA  33           HA       ALA  33 -14.426  -3.522   1.487
  241   1HB   ALA  33          1HB       ALA  33 -14.512  -5.524   2.965
  242   2HB   ALA  33          2HB       ALA  33 -13.454  -4.701   4.132
  243   3HB   ALA  33          3HB       ALA  33 -15.086  -4.076   3.804
  244    H    GLY  34           H        GLY  34 -15.174  -1.775   3.071
  245   1HA   GLY  34          1HA       GLY  34 -14.893   0.293   4.026
  246   2HA   GLY  34          2HA       GLY  34 -13.286  -0.228   4.553
  247    H    PHE  35           H        PHE  35 -14.151  -0.302   1.172
  248    HA   PHE  35           HA       PHE  35 -12.052   1.533   0.344
  249   1HB   PHE  35          1HB       PHE  35 -12.713   0.679  -1.892
  250   2HB   PHE  35          2HB       PHE  35 -12.422  -0.476  -0.655
  251    HD1  PHE  35           HD2      PHE  35 -15.326   1.428  -2.058
  252    HD2  PHE  35           HD1      PHE  35 -13.726  -2.336  -0.730
  253    HE1  PHE  35           HE2      PHE  35 -17.549   0.344  -2.425
  254    HE2  PHE  35           HE1      PHE  35 -15.951  -3.401  -0.995
  255    HZ   PHE  35           HZ       PHE  35 -17.863  -2.067  -1.861
  256    HA   PRO  36           HA       PRO  36 -12.492   2.623  -2.198
  257   1HB   PRO  36          1HB       PRO  36 -11.823   5.055  -3.026
  258   2HB   PRO  36          2HB       PRO  36 -13.422   4.355  -3.347
  259   1HG   PRO  36          1HG       PRO  36 -12.716   6.225  -1.062
  260   2HG   PRO  36          2HG       PRO  36 -14.043   6.408  -2.253
  261   1HD   PRO  36          1HD       PRO  36 -14.486   5.243   0.170
  262   2HD   PRO  36          2HD       PRO  36 -15.261   4.590  -1.299
  263    H    HIS  37           H        HIS  37 -10.214   2.930  -2.674
  264    HA   HIS  37           HA       HIS  37  -8.567   3.966  -0.467
  265   1HB   HIS  37          1HB       HIS  37  -8.361   1.101  -1.487
  266   2HB   HIS  37          2HB       HIS  37  -7.356   1.801  -0.227
  267    HD2  HIS  37           HD2      HIS  37 -10.004  -0.591  -0.595
  268    HE1  HIS  37           HE1      HIS  37 -10.343   0.714   3.424
  269    HE2  HIS  37           HE2      HIS  37 -10.835  -1.173   1.801
  270    H    ASN  38           H        ASN  38  -6.189   3.504  -0.957
  271    HA   ASN  38           HA       ASN  38  -5.318   3.053  -3.611
  272   1HB   ASN  38          1HB       ASN  38  -4.455   5.182  -4.175
  273   2HB   ASN  38          2HB       ASN  38  -6.138   5.499  -3.765
  274   1HD2  ASN  38          1HD2      ASN  38  -3.789   7.997  -2.101
  275   2HD2  ASN  38          2HD2      ASN  38  -3.940   7.461  -3.775
  276    H    VAL  39           H        VAL  39  -2.720   3.729  -3.351
  277    HA   VAL  39           HA       VAL  39  -1.898   3.248  -0.541
  278    HB   VAL  39           HB       VAL  39  -0.886   1.620  -2.905
  279   1HG1  VAL  39          1HG1      VAL  39   0.329   0.378  -1.157
  280   2HG1  VAL  39          2HG1      VAL  39   0.824   2.069  -1.157
  281   3HG1  VAL  39          3HG1      VAL  39  -0.296   1.475   0.089
  282   1HG2  VAL  39          1HG2      VAL  39  -1.927  -0.296  -1.588
  283   2HG2  VAL  39          2HG2      VAL  39  -2.790   0.909  -0.630
  284   3HG2  VAL  39          3HG2      VAL  39  -3.088   0.771  -2.375
  285    H    VAL  40           H        VAL  40  -0.608   4.891  -0.064
  286    HA   VAL  40           HA       VAL  40   1.242   5.946  -2.137
  287    HB   VAL  40           HB       VAL  40  -0.192   7.444   0.099
  288   1HG1  VAL  40          1HG1      VAL  40   2.058   8.383  -0.227
  289   2HG1  VAL  40          2HG1      VAL  40   1.832   8.403  -1.984
  290   3HG1  VAL  40          3HG1      VAL  40   0.869   9.468  -0.960
  291   1HG2  VAL  40          1HG2      VAL  40  -1.692   7.001  -1.774
  292   2HG2  VAL  40          2HG2      VAL  40  -1.217   8.705  -1.785
  293   3HG2  VAL  40          3HG2      VAL  40  -0.474   7.579  -2.932
  294    H    PHE  41           H        PHE  41   3.324   6.117  -1.520
  295    HA   PHE  41           HA       PHE  41   4.080   4.840   1.051
  296   1HB   PHE  41          1HB       PHE  41   5.522   5.386  -1.543
  297   2HB   PHE  41          2HB       PHE  41   6.329   4.794  -0.105
  298    HD1  PHE  41           HD1      PHE  41   5.778   2.623   0.912
  299    HD2  PHE  41           HD2      PHE  41   3.970   3.844  -2.785
  300    HE1  PHE  41           HE1      PHE  41   5.318   0.237   0.356
  301    HE2  PHE  41           HE2      PHE  41   3.324   1.490  -3.245
  302    HZ   PHE  41           HZ       PHE  41   4.043  -0.321  -1.702
  303    H    ASP  42           H        ASP  42   4.997   6.011   2.663
  304    HA   ASP  42           HA       ASP  42   4.835   8.859   2.636
  305   1HB   ASP  42          1HB       ASP  42   4.660   7.526   4.684
  306   2HB   ASP  42          2HB       ASP  42   6.335   6.981   4.483
  307    H    GLU  43           H        GLU  43   6.128  10.200   1.568
  308    HA   GLU  43           HA       GLU  43   8.358   9.566   0.091
  309   1HB   GLU  43          1HB       GLU  43   8.804  12.029   0.046
  310   2HB   GLU  43          2HB       GLU  43   7.191  11.533  -0.458
  311   1HG   GLU  43          1HG       GLU  43   7.616  12.371   2.431
  312   2HG   GLU  43          2HG       GLU  43   7.581  13.595   1.167
  313    H    ASP  44           H        ASP  44   8.453  10.299   3.534
  314    HA   ASP  44           HA       ASP  44  11.399  10.655   3.443
  315   1HB   ASP  44          1HB       ASP  44   9.436  10.686   5.776
  316   2HB   ASP  44          2HB       ASP  44  11.170  11.005   5.864
  317    H    GLU  45           H        GLU  45   8.997   8.470   4.923
  318    HA   GLU  45           HA       GLU  45  11.037   6.605   5.846
  319   1HB   GLU  45          1HB       GLU  45   8.021   6.480   5.919
  320   2HB   GLU  45          2HB       GLU  45   9.131   5.369   6.746
  321   1HG   GLU  45          1HG       GLU  45  10.048   7.285   8.054
  322   2HG   GLU  45          2HG       GLU  45   8.929   8.389   7.242
  323    H    ILE  46           H        ILE  46  11.631   6.645   3.391
  324    HA   ILE  46           HA       ILE  46  11.086   3.943   2.418
  325    HB   ILE  46           HB       ILE  46  10.889   4.822   0.044
  326   1HG1  ILE  46          1HG1      ILE  46  10.173   7.453   1.391
  327   2HG1  ILE  46          2HG1      ILE  46  11.608   7.130   0.418
  328   1HG2  ILE  46          1HG2      ILE  46   9.007   3.829   1.307
  329   2HG2  ILE  46          2HG2      ILE  46   8.491   5.447   1.789
  330   3HG2  ILE  46          3HG2      ILE  46   8.524   4.987   0.077
  331   1HD1  ILE  46          1HD1      ILE  46   8.720   7.181  -0.513
  332   2HD1  ILE  46          2HD1      ILE  46  10.070   8.214  -1.024
  333   3HD1  ILE  46          3HD1      ILE  46  10.037   6.502  -1.494
  334    HA   PRO  47           HA       PRO  47  15.431   4.358   1.858
  335   1HB   PRO  47          1HB       PRO  47  15.969   2.775  -0.373
  336   2HB   PRO  47          2HB       PRO  47  15.722   2.208   1.299
  337   1HG   PRO  47          1HG       PRO  47  13.750   2.254  -0.974
  338   2HG   PRO  47          2HG       PRO  47  13.988   0.998   0.286
  339   1HD   PRO  47          1HD       PRO  47  11.966   2.858   0.373
  340   2HD   PRO  47          2HD       PRO  47  12.726   2.200   1.846
  341    H    ALA  48           H        ALA  48  16.271   6.193   1.258
  342    HA   ALA  48           HA       ALA  48  15.394   8.038  -0.561
  343   1HB   ALA  48          1HB       ALA  48  17.634   9.064  -0.374
  344   2HB   ALA  48          2HB       ALA  48  17.032   8.511   1.200
  345   3HB   ALA  48          3HB       ALA  48  18.267   7.566   0.337
  346    H    GLY  49           H        GLY  49  15.253   8.090  -2.706
  347   1HA   GLY  49          1HA       GLY  49  16.618   8.058  -4.810
  348   2HA   GLY  49          2HA       GLY  49  17.042   6.384  -4.413
  349    H    VAL  50           H        VAL  50  14.460   5.590  -3.297
  350    HA   VAL  50           HA       VAL  50  13.130   5.070  -5.849
  351    HB   VAL  50           HB       VAL  50  12.224   4.273  -3.059
  352   1HG1  VAL  50          1HG1      VAL  50  11.598   3.247  -5.875
  353   2HG1  VAL  50          2HG1      VAL  50  11.018   2.515  -4.373
  354   3HG1  VAL  50          3HG1      VAL  50  10.482   4.143  -4.829
  355   1HG2  VAL  50          1HG2      VAL  50  13.267   2.089  -3.623
  356   2HG2  VAL  50          2HG2      VAL  50  14.012   2.816  -5.060
  357   3HG2  VAL  50          3HG2      VAL  50  14.473   3.363  -3.431
  358    H    ASP  51           H        ASP  51  12.330   6.998  -6.624
  359    HA   ASP  51           HA       ASP  51  11.075   9.043  -5.197
  360   1HB   ASP  51          1HB       ASP  51  11.837   9.210  -7.529
  361   2HB   ASP  51          2HB       ASP  51  10.517   8.154  -8.048
  362    H    ALA  52           H        ALA  52   9.372   8.943  -3.934
  363    HA   ALA  52           HA       ALA  52   7.564   6.961  -3.466
  364   1HB   ALA  52          1HB       ALA  52   7.033   9.948  -3.244
  365   2HB   ALA  52          2HB       ALA  52   6.163   8.649  -2.396
  366   3HB   ALA  52          3HB       ALA  52   7.877   8.940  -2.051
  367    H    VAL  53           H        VAL  53   7.203   9.632  -5.829
  368    HA   VAL  53           HA       VAL  53   4.509   9.166  -6.524
  369    HB   VAL  53           HB       VAL  53   6.753  10.320  -8.232
  370   1HG1  VAL  53          1HG1      VAL  53   4.885  11.560  -9.352
  371   2HG1  VAL  53          2HG1      VAL  53   4.831   9.823  -9.652
  372   3HG1  VAL  53          3HG1      VAL  53   3.723  10.552  -8.467
  373   1HG2  VAL  53          1HG2      VAL  53   4.759  11.653  -6.338
  374   2HG2  VAL  53          2HG2      VAL  53   6.514  11.552  -6.090
  375   3HG2  VAL  53          3HG2      VAL  53   5.872  12.509  -7.423
  376    H    LYS  54           H        LYS  54   7.420   7.381  -7.500
  377    HA   LYS  54           HA       LYS  54   6.061   6.154  -9.798
  378   1HB   LYS  54          1HB       LYS  54   8.699   5.467  -8.453
  379   2HB   LYS  54          2HB       LYS  54   8.064   4.778  -9.957
  380   1HG   LYS  54          1HG       LYS  54   8.012   7.059 -10.981
  381   2HG   LYS  54          2HG       LYS  54   8.650   7.736  -9.487
  382   1HD   LYS  54          1HD       LYS  54  10.484   7.529 -11.012
  383   2HD   LYS  54          2HD       LYS  54  10.708   6.345  -9.720
  384   1HE   LYS  54          1HE       LYS  54  11.282   5.414 -11.923
  385   2HE   LYS  54          2HE       LYS  54   9.926   4.533 -11.218
  386   1HZ   LYS  54          1HZ       LYS  54   9.603   5.052 -13.532
  387   2HZ   LYS  54          2HZ       LYS  54   8.457   5.794 -12.615
  388   3HZ   LYS  54          3HZ       LYS  54   9.713   6.667 -13.232
  389    H    ILE  55           H        ILE  55   6.705   5.316  -6.423
  390    HA   ILE  55           HA       ILE  55   5.619   2.582  -6.717
  391    HB   ILE  55           HB       ILE  55   6.038   2.369  -4.368
  392   1HG1  ILE  55          1HG1      ILE  55   7.533   5.024  -4.667
  393   2HG1  ILE  55          2HG1      ILE  55   6.018   4.793  -3.757
  394   1HG2  ILE  55          1HG2      ILE  55   8.447   3.143  -6.047
  395   2HG2  ILE  55          2HG2      ILE  55   8.405   2.007  -4.678
  396   3HG2  ILE  55          3HG2      ILE  55   7.569   1.600  -6.172
  397   1HD1  ILE  55          1HD1      ILE  55   8.741   3.603  -3.240
  398   2HD1  ILE  55          2HD1      ILE  55   7.761   4.602  -2.155
  399   3HD1  ILE  55          3HD1      ILE  55   7.254   2.924  -2.539
  400    H    SER  56           H        SER  56   4.472   5.742  -5.722
  401    HA   SER  56           HA       SER  56   2.157   4.696  -4.257
  402   1HB   SER  56          1HB       SER  56   3.024   7.501  -5.001
  403   2HB   SER  56          2HB       SER  56   1.720   7.105  -3.898
  404    HG   SER  56           HG       SER  56   4.502   6.606  -3.664
  405    H    MET  57           H        MET  57   0.011   4.984  -4.778
  406    HA   MET  57           HA       MET  57  -0.734   5.343  -7.589
  407   1HB   MET  57          1HB       MET  57  -2.177   4.780  -4.988
  408   2HB   MET  57          2HB       MET  57  -3.087   5.263  -6.416
  409   1HG   MET  57          1HG       MET  57  -1.141   2.939  -6.370
  410   2HG   MET  57          2HG       MET  57  -2.877   2.760  -6.105
  411   1HE   MET  57          1HE       MET  57  -4.725   3.032  -7.923
  412   2HE   MET  57          2HE       MET  57  -4.219   4.709  -8.256
  413   3HE   MET  57          3HE       MET  57  -4.407   3.560  -9.593
  414    HA   PRO  58           HA       PRO  58  -0.646   9.835  -6.981
  415   1HB   PRO  58          1HB       PRO  58  -2.708   9.647  -9.200
  416   2HB   PRO  58          2HB       PRO  58  -1.386  10.836  -9.017
  417   1HG   PRO  58          1HG       PRO  58  -1.064   8.724 -10.682
  418   2HG   PRO  58          2HG       PRO  58   0.259   9.165  -9.561
  419   1HD   PRO  58          1HD       PRO  58  -1.772   6.945  -9.256
  420   2HD   PRO  58          2HD       PRO  58  -0.012   6.947  -8.932
  421    H    GLU  59           H        GLU  59  -1.809  11.089  -5.566
  422    HA   GLU  59           HA       GLU  59  -4.228  10.158  -4.344
  423   1HB   GLU  59          1HB       GLU  59  -2.718  12.795  -4.099
  424   2HB   GLU  59          2HB       GLU  59  -4.043  12.265  -3.054
  425   1HG   GLU  59          1HG       GLU  59  -2.746  10.222  -2.467
  426   2HG   GLU  59          2HG       GLU  59  -1.357  10.831  -3.378
  427    H    GLU  60           H        GLU  60  -5.275   9.997  -6.406
  428    HA   GLU  60           HA       GLU  60  -7.382  11.898  -6.842
  429   1HB   GLU  60          1HB       GLU  60  -4.951  11.973  -8.585
  430   2HB   GLU  60          2HB       GLU  60  -6.428  11.611  -9.486
  431   1HG   GLU  60          1HG       GLU  60  -7.550  13.589  -8.571
  432   2HG   GLU  60          2HG       GLU  60  -6.103  13.973  -7.621
  433    H    GLU  61           H        GLU  61  -5.388   9.258  -8.137
  434    HA   GLU  61           HA       GLU  61  -7.623   7.746  -9.221
  435   1HB   GLU  61          1HB       GLU  61  -4.681   7.100  -8.719
  436   2HB   GLU  61          2HB       GLU  61  -5.820   6.063  -9.596
  437   1HG   GLU  61          1HG       GLU  61  -6.146   7.778 -11.317
  438   2HG   GLU  61          2HG       GLU  61  -5.115   8.909 -10.431
  439    H    LEU  62           H        LEU  62  -8.410   5.752  -8.335
  440    HA   LEU  62           HA       LEU  62  -7.451   4.799  -5.782
  441   1HB   LEU  62          1HB       LEU  62  -9.639   5.167  -4.597
  442   2HB   LEU  62          2HB       LEU  62  -8.518   6.503  -4.779
  443    HG   LEU  62           HG       LEU  62  -9.973   7.302  -6.762
  444   1HD1  LEU  62          1HD1      LEU  62 -12.362   6.574  -6.603
  445   2HD1  LEU  62          2HD1      LEU  62 -11.314   5.280  -7.188
  446   3HD1  LEU  62          3HD1      LEU  62 -11.880   5.266  -5.505
  447   1HD2  LEU  62          1HD2      LEU  62 -11.520   8.354  -5.148
  448   2HD2  LEU  62          2HD2      LEU  62 -11.003   7.170  -3.916
  449   3HD2  LEU  62          3HD2      LEU  62  -9.833   8.325  -4.584
  450    H    LEU  63           H        LEU  63  -8.669   3.009  -5.013
  451    HA   LEU  63           HA       LEU  63  -9.829   1.251  -7.099
  452   1HB   LEU  63          1HB       LEU  63  -8.851   0.575  -4.305
  453   2HB   LEU  63          2HB       LEU  63  -9.202  -0.539  -5.629
  454    HG   LEU  63           HG       LEU  63  -6.887   1.457  -5.481
  455   1HD1  LEU  63          1HD1      LEU  63  -6.762  -0.502  -3.974
  456   2HD1  LEU  63          2HD1      LEU  63  -6.958  -1.580  -5.372
  457   3HD1  LEU  63          3HD1      LEU  63  -5.518  -0.549  -5.230
  458   1HD2  LEU  63          1HD2      LEU  63  -7.586   1.147  -7.847
  459   2HD2  LEU  63          2HD2      LEU  63  -6.040   0.351  -7.524
  460   3HD2  LEU  63          3HD2      LEU  63  -7.520  -0.617  -7.632
  461    H    ASN  64           H        ASN  64 -11.999   0.695  -6.803
  462    HA   ASN  64           HA       ASN  64 -13.343   1.379  -4.223
  463   1HB   ASN  64          1HB       ASN  64 -13.620   3.331  -5.679
  464   2HB   ASN  64          2HB       ASN  64 -14.280   2.308  -6.963
  465   1HD2  ASN  64          1HD2      ASN  64 -17.531   2.295  -5.548
  466   2HD2  ASN  64          2HD2      ASN  64 -16.515   1.888  -6.917
  467    H    ALA  65           H        ALA  65 -13.699  -0.226  -7.459
  468    HA   ALA  65           HA       ALA  65 -16.011  -1.665  -6.588
  469   1HB   ALA  65          1HB       ALA  65 -15.686  -3.014  -8.610
  470   2HB   ALA  65          2HB       ALA  65 -15.585  -1.272  -8.936
  471   3HB   ALA  65          3HB       ALA  65 -14.109  -2.253  -8.875
  472    HA   PRO  66           HA       PRO  66 -13.957  -4.520  -3.816
  473   1HB   PRO  66          1HB       PRO  66 -15.991  -6.470  -4.922
  474   2HB   PRO  66          2HB       PRO  66 -15.495  -6.223  -3.221
  475   1HG   PRO  66          1HG       PRO  66 -17.801  -5.126  -4.155
  476   2HG   PRO  66          2HG       PRO  66 -16.713  -4.174  -3.110
  477   1HD   PRO  66          1HD       PRO  66 -17.023  -4.011  -6.103
  478   2HD   PRO  66          2HD       PRO  66 -16.799  -2.714  -4.883
  479    H    GLY  67           H        GLY  67 -12.070  -5.725  -4.173
  480   1HA   GLY  67          1HA       GLY  67 -10.954  -7.560  -5.052
  481   2HA   GLY  67          2HA       GLY  67 -11.984  -7.611  -6.476
  482    H    GLU  68           H        GLU  68 -11.468  -4.464  -6.733
  483    HA   GLU  68           HA       GLU  68  -9.491  -4.643  -8.699
  484   1HB   GLU  68          1HB       GLU  68 -10.304  -2.296  -6.945
  485   2HB   GLU  68          2HB       GLU  68  -9.141  -2.159  -8.278
  486   1HG   GLU  68          1HG       GLU  68 -10.801  -3.025  -9.878
  487   2HG   GLU  68          2HG       GLU  68 -12.003  -3.141  -8.593
  488    H    THR  69           H        THR  69  -7.324  -4.967  -8.724
  489    HA   THR  69           HA       THR  69  -5.810  -4.949  -6.199
  490    HB   THR  69           HB       THR  69  -4.242  -6.259  -7.844
  491    HG1  THR  69           HG1      THR  69  -5.470  -7.231  -9.529
  492   1HG2  THR  69          1HG2      THR  69  -6.914  -7.469  -7.040
  493   2HG2  THR  69          2HG2      THR  69  -5.428  -8.358  -7.415
  494   3HG2  THR  69          3HG2      THR  69  -5.490  -7.318  -5.983
  495    OH   TYR  70           OH       TYR  70   2.038   1.479  -7.312
  496    H    TYR  70           H        TYR  70  -4.001  -3.710  -5.944
  497    HA   TYR  70           HA       TYR  70  -2.951  -2.164  -8.284
  498   1HB   TYR  70          1HB       TYR  70  -3.774  -0.550  -6.691
  499   2HB   TYR  70          2HB       TYR  70  -3.032  -1.397  -5.342
  500    HD1  TYR  70           HD2      TYR  70  -1.935  -0.145  -8.741
  501    HD2  TYR  70           HD1      TYR  70  -1.079  -0.320  -4.515
  502    HE1  TYR  70           HE2      TYR  70   0.284   0.862  -9.143
  503    HE2  TYR  70           HE1      TYR  70   1.099   0.787  -4.920
  504    HH   TYR  70           HH       TYR  70   2.496   1.778  -6.518
  505    H    VAL  71           H        VAL  71  -1.120  -3.135  -8.938
  506    HA   VAL  71           HA       VAL  71   0.401  -4.779  -7.000
  507    HB   VAL  71           HB       VAL  71   0.540  -4.797 -10.031
  508   1HG1  VAL  71          1HG1      VAL  71   2.563  -5.686  -8.971
  509   2HG1  VAL  71          2HG1      VAL  71   1.589  -6.662  -7.853
  510   3HG1  VAL  71          3HG1      VAL  71   1.606  -7.037  -9.591
  511   1HG2  VAL  71          1HG2      VAL  71  -0.762  -6.931  -9.834
  512   2HG2  VAL  71          2HG2      VAL  71  -1.041  -6.564  -8.120
  513   3HG2  VAL  71          3HG2      VAL  71  -1.711  -5.513  -9.383
  514    H    VAL  72           H        VAL  72   2.541  -4.337  -6.559
  515    HA   VAL  72           HA       VAL  72   4.012  -2.358  -8.181
  516    HB   VAL  72           HB       VAL  72   2.879  -1.058  -6.394
  517   1HG1  VAL  72          1HG1      VAL  72   4.507  -2.737  -4.437
  518   2HG1  VAL  72          2HG1      VAL  72   3.544  -1.301  -4.056
  519   3HG1  VAL  72          3HG1      VAL  72   2.738  -2.772  -4.638
  520   1HG2  VAL  72          1HG2      VAL  72   5.080  -0.332  -7.276
  521   2HG2  VAL  72          2HG2      VAL  72   4.807   0.159  -5.597
  522   3HG2  VAL  72          3HG2      VAL  72   5.886  -1.199  -5.947
  523    H    THR  73           H        THR  73   6.372  -2.601  -7.782
  524    HA   THR  73           HA       THR  73   7.113  -5.153  -6.427
  525    HB   THR  73           HB       THR  73   8.149  -4.265  -9.149
  526    HG1  THR  73           HG1      THR  73   5.967  -5.879  -8.400
  527   1HG2  THR  73          1HG2      THR  73   9.602  -5.823  -7.811
  528   2HG2  THR  73          2HG2      THR  73   8.236  -6.955  -7.705
  529   3HG2  THR  73          3HG2      THR  73   8.958  -6.579  -9.279
  530    H    LEU  74           H        LEU  74   8.678  -4.798  -4.984
  531    HA   LEU  74           HA       LEU  74  10.269  -2.264  -5.199
  532   1HB   LEU  74          1HB       LEU  74   9.527  -3.839  -2.726
  533   2HB   LEU  74          2HB       LEU  74  10.415  -2.307  -2.817
  534    HG   LEU  74           HG       LEU  74   7.493  -2.747  -3.603
  535   1HD1  LEU  74          1HD1      LEU  74   8.698  -1.175  -1.293
  536   2HD1  LEU  74          2HD1      LEU  74   6.974  -1.374  -1.658
  537   3HD1  LEU  74          3HD1      LEU  74   7.939  -2.773  -1.156
  538   1HD2  LEU  74          1HD2      LEU  74   9.199  -0.218  -3.628
  539   2HD2  LEU  74          2HD2      LEU  74   8.397  -0.969  -5.022
  540   3HD2  LEU  74          3HD2      LEU  74   7.427  -0.236  -3.745
  541    H    ASP  75           H        ASP  75  12.064  -2.838  -6.247
  542    HA   ASP  75           HA       ASP  75  13.490  -5.336  -5.685
  543   1HB   ASP  75          1HB       ASP  75  14.984  -4.645  -7.413
  544   2HB   ASP  75          2HB       ASP  75  13.334  -4.359  -7.978
  545    H    THR  76           H        THR  76  13.918  -1.829  -5.043
  546    HA   THR  76           HA       THR  76  16.500  -2.144  -3.851
  547    HB   THR  76           HB       THR  76  14.538   0.148  -3.492
  548    HG1  THR  76           HG1      THR  76  16.177  -0.508  -5.708
  549   1HG2  THR  76          1HG2      THR  76  17.584   0.056  -3.672
  550   2HG2  THR  76          2HG2      THR  76  16.586   1.515  -3.500
  551   3HG2  THR  76          3HG2      THR  76  16.633   0.320  -2.192
  552    H    LYS  77           H        LYS  77  16.777  -3.215  -1.971
  553    HA   LYS  77           HA       LYS  77  14.757  -3.750  -0.066
  554   1HB   LYS  77          1HB       LYS  77  16.601  -4.554   1.355
  555   2HB   LYS  77          2HB       LYS  77  16.788  -5.116  -0.311
  556   1HG   LYS  77          1HG       LYS  77  18.481  -3.337  -0.719
  557   2HG   LYS  77          2HG       LYS  77  18.286  -2.769   0.948
  558   1HD   LYS  77          1HD       LYS  77  18.969  -5.020   1.780
  559   2HD   LYS  77          2HD       LYS  77  19.223  -5.557   0.111
  560   1HE   LYS  77          1HE       LYS  77  20.705  -3.265   1.497
  561   2HE   LYS  77          2HE       LYS  77  21.340  -4.895   1.220
  562   1HZ   LYS  77          1HZ       LYS  77  21.118  -4.513  -1.134
  563   2HZ   LYS  77          2HZ       LYS  77  20.573  -2.981  -0.869
  564   3HZ   LYS  77          3HZ       LYS  77  22.104  -3.395  -0.436
  565    H    GLY  78           H        GLY  78  14.448  -3.030   2.084
  566   1HA   GLY  78          1HA       GLY  78  15.534  -1.118   3.595
  567   2HA   GLY  78          2HA       GLY  78  14.771  -0.101   2.354
  568    H    THR  79           H        THR  79  13.562   0.655   4.312
  569    HA   THR  79           HA       THR  79  11.217  -1.071   4.966
  570    HB   THR  79           HB       THR  79  12.376   1.248   6.563
  571    HG1  THR  79           HG1      THR  79  12.716  -1.555   6.854
  572   1HG2  THR  79          1HG2      THR  79  10.990   0.277   8.376
  573   2HG2  THR  79          2HG2      THR  79   9.986   0.774   7.003
  574   3HG2  THR  79          3HG2      THR  79  10.358  -0.946   7.252
  575    OH   TYR  80           OH       TYR  80  12.067   0.090  -2.396
  576    H    TYR  80           H        TYR  80   9.363  -0.361   4.087
  577    HA   TYR  80           HA       TYR  80   9.185   2.463   3.096
  578   1HB   TYR  80          1HB       TYR  80   8.094  -0.133   1.987
  579   2HB   TYR  80          2HB       TYR  80   7.605   1.456   1.441
  580    HD1  TYR  80           HD1      TYR  80  10.720  -0.634   1.869
  581    HD2  TYR  80           HD2      TYR  80   8.553   2.236  -0.515
  582    HE1  TYR  80           HE1      TYR  80  12.317  -0.955   0.027
  583    HE2  TYR  80           HE2      TYR  80  10.111   1.841  -2.385
  584    HH   TYR  80           HH       TYR  80  12.725  -0.580  -2.181
  585    H    SER  81           H        SER  81   7.798   3.563   4.416
  586    HA   SER  81           HA       SER  81   5.531   2.121   5.684
  587   1HB   SER  81          1HB       SER  81   6.362   5.022   5.870
  588   2HB   SER  81          2HB       SER  81   5.116   4.223   6.842
  589    HG   SER  81           HG       SER  81   7.237   4.370   7.852
  590    H    PHE  82           H        PHE  82   3.355   2.413   5.026
  591    HA   PHE  82           HA       PHE  82   2.861   4.335   2.845
  592   1HB   PHE  82          1HB       PHE  82   1.615   2.607   1.573
  593   2HB   PHE  82          2HB       PHE  82   3.315   2.315   1.673
  594    HD1  PHE  82           HD2      PHE  82   0.037   1.366   3.213
  595    HD2  PHE  82           HD1      PHE  82   4.134   0.134   2.534
  596    HE1  PHE  82           HE2      PHE  82  -0.414  -0.803   4.284
  597    HE2  PHE  82           HE1      PHE  82   3.618  -2.046   3.536
  598    HZ   PHE  82           HZ       PHE  82   1.375  -2.501   4.495
  599    OH   TYR  83           OH       TYR  83   0.512  10.688   1.302
  600    H    TYR  83           H        TYR  83   0.607   4.557   2.316
  601    HA   TYR  83           HA       TYR  83  -1.313   4.049   4.466
  602   1HB   TYR  83          1HB       TYR  83  -1.774   6.369   4.929
  603   2HB   TYR  83          2HB       TYR  83  -0.066   6.064   5.233
  604    HD1  TYR  83           HD2      TYR  83   1.682   7.015   3.718
  605    HD2  TYR  83           HD1      TYR  83  -2.506   7.869   3.194
  606    HE1  TYR  83           HE2      TYR  83   2.252   9.032   2.391
  607    HE2  TYR  83           HE1      TYR  83  -1.930   9.872   1.857
  608    HH   TYR  83           HH       TYR  83  -0.233  11.029   0.793
  609    H    CYS  84           H        CYS  84  -3.453   4.766   3.995
  610    HA   CYS  84           HA       CYS  84  -4.105   4.841   1.058
  611   1HB   CYS  84          1HB       CYS  84  -5.194   2.982   2.225
  612   2HB   CYS  84          2HB       CYS  84  -5.607   4.055   3.571
  613    H    SER  85           H        SER  85  -4.075   6.983   0.466
  614    HA   SER  85           HA       SER  85  -4.236   9.065   2.147
  615   1HB   SER  85          1HB       SER  85  -5.238   9.555  -0.635
  616   2HB   SER  85          2HB       SER  85  -4.098  10.449   0.358
  617    HG   SER  85           HG       SER  85  -2.589   8.822   0.055
  618    HA   PRO  86           HA       PRO  86  -9.031   9.707   1.379
  619   1HB   PRO  86          1HB       PRO  86  -9.698   6.768   1.137
  620   2HB   PRO  86          2HB       PRO  86 -10.585   8.171   0.479
  621   1HG   PRO  86          1HG       PRO  86  -8.974   6.736  -1.156
  622   2HG   PRO  86          2HG       PRO  86  -8.901   8.522  -1.200
  623   1HD   PRO  86          1HD       PRO  86  -7.044   6.630   0.244
  624   2HD   PRO  86          2HD       PRO  86  -6.657   8.009  -0.796
  625    H    HIS  87           H        HIS  87  -7.329   7.281   3.301
  626    HA   HIS  87           HA       HIS  87  -9.103   7.884   5.620
  627   1HB   HIS  87          1HB       HIS  87  -8.037   5.179   4.785
  628   2HB   HIS  87          2HB       HIS  87  -8.942   5.499   6.259
  629    HD2  HIS  87           HD2      HIS  87 -11.487   6.895   5.548
  630    HE1  HIS  87           HE1      HIS  87 -12.103   4.154   2.367
  631    HE2  HIS  87           HE2      HIS  87 -13.209   5.859   3.872
  632    H    GLN  88           H        GLN  88  -6.399   8.892   4.619
  633    HA   GLN  88           HA       GLN  88  -4.374   7.742   6.258
  634   1HB   GLN  88          1HB       GLN  88  -3.995   9.243   4.337
  635   2HB   GLN  88          2HB       GLN  88  -4.622  10.614   5.254
  636   1HG   GLN  88          1HG       GLN  88  -2.774  10.350   6.895
  637   2HG   GLN  88          2HG       GLN  88  -2.211   8.907   6.028
  638   1HE2  GLN  88          1HE2      GLN  88   0.049  11.336   4.630
  639   2HE2  GLN  88          2HE2      GLN  88  -0.120  10.199   5.954
  640    H    GLY  89           H        GLY  89  -6.528  10.553   6.768
  641   1HA   GLY  89          1HA       GLY  89  -5.748  11.276   9.378
  642   2HA   GLY  89          2HA       GLY  89  -7.356  11.533   8.673
  643    H    ALA  90           H        ALA  90  -7.899   8.669   8.249
  644    HA   ALA  90           HA       ALA  90  -8.873   8.012  10.921
  645   1HB   ALA  90          1HB       ALA  90 -10.268   7.720   8.899
  646   2HB   ALA  90          2HB       ALA  90  -9.123   6.495   8.304
  647   3HB   ALA  90          3HB       ALA  90 -10.043   6.201   9.791
  648    H    GLY  91           H        GLY  91  -5.833   7.615   9.601
  649   1HA   GLY  91          1HA       GLY  91  -4.079   6.457  10.445
  650   2HA   GLY  91          2HA       GLY  91  -5.146   5.568  11.535
  651    H    MET  92           H        MET  92  -5.883   5.541   8.034
  652    HA   MET  92           HA       MET  92  -5.360   2.656   8.057
  653   1HB   MET  92          1HB       MET  92  -7.306   3.586   6.891
  654   2HB   MET  92          2HB       MET  92  -6.225   4.393   5.737
  655   1HG   MET  92          1HG       MET  92  -5.386   2.262   4.938
  656   2HG   MET  92          2HG       MET  92  -6.064   1.410   6.311
  657   1HE   MET  92          1HE       MET  92  -6.760  -0.484   4.960
  658   2HE   MET  92          2HE       MET  92  -7.808  -0.437   3.533
  659   3HE   MET  92          3HE       MET  92  -6.167   0.247   3.455
  660    H    VAL  93           H        VAL  93  -3.165   2.784   8.603
  661    HA   VAL  93           HA       VAL  93  -1.298   3.339   6.352
  662    HB   VAL  93           HB       VAL  93   0.362   4.080   7.906
  663   1HG1  VAL  93          1HG1      VAL  93  -1.373   5.750   7.124
  664   2HG1  VAL  93          2HG1      VAL  93  -2.213   5.527   8.665
  665   3HG1  VAL  93          3HG1      VAL  93  -0.563   6.170   8.641
  666   1HG2  VAL  93          1HG2      VAL  93  -0.121   4.365  10.313
  667   2HG2  VAL  93          2HG2      VAL  93  -1.691   3.566  10.096
  668   3HG2  VAL  93          3HG2      VAL  93  -0.182   2.659   9.841
  669    H    GLY  94           H        GLY  94   0.834   2.141   6.623
  670   1HA   GLY  94          1HA       GLY  94   0.924  -0.253   8.182
  671   2HA   GLY  94          2HA       GLY  94   0.485  -0.621   6.506
  672    H    LYS  95           H        LYS  95   2.846  -1.683   7.083
  673    HA   LYS  95           HA       LYS  95   4.828   0.035   5.756
  674   1HB   LYS  95          1HB       LYS  95   5.399  -1.307   8.431
  675   2HB   LYS  95          2HB       LYS  95   6.539  -0.366   7.454
  676   1HG   LYS  95          1HG       LYS  95   5.018   1.650   7.805
  677   2HG   LYS  95          2HG       LYS  95   4.111   0.688   8.971
  678   1HD   LYS  95          1HD       LYS  95   7.066   1.450   9.086
  679   2HD   LYS  95          2HD       LYS  95   5.769   2.119  10.079
  680   1HE   LYS  95          1HE       LYS  95   6.830  -0.745  10.163
  681   2HE   LYS  95          2HE       LYS  95   7.032   0.504  11.392
  682   1HZ   LYS  95          1HZ       LYS  95   5.310  -1.030  11.944
  683   2HZ   LYS  95          2HZ       LYS  95   4.674   0.483  11.745
  684   3HZ   LYS  95          3HZ       LYS  95   4.465  -0.667  10.579
  685    H    VAL  96           H        VAL  96   6.521  -1.123   4.774
  686    HA   VAL  96           HA       VAL  96   6.381  -4.075   4.986
  687    HB   VAL  96           HB       VAL  96   5.040  -3.637   3.114
  688   1HG1  VAL  96          1HG1      VAL  96   7.314  -2.159   1.743
  689   2HG1  VAL  96          2HG1      VAL  96   5.669  -2.404   1.142
  690   3HG1  VAL  96          3HG1      VAL  96   5.947  -1.315   2.508
  691   1HG2  VAL  96          1HG2      VAL  96   6.669  -5.507   3.006
  692   2HG2  VAL  96          2HG2      VAL  96   6.161  -4.873   1.424
  693   3HG2  VAL  96          3HG2      VAL  96   7.756  -4.449   2.072
  694    H    THR  97           H        THR  97   8.244  -5.013   5.129
  695    HA   THR  97           HA       THR  97  10.736  -3.407   4.958
  696    HB   THR  97           HB       THR  97  10.492  -6.188   6.133
  697    HG1  THR  97           HG1      THR  97   8.879  -5.028   7.126
  698   1HG2  THR  97          1HG2      THR  97  12.290  -5.375   7.571
  699   2HG2  THR  97          2HG2      THR  97  12.743  -5.210   5.861
  700   3HG2  THR  97          3HG2      THR  97  12.229  -3.782   6.792
  701    H    VAL  98           H        VAL  98  11.494  -3.466   2.831
  702    HA   VAL  98           HA       VAL  98  11.112  -5.864   1.197
  703    HB   VAL  98           HB       VAL  98  12.505  -3.220   0.654
  704   1HG1  VAL  98          1HG1      VAL  98  11.484  -5.375  -1.254
  705   2HG1  VAL  98          2HG1      VAL  98  12.282  -3.852  -1.703
  706   3HG1  VAL  98          3HG1      VAL  98  13.194  -5.111  -0.861
  707   1HG2  VAL  98          1HG2      VAL  98  10.082  -2.909   1.136
  708   2HG2  VAL  98          2HG2      VAL  98  10.420  -2.700  -0.580
  709   3HG2  VAL  98          3HG2      VAL  98   9.689  -4.209  -0.005
  710    H    ASN  99           H        ASN  99  12.345  -7.504   1.955
  711    HA   ASN  99           HA       ASN  99  15.293  -7.114   2.232
  712   1HB   ASN  99          1HB       ASN  99  15.332  -8.459   4.219
  713   2HB   ASN  99          2HB       ASN  99  14.243  -7.095   4.497
  714   1HD2  ASN  99          1HD2      ASN  99  12.665 -10.228   5.838
  715   2HD2  ASN  99          2HD2      ASN  99  14.162  -9.367   6.137
   
  Start of MODEL          10
 Raw file had 715 H/Q atoms
  Start of MODEL   10
    1    H    LEU   1           H        LEU   1   3.644  -9.619  -2.628
    2    HA   LEU   1           HA       LEU   1   2.603 -11.623  -1.314
    3   1HB   LEU   1          1HB       LEU   1   3.206  -9.549   0.840
    4   2HB   LEU   1          2HB       LEU   1   1.902 -10.717   1.020
    5    HG   LEU   1           HG       LEU   1   3.513 -12.593   0.739
    6   1HD1  LEU   1          1HD1      LEU   1   5.579 -10.362   0.971
    7   2HD1  LEU   1          2HD1      LEU   1   5.930 -12.089   1.185
    8   3HD1  LEU   1          3HD1      LEU   1   5.395 -11.496  -0.389
    9   1HD2  LEU   1          1HD2      LEU   1   4.034 -10.644   3.024
   10   2HD2  LEU   1          2HD2      LEU   1   2.713 -11.828   2.945
   11   3HD2  LEU   1          3HD2      LEU   1   4.393 -12.384   3.038
   12    H    GLU   2           H        GLU   2   0.284 -11.597  -0.870
   13    HA   GLU   2           HA       GLU   2  -1.037  -9.308  -2.127
   14   1HB   GLU   2          1HB       GLU   2  -3.066 -10.560  -1.952
   15   2HB   GLU   2          2HB       GLU   2  -1.798 -11.572  -2.656
   16   1HG   GLU   2          1HG       GLU   2  -1.483 -12.679  -0.420
   17   2HG   GLU   2          2HG       GLU   2  -2.778 -11.658   0.231
   18    H    VAL   3           H        VAL   3  -2.206  -7.758  -1.069
   19    HA   VAL   3           HA       VAL   3  -2.306  -7.862   1.908
   20    HB   VAL   3           HB       VAL   3  -1.590  -5.468   0.167
   21   1HG1  VAL   3          1HG1      VAL   3  -2.872  -4.807   2.155
   22   2HG1  VAL   3          2HG1      VAL   3  -1.818  -5.796   3.191
   23   3HG1  VAL   3          3HG1      VAL   3  -1.170  -4.364   2.373
   24   1HG2  VAL   3          1HG2      VAL   3   0.319  -7.009   0.315
   25   2HG2  VAL   3          2HG2      VAL   3   0.606  -5.548   1.263
   26   3HG2  VAL   3          3HG2      VAL   3   0.167  -7.059   2.082
   27    H    LEU   4           H        LEU   4  -4.377  -7.585   2.609
   28    HA   LEU   4           HA       LEU   4  -6.453  -6.816   0.640
   29   1HB   LEU   4          1HB       LEU   4  -6.699  -7.685   3.535
   30   2HB   LEU   4          2HB       LEU   4  -8.017  -7.427   2.406
   31    HG   LEU   4           HG       LEU   4  -5.893  -9.606   2.320
   32   1HD1  LEU   4          1HD1      LEU   4  -7.829  -9.902   3.860
   33   2HD1  LEU   4          2HD1      LEU   4  -8.941  -9.686   2.488
   34   3HD1  LEU   4          3HD1      LEU   4  -7.847 -11.085   2.538
   35   1HD2  LEU   4          1HD2      LEU   4  -6.222  -8.981  -0.008
   36   2HD2  LEU   4          2HD2      LEU   4  -7.115 -10.471   0.300
   37   3HD2  LEU   4          3HD2      LEU   4  -7.990  -8.929   0.208
   38    H    LEU   5           H        LEU   5  -7.065  -4.791   0.410
   39    HA   LEU   5           HA       LEU   5  -6.302  -2.685   2.298
   40   1HB   LEU   5          1HB       LEU   5  -7.967  -2.627  -0.212
   41   2HB   LEU   5          2HB       LEU   5  -7.430  -1.218   0.702
   42    HG   LEU   5           HG       LEU   5  -5.508  -3.182  -0.617
   43   1HD1  LEU   5          1HD1      LEU   5  -5.215  -1.391  -2.316
   44   2HD1  LEU   5          2HD1      LEU   5  -6.864  -2.031  -2.322
   45   3HD1  LEU   5          3HD1      LEU   5  -6.517  -0.466  -1.551
   46   1HD2  LEU   5          1HD2      LEU   5  -3.931  -1.228  -0.256
   47   2HD2  LEU   5          2HD2      LEU   5  -5.197  -0.430   0.686
   48   3HD2  LEU   5          3HD2      LEU   5  -4.509  -1.977   1.235
   49    H    GLY   6           H        GLY   6  -7.402  -2.956   4.222
   50   1HA   GLY   6          1HA       GLY   6  -9.269  -2.376   5.505
   51   2HA   GLY   6          2HA       GLY   6 -10.361  -2.717   4.168
   52    H    SER   7           H        SER   7 -10.031  -3.877   7.036
   53    HA   SER   7           HA       SER   7  -9.319  -6.638   6.609
   54   1HB   SER   7          1HB       SER   7 -10.007  -6.837   8.984
   55   2HB   SER   7          2HB       SER   7  -8.890  -5.486   8.748
   56    HG   SER   7           HG       SER   7 -10.735  -4.092   8.684
   57    H    GLY   8           H        GLY   8 -10.742  -8.291   6.982
   58   1HA   GLY   8          1HA       GLY   8 -13.117  -8.414   5.441
   59   2HA   GLY   8          2HA       GLY   8 -12.668  -9.589   6.693
   60    H    ASP   9           H        ASP   9 -12.631  -7.691   8.879
   61    HA   ASP   9           HA       ASP   9 -15.453  -7.698   9.566
   62   1HB   ASP   9          1HB       ASP   9 -14.707  -6.884  11.725
   63   2HB   ASP   9          2HB       ASP   9 -13.699  -8.239  11.210
   64    H    GLY  10           H        GLY  10 -13.670  -5.509   7.694
   65   1HA   GLY  10          1HA       GLY  10 -14.690  -3.637   6.746
   66   2HA   GLY  10          2HA       GLY  10 -15.686  -3.375   8.176
   67    H    SER  11           H        SER  11 -12.985  -3.826   9.839
   68    HA   SER  11           HA       SER  11 -12.516  -1.084  10.213
   69   1HB   SER  11          1HB       SER  11 -11.967  -2.692  11.910
   70   2HB   SER  11          2HB       SER  11 -10.644  -3.373  10.933
   71    HG   SER  11           HG       SER  11  -9.951  -1.773  12.460
   72    H    LEU  12           H        LEU  12 -11.260   0.361   9.359
   73    HA   LEU  12           HA       LEU  12 -10.158   0.012   6.717
   74   1HB   LEU  12          1HB       LEU  12 -10.155   2.354   8.671
   75   2HB   LEU  12          2HB       LEU  12  -9.744   2.470   6.962
   76    HG   LEU  12           HG       LEU  12 -12.495   1.580   7.956
   77   1HD1  LEU  12          1HD1      LEU  12 -12.063   3.855   8.719
   78   2HD1  LEU  12          2HD1      LEU  12 -11.518   4.329   7.101
   79   3HD1  LEU  12          3HD1      LEU  12 -13.215   3.878   7.375
   80   1HD2  LEU  12          1HD2      LEU  12 -11.965   0.863   5.651
   81   2HD2  LEU  12          2HD2      LEU  12 -13.180   2.145   5.647
   82   3HD2  LEU  12          3HD2      LEU  12 -11.498   2.528   5.232
   83    H    VAL  13           H        VAL  13  -8.630  -1.681   7.572
   84    HA   VAL  13           HA       VAL  13  -5.991  -0.365   8.037
   85    HB   VAL  13           HB       VAL  13  -5.325  -2.206   9.515
   86   1HG1  VAL  13          1HG1      VAL  13  -6.152  -0.054  10.451
   87   2HG1  VAL  13          2HG1      VAL  13  -7.783  -0.748  10.574
   88   3HG1  VAL  13          3HG1      VAL  13  -6.455  -1.436  11.522
   89   1HG2  VAL  13          1HG2      VAL  13  -6.978  -3.680  10.562
   90   2HG2  VAL  13          2HG2      VAL  13  -8.265  -3.022   9.540
   91   3HG2  VAL  13          3HG2      VAL  13  -6.934  -3.951   8.815
   92    H    PHE  14           H        PHE  14  -4.202  -1.488   7.153
   93    HA   PHE  14           HA       PHE  14  -4.842  -3.073   4.748
   94   1HB   PHE  14          1HB       PHE  14  -2.251  -2.084   6.017
   95   2HB   PHE  14          2HB       PHE  14  -2.308  -3.111   4.602
   96    HD1  PHE  14           HD1      PHE  14  -3.307   0.266   5.896
   97    HD2  PHE  14           HD2      PHE  14  -2.391  -2.156   2.446
   98    HE1  PHE  14           HE1      PHE  14  -3.108   2.292   4.492
   99    HE2  PHE  14           HE2      PHE  14  -2.071  -0.136   1.117
  100    HZ   PHE  14           HZ       PHE  14  -2.581   2.103   2.072
  101    H    VAL  15           H        VAL  15  -4.626  -5.363   4.707
  102    HA   VAL  15           HA       VAL  15  -3.497  -6.643   7.186
  103    HB   VAL  15           HB       VAL  15  -5.843  -7.606   5.551
  104   1HG1  VAL  15          1HG1      VAL  15  -4.518  -9.458   6.513
  105   2HG1  VAL  15          2HG1      VAL  15  -4.553  -8.665   8.103
  106   3HG1  VAL  15          3HG1      VAL  15  -6.051  -9.272   7.371
  107   1HG2  VAL  15          1HG2      VAL  15  -7.114  -7.144   7.654
  108   2HG2  VAL  15          2HG2      VAL  15  -5.687  -6.312   8.304
  109   3HG2  VAL  15          3HG2      VAL  15  -6.525  -5.674   6.870
  110    HA   PRO  16           HA       PRO  16  -1.683  -7.747   7.706
  111   1HB   PRO  16          1HB       PRO  16   1.006  -7.754   7.322
  112   2HB   PRO  16          2HB       PRO  16   0.013  -9.238   7.260
  113   1HG   PRO  16          1HG       PRO  16   0.907  -7.535   4.909
  114   2HG   PRO  16          2HG       PRO  16   1.105  -9.302   5.108
  115   1HD   PRO  16          1HD       PRO  16  -0.968  -8.273   3.709
  116   2HD   PRO  16          2HD       PRO  16  -1.239  -9.661   4.788
  117    H    SER  17           H        SER  17  -0.866  -5.962   8.894
  118    HA   SER  17           HA       SER  17  -0.943  -3.392   7.528
  119   1HB   SER  17          1HB       SER  17  -0.309  -3.832  10.459
  120   2HB   SER  17          2HB       SER  17  -1.154  -2.486   9.672
  121    HG   SER  17           HG       SER  17  -2.752  -4.210   9.082
  122    H    GLU  18           H        GLU  18   1.445  -5.360   9.313
  123    HA   GLU  18           HA       GLU  18   3.673  -3.754   8.188
  124   1HB   GLU  18          1HB       GLU  18   3.302  -3.143  10.545
  125   2HB   GLU  18          2HB       GLU  18   3.437  -4.849  11.019
  126   1HG   GLU  18          1HG       GLU  18   5.766  -4.923  10.291
  127   2HG   GLU  18          2HG       GLU  18   5.642  -3.315   9.563
  128    H    PHE  19           H        PHE  19   5.216  -5.100   7.212
  129    HA   PHE  19           HA       PHE  19   5.524  -7.865   7.975
  130   1HB   PHE  19          1HB       PHE  19   4.746  -8.893   5.922
  131   2HB   PHE  19          2HB       PHE  19   3.424  -8.038   6.668
  132    HD1  PHE  19           HD1      PHE  19   2.811  -5.664   5.753
  133    HD2  PHE  19           HD2      PHE  19   5.272  -8.515   3.629
  134    HE1  PHE  19           HE1      PHE  19   2.191  -4.615   3.611
  135    HE2  PHE  19           HE2      PHE  19   4.640  -7.449   1.490
  136    HZ   PHE  19           HZ       PHE  19   3.111  -5.492   1.475
  137    H    SER  20           H        SER  20   6.897  -8.959   6.041
  138    HA   SER  20           HA       SER  20   8.872  -7.011   5.028
  139   1HB   SER  20          1HB       SER  20   9.531  -9.742   6.223
  140   2HB   SER  20          2HB       SER  20  10.678  -8.535   5.612
  141    HG   SER  20           HG       SER  20   8.887  -8.127   7.792
  142    H    VAL  21           H        VAL  21   9.793  -7.671   2.954
  143    HA   VAL  21           HA       VAL  21   8.492 -10.003   1.697
  144    HB   VAL  21           HB       VAL  21   7.016  -8.195   1.323
  145   1HG1  VAL  21          1HG1      VAL  21   9.227  -6.661  -0.099
  146   2HG1  VAL  21          2HG1      VAL  21   7.549  -6.169   0.152
  147   3HG1  VAL  21          3HG1      VAL  21   8.649  -6.280   1.536
  148   1HG2  VAL  21          1HG2      VAL  21   8.586  -8.693  -1.220
  149   2HG2  VAL  21          2HG2      VAL  21   7.458  -9.860  -0.495
  150   3HG2  VAL  21          3HG2      VAL  21   6.862  -8.288  -1.065
  151    HA   PRO  22           HA       PRO  22  12.729 -10.458   0.271
  152   1HB   PRO  22          1HB       PRO  22  11.386 -12.149  -1.819
  153   2HB   PRO  22          2HB       PRO  22  12.853 -12.507  -0.870
  154   1HG   PRO  22          1HG       PRO  22  10.502 -13.657  -0.158
  155   2HG   PRO  22          2HG       PRO  22  11.546 -12.940   1.099
  156   1HD   PRO  22          1HD       PRO  22   9.122 -11.668  -0.222
  157   2HD   PRO  22          2HD       PRO  22   9.553 -11.822   1.510
  158    H    SER  23           H        SER  23  13.825  -9.101  -1.173
  159    HA   SER  23           HA       SER  23  12.646  -7.161  -2.764
  160   1HB   SER  23          1HB       SER  23  15.308  -8.597  -3.071
  161   2HB   SER  23          2HB       SER  23  14.867  -7.191  -4.036
  162    HG   SER  23           HG       SER  23  15.197  -5.931  -2.418
  163    H    GLY  24           H        GLY  24  11.559  -7.157  -4.672
  164   1HA   GLY  24          1HA       GLY  24  11.264  -7.768  -6.936
  165   2HA   GLY  24          2HA       GLY  24  12.023  -9.335  -6.668
  166    H    GLU  25           H        GLU  25  10.211  -9.713  -4.078
  167    HA   GLU  25           HA       GLU  25   8.049 -10.961  -5.562
  168   1HB   GLU  25          1HB       GLU  25   8.666 -10.706  -2.604
  169   2HB   GLU  25          2HB       GLU  25   7.238 -11.497  -3.270
  170   1HG   GLU  25          1HG       GLU  25   8.721 -12.987  -4.657
  171   2HG   GLU  25          2HG       GLU  25  10.134 -12.247  -3.891
  172    H    LYS  26           H        LYS  26   6.756  -9.570  -6.553
  173    HA   LYS  26           HA       LYS  26   6.063  -7.012  -5.866
  174   1HB   LYS  26          1HB       LYS  26   4.303  -7.222  -7.505
  175   2HB   LYS  26          2HB       LYS  26   5.749  -8.082  -8.043
  176   1HG   LYS  26          1HG       LYS  26   4.673 -10.238  -7.191
  177   2HG   LYS  26          2HG       LYS  26   3.195  -9.299  -6.925
  178   1HD   LYS  26          1HD       LYS  26   3.202  -8.646  -9.344
  179   2HD   LYS  26          2HD       LYS  26   4.675  -9.595  -9.584
  180   1HE   LYS  26          1HE       LYS  26   2.754 -10.878 -10.341
  181   2HE   LYS  26          2HE       LYS  26   3.456 -11.665  -8.918
  182   1HZ   LYS  26          1HZ       LYS  26   1.731 -10.677  -7.598
  183   2HZ   LYS  26          2HZ       LYS  26   1.107  -9.892  -8.905
  184   3HZ   LYS  26          3HZ       LYS  26   1.065 -11.536  -8.833
  185    H    ILE  27           H        ILE  27   4.509  -5.942  -4.770
  186    HA   ILE  27           HA       ILE  27   2.959  -7.460  -2.780
  187    HB   ILE  27           HB       ILE  27   3.216  -4.458  -3.068
  188   1HG1  ILE  27          1HG1      ILE  27   4.848  -6.333  -1.284
  189   2HG1  ILE  27          2HG1      ILE  27   5.470  -5.473  -2.699
  190   1HG2  ILE  27          1HG2      ILE  27   2.357  -6.263  -0.764
  191   2HG2  ILE  27          2HG2      ILE  27   2.405  -4.492  -0.715
  192   3HG2  ILE  27          3HG2      ILE  27   1.260  -5.298  -1.773
  193   1HD1  ILE  27          1HD1      ILE  27   4.882  -3.293  -1.615
  194   2HD1  ILE  27          2HD1      ILE  27   4.490  -4.186  -0.129
  195   3HD1  ILE  27          3HD1      ILE  27   6.131  -4.233  -0.775
  196    H    VAL  28           H        VAL  28   0.728  -7.625  -3.025
  197    HA   VAL  28           HA       VAL  28  -0.567  -6.280  -5.386
  198    HB   VAL  28           HB       VAL  28  -1.083  -9.069  -4.280
  199   1HG1  VAL  28          1HG1      VAL  28  -2.532  -9.338  -6.234
  200   2HG1  VAL  28          2HG1      VAL  28  -3.121  -8.007  -5.229
  201   3HG1  VAL  28          3HG1      VAL  28  -2.216  -7.664  -6.719
  202   1HG2  VAL  28          1HG2      VAL  28   1.055  -9.022  -5.476
  203   2HG2  VAL  28          2HG2      VAL  28  -0.178  -9.843  -6.441
  204   3HG2  VAL  28          3HG2      VAL  28   0.291  -8.178  -6.842
  205    H    PHE  29           H        PHE  29  -1.415  -4.535  -4.261
  206    HA   PHE  29           HA       PHE  29  -2.851  -4.939  -1.731
  207   1HB   PHE  29          1HB       PHE  29  -2.443  -2.525  -3.482
  208   2HB   PHE  29          2HB       PHE  29  -3.303  -2.529  -1.959
  209    HD1  PHE  29           HD2      PHE  29  -2.124  -2.964   0.178
  210    HD2  PHE  29           HD1      PHE  29  -0.045  -2.443  -3.550
  211    HE1  PHE  29           HE2      PHE  29  -0.047  -2.326   1.425
  212    HE2  PHE  29           HE1      PHE  29   2.038  -1.877  -2.294
  213    HZ   PHE  29           HZ       PHE  29   2.022  -1.784   0.175
  214    H    LYS  30           H        LYS  30  -4.690  -6.134  -2.055
  215    HA   LYS  30           HA       LYS  30  -6.489  -5.664  -4.342
  216   1HB   LYS  30          1HB       LYS  30  -5.898  -7.901  -3.688
  217   2HB   LYS  30          2HB       LYS  30  -6.458  -7.625  -2.039
  218   1HG   LYS  30          1HG       LYS  30  -8.776  -7.386  -2.793
  219   2HG   LYS  30          2HG       LYS  30  -8.278  -7.516  -4.480
  220   1HD   LYS  30          1HD       LYS  30  -7.888  -9.691  -2.367
  221   2HD   LYS  30          2HD       LYS  30  -9.275  -9.607  -3.456
  222   1HE   LYS  30          1HE       LYS  30  -6.371  -9.974  -4.337
  223   2HE   LYS  30          2HE       LYS  30  -7.613 -11.222  -4.258
  224   1HZ   LYS  30          1HZ       LYS  30  -7.362 -10.362  -6.458
  225   2HZ   LYS  30          2HZ       LYS  30  -8.872 -10.037  -5.886
  226   3HZ   LYS  30          3HZ       LYS  30  -7.749  -8.838  -5.970
  227    H    ASN  31           H        ASN  31  -8.268  -4.411  -4.291
  228    HA   ASN  31           HA       ASN  31  -9.074  -2.945  -1.959
  229   1HB   ASN  31          1HB       ASN  31  -9.476  -2.697  -4.678
  230   2HB   ASN  31          2HB       ASN  31 -11.041  -3.303  -4.233
  231   1HD2  ASN  31          1HD2      ASN  31 -11.685   0.204  -4.077
  232   2HD2  ASN  31          2HD2      ASN  31 -11.855  -1.269  -5.017
  233    H    ASN  32           H        ASN  32  -9.609  -4.336  -0.238
  234    HA   ASN  32           HA       ASN  32 -11.345  -6.652  -0.721
  235   1HB   ASN  32          1HB       ASN  32  -9.433  -6.878   0.690
  236   2HB   ASN  32          2HB       ASN  32  -9.998  -5.628   1.786
  237   1HD2  ASN  32          1HD2      ASN  32 -11.561  -8.129   3.728
  238   2HD2  ASN  32          2HD2      ASN  32 -10.458  -6.753   3.666
  239    H    ALA  33           H        ALA  33 -11.512  -4.253   1.881
  240    HA   ALA  33           HA       ALA  33 -14.432  -3.850   1.414
  241   1HB   ALA  33          1HB       ALA  33 -13.221  -4.890   4.014
  242   2HB   ALA  33          2HB       ALA  33 -14.919  -4.428   3.777
  243   3HB   ALA  33          3HB       ALA  33 -14.250  -5.825   2.910
  244    H    GLY  34           H        GLY  34 -15.282  -2.066   2.840
  245   1HA   GLY  34          1HA       GLY  34 -15.132   0.069   3.665
  246   2HA   GLY  34          2HA       GLY  34 -13.552  -0.369   4.330
  247    H    PHE  35           H        PHE  35 -13.988  -0.711   0.889
  248    HA   PHE  35           HA       PHE  35 -12.008   1.309   0.220
  249   1HB   PHE  35          1HB       PHE  35 -12.304   0.416  -2.033
  250   2HB   PHE  35          2HB       PHE  35 -12.034  -0.784  -0.827
  251    HD1  PHE  35           HD2      PHE  35 -14.794   0.863  -2.744
  252    HD2  PHE  35           HD1      PHE  35 -13.226  -2.740  -1.014
  253    HE1  PHE  35           HE2      PHE  35 -16.893  -0.345  -3.335
  254    HE2  PHE  35           HE1      PHE  35 -15.404  -3.884  -1.361
  255    HZ   PHE  35           HZ       PHE  35 -17.242  -2.687  -2.555
  256    HA   PRO  36           HA       PRO  36 -12.283   2.378  -2.368
  257   1HB   PRO  36          1HB       PRO  36 -11.714   4.928  -3.035
  258   2HB   PRO  36          2HB       PRO  36 -13.162   4.075  -3.609
  259   1HG   PRO  36          1HG       PRO  36 -12.989   5.916  -1.202
  260   2HG   PRO  36          2HG       PRO  36 -14.152   6.003  -2.562
  261   1HD   PRO  36          1HD       PRO  36 -14.798   4.722  -0.252
  262   2HD   PRO  36          2HD       PRO  36 -15.284   4.030  -1.822
  263    H    HIS  37           H        HIS  37 -10.055   2.753  -2.612
  264    HA   HIS  37           HA       HIS  37  -8.593   3.932  -0.387
  265   1HB   HIS  37          1HB       HIS  37  -8.271   1.016  -1.230
  266   2HB   HIS  37          2HB       HIS  37  -7.311   1.810   0.010
  267    HD2  HIS  37           HD2      HIS  37  -9.750  -0.757  -0.193
  268    HE1  HIS  37           HE1      HIS  37 -10.515   0.946   3.591
  269    HE2  HIS  37           HE2      HIS  37 -10.792  -1.119   2.125
  270    H    ASN  38           H        ASN  38  -6.170   3.649  -0.795
  271    HA   ASN  38           HA       ASN  38  -5.267   3.014  -3.409
  272   1HB   ASN  38          1HB       ASN  38  -4.543   5.121  -4.165
  273   2HB   ASN  38          2HB       ASN  38  -6.226   5.326  -3.755
  274   1HD2  ASN  38          1HD2      ASN  38  -4.387   8.344  -2.586
  275   2HD2  ASN  38          2HD2      ASN  38  -4.697   7.531  -4.103
  276    H    VAL  39           H        VAL  39  -2.717   3.632  -3.269
  277    HA   VAL  39           HA       VAL  39  -1.844   3.224  -0.438
  278    HB   VAL  39           HB       VAL  39  -0.753   1.757  -2.868
  279   1HG1  VAL  39          1HG1      VAL  39   0.484   0.482  -1.180
  280   2HG1  VAL  39          2HG1      VAL  39   0.885   2.191  -1.029
  281   3HG1  VAL  39          3HG1      VAL  39  -0.237   1.440   0.128
  282   1HG2  VAL  39          1HG2      VAL  39  -2.730   0.919  -0.708
  283   2HG2  VAL  39          2HG2      VAL  39  -2.922   0.808  -2.470
  284   3HG2  VAL  39          3HG2      VAL  39  -1.774  -0.244  -1.636
  285    H    VAL  40           H        VAL  40  -0.786   5.015   0.060
  286    HA   VAL  40           HA       VAL  40   0.950   6.327  -1.976
  287    HB   VAL  40           HB       VAL  40  -0.265   7.510   0.543
  288   1HG1  VAL  40          1HG1      VAL  40   1.010   8.768  -1.937
  289   2HG1  VAL  40          2HG1      VAL  40   0.305   9.662  -0.578
  290   3HG1  VAL  40          3HG1      VAL  40   1.750   8.671  -0.325
  291   1HG2  VAL  40          1HG2      VAL  40  -1.879   8.653  -0.889
  292   2HG2  VAL  40          2HG2      VAL  40  -1.326   7.722  -2.303
  293   3HG2  VAL  40          3HG2      VAL  40  -2.134   6.916  -0.938
  294    H    PHE  41           H        PHE  41   3.109   6.333  -1.492
  295    HA   PHE  41           HA       PHE  41   3.976   5.108   1.082
  296   1HB   PHE  41          1HB       PHE  41   5.325   5.603  -1.574
  297   2HB   PHE  41          2HB       PHE  41   6.196   5.092  -0.143
  298    HD1  PHE  41           HD2      PHE  41   5.730   2.927   0.972
  299    HD2  PHE  41           HD1      PHE  41   3.902   3.981  -2.760
  300    HE1  PHE  41           HE2      PHE  41   5.382   0.508   0.465
  301    HE2  PHE  41           HE1      PHE  41   3.308   1.590  -3.147
  302    HZ   PHE  41           HZ       PHE  41   4.102  -0.152  -1.557
  303    H    ASP  42           H        ASP  42   4.940   6.323   2.649
  304    HA   ASP  42           HA       ASP  42   4.907   9.209   2.367
  305   1HB   ASP  42          1HB       ASP  42   4.430   8.071   4.497
  306   2HB   ASP  42          2HB       ASP  42   6.085   7.461   4.547
  307    H    GLU  43           H        GLU  43   6.344  10.172   1.072
  308    HA   GLU  43           HA       GLU  43   8.668   9.238   0.004
  309   1HB   GLU  43          1HB       GLU  43   9.206  11.594  -0.496
  310   2HB   GLU  43          2HB       GLU  43   7.533  11.152  -0.861
  311   1HG   GLU  43          1HG       GLU  43   6.784  12.245   1.274
  312   2HG   GLU  43          2HG       GLU  43   8.464  12.693   1.604
  313    H    ASP  44           H        ASP  44   8.438  10.640   3.257
  314    HA   ASP  44           HA       ASP  44  11.364  10.908   3.470
  315   1HB   ASP  44          1HB       ASP  44   9.165  11.251   5.547
  316   2HB   ASP  44          2HB       ASP  44  10.877  11.622   5.765
  317    H    GLU  45           H        GLU  45   9.026   8.390   3.949
  318    HA   GLU  45           HA       GLU  45  10.928   6.814   5.652
  319   1HB   GLU  45          1HB       GLU  45   7.922   6.710   5.474
  320   2HB   GLU  45          2HB       GLU  45   8.941   5.697   6.512
  321   1HG   GLU  45          1HG       GLU  45   9.622   7.681   7.808
  322   2HG   GLU  45          2HG       GLU  45   8.700   8.743   6.733
  323    H    ILE  46           H        ILE  46  11.633   6.648   3.145
  324    HA   ILE  46           HA       ILE  46  11.005   3.917   2.412
  325    HB   ILE  46           HB       ILE  46  10.761   4.559  -0.021
  326   1HG1  ILE  46          1HG1      ILE  46  10.101   7.324   1.046
  327   2HG1  ILE  46          2HG1      ILE  46  11.567   6.896   0.150
  328   1HG2  ILE  46          1HG2      ILE  46   8.838   3.833   1.418
  329   2HG2  ILE  46          2HG2      ILE  46   8.412   5.543   1.625
  330   3HG2  ILE  46          3HG2      ILE  46   8.418   4.797   0.018
  331   1HD1  ILE  46          1HD1      ILE  46   8.714   6.882  -0.885
  332   2HD1  ILE  46          2HD1      ILE  46  10.097   7.842  -1.444
  333   3HD1  ILE  46          3HD1      ILE  46  10.060   6.094  -1.740
  334    HA   PRO  47           HA       PRO  47  15.344   4.147   1.842
  335   1HB   PRO  47          1HB       PRO  47  15.762   2.523  -0.438
  336   2HB   PRO  47          2HB       PRO  47  15.680   2.009   1.266
  337   1HG   PRO  47          1HG       PRO  47  13.565   1.882  -0.842
  338   2HG   PRO  47          2HG       PRO  47  13.845   0.785   0.547
  339   1HD   PRO  47          1HD       PRO  47  11.846   2.666   0.473
  340   2HD   PRO  47          2HD       PRO  47  12.622   2.124   1.985
  341    H    ALA  48           H        ALA  48  16.302   5.936   1.224
  342    HA   ALA  48           HA       ALA  48  15.523   7.791  -0.630
  343   1HB   ALA  48          1HB       ALA  48  18.356   7.196   0.322
  344   2HB   ALA  48          2HB       ALA  48  17.809   8.711  -0.427
  345   3HB   ALA  48          3HB       ALA  48  17.156   8.216   1.148
  346    H    GLY  49           H        GLY  49  15.344   7.722  -2.770
  347   1HA   GLY  49          1HA       GLY  49  16.740   7.599  -4.870
  348   2HA   GLY  49          2HA       GLY  49  17.092   5.922  -4.416
  349    H    VAL  50           H        VAL  50  14.430   5.376  -3.243
  350    HA   VAL  50           HA       VAL  50  13.115   4.699  -5.758
  351    HB   VAL  50           HB       VAL  50  12.157   4.276  -2.901
  352   1HG1  VAL  50          1HG1      VAL  50  10.802   2.491  -3.981
  353   2HG1  VAL  50          2HG1      VAL  50  10.371   4.089  -4.614
  354   3HG1  VAL  50          3HG1      VAL  50  11.389   2.996  -5.574
  355   1HG2  VAL  50          1HG2      VAL  50  13.023   1.967  -3.237
  356   2HG2  VAL  50          2HG2      VAL  50  13.770   2.469  -4.766
  357   3HG2  VAL  50          3HG2      VAL  50  14.330   3.153  -3.225
  358    H    ASP  51           H        ASP  51  12.065   6.289  -6.839
  359    HA   ASP  51           HA       ASP  51  11.074   8.678  -5.659
  360   1HB   ASP  51          1HB       ASP  51  11.694   8.575  -8.000
  361   2HB   ASP  51          2HB       ASP  51  10.450   7.353  -8.315
  362    H    ALA  52           H        ALA  52   9.465   8.750  -4.249
  363    HA   ALA  52           HA       ALA  52   7.539   6.924  -3.560
  364   1HB   ALA  52          1HB       ALA  52   8.054   8.950  -2.282
  365   2HB   ALA  52          2HB       ALA  52   7.211   9.938  -3.494
  366   3HB   ALA  52          3HB       ALA  52   6.313   8.735  -2.538
  367    H    VAL  53           H        VAL  53   7.343   9.399  -6.135
  368    HA   VAL  53           HA       VAL  53   4.581   9.104  -6.721
  369    HB   VAL  53           HB       VAL  53   6.854   9.988  -8.547
  370   1HG1  VAL  53          1HG1      VAL  53   5.062  11.266  -9.722
  371   2HG1  VAL  53          2HG1      VAL  53   4.856   9.522  -9.877
  372   3HG1  VAL  53          3HG1      VAL  53   3.846  10.433  -8.733
  373   1HG2  VAL  53          1HG2      VAL  53   6.759  11.369  -6.488
  374   2HG2  VAL  53          2HG2      VAL  53   6.156  12.281  -7.872
  375   3HG2  VAL  53          3HG2      VAL  53   5.010  11.585  -6.710
  376    H    LYS  54           H        LYS  54   7.376   7.113  -7.695
  377    HA   LYS  54           HA       LYS  54   5.862   5.808  -9.854
  378   1HB   LYS  54          1HB       LYS  54   8.527   5.140  -8.542
  379   2HB   LYS  54          2HB       LYS  54   7.811   4.265  -9.904
  380   1HG   LYS  54          1HG       LYS  54   7.782   6.328 -11.259
  381   2HG   LYS  54          2HG       LYS  54   8.519   7.228  -9.924
  382   1HD   LYS  54          1HD       LYS  54  10.471   5.611  -9.996
  383   2HD   LYS  54          2HD       LYS  54   9.751   4.866 -11.429
  384   1HE   LYS  54          1HE       LYS  54  10.623   7.790 -11.176
  385   2HE   LYS  54          2HE       LYS  54  11.513   6.509 -12.014
  386   1HZ   LYS  54          1HZ       LYS  54   9.643   6.265 -13.493
  387   2HZ   LYS  54          2HZ       LYS  54   8.842   7.491 -12.736
  388   3HZ   LYS  54          3HZ       LYS  54  10.248   7.797 -13.537
  389    H    ILE  55           H        ILE  55   6.769   5.098  -6.496
  390    HA   ILE  55           HA       ILE  55   5.582   2.427  -6.542
  391    HB   ILE  55           HB       ILE  55   6.031   2.350  -4.209
  392   1HG1  ILE  55          1HG1      ILE  55   7.475   5.008  -4.638
  393   2HG1  ILE  55          2HG1      ILE  55   5.939   4.838  -3.754
  394   1HG2  ILE  55          1HG2      ILE  55   8.379   3.159  -5.969
  395   2HG2  ILE  55          2HG2      ILE  55   8.426   2.123  -4.529
  396   3HG2  ILE  55          3HG2      ILE  55   7.589   1.563  -5.975
  397   1HD1  ILE  55          1HD1      ILE  55   7.611   4.759  -2.100
  398   2HD1  ILE  55          2HD1      ILE  55   7.126   3.056  -2.382
  399   3HD1  ILE  55          3HD1      ILE  55   8.643   3.686  -3.056
  400    H    SER  56           H        SER  56   4.475   5.656  -5.543
  401    HA   SER  56           HA       SER  56   2.167   4.639  -4.112
  402   1HB   SER  56          1HB       SER  56   2.831   7.419  -5.105
  403   2HB   SER  56          2HB       SER  56   1.535   7.013  -3.982
  404    HG   SER  56           HG       SER  56   4.337   6.806  -3.654
  405    H    MET  57           H        MET  57   0.090   4.470  -4.731
  406    HA   MET  57           HA       MET  57  -0.617   4.258  -7.486
  407   1HB   MET  57          1HB       MET  57  -1.607   3.042  -5.526
  408   2HB   MET  57          2HB       MET  57  -2.400   4.541  -5.032
  409   1HG   MET  57          1HG       MET  57  -2.820   3.240  -7.754
  410   2HG   MET  57          2HG       MET  57  -3.768   2.829  -6.322
  411   1HE   MET  57          1HE       MET  57  -6.406   4.670  -8.394
  412   2HE   MET  57          2HE       MET  57  -5.960   3.196  -7.517
  413   3HE   MET  57          3HE       MET  57  -5.108   3.629  -9.022
  414    HA   PRO  58           HA       PRO  58  -0.761   8.714  -8.195
  415   1HB   PRO  58          1HB       PRO  58  -2.978   7.864 -10.088
  416   2HB   PRO  58          2HB       PRO  58  -1.719   9.107 -10.343
  417   1HG   PRO  58          1HG       PRO  58  -1.374   6.631 -11.366
  418   2HG   PRO  58          2HG       PRO  58  -0.014   7.409 -10.500
  419   1HD   PRO  58          1HD       PRO  58  -1.914   5.296  -9.470
  420   2HD   PRO  58          2HD       PRO  58  -0.141   5.454  -9.258
  421    H    GLU  59           H        GLU  59  -1.595   9.890  -6.543
  422    HA   GLU  59           HA       GLU  59  -3.832   9.533  -5.032
  423   1HB   GLU  59          1HB       GLU  59  -2.421  12.105  -5.859
  424   2HB   GLU  59          2HB       GLU  59  -3.606  12.044  -4.554
  425   1HG   GLU  59          1HG       GLU  59  -1.176  10.202  -4.471
  426   2HG   GLU  59          2HG       GLU  59  -1.065  11.895  -3.981
  427    H    GLU  60           H        GLU  60  -3.766  11.143  -8.149
  428    HA   GLU  60           HA       GLU  60  -6.254  12.461  -8.062
  429   1HB   GLU  60          1HB       GLU  60  -4.426  12.709  -9.779
  430   2HB   GLU  60          2HB       GLU  60  -4.896  11.137 -10.456
  431   1HG   GLU  60          1HG       GLU  60  -7.153  12.062 -10.966
  432   2HG   GLU  60          2HG       GLU  60  -6.673  13.613 -10.257
  433    H    GLU  61           H        GLU  61  -5.442   9.066  -8.607
  434    HA   GLU  61           HA       GLU  61  -8.249   8.325  -9.185
  435   1HB   GLU  61          1HB       GLU  61  -5.590   6.859  -9.481
  436   2HB   GLU  61          2HB       GLU  61  -7.179   6.256  -9.967
  437   1HG   GLU  61          1HG       GLU  61  -7.401   8.111 -11.602
  438   2HG   GLU  61          2HG       GLU  61  -5.803   8.715 -11.141
  439    H    LEU  62           H        LEU  62  -9.039   6.385  -8.116
  440    HA   LEU  62           HA       LEU  62  -7.762   5.513  -5.592
  441   1HB   LEU  62          1HB       LEU  62 -10.611   6.557  -5.856
  442   2HB   LEU  62          2HB       LEU  62  -9.959   5.702  -4.456
  443    HG   LEU  62           HG       LEU  62  -8.999   8.435  -5.421
  444   1HD1  LEU  62          1HD1      LEU  62 -11.314   8.435  -4.572
  445   2HD1  LEU  62          2HD1      LEU  62 -10.776   7.602  -3.097
  446   3HD1  LEU  62          3HD1      LEU  62 -10.220   9.257  -3.443
  447   1HD2  LEU  62          1HD2      LEU  62  -7.936   8.518  -3.145
  448   2HD2  LEU  62          2HD2      LEU  62  -8.346   6.804  -2.912
  449   3HD2  LEU  62          3HD2      LEU  62  -7.214   7.300  -4.189
  450    H    LEU  63           H        LEU  63  -8.540   3.383  -5.057
  451    HA   LEU  63           HA       LEU  63  -9.559   1.807  -7.305
  452   1HB   LEU  63          1HB       LEU  63  -9.011   1.041  -4.421
  453   2HB   LEU  63          2HB       LEU  63  -9.303  -0.064  -5.774
  454    HG   LEU  63           HG       LEU  63  -6.920   1.834  -5.568
  455   1HD1  LEU  63          1HD1      LEU  63  -7.147  -1.159  -5.067
  456   2HD1  LEU  63          2HD1      LEU  63  -5.654  -0.193  -5.007
  457   3HD1  LEU  63          3HD1      LEU  63  -6.943   0.104  -3.831
  458   1HD2  LEU  63          1HD2      LEU  63  -5.992   0.429  -7.397
  459   2HD2  LEU  63          2HD2      LEU  63  -7.517  -0.473  -7.483
  460   3HD2  LEU  63          3HD2      LEU  63  -7.467   1.248  -7.925
  461    H    ASN  64           H        ASN  64 -11.678   2.292  -7.746
  462    HA   ASN  64           HA       ASN  64 -13.601   2.867  -5.625
  463   1HB   ASN  64          1HB       ASN  64 -15.149   3.299  -7.435
  464   2HB   ASN  64          2HB       ASN  64 -13.637   4.195  -7.644
  465   1HD2  ASN  64          1HD2      ASN  64 -14.735   2.621 -10.923
  466   2HD2  ASN  64          2HD2      ASN  64 -15.582   3.619  -9.755
  467    H    ALA  65           H        ALA  65 -13.362   0.373  -8.217
  468    HA   ALA  65           HA       ALA  65 -15.618  -1.088  -7.136
  469   1HB   ALA  65          1HB       ALA  65 -15.186  -1.031  -9.534
  470   2HB   ALA  65          2HB       ALA  65 -13.584  -1.758  -9.304
  471   3HB   ALA  65          3HB       ALA  65 -15.041  -2.707  -8.968
  472    HA   PRO  66           HA       PRO  66 -13.361  -3.738  -4.319
  473   1HB   PRO  66          1HB       PRO  66 -14.820  -6.068  -4.402
  474   2HB   PRO  66          2HB       PRO  66 -15.423  -4.586  -3.627
  475   1HG   PRO  66          1HG       PRO  66 -16.018  -5.556  -6.427
  476   2HG   PRO  66          2HG       PRO  66 -17.184  -5.011  -5.184
  477   1HD   PRO  66          1HD       PRO  66 -16.334  -3.341  -7.127
  478   2HD   PRO  66          2HD       PRO  66 -16.522  -2.733  -5.456
  479    H    GLY  67           H        GLY  67 -12.050  -5.761  -4.330
  480   1HA   GLY  67          1HA       GLY  67 -10.900  -7.502  -5.302
  481   2HA   GLY  67          2HA       GLY  67 -11.826  -7.315  -6.790
  482    H    GLU  68           H        GLU  68 -11.138  -4.535  -7.290
  483    HA   GLU  68           HA       GLU  68  -9.003  -4.664  -8.953
  484   1HB   GLU  68          1HB       GLU  68  -9.740  -2.288  -7.190
  485   2HB   GLU  68          2HB       GLU  68  -8.734  -2.202  -8.642
  486   1HG   GLU  68          1HG       GLU  68 -11.664  -3.069  -8.563
  487   2HG   GLU  68          2HG       GLU  68 -11.050  -1.505  -9.098
  488    H    THR  69           H        THR  69  -6.865  -5.033  -8.848
  489    HA   THR  69           HA       THR  69  -5.490  -5.002  -6.225
  490    HB   THR  69           HB       THR  69  -3.857  -6.381  -7.588
  491    HG1  THR  69           HG1      THR  69  -4.715  -5.633  -9.607
  492   1HG2  THR  69          1HG2      THR  69  -5.551  -7.309  -6.021
  493   2HG2  THR  69          2HG2      THR  69  -6.686  -7.473  -7.383
  494   3HG2  THR  69          3HG2      THR  69  -5.178  -8.411  -7.370
  495    OH   TYR  70           OH       TYR  70   1.601   2.235  -7.436
  496    H    TYR  70           H        TYR  70  -4.166  -3.348  -5.844
  497    HA   TYR  70           HA       TYR  70  -2.852  -1.902  -8.109
  498   1HB   TYR  70          1HB       TYR  70  -3.846  -0.471  -6.406
  499   2HB   TYR  70          2HB       TYR  70  -2.932  -1.254  -5.138
  500    HD1  TYR  70           HD1      TYR  70  -2.456   0.486  -8.438
  501    HD2  TYR  70           HD2      TYR  70  -0.809  -0.317  -4.533
  502    HE1  TYR  70           HE1      TYR  70  -0.443   1.817  -9.005
  503    HE2  TYR  70           HE2      TYR  70   1.182   1.041  -5.097
  504    HH   TYR  70           HH       TYR  70   2.250   2.289  -6.727
  505    H    VAL  71           H        VAL  71  -1.036  -2.909  -8.788
  506    HA   VAL  71           HA       VAL  71   0.484  -4.581  -6.891
  507    HB   VAL  71           HB       VAL  71   0.671  -4.454  -9.917
  508   1HG1  VAL  71          1HG1      VAL  71   1.747  -6.692  -9.597
  509   2HG1  VAL  71          2HG1      VAL  71   2.689  -5.390  -8.863
  510   3HG1  VAL  71          3HG1      VAL  71   1.691  -6.445  -7.838
  511   1HG2  VAL  71          1HG2      VAL  71  -0.617  -6.598  -9.847
  512   2HG2  VAL  71          2HG2      VAL  71  -0.897  -6.345  -8.113
  513   3HG2  VAL  71          3HG2      VAL  71  -1.585  -5.224  -9.306
  514    H    VAL  72           H        VAL  72   2.634  -4.179  -6.390
  515    HA   VAL  72           HA       VAL  72   4.154  -2.186  -7.923
  516    HB   VAL  72           HB       VAL  72   3.009  -0.819  -6.244
  517   1HG1  VAL  72          1HG1      VAL  72   4.420  -2.494  -4.124
  518   2HG1  VAL  72          2HG1      VAL  72   3.453  -1.033  -3.867
  519   3HG1  VAL  72          3HG1      VAL  72   2.675  -2.508  -4.472
  520   1HG2  VAL  72          1HG2      VAL  72   4.961   0.292  -5.301
  521   2HG2  VAL  72          2HG2      VAL  72   5.976  -1.121  -5.636
  522   3HG2  VAL  72          3HG2      VAL  72   5.273  -0.189  -6.977
  523    H    THR  73           H        THR  73   6.375  -2.705  -7.900
  524    HA   THR  73           HA       THR  73   7.119  -5.141  -6.328
  525    HB   THR  73           HB       THR  73   7.930  -4.577  -9.201
  526    HG1  THR  73           HG1      THR  73   5.679  -4.950  -9.017
  527   1HG2  THR  73          1HG2      THR  73   8.048  -7.038  -7.404
  528   2HG2  THR  73          2HG2      THR  73   8.516  -7.001  -9.116
  529   3HG2  THR  73          3HG2      THR  73   9.441  -6.070  -7.920
  530    H    LEU  74           H        LEU  74   8.402  -4.173  -4.733
  531    HA   LEU  74           HA       LEU  74  10.456  -2.279  -5.507
  532   1HB   LEU  74          1HB       LEU  74   9.858  -3.704  -2.891
  533   2HB   LEU  74          2HB       LEU  74  10.894  -2.302  -3.147
  534    HG   LEU  74           HG       LEU  74   8.961  -1.506  -2.245
  535   1HD1  LEU  74          1HD1      LEU  74   8.455  -1.015  -5.204
  536   2HD1  LEU  74          2HD1      LEU  74   7.944  -0.003  -3.843
  537   3HD1  LEU  74          3HD1      LEU  74   9.675  -0.166  -4.230
  538   1HD2  LEU  74          1HD2      LEU  74   7.031  -2.816  -4.102
  539   2HD2  LEU  74          2HD2      LEU  74   7.556  -3.462  -2.521
  540   3HD2  LEU  74          3HD2      LEU  74   6.761  -1.878  -2.625
  541    H    ASP  75           H        ASP  75  12.471  -2.780  -5.961
  542    HA   ASP  75           HA       ASP  75  13.580  -5.511  -5.466
  543   1HB   ASP  75          1HB       ASP  75  13.774  -4.729  -7.771
  544   2HB   ASP  75          2HB       ASP  75  14.493  -3.198  -7.237
  545    H    THR  76           H        THR  76  14.158  -1.999  -5.054
  546    HA   THR  76           HA       THR  76  16.563  -2.152  -3.624
  547    HB   THR  76           HB       THR  76  14.422   0.009  -3.475
  548    HG1  THR  76           HG1      THR  76  16.306  -0.484  -5.535
  549   1HG2  THR  76          1HG2      THR  76  16.360   1.534  -3.412
  550   2HG2  THR  76          2HG2      THR  76  16.403   0.399  -2.053
  551   3HG2  THR  76          3HG2      THR  76  17.474   0.152  -3.451
  552    H    LYS  77           H        LYS  77  16.830  -3.019  -1.691
  553    HA   LYS  77           HA       LYS  77  14.790  -3.682   0.145
  554   1HB   LYS  77          1HB       LYS  77  16.646  -4.279   1.643
  555   2HB   LYS  77          2HB       LYS  77  16.936  -4.872  -0.001
  556   1HG   LYS  77          1HG       LYS  77  18.454  -2.885  -0.386
  557   2HG   LYS  77          2HG       LYS  77  18.192  -2.401   1.296
  558   1HD   LYS  77          1HD       LYS  77  19.077  -4.642   2.028
  559   2HD   LYS  77          2HD       LYS  77  19.451  -5.012   0.337
  560   1HE   LYS  77          1HE       LYS  77  20.607  -2.716   1.995
  561   2HE   LYS  77          2HE       LYS  77  21.446  -4.201   1.522
  562   1HZ   LYS  77          1HZ       LYS  77  20.460  -2.123  -0.302
  563   2HZ   LYS  77          2HZ       LYS  77  22.028  -2.423   0.092
  564   3HZ   LYS  77          3HZ       LYS  77  21.174  -3.534  -0.772
  565    H    GLY  78           H        GLY  78  14.395  -2.858   2.289
  566   1HA   GLY  78          1HA       GLY  78  15.355  -0.940   3.791
  567   2HA   GLY  78          2HA       GLY  78  14.681   0.094   2.522
  568    H    THR  79           H        THR  79  13.532   0.727   4.620
  569    HA   THR  79           HA       THR  79  11.106  -0.916   5.150
  570    HB   THR  79           HB       THR  79  12.315   1.337   6.796
  571    HG1  THR  79           HG1      THR  79  12.465  -1.484   7.127
  572   1HG2  THR  79          1HG2      THR  79   9.895   0.984   7.198
  573   2HG2  THR  79          2HG2      THR  79  10.175  -0.757   7.425
  574   3HG2  THR  79          3HG2      THR  79  10.853   0.413   8.574
  575    OH   TYR  80           OH       TYR  80  11.783  -0.163  -2.235
  576    H    TYR  80           H        TYR  80   9.321  -0.215   4.204
  577    HA   TYR  80           HA       TYR  80   9.134   2.596   3.210
  578   1HB   TYR  80          1HB       TYR  80   7.908  -0.007   2.266
  579   2HB   TYR  80          2HB       TYR  80   7.453   1.572   1.663
  580    HD1  TYR  80           HD2      TYR  80  10.577  -0.530   2.106
  581    HD2  TYR  80           HD1      TYR  80   8.223   2.012  -0.457
  582    HE1  TYR  80           HE2      TYR  80  12.145  -0.939   0.261
  583    HE2  TYR  80           HE1      TYR  80   9.637   1.364  -2.359
  584    HH   TYR  80           HH       TYR  80  12.408  -0.860  -2.000
  585    H    SER  81           H        SER  81   7.657   3.809   4.347
  586    HA   SER  81           HA       SER  81   5.442   2.410   5.794
  587   1HB   SER  81          1HB       SER  81   6.279   5.313   5.895
  588   2HB   SER  81          2HB       SER  81   5.073   4.524   6.915
  589    HG   SER  81           HG       SER  81   7.221   4.730   7.866
  590    H    PHE  82           H        PHE  82   3.333   2.532   5.027
  591    HA   PHE  82           HA       PHE  82   2.767   4.506   2.899
  592   1HB   PHE  82          1HB       PHE  82   1.553   2.782   1.613
  593   2HB   PHE  82          2HB       PHE  82   3.248   2.514   1.698
  594    HD1  PHE  82           HD2      PHE  82  -0.002   1.493   3.264
  595    HD2  PHE  82           HD1      PHE  82   4.099   0.319   2.508
  596    HE1  PHE  82           HE2      PHE  82  -0.403  -0.691   4.319
  597    HE2  PHE  82           HE1      PHE  82   3.615  -1.885   3.466
  598    HZ   PHE  82           HZ       PHE  82   1.396  -2.391   4.433
  599    OH   TYR  83           OH       TYR  83   1.053  10.669   1.863
  600    H    TYR  83           H        TYR  83   0.489   4.678   2.392
  601    HA   TYR  83           HA       TYR  83  -1.394   4.033   4.526
  602   1HB   TYR  83          1HB       TYR  83  -1.906   6.388   5.064
  603   2HB   TYR  83          2HB       TYR  83  -0.258   5.958   5.510
  604    HD1  TYR  83           HD1      TYR  83   1.690   6.850   4.248
  605    HD2  TYR  83           HD2      TYR  83  -2.349   8.027   3.308
  606    HE1  TYR  83           HE1      TYR  83   2.546   8.815   3.023
  607    HE2  TYR  83           HE2      TYR  83  -1.482  10.034   2.128
  608    HH   TYR  83           HH       TYR  83   2.010  10.724   1.847
  609    H    CYS  84           H        CYS  84  -3.554   4.788   4.154
  610    HA   CYS  84           HA       CYS  84  -4.234   5.020   1.232
  611   1HB   CYS  84          1HB       CYS  84  -5.305   3.090   2.312
  612   2HB   CYS  84          2HB       CYS  84  -5.754   4.110   3.691
  613    H    SER  85           H        SER  85  -4.122   7.118   0.818
  614    HA   SER  85           HA       SER  85  -4.271   9.202   2.470
  615   1HB   SER  85          1HB       SER  85  -5.078  10.629   0.512
  616   2HB   SER  85          2HB       SER  85  -3.583   9.708   0.358
  617    HG   SER  85           HG       SER  85  -4.921   8.037  -0.679
  618    HA   PRO  86           HA       PRO  86  -8.918  10.218   2.345
  619   1HB   PRO  86          1HB       PRO  86 -10.771   8.289   1.646
  620   2HB   PRO  86          2HB       PRO  86 -10.051   9.471   0.521
  621   1HG   PRO  86          1HG       PRO  86  -9.136   6.633   1.034
  622   2HG   PRO  86          2HG       PRO  86  -9.463   7.407  -0.547
  623   1HD   PRO  86          1HD       PRO  86  -6.942   7.284   0.341
  624   2HD   PRO  86          2HD       PRO  86  -7.563   8.816  -0.347
  625    H    HIS  87           H        HIS  87  -7.442   7.422   3.728
  626    HA   HIS  87           HA       HIS  87  -9.249   7.695   6.091
  627   1HB   HIS  87          1HB       HIS  87  -8.182   5.114   4.949
  628   2HB   HIS  87          2HB       HIS  87  -9.129   5.276   6.427
  629    HD2  HIS  87           HD2      HIS  87 -11.648   6.783   5.770
  630    HE1  HIS  87           HE1      HIS  87 -12.195   4.256   2.394
  631    HE2  HIS  87           HE2      HIS  87 -13.339   5.866   3.995
  632    H    GLN  88           H        GLN  88  -6.361   8.601   5.112
  633    HA   GLN  88           HA       GLN  88  -4.527   7.269   6.819
  634   1HB   GLN  88          1HB       GLN  88  -3.933   8.812   4.967
  635   2HB   GLN  88          2HB       GLN  88  -4.513  10.188   5.922
  636   1HG   GLN  88          1HG       GLN  88  -2.798   9.705   7.656
  637   2HG   GLN  88          2HG       GLN  88  -2.285   8.269   6.752
  638   1HE2  GLN  88          1HE2      GLN  88   0.242  10.532   5.600
  639   2HE2  GLN  88          2HE2      GLN  88  -0.101   9.306   6.806
  640    H    GLY  89           H        GLY  89  -6.595  10.131   7.320
  641   1HA   GLY  89          1HA       GLY  89  -5.901  10.787   9.974
  642   2HA   GLY  89          2HA       GLY  89  -7.472  11.092   9.212
  643    H    ALA  90           H        ALA  90  -7.980   8.185   8.711
  644    HA   ALA  90           HA       ALA  90  -9.051   7.509  11.366
  645   1HB   ALA  90          1HB       ALA  90  -9.384   6.121   8.682
  646   2HB   ALA  90          2HB       ALA  90 -10.306   5.812  10.164
  647   3HB   ALA  90          3HB       ALA  90 -10.466   7.372   9.336
  648    H    GLY  91           H        GLY  91  -6.019   7.161  10.176
  649   1HA   GLY  91          1HA       GLY  91  -4.324   5.897  10.998
  650   2HA   GLY  91          2HA       GLY  91  -5.461   4.863  11.867
  651    H    MET  92           H        MET  92  -6.113   5.272   8.401
  652    HA   MET  92           HA       MET  92  -5.448   2.448   8.063
  653   1HB   MET  92          1HB       MET  92  -7.449   3.478   7.005
  654   2HB   MET  92          2HB       MET  92  -6.365   4.372   5.917
  655   1HG   MET  92          1HG       MET  92  -5.492   2.303   4.991
  656   2HG   MET  92          2HG       MET  92  -6.192   1.359   6.288
  657   1HE   MET  92          1HE       MET  92  -7.846  -0.318   3.382
  658   2HE   MET  92          2HE       MET  92  -6.209   0.368   3.412
  659   3HE   MET  92          3HE       MET  92  -6.856  -0.461   4.844
  660    H    VAL  93           H        VAL  93  -3.260   2.683   8.667
  661    HA   VAL  93           HA       VAL  93  -1.439   3.425   6.439
  662    HB   VAL  93           HB       VAL  93   0.187   4.224   7.966
  663   1HG1  VAL  93          1HG1      VAL  93  -1.702   5.791   7.317
  664   2HG1  VAL  93          2HG1      VAL  93  -2.442   5.461   8.890
  665   3HG1  VAL  93          3HG1      VAL  93  -0.843   6.220   8.807
  666   1HG2  VAL  93          1HG2      VAL  93  -0.231   4.381  10.401
  667   2HG2  VAL  93          2HG2      VAL  93  -1.735   3.457  10.198
  668   3HG2  VAL  93          3HG2      VAL  93  -0.164   2.700   9.851
  669    H    GLY  94           H        GLY  94   0.751   2.283   6.689
  670   1HA   GLY  94          1HA       GLY  94   0.873  -0.147   8.192
  671   2HA   GLY  94          2HA       GLY  94   0.455  -0.487   6.505
  672    H    LYS  95           H        LYS  95   2.799  -1.529   7.126
  673    HA   LYS  95           HA       LYS  95   4.799   0.224   5.863
  674   1HB   LYS  95          1HB       LYS  95   5.293  -1.186   8.528
  675   2HB   LYS  95          2HB       LYS  95   6.485  -0.282   7.582
  676   1HG   LYS  95          1HG       LYS  95   5.111   1.795   7.923
  677   2HG   LYS  95          2HG       LYS  95   4.025   0.861   8.970
  678   1HD   LYS  95          1HD       LYS  95   5.867   0.382  10.519
  679   2HD   LYS  95          2HD       LYS  95   7.024   1.170   9.431
  680   1HE   LYS  95          1HE       LYS  95   6.423   2.657  11.290
  681   2HE   LYS  95          2HE       LYS  95   5.918   3.340   9.736
  682   1HZ   LYS  95          1HZ       LYS  95   4.164   1.901  11.608
  683   2HZ   LYS  95          2HZ       LYS  95   4.238   3.538  11.428
  684   3HZ   LYS  95          3HZ       LYS  95   3.702   2.600  10.187
  685    H    VAL  96           H        VAL  96   6.653  -0.981   5.056
  686    HA   VAL  96           HA       VAL  96   6.445  -3.902   5.168
  687    HB   VAL  96           HB       VAL  96   5.010  -3.528   3.374
  688   1HG1  VAL  96          1HG1      VAL  96   5.489  -2.289   1.360
  689   2HG1  VAL  96          2HG1      VAL  96   5.870  -1.187   2.693
  690   3HG1  VAL  96          3HG1      VAL  96   7.174  -2.036   1.834
  691   1HG2  VAL  96          1HG2      VAL  96   6.040  -4.747   1.622
  692   2HG2  VAL  96          2HG2      VAL  96   7.666  -4.315   2.188
  693   3HG2  VAL  96          3HG2      VAL  96   6.626  -5.376   3.179
  694    H    THR  97           H        THR  97   8.327  -4.823   5.275
  695    HA   THR  97           HA       THR  97  10.799  -3.194   4.879
  696    HB   THR  97           HB       THR  97  10.323  -5.789   6.373
  697    HG1  THR  97           HG1      THR  97   9.462  -3.951   7.339
  698   1HG2  THR  97          1HG2      THR  97  12.620  -5.769   5.535
  699   2HG2  THR  97          2HG2      THR  97  12.830  -4.080   6.068
  700   3HG2  THR  97          3HG2      THR  97  12.610  -5.381   7.260
  701    H    VAL  98           H        VAL  98  11.364  -3.290   2.738
  702    HA   VAL  98           HA       VAL  98  11.086  -5.802   1.236
  703    HB   VAL  98           HB       VAL  98  12.364  -3.162   0.462
  704   1HG1  VAL  98          1HG1      VAL  98  12.099  -3.979  -1.848
  705   2HG1  VAL  98          2HG1      VAL  98  13.108  -5.094  -0.931
  706   3HG1  VAL  98          3HG1      VAL  98  11.411  -5.503  -1.250
  707   1HG2  VAL  98          1HG2      VAL  98  10.251  -2.724  -0.737
  708   2HG2  VAL  98          2HG2      VAL  98   9.553  -4.224  -0.106
  709   3HG2  VAL  98          3HG2      VAL  98   9.936  -2.882   0.989
  710    H    ASN  99           H        ASN  99  12.782  -7.278   1.030
  711    HA   ASN  99           HA       ASN  99  15.547  -6.364   1.651
  712   1HB   ASN  99          1HB       ASN  99  15.845  -8.379   3.190
  713   2HB   ASN  99          2HB       ASN  99  15.031  -6.948   3.819
  714   1HD2  ASN  99          1HD2      ASN  99  12.590 -10.193   3.095
  715   2HD2  ASN  99          2HD2      ASN  99  13.887  -9.845   1.946
   
  Start of MODEL          11
 Raw file had 715 H/Q atoms
  Start of MODEL   11
    1    H    LEU   1           H        LEU   1   3.699  -9.952  -2.401
    2    HA   LEU   1           HA       LEU   1   2.542 -11.679  -0.973
    3   1HB   LEU   1          1HB       LEU   1   2.786  -9.382   1.015
    4   2HB   LEU   1          2HB       LEU   1   1.623 -10.686   1.230
    5    HG   LEU   1           HG       LEU   1   3.443 -12.363   1.258
    6   1HD1  LEU   1          1HD1      LEU   1   5.260 -11.262   0.086
    7   2HD1  LEU   1          2HD1      LEU   1   5.227  -9.893   1.224
    8   3HD1  LEU   1          3HD1      LEU   1   5.765 -11.500   1.761
    9   1HD2  LEU   1          1HD2      LEU   1   2.462 -11.445   3.324
   10   2HD2  LEU   1          2HD2      LEU   1   4.189 -11.771   3.546
   11   3HD2  LEU   1          3HD2      LEU   1   3.626 -10.103   3.298
   12    H    GLU   2           H        GLU   2   0.198 -11.687  -0.429
   13    HA   GLU   2           HA       GLU   2  -1.307  -9.768  -2.089
   14   1HB   GLU   2          1HB       GLU   2  -2.020 -12.382  -0.707
   15   2HB   GLU   2          2HB       GLU   2  -3.221 -11.315  -1.459
   16   1HG   GLU   2          1HG       GLU   2  -2.050 -11.387  -3.594
   17   2HG   GLU   2          2HG       GLU   2  -0.790 -12.438  -2.920
   18    H    VAL   3           H        VAL   3  -2.007  -7.972  -1.146
   19    HA   VAL   3           HA       VAL   3  -2.398  -7.916   1.820
   20    HB   VAL   3           HB       VAL   3  -1.741  -5.608  -0.016
   21   1HG1  VAL   3          1HG1      VAL   3  -1.846  -5.894   3.019
   22   2HG1  VAL   3          2HG1      VAL   3  -1.268  -4.463   2.152
   23   3HG1  VAL   3          3HG1      VAL   3  -2.968  -4.946   2.018
   24   1HG2  VAL   3          1HG2      VAL   3   0.088  -7.170   1.852
   25   2HG2  VAL   3          2HG2      VAL   3   0.197  -7.111   0.081
   26   3HG2  VAL   3          3HG2      VAL   3   0.495  -5.653   1.028
   27    H    LEU   4           H        LEU   4  -4.478  -8.075   2.369
   28    HA   LEU   4           HA       LEU   4  -6.592  -7.197   0.518
   29   1HB   LEU   4          1HB       LEU   4  -6.753  -8.226   3.369
   30   2HB   LEU   4          2HB       LEU   4  -8.114  -7.928   2.299
   31    HG   LEU   4           HG       LEU   4  -5.943 -10.043   1.987
   32   1HD1  LEU   4          1HD1      LEU   4  -8.970 -10.217   2.367
   33   2HD1  LEU   4          2HD1      LEU   4  -7.845 -11.590   2.266
   34   3HD1  LEU   4          3HD1      LEU   4  -7.757 -10.478   3.644
   35   1HD2  LEU   4          1HD2      LEU   4  -8.227  -9.347   0.090
   36   2HD2  LEU   4          2HD2      LEU   4  -6.483  -9.289  -0.279
   37   3HD2  LEU   4          3HD2      LEU   4  -7.270 -10.841   0.015
   38    H    LEU   5           H        LEU   5  -7.330  -5.198   0.422
   39    HA   LEU   5           HA       LEU   5  -6.555  -3.180   2.420
   40   1HB   LEU   5          1HB       LEU   5  -8.180  -2.912  -0.110
   41   2HB   LEU   5          2HB       LEU   5  -7.515  -1.606   0.873
   42    HG   LEU   5           HG       LEU   5  -5.807  -3.644  -0.623
   43   1HD1  LEU   5          1HD1      LEU   5  -7.104  -2.240  -2.182
   44   2HD1  LEU   5          2HD1      LEU   5  -6.537  -0.778  -1.345
   45   3HD1  LEU   5          3HD1      LEU   5  -5.392  -1.809  -2.218
   46   1HD2  LEU   5          1HD2      LEU   5  -5.205  -1.079   0.912
   47   2HD2  LEU   5          2HD2      LEU   5  -4.628  -2.730   1.254
   48   3HD2  LEU   5          3HD2      LEU   5  -4.058  -1.862  -0.184
   49    H    GLY   6           H        GLY   6  -7.770  -3.158   4.249
   50   1HA   GLY   6          1HA       GLY   6  -9.582  -2.671   5.493
   51   2HA   GLY   6          2HA       GLY   6 -10.676  -2.845   4.134
   52    H    SER   7           H        SER   7 -10.195  -4.215   7.089
   53    HA   SER   7           HA       SER   7 -10.011  -7.001   6.378
   54   1HB   SER   7          1HB       SER   7 -10.561  -7.154   8.900
   55   2HB   SER   7          2HB       SER   7  -9.070  -6.322   8.436
   56    HG   SER   7           HG       SER   7 -11.512  -5.138   9.227
   57    H    GLY   8           H        GLY   8 -11.657  -8.421   6.989
   58   1HA   GLY   8          1HA       GLY   8 -14.017  -8.335   5.579
   59   2HA   GLY   8          2HA       GLY   8 -13.800  -9.347   7.016
   60    H    ASP   9           H        ASP   9 -13.614  -7.224   8.951
   61    HA   ASP   9           HA       ASP   9 -16.437  -6.729   9.373
   62   1HB   ASP   9          1HB       ASP   9 -15.810  -5.972  11.508
   63   2HB   ASP   9          2HB       ASP   9 -14.709  -7.311  11.163
   64    H    GLY  10           H        GLY  10 -14.428  -5.102   7.317
   65   1HA   GLY  10          1HA       GLY  10 -14.881  -3.156   6.195
   66   2HA   GLY  10          2HA       GLY  10 -16.025  -2.647   7.441
   67    H    SER  11           H        SER  11 -13.330  -3.522   9.221
   68    HA   SER  11           HA       SER  11 -12.727  -0.814   9.774
   69   1HB   SER  11          1HB       SER  11 -12.378  -2.583  11.412
   70   2HB   SER  11          2HB       SER  11 -10.983  -3.191  10.485
   71    HG   SER  11           HG       SER  11 -10.400  -1.711  12.158
   72    H    LEU  12           H        LEU  12 -11.224   0.537   9.132
   73    HA   LEU  12           HA       LEU  12 -10.084   0.229   6.491
   74   1HB   LEU  12          1HB       LEU  12  -9.907   2.461   8.567
   75   2HB   LEU  12          2HB       LEU  12  -9.488   2.616   6.861
   76    HG   LEU  12           HG       LEU  12 -12.302   1.954   7.876
   77   1HD1  LEU  12          1HD1      LEU  12 -11.660   4.160   8.632
   78   2HD1  LEU  12          2HD1      LEU  12 -11.065   4.590   7.021
   79   3HD1  LEU  12          3HD1      LEU  12 -12.801   4.311   7.284
   80   1HD2  LEU  12          1HD2      LEU  12 -11.203   2.654   5.131
   81   2HD2  LEU  12          2HD2      LEU  12 -11.986   1.140   5.623
   82   3HD2  LEU  12          3HD2      LEU  12 -12.929   2.634   5.545
   83    H    VAL  13           H        VAL  13  -8.796  -1.661   7.346
   84    HA   VAL  13           HA       VAL  13  -6.045  -0.673   8.012
   85    HB   VAL  13           HB       VAL  13  -5.679  -2.703   9.351
   86   1HG1  VAL  13          1HG1      VAL  13  -8.019  -1.047  10.391
   87   2HG1  VAL  13          2HG1      VAL  13  -6.853  -1.976  11.352
   88   3HG1  VAL  13          3HG1      VAL  13  -6.311  -0.560  10.432
   89   1HG2  VAL  13          1HG2      VAL  13  -8.688  -3.160   9.164
   90   2HG2  VAL  13          2HG2      VAL  13  -7.451  -4.175   8.396
   91   3HG2  VAL  13          3HG2      VAL  13  -7.540  -4.068  10.159
   92    H    PHE  14           H        PHE  14  -4.328  -1.870   7.148
   93    HA   PHE  14           HA       PHE  14  -4.954  -3.344   4.645
   94   1HB   PHE  14          1HB       PHE  14  -2.384  -2.350   5.954
   95   2HB   PHE  14          2HB       PHE  14  -2.410  -3.367   4.533
   96    HD1  PHE  14           HD1      PHE  14  -3.170   0.013   5.869
   97    HD2  PHE  14           HD2      PHE  14  -2.609  -2.425   2.358
   98    HE1  PHE  14           HE1      PHE  14  -2.811   2.030   4.488
   99    HE2  PHE  14           HE2      PHE  14  -2.274  -0.430   1.016
  100    HZ   PHE  14           HZ       PHE  14  -2.469   1.836   2.033
  101    H    VAL  15           H        VAL  15  -4.670  -5.625   4.559
  102    HA   VAL  15           HA       VAL  15  -3.594  -6.952   7.029
  103    HB   VAL  15           HB       VAL  15  -5.907  -7.862   5.324
  104   1HG1  VAL  15          1HG1      VAL  15  -6.153  -9.606   7.051
  105   2HG1  VAL  15          2HG1      VAL  15  -4.585  -9.746   6.255
  106   3HG1  VAL  15          3HG1      VAL  15  -4.693  -9.015   7.873
  107   1HG2  VAL  15          1HG2      VAL  15  -6.621  -5.983   6.697
  108   2HG2  VAL  15          2HG2      VAL  15  -7.236  -7.488   7.385
  109   3HG2  VAL  15          3HG2      VAL  15  -5.833  -6.689   8.129
  110    HA   PRO  16           HA       PRO  16  -1.660  -7.877   7.492
  111   1HB   PRO  16          1HB       PRO  16   1.008  -7.616   6.999
  112   2HB   PRO  16          2HB       PRO  16   0.168  -9.188   7.033
  113   1HG   PRO  16          1HG       PRO  16   0.791  -7.489   4.591
  114   2HG   PRO  16          2HG       PRO  16   1.170  -9.221   4.834
  115   1HD   PRO  16          1HD       PRO  16  -1.046  -8.466   3.488
  116   2HD   PRO  16          2HD       PRO  16  -1.153  -9.811   4.650
  117    H    SER  17           H        SER  17  -0.735  -6.044   8.636
  118    HA   SER  17           HA       SER  17  -1.205  -3.454   7.381
  119   1HB   SER  17          1HB       SER  17  -0.678  -2.813   9.822
  120   2HB   SER  17          2HB       SER  17  -2.115  -3.820   9.543
  121    HG   SER  17           HG       SER  17  -0.805  -4.692  11.222
  122    H    GLU  18           H        GLU  18   1.311  -4.901   9.365
  123    HA   GLU  18           HA       GLU  18   3.440  -3.485   7.820
  124   1HB   GLU  18          1HB       GLU  18   3.291  -4.128  10.792
  125   2HB   GLU  18          2HB       GLU  18   4.752  -3.567   9.953
  126   1HG   GLU  18          1HG       GLU  18   3.548  -1.547   9.183
  127   2HG   GLU  18          2HG       GLU  18   2.095  -2.053  10.057
  128    H    PHE  19           H        PHE  19   5.073  -4.739   7.015
  129    HA   PHE  19           HA       PHE  19   5.480  -7.456   8.020
  130   1HB   PHE  19          1HB       PHE  19   4.845  -8.636   5.986
  131   2HB   PHE  19          2HB       PHE  19   3.469  -7.809   6.666
  132    HD1  PHE  19           HD2      PHE  19   2.643  -5.627   5.592
  133    HD2  PHE  19           HD1      PHE  19   5.536  -8.234   3.718
  134    HE1  PHE  19           HE2      PHE  19   2.014  -4.741   3.375
  135    HE2  PHE  19           HE1      PHE  19   4.894  -7.334   1.502
  136    HZ   PHE  19           HZ       PHE  19   3.134  -5.590   1.325
  137    H    SER  20           H        SER  20   7.012  -8.692   6.452
  138    HA   SER  20           HA       SER  20   9.012  -6.856   5.288
  139   1HB   SER  20          1HB       SER  20  10.717  -8.498   6.184
  140   2HB   SER  20          2HB       SER  20   9.887  -7.572   7.451
  141    HG   SER  20           HG       SER  20   9.018 -10.142   6.599
  142    H    VAL  21           H        VAL  21  10.063  -7.779   3.360
  143    HA   VAL  21           HA       VAL  21   9.100 -10.412   2.505
  144    HB   VAL  21           HB       VAL  21   7.331  -8.848   1.876
  145   1HG1  VAL  21          1HG1      VAL  21   8.696  -6.749   1.660
  146   2HG1  VAL  21          2HG1      VAL  21   9.368  -7.381   0.141
  147   3HG1  VAL  21          3HG1      VAL  21   7.635  -7.058   0.279
  148   1HG2  VAL  21          1HG2      VAL  21   7.802 -10.764   0.446
  149   2HG2  VAL  21          2HG2      VAL  21   7.265  -9.379  -0.535
  150   3HG2  VAL  21          3HG2      VAL  21   8.992  -9.799  -0.453
  151    HA   PRO  22           HA       PRO  22  13.280 -10.479   0.937
  152   1HB   PRO  22          1HB       PRO  22  12.091 -12.118  -1.300
  153   2HB   PRO  22          2HB       PRO  22  13.595 -12.412  -0.385
  154   1HG   PRO  22          1HG       PRO  22  11.352 -13.796   0.242
  155   2HG   PRO  22          2HG       PRO  22  12.335 -13.081   1.556
  156   1HD   PRO  22          1HD       PRO  22   9.807 -11.976   0.311
  157   2HD   PRO  22          2HD       PRO  22  10.253 -12.149   2.034
  158    H    SER  23           H        SER  23  14.463  -9.177  -0.472
  159    HA   SER  23           HA       SER  23  13.184  -7.161  -1.964
  160   1HB   SER  23          1HB       SER  23  16.032  -8.192  -2.284
  161   2HB   SER  23          2HB       SER  23  15.424  -6.602  -2.776
  162    HG   SER  23           HG       SER  23  15.557  -7.614  -0.113
  163    H    GLY  24           H        GLY  24  12.445  -6.967  -4.021
  164   1HA   GLY  24          1HA       GLY  24  12.521  -7.417  -6.349
  165   2HA   GLY  24          2HA       GLY  24  13.208  -9.012  -6.061
  166    H    GLU  25           H        GLU  25  10.935  -9.216  -3.761
  167    HA   GLU  25           HA       GLU  25   9.166 -10.669  -5.470
  168   1HB   GLU  25          1HB       GLU  25   9.021  -9.784  -2.587
  169   2HB   GLU  25          2HB       GLU  25   7.832 -10.865  -3.304
  170   1HG   GLU  25          1HG       GLU  25  10.830 -11.434  -3.134
  171   2HG   GLU  25          2HG       GLU  25   9.596 -12.111  -2.061
  172    H    LYS  26           H        LYS  26   6.949 -10.454  -5.671
  173    HA   LYS  26           HA       LYS  26   6.065  -7.744  -6.354
  174   1HB   LYS  26          1HB       LYS  26   5.978  -9.506  -8.003
  175   2HB   LYS  26          2HB       LYS  26   4.961 -10.509  -6.954
  176   1HG   LYS  26          1HG       LYS  26   3.142  -8.863  -7.082
  177   2HG   LYS  26          2HG       LYS  26   4.131  -7.777  -8.054
  178   1HD   LYS  26          1HD       LYS  26   3.290 -10.607  -8.846
  179   2HD   LYS  26          2HD       LYS  26   2.475  -9.131  -9.362
  180   1HE   LYS  26          1HE       LYS  26   5.317  -9.975 -10.095
  181   2HE   LYS  26          2HE       LYS  26   3.903  -9.909 -11.146
  182   1HZ   LYS  26          1HZ       LYS  26   3.835  -7.522 -10.762
  183   2HZ   LYS  26          2HZ       LYS  26   5.239  -7.609  -9.895
  184   3HZ   LYS  26          3HZ       LYS  26   5.228  -8.014 -11.486
  185    H    ILE  27           H        ILE  27   4.275  -6.756  -5.476
  186    HA   ILE  27           HA       ILE  27   2.906  -8.070  -3.185
  187    HB   ILE  27           HB       ILE  27   3.483  -5.119  -3.483
  188   1HG1  ILE  27          1HG1      ILE  27   4.911  -7.167  -1.719
  189   2HG1  ILE  27          2HG1      ILE  27   5.614  -6.365  -3.134
  190   1HG2  ILE  27          1HG2      ILE  27   2.676  -4.987  -1.164
  191   2HG2  ILE  27          2HG2      ILE  27   1.451  -5.764  -2.155
  192   3HG2  ILE  27          3HG2      ILE  27   2.489  -6.751  -1.106
  193   1HD1  ILE  27          1HD1      ILE  27   5.306  -4.153  -2.035
  194   2HD1  ILE  27          2HD1      ILE  27   4.809  -5.002  -0.551
  195   3HD1  ILE  27          3HD1      ILE  27   6.433  -5.250  -1.210
  196    H    VAL  28           H        VAL  28   0.737  -8.049  -3.326
  197    HA   VAL  28           HA       VAL  28  -0.590  -6.646  -5.622
  198    HB   VAL  28           HB       VAL  28  -1.090  -9.442  -4.531
  199   1HG1  VAL  28          1HG1      VAL  28  -2.472  -7.895  -6.772
  200   2HG1  VAL  28          2HG1      VAL  28  -2.708  -9.618  -6.423
  201   3HG1  VAL  28          3HG1      VAL  28  -3.210  -8.406  -5.242
  202   1HG2  VAL  28          1HG2      VAL  28  -0.398 -10.204  -6.774
  203   2HG2  VAL  28          2HG2      VAL  28   0.020  -8.538  -7.216
  204   3HG2  VAL  28          3HG2      VAL  28   0.924  -9.384  -5.940
  205    H    PHE  29           H        PHE  29  -1.510  -4.952  -4.513
  206    HA   PHE  29           HA       PHE  29  -2.892  -5.439  -1.950
  207   1HB   PHE  29          1HB       PHE  29  -2.636  -2.979  -3.689
  208   2HB   PHE  29          2HB       PHE  29  -3.430  -3.037  -2.126
  209    HD1  PHE  29           HD1      PHE  29  -0.160  -3.118  -3.852
  210    HD2  PHE  29           HD2      PHE  29  -2.150  -3.142  -0.031
  211    HE1  PHE  29           HE1      PHE  29   1.975  -2.546  -2.719
  212    HE2  PHE  29           HE2      PHE  29  -0.036  -2.438   1.074
  213    HZ   PHE  29           HZ       PHE  29   2.030  -2.158  -0.274
  214    H    LYS  30           H        LYS  30  -5.168  -5.706  -1.832
  215    HA   LYS  30           HA       LYS  30  -6.747  -5.448  -4.371
  216   1HB   LYS  30          1HB       LYS  30  -6.036  -7.736  -4.200
  217   2HB   LYS  30          2HB       LYS  30  -6.504  -7.819  -2.512
  218   1HG   LYS  30          1HG       LYS  30  -8.767  -7.082  -4.311
  219   2HG   LYS  30          2HG       LYS  30  -8.035  -8.640  -4.684
  220   1HD   LYS  30          1HD       LYS  30  -8.279  -9.408  -2.386
  221   2HD   LYS  30          2HD       LYS  30  -8.938  -7.838  -1.878
  222   1HE   LYS  30          1HE       LYS  30 -10.908  -8.162  -3.277
  223   2HE   LYS  30          2HE       LYS  30 -10.239  -9.660  -3.949
  224   1HZ   LYS  30          1HZ       LYS  30 -10.317 -10.610  -1.766
  225   2HZ   LYS  30          2HZ       LYS  30 -10.922  -9.219  -1.123
  226   3HZ   LYS  30          3HZ       LYS  30 -11.810 -10.076  -2.209
  227    H    ASN  31           H        ASN  31  -8.681  -4.464  -4.159
  228    HA   ASN  31           HA       ASN  31  -9.560  -3.376  -1.635
  229   1HB   ASN  31          1HB       ASN  31 -10.666  -3.521  -4.458
  230   2HB   ASN  31          2HB       ASN  31 -11.767  -3.193  -3.120
  231   1HD2  ASN  31          1HD2      ASN  31 -11.095   0.151  -4.043
  232   2HD2  ASN  31          2HD2      ASN  31 -12.042  -1.244  -4.549
  233    H    ASN  32           H        ASN  32 -10.014  -4.817  -0.039
  234    HA   ASN  32           HA       ASN  32 -11.661  -7.211  -0.639
  235   1HB   ASN  32          1HB       ASN  32  -9.685  -7.457   0.703
  236   2HB   ASN  32          2HB       ASN  32 -10.216  -6.252   1.852
  237   1HD2  ASN  32          1HD2      ASN  32 -12.112  -8.554   3.730
  238   2HD2  ASN  32          2HD2      ASN  32 -11.274  -7.000   3.640
  239    H    ALA  33           H        ALA  33 -11.606  -4.620   1.769
  240    HA   ALA  33           HA       ALA  33 -14.528  -4.156   1.539
  241   1HB   ALA  33          1HB       ALA  33 -14.893  -4.581   3.965
  242   2HB   ALA  33          2HB       ALA  33 -14.367  -6.051   3.129
  243   3HB   ALA  33          3HB       ALA  33 -13.207  -5.126   4.102
  244    H    GLY  34           H        GLY  34 -15.027  -2.380   3.434
  245   1HA   GLY  34          1HA       GLY  34 -14.709  -0.211   4.065
  246   2HA   GLY  34          2HA       GLY  34 -13.073  -0.723   4.488
  247    H    PHE  35           H        PHE  35 -13.878  -0.936   1.119
  248    HA   PHE  35           HA       PHE  35 -11.956   1.104   0.300
  249   1HB   PHE  35          1HB       PHE  35 -12.471   0.233  -1.922
  250   2HB   PHE  35          2HB       PHE  35 -12.132  -1.013  -0.775
  251    HD1  PHE  35           HD1      PHE  35 -15.002   0.847  -2.278
  252    HD2  PHE  35           HD2      PHE  35 -13.541  -2.831  -0.563
  253    HE1  PHE  35           HE1      PHE  35 -17.203  -0.238  -2.715
  254    HE2  PHE  35           HE2      PHE  35 -15.782  -3.870  -0.865
  255    HZ   PHE  35           HZ       PHE  35 -17.609  -2.582  -1.965
  256    HA   PRO  36           HA       PRO  36 -12.486   2.220  -2.278
  257   1HB   PRO  36          1HB       PRO  36 -12.269   5.178  -1.901
  258   2HB   PRO  36          2HB       PRO  36 -12.341   4.302  -3.450
  259   1HG   PRO  36          1HG       PRO  36 -14.530   5.595  -2.495
  260   2HG   PRO  36          2HG       PRO  36 -14.741   3.916  -3.084
  261   1HD   PRO  36          1HD       PRO  36 -14.314   4.825  -0.211
  262   2HD   PRO  36          2HD       PRO  36 -15.580   3.754  -0.875
  263    H    HIS  37           H        HIS  37 -10.206   2.546  -2.720
  264    HA   HIS  37           HA       HIS  37  -8.563   3.623  -0.549
  265   1HB   HIS  37          1HB       HIS  37  -8.335   0.725  -1.454
  266   2HB   HIS  37          2HB       HIS  37  -7.295   1.493  -0.265
  267    HD2  HIS  37           HD2      HIS  37  -9.845  -1.007  -0.374
  268    HE1  HIS  37           HE1      HIS  37 -10.207   0.600   3.525
  269    HE2  HIS  37           HE2      HIS  37 -10.665  -1.416   2.029
  270    H    ASN  38           H        ASN  38  -6.205   3.378  -1.017
  271    HA   ASN  38           HA       ASN  38  -5.259   2.696  -3.590
  272   1HB   ASN  38          1HB       ASN  38  -4.416   4.864  -4.287
  273   2HB   ASN  38          2HB       ASN  38  -6.168   4.892  -4.199
  274   1HD2  ASN  38          1HD2      ASN  38  -5.569   8.089  -2.757
  275   2HD2  ASN  38          2HD2      ASN  38  -5.921   7.263  -4.271
  276    H    VAL  39           H        VAL  39  -2.727   3.575  -3.418
  277    HA   VAL  39           HA       VAL  39  -1.897   3.322  -0.575
  278    HB   VAL  39           HB       VAL  39  -0.717   1.706  -2.848
  279   1HG1  VAL  39          1HG1      VAL  39   0.895   2.306  -1.048
  280   2HG1  VAL  39          2HG1      VAL  39  -0.227   1.654   0.166
  281   3HG1  VAL  39          3HG1      VAL  39   0.527   0.578  -1.024
  282   1HG2  VAL  39          1HG2      VAL  39  -1.668  -0.258  -1.479
  283   2HG2  VAL  39          2HG2      VAL  39  -2.658   0.939  -0.631
  284   3HG2  VAL  39          3HG2      VAL  39  -2.859   0.700  -2.374
  285    H    VAL  40           H        VAL  40  -0.586   4.909  -0.096
  286    HA   VAL  40           HA       VAL  40   1.049   6.244  -2.189
  287    HB   VAL  40           HB       VAL  40  -0.384   7.435   0.229
  288   1HG1  VAL  40          1HG1      VAL  40   1.759   8.592  -0.217
  289   2HG1  VAL  40          2HG1      VAL  40   1.315   8.777  -1.925
  290   3HG1  VAL  40          3HG1      VAL  40   0.393   9.618  -0.667
  291   1HG2  VAL  40          1HG2      VAL  40  -2.010   6.988  -1.531
  292   2HG2  VAL  40          2HG2      VAL  40  -1.666   8.723  -1.517
  293   3HG2  VAL  40          3HG2      VAL  40  -0.928   7.691  -2.751
  294    H    PHE  41           H        PHE  41   3.180   6.534  -1.574
  295    HA   PHE  41           HA       PHE  41   4.041   5.235   0.964
  296   1HB   PHE  41          1HB       PHE  41   5.442   5.765  -1.660
  297   2HB   PHE  41          2HB       PHE  41   6.246   5.170  -0.224
  298    HD1  PHE  41           HD2      PHE  41   3.716   4.289  -2.776
  299    HD2  PHE  41           HD1      PHE  41   5.943   2.953   0.623
  300    HE1  PHE  41           HE2      PHE  41   2.928   1.967  -3.189
  301    HE2  PHE  41           HE1      PHE  41   5.346   0.581   0.095
  302    HZ   PHE  41           HZ       PHE  41   3.789   0.101  -1.788
  303    H    ASP  42           H        ASP  42   5.102   6.419   2.481
  304    HA   ASP  42           HA       ASP  42   4.893   9.287   2.381
  305   1HB   ASP  42          1HB       ASP  42   4.818   8.059   4.499
  306   2HB   ASP  42          2HB       ASP  42   6.445   7.421   4.196
  307    H    GLU  43           H        GLU  43   6.228  10.690   1.347
  308    HA   GLU  43           HA       GLU  43   8.631   9.775   0.041
  309   1HB   GLU  43          1HB       GLU  43   8.709  12.117  -0.801
  310   2HB   GLU  43          2HB       GLU  43   7.221  11.236  -1.156
  311   1HG   GLU  43          1HG       GLU  43   5.977  12.458   0.542
  312   2HG   GLU  43          2HG       GLU  43   7.469  13.189   1.167
  313    H    ASP  44           H        ASP  44   9.200   9.260   2.567
  314    HA   ASP  44           HA       ASP  44  11.665  10.707   2.937
  315   1HB   ASP  44          1HB       ASP  44  10.277  12.316   4.122
  316   2HB   ASP  44          2HB       ASP  44   9.535  11.049   5.102
  317    H    GLU  45           H        GLU  45   9.378   8.748   4.947
  318    HA   GLU  45           HA       GLU  45  11.610   6.957   5.663
  319   1HB   GLU  45          1HB       GLU  45   9.790   5.799   7.027
  320   2HB   GLU  45          2HB       GLU  45  10.439   7.353   7.537
  321   1HG   GLU  45          1HG       GLU  45   8.529   8.568   6.873
  322   2HG   GLU  45          2HG       GLU  45   7.900   7.198   5.921
  323    H    ILE  46           H        ILE  46  11.799   6.717   3.347
  324    HA   ILE  46           HA       ILE  46  10.946   4.040   2.524
  325    HB   ILE  46           HB       ILE  46  10.697   4.885   0.151
  326   1HG1  ILE  46          1HG1      ILE  46  10.366   7.645   1.383
  327   2HG1  ILE  46          2HG1      ILE  46  11.786   7.096   0.488
  328   1HG2  ILE  46          1HG2      ILE  46   8.340   5.619   0.420
  329   2HG2  ILE  46          2HG2      ILE  46   8.745   4.181   1.332
  330   3HG2  ILE  46          3HG2      ILE  46   8.593   5.735   2.166
  331   1HD1  ILE  46          1HD1      ILE  46  10.454   8.297  -1.057
  332   2HD1  ILE  46          2HD1      ILE  46  10.302   6.583  -1.482
  333   3HD1  ILE  46          3HD1      ILE  46   8.984   7.412  -0.625
  334    HA   PRO  47           HA       PRO  47  15.276   3.936   1.865
  335   1HB   PRO  47          1HB       PRO  47  15.486   2.554  -0.627
  336   2HB   PRO  47          2HB       PRO  47  15.566   1.902   1.023
  337   1HG   PRO  47          1HG       PRO  47  13.331   1.837  -0.906
  338   2HG   PRO  47          2HG       PRO  47  13.595   0.823   0.544
  339   1HD   PRO  47          1HD       PRO  47  11.723   2.902   0.298
  340   2HD   PRO  47          2HD       PRO  47  12.291   2.188   1.831
  341    H    ALA  48           H        ALA  48  16.295   5.751   1.477
  342    HA   ALA  48           HA       ALA  48  15.706   7.808  -0.230
  343   1HB   ALA  48          1HB       ALA  48  18.023   8.573   0.171
  344   2HB   ALA  48          2HB       ALA  48  17.257   7.979   1.657
  345   3HB   ALA  48          3HB       ALA  48  18.447   6.971   0.806
  346    H    GLY  49           H        GLY  49  15.509   7.784  -2.379
  347   1HA   GLY  49          1HA       GLY  49  17.010   7.843  -4.429
  348   2HA   GLY  49          2HA       GLY  49  17.345   6.137  -4.086
  349    H    VAL  50           H        VAL  50  14.604   5.561  -3.050
  350    HA   VAL  50           HA       VAL  50  13.428   5.018  -5.662
  351    HB   VAL  50           HB       VAL  50  12.311   4.475  -2.884
  352   1HG1  VAL  50          1HG1      VAL  50  10.991   2.761  -4.184
  353   2HG1  VAL  50          2HG1      VAL  50  10.565   4.422  -4.611
  354   3HG1  VAL  50          3HG1      VAL  50  11.605   3.460  -5.684
  355   1HG2  VAL  50          1HG2      VAL  50  13.131   2.168  -3.298
  356   2HG2  VAL  50          2HG2      VAL  50  13.939   2.717  -4.780
  357   3HG2  VAL  50          3HG2      VAL  50  14.471   3.315  -3.192
  358    H    ASP  51           H        ASP  51  12.405   6.605  -6.743
  359    HA   ASP  51           HA       ASP  51  11.353   8.972  -5.563
  360   1HB   ASP  51          1HB       ASP  51  12.052   8.929  -7.879
  361   2HB   ASP  51          2HB       ASP  51  10.861   7.677  -8.264
  362    H    ALA  52           H        ALA  52   9.727   8.940  -4.171
  363    HA   ALA  52           HA       ALA  52   7.830   7.043  -3.610
  364   1HB   ALA  52          1HB       ALA  52   8.322   9.042  -2.235
  365   2HB   ALA  52          2HB       ALA  52   7.427  10.047  -3.393
  366   3HB   ALA  52          3HB       ALA  52   6.584   8.781  -2.471
  367    H    VAL  53           H        VAL  53   7.621   9.624  -6.074
  368    HA   VAL  53           HA       VAL  53   4.865   9.353  -6.680
  369    HB   VAL  53           HB       VAL  53   7.160  10.269  -8.463
  370   1HG1  VAL  53          1HG1      VAL  53   4.157  10.718  -8.697
  371   2HG1  VAL  53          2HG1      VAL  53   5.390  11.585  -9.635
  372   3HG1  VAL  53          3HG1      VAL  53   5.195   9.846  -9.846
  373   1HG2  VAL  53          1HG2      VAL  53   7.034  11.602  -6.375
  374   2HG2  VAL  53          2HG2      VAL  53   6.449  12.550  -7.743
  375   3HG2  VAL  53          3HG2      VAL  53   5.289  11.823  -6.615
  376    H    LYS  54           H        LYS  54   7.630   7.332  -7.641
  377    HA   LYS  54           HA       LYS  54   6.173   6.143  -9.892
  378   1HB   LYS  54          1HB       LYS  54   8.692   5.257  -8.438
  379   2HB   LYS  54          2HB       LYS  54   8.071   4.537  -9.924
  380   1HG   LYS  54          1HG       LYS  54   8.848   7.473  -9.676
  381   2HG   LYS  54          2HG       LYS  54   9.942   6.203 -10.232
  382   1HD   LYS  54          1HD       LYS  54   8.415   5.671 -12.103
  383   2HD   LYS  54          2HD       LYS  54   7.309   6.957 -11.597
  384   1HE   LYS  54          1HE       LYS  54  10.212   7.399 -12.417
  385   2HE   LYS  54          2HE       LYS  54   8.799   7.644 -13.456
  386   1HZ   LYS  54          1HZ       LYS  54   9.354   9.102 -10.963
  387   2HZ   LYS  54          2HZ       LYS  54   9.482   9.682 -12.495
  388   3HZ   LYS  54          3HZ       LYS  54   8.004   9.276 -11.894
  389    H    ILE  55           H        ILE  55   6.810   5.279  -6.524
  390    HA   ILE  55           HA       ILE  55   5.419   2.705  -6.737
  391    HB   ILE  55           HB       ILE  55   5.746   2.557  -4.356
  392   1HG1  ILE  55          1HG1      ILE  55   7.483   5.056  -4.729
  393   2HG1  ILE  55          2HG1      ILE  55   5.976   4.958  -3.785
  394   1HG2  ILE  55          1HG2      ILE  55   8.026   1.881  -4.597
  395   2HG2  ILE  55          2HG2      ILE  55   7.225   1.574  -6.127
  396   3HG2  ILE  55          3HG2      ILE  55   8.282   2.997  -5.963
  397   1HD1  ILE  55          1HD1      ILE  55   8.614   3.580  -3.314
  398   2HD1  ILE  55          2HD1      ILE  55   7.729   4.652  -2.210
  399   3HD1  ILE  55          3HD1      ILE  55   7.100   3.010  -2.577
  400    H    SER  56           H        SER  56   4.643   5.944  -5.488
  401    HA   SER  56           HA       SER  56   2.202   5.116  -4.179
  402   1HB   SER  56          1HB       SER  56   3.177   7.868  -4.986
  403   2HB   SER  56          2HB       SER  56   1.884   7.524  -3.845
  404    HG   SER  56           HG       SER  56   4.659   7.020  -3.647
  405    H    MET  57           H        MET  57   0.140   5.091  -4.858
  406    HA   MET  57           HA       MET  57  -0.501   5.625  -7.647
  407   1HB   MET  57          1HB       MET  57  -2.262   5.253  -5.175
  408   2HB   MET  57          2HB       MET  57  -2.826   5.305  -6.853
  409   1HG   MET  57          1HG       MET  57  -1.518   3.247  -7.351
  410   2HG   MET  57          2HG       MET  57  -0.921   3.219  -5.690
  411   1HE   MET  57          1HE       MET  57  -5.311   2.447  -6.880
  412   2HE   MET  57          2HE       MET  57  -4.692   4.100  -6.757
  413   3HE   MET  57          3HE       MET  57  -4.045   2.994  -7.997
  414    HA   PRO  58           HA       PRO  58  -0.899  10.032  -6.744
  415   1HB   PRO  58          1HB       PRO  58  -2.585  10.898  -8.749
  416   2HB   PRO  58          2HB       PRO  58  -0.854  10.520  -8.964
  417   1HG   PRO  58          1HG       PRO  58  -3.241   8.755  -9.537
  418   2HG   PRO  58          2HG       PRO  58  -1.827   9.033 -10.589
  419   1HD   PRO  58          1HD       PRO  58  -2.055   6.822  -8.994
  420   2HD   PRO  58          2HD       PRO  58  -0.465   7.603  -9.259
  421    H    GLU  59           H        GLU  59  -2.132  10.832  -5.148
  422    HA   GLU  59           HA       GLU  59  -4.205   9.563  -3.907
  423   1HB   GLU  59          1HB       GLU  59  -4.662  11.713  -2.762
  424   2HB   GLU  59          2HB       GLU  59  -2.962  11.237  -2.789
  425   1HG   GLU  59          1HG       GLU  59  -2.506  12.858  -4.620
  426   2HG   GLU  59          2HG       GLU  59  -4.219  13.302  -4.660
  427    H    GLU  60           H        GLU  60  -4.549  11.812  -6.570
  428    HA   GLU  60           HA       GLU  60  -7.299  12.355  -6.438
  429   1HB   GLU  60          1HB       GLU  60  -5.546  13.431  -7.888
  430   2HB   GLU  60          2HB       GLU  60  -5.582  12.017  -8.947
  431   1HG   GLU  60          1HG       GLU  60  -7.987  13.804  -8.316
  432   2HG   GLU  60          2HG       GLU  60  -6.910  14.044  -9.697
  433    H    GLU  61           H        GLU  61  -5.572   9.524  -7.694
  434    HA   GLU  61           HA       GLU  61  -8.042   8.289  -8.713
  435   1HB   GLU  61          1HB       GLU  61  -5.104   7.482  -8.771
  436   2HB   GLU  61          2HB       GLU  61  -6.432   6.554  -9.462
  437   1HG   GLU  61          1HG       GLU  61  -7.026   8.468 -10.944
  438   2HG   GLU  61          2HG       GLU  61  -5.672   9.395 -10.289
  439    H    LEU  62           H        LEU  62  -8.840   6.327  -7.936
  440    HA   LEU  62           HA       LEU  62  -7.589   4.947  -5.768
  441   1HB   LEU  62          1HB       LEU  62  -9.605   5.221  -4.229
  442   2HB   LEU  62          2HB       LEU  62  -8.295   6.392  -4.248
  443    HG   LEU  62           HG       LEU  62  -9.654   7.952  -5.631
  444   1HD1  LEU  62          1HD1      LEU  62 -11.230   6.488  -6.779
  445   2HD1  LEU  62          2HD1      LEU  62 -11.830   5.838  -5.236
  446   3HD1  LEU  62          3HD1      LEU  62 -12.145   7.526  -5.688
  447   1HD2  LEU  62          1HD2      LEU  62  -9.466   8.040  -3.220
  448   2HD2  LEU  62          2HD2      LEU  62 -11.090   8.559  -3.727
  449   3HD2  LEU  62          3HD2      LEU  62 -10.841   6.930  -3.038
  450    H    LEU  63           H        LEU  63  -8.519   3.011  -5.272
  451    HA   LEU  63           HA       LEU  63 -10.034   1.739  -7.426
  452   1HB   LEU  63          1HB       LEU  63  -9.069   0.661  -4.743
  453   2HB   LEU  63          2HB       LEU  63  -9.586  -0.274  -6.154
  454    HG   LEU  63           HG       LEU  63  -7.089   1.440  -5.844
  455   1HD1  LEU  63          1HD1      LEU  63  -7.459  -1.546  -6.239
  456   2HD1  LEU  63          2HD1      LEU  63  -5.912  -0.698  -6.053
  457   3HD1  LEU  63          3HD1      LEU  63  -7.062  -0.750  -4.701
  458   1HD2  LEU  63          1HD2      LEU  63  -8.073  -0.091  -8.297
  459   2HD2  LEU  63          2HD2      LEU  63  -7.807   1.659  -8.180
  460   3HD2  LEU  63          3HD2      LEU  63  -6.434   0.547  -8.100
  461    H    ASN  64           H        ASN  64 -12.175   2.303  -7.392
  462    HA   ASN  64           HA       ASN  64 -13.546   2.978  -4.886
  463   1HB   ASN  64          1HB       ASN  64 -15.303   3.790  -6.301
  464   2HB   ASN  64          2HB       ASN  64 -13.750   4.440  -6.850
  465   1HD2  ASN  64          1HD2      ASN  64 -15.892   3.077  -9.735
  466   2HD2  ASN  64          2HD2      ASN  64 -16.335   4.082  -8.369
  467    H    ALA  65           H        ALA  65 -13.679   0.464  -7.399
  468    HA   ALA  65           HA       ALA  65 -16.070  -0.757  -6.172
  469   1HB   ALA  65          1HB       ALA  65 -15.923  -2.260  -8.174
  470   2HB   ALA  65          2HB       ALA  65 -15.916  -0.542  -8.610
  471   3HB   ALA  65          3HB       ALA  65 -14.411  -1.476  -8.624
  472    HA   PRO  66           HA       PRO  66 -13.779  -3.843  -3.874
  473   1HB   PRO  66          1HB       PRO  66 -15.331  -6.097  -4.117
  474   2HB   PRO  66          2HB       PRO  66 -15.808  -4.699  -3.125
  475   1HG   PRO  66          1HG       PRO  66 -16.648  -5.316  -5.966
  476   2HG   PRO  66          2HG       PRO  66 -17.699  -4.877  -4.587
  477   1HD   PRO  66          1HD       PRO  66 -16.933  -3.031  -6.387
  478   2HD   PRO  66          2HD       PRO  66 -16.965  -2.606  -4.659
  479    H    GLY  67           H        GLY  67 -12.561  -5.910  -4.201
  480   1HA   GLY  67          1HA       GLY  67 -11.541  -7.547  -5.477
  481   2HA   GLY  67          2HA       GLY  67 -12.526  -7.109  -6.868
  482    H    GLU  68           H        GLU  68 -11.824  -4.387  -7.143
  483    HA   GLU  68           HA       GLU  68  -9.727  -4.356  -8.870
  484   1HB   GLU  68          1HB       GLU  68 -10.565  -2.161  -6.938
  485   2HB   GLU  68          2HB       GLU  68  -9.481  -1.921  -8.322
  486   1HG   GLU  68          1HG       GLU  68 -11.311  -2.795  -9.830
  487   2HG   GLU  68          2HG       GLU  68 -12.401  -2.778  -8.433
  488    H    THR  69           H        THR  69  -7.504  -4.319  -8.873
  489    HA   THR  69           HA       THR  69  -6.163  -4.474  -6.244
  490    HB   THR  69           HB       THR  69  -4.523  -5.901  -7.483
  491    HG1  THR  69           HG1      THR  69  -5.209  -6.591  -9.583
  492   1HG2  THR  69          1HG2      THR  69  -5.877  -7.888  -7.642
  493   2HG2  THR  69          2HG2      THR  69  -6.532  -6.916  -6.312
  494   3HG2  THR  69          3HG2      THR  69  -7.358  -6.946  -7.880
  495    OH   TYR  70           OH       TYR  70   2.386   0.681  -5.296
  496    H    TYR  70           H        TYR  70  -3.885  -3.967  -6.277
  497    HA   TYR  70           HA       TYR  70  -2.878  -1.997  -8.242
  498   1HB   TYR  70          1HB       TYR  70  -3.556  -0.438  -6.637
  499   2HB   TYR  70          2HB       TYR  70  -3.309  -1.526  -5.294
  500    HD1  TYR  70           HD1      TYR  70  -1.164  -0.049  -8.061
  501    HD2  TYR  70           HD2      TYR  70  -1.605  -0.881  -3.856
  502    HE1  TYR  70           HE1      TYR  70   1.144   0.761  -7.648
  503    HE2  TYR  70           HE2      TYR  70   0.744  -0.202  -3.478
  504    HH   TYR  70           HH       TYR  70   2.662   1.461  -5.794
  505    H    VAL  71           H        VAL  71  -1.096  -3.042  -8.959
  506    HA   VAL  71           HA       VAL  71   0.280  -4.975  -7.163
  507    HB   VAL  71           HB       VAL  71   0.294  -4.763 -10.197
  508   1HG1  VAL  71          1HG1      VAL  71   2.326  -5.851  -9.359
  509   2HG1  VAL  71          2HG1      VAL  71   1.363  -6.871  -8.269
  510   3HG1  VAL  71          3HG1      VAL  71   1.247  -7.075 -10.032
  511   1HG2  VAL  71          1HG2      VAL  71  -1.112  -6.828 -10.099
  512   2HG2  VAL  71          2HG2      VAL  71  -1.250  -6.622  -8.340
  513   3HG2  VAL  71          3HG2      VAL  71  -1.951  -5.420  -9.443
  514    H    VAL  72           H        VAL  72   2.507  -4.865  -6.883
  515    HA   VAL  72           HA       VAL  72   4.128  -2.923  -8.351
  516    HB   VAL  72           HB       VAL  72   3.042  -1.562  -6.585
  517   1HG1  VAL  72          1HG1      VAL  72   3.627  -1.853  -4.230
  518   2HG1  VAL  72          2HG1      VAL  72   2.772  -3.283  -4.841
  519   3HG1  VAL  72          3HG1      VAL  72   4.538  -3.326  -4.604
  520   1HG2  VAL  72          1HG2      VAL  72   5.323  -0.995  -7.427
  521   2HG2  VAL  72          2HG2      VAL  72   4.977  -0.422  -5.788
  522   3HG2  VAL  72          3HG2      VAL  72   6.009  -1.837  -6.016
  523    H    THR  73           H        THR  73   6.444  -3.163  -7.606
  524    HA   THR  73           HA       THR  73   7.080  -5.744  -6.335
  525    HB   THR  73           HB       THR  73   7.969  -5.011  -9.167
  526    HG1  THR  73           HG1      THR  73   5.826  -6.377  -8.152
  527   1HG2  THR  73          1HG2      THR  73   8.408  -7.562  -7.556
  528   2HG2  THR  73          2HG2      THR  73   8.938  -7.264  -9.218
  529   3HG2  THR  73          3HG2      THR  73   9.660  -6.344  -7.886
  530    H    LEU  74           H        LEU  74   8.685  -5.331  -4.926
  531    HA   LEU  74           HA       LEU  74  10.145  -2.730  -5.232
  532   1HB   LEU  74          1HB       LEU  74   9.586  -4.308  -2.722
  533   2HB   LEU  74          2HB       LEU  74  10.366  -2.720  -2.875
  534    HG   LEU  74           HG       LEU  74   7.460  -3.370  -3.563
  535   1HD1  LEU  74          1HD1      LEU  74   7.958  -3.313  -1.132
  536   2HD1  LEU  74          2HD1      LEU  74   8.631  -1.679  -1.317
  537   3HD1  LEU  74          3HD1      LEU  74   6.913  -1.973  -1.635
  538   1HD2  LEU  74          1HD2      LEU  74   8.994  -0.734  -3.693
  539   2HD2  LEU  74          2HD2      LEU  74   8.218  -1.576  -5.047
  540   3HD2  LEU  74          3HD2      LEU  74   7.225  -0.873  -3.766
  541    H    ASP  75           H        ASP  75  11.895  -3.202  -6.373
  542    HA   ASP  75           HA       ASP  75  13.596  -5.512  -5.856
  543   1HB   ASP  75          1HB       ASP  75  13.441  -4.586  -8.102
  544   2HB   ASP  75          2HB       ASP  75  13.964  -2.991  -7.529
  545    H    THR  76           H        THR  76  13.778  -1.976  -5.211
  546    HA   THR  76           HA       THR  76  16.340  -2.137  -3.961
  547    HB   THR  76           HB       THR  76  14.269   0.066  -3.649
  548    HG1  THR  76           HG1      THR  76  15.964  -0.522  -5.841
  549   1HG2  THR  76          1HG2      THR  76  16.265   1.521  -3.676
  550   2HG2  THR  76          2HG2      THR  76  16.360   0.351  -2.350
  551   3HG2  THR  76          3HG2      THR  76  17.320   0.104  -3.828
  552    H    LYS  77           H        LYS  77  16.806  -2.833  -1.910
  553    HA   LYS  77           HA       LYS  77  14.938  -3.705  -0.025
  554   1HB   LYS  77          1HB       LYS  77  17.301  -4.433  -0.671
  555   2HB   LYS  77          2HB       LYS  77  17.920  -2.954   0.099
  556   1HG   LYS  77          1HG       LYS  77  16.785  -3.785   2.157
  557   2HG   LYS  77          2HG       LYS  77  16.475  -5.311   1.279
  558   1HD   LYS  77          1HD       LYS  77  18.973  -5.490   0.879
  559   2HD   LYS  77          2HD       LYS  77  19.204  -4.087   1.938
  560   1HE   LYS  77          1HE       LYS  77  18.052  -6.811   2.702
  561   2HE   LYS  77          2HE       LYS  77  19.614  -6.139   3.192
  562   1HZ   LYS  77          1HZ       LYS  77  18.418  -4.407   4.355
  563   2HZ   LYS  77          2HZ       LYS  77  16.974  -5.081   3.936
  564   3HZ   LYS  77          3HZ       LYS  77  18.013  -5.901   4.917
  565    H    GLY  78           H        GLY  78  14.675  -2.928   2.066
  566   1HA   GLY  78          1HA       GLY  78  15.360  -1.076   3.688
  567   2HA   GLY  78          2HA       GLY  78  14.862   0.061   2.429
  568    H    THR  79           H        THR  79  13.564   0.559   4.586
  569    HA   THR  79           HA       THR  79  11.024  -0.973   4.663
  570    HB   THR  79           HB       THR  79  12.244   0.913   6.683
  571    HG1  THR  79           HG1      THR  79  12.541  -0.987   7.803
  572   1HG2  THR  79          1HG2      THR  79  10.355   0.113   8.133
  573   2HG2  THR  79          2HG2      THR  79   9.788   1.093   6.775
  574   3HG2  THR  79          3HG2      THR  79   9.628  -0.676   6.719
  575    OH   TYR  80           OH       TYR  80  11.785  -0.258  -2.726
  576    H    TYR  80           H        TYR  80   9.414  -0.240   3.621
  577    HA   TYR  80           HA       TYR  80   9.265   2.596   2.742
  578   1HB   TYR  80          1HB       TYR  80   7.968   0.029   1.783
  579   2HB   TYR  80          2HB       TYR  80   7.571   1.617   1.173
  580    HD1  TYR  80           HD2      TYR  80  10.536  -0.668   1.608
  581    HD2  TYR  80           HD1      TYR  80   8.501   2.236  -0.838
  582    HE1  TYR  80           HE2      TYR  80  12.064  -1.167  -0.248
  583    HE2  TYR  80           HE1      TYR  80   9.857   1.526  -2.774
  584    HH   TYR  80           HH       TYR  80  12.423  -0.939  -2.480
  585    H    SER  81           H        SER  81   8.005   3.801   4.116
  586    HA   SER  81           HA       SER  81   5.789   2.535   5.588
  587   1HB   SER  81          1HB       SER  81   6.485   5.473   5.456
  588   2HB   SER  81          2HB       SER  81   5.627   4.602   6.737
  589    HG   SER  81           HG       SER  81   8.375   4.434   5.998
  590    H    PHE  82           H        PHE  82   3.638   2.537   4.835
  591    HA   PHE  82           HA       PHE  82   2.940   4.477   2.710
  592   1HB   PHE  82          1HB       PHE  82   1.771   2.741   1.453
  593   2HB   PHE  82          2HB       PHE  82   3.466   2.440   1.552
  594    HD1  PHE  82           HD2      PHE  82   0.139   1.463   2.917
  595    HD2  PHE  82           HD1      PHE  82   4.287   0.274   2.521
  596    HE1  PHE  82           HE2      PHE  82  -0.374  -0.729   3.919
  597    HE2  PHE  82           HE1      PHE  82   3.719  -1.924   3.471
  598    HZ   PHE  82           HZ       PHE  82   1.410  -2.422   4.222
  599    OH   TYR  83           OH       TYR  83   1.151  10.591   1.892
  600    H    TYR  83           H        TYR  83   0.645   4.518   2.235
  601    HA   TYR  83           HA       TYR  83  -1.194   3.836   4.379
  602   1HB   TYR  83          1HB       TYR  83  -1.778   6.187   4.929
  603   2HB   TYR  83          2HB       TYR  83  -0.131   5.772   5.390
  604    HD1  TYR  83           HD2      TYR  83  -2.172   7.685   2.943
  605    HD2  TYR  83           HD1      TYR  83   1.801   6.835   4.377
  606    HE1  TYR  83           HE2      TYR  83  -1.332   9.749   1.849
  607    HE2  TYR  83           HE1      TYR  83   2.645   8.856   3.238
  608    HH   TYR  83           HH       TYR  83   2.103  10.704   1.957
  609    H    CYS  84           H        CYS  84  -3.392   4.560   3.955
  610    HA   CYS  84           HA       CYS  84  -4.005   4.709   1.017
  611   1HB   CYS  84          1HB       CYS  84  -5.112   2.850   2.173
  612   2HB   CYS  84          2HB       CYS  84  -5.564   3.936   3.498
  613    H    SER  85           H        SER  85  -3.963   6.801   0.434
  614    HA   SER  85           HA       SER  85  -4.085   8.920   2.090
  615   1HB   SER  85          1HB       SER  85  -4.786  10.376   0.139
  616   2HB   SER  85          2HB       SER  85  -3.308   9.424   0.018
  617    HG   SER  85           HG       SER  85  -4.539   7.838  -1.145
  618    HA   PRO  86           HA       PRO  86  -8.728   9.931   1.803
  619   1HB   PRO  86          1HB       PRO  86 -10.543   7.930   1.206
  620   2HB   PRO  86          2HB       PRO  86  -9.837   9.063   0.021
  621   1HG   PRO  86          1HG       PRO  86  -8.880   6.273   0.693
  622   2HG   PRO  86          2HG       PRO  86  -9.203   6.952  -0.929
  623   1HD   PRO  86          1HD       PRO  86  -6.694   6.911  -0.005
  624   2HD   PRO  86          2HD       PRO  86  -7.309   8.389  -0.799
  625    H    HIS  87           H        HIS  87  -7.186   7.278   3.365
  626    HA   HIS  87           HA       HIS  87  -9.002   7.629   5.703
  627   1HB   HIS  87          1HB       HIS  87  -7.913   5.016   4.649
  628   2HB   HIS  87          2HB       HIS  87  -8.828   5.214   6.143
  629    HD2  HIS  87           HD2      HIS  87 -11.361   6.726   5.458
  630    HE1  HIS  87           HE1      HIS  87 -12.026   3.937   2.327
  631    HE2  HIS  87           HE2      HIS  87 -13.107   5.675   3.819
  632    H    GLN  88           H        GLN  88  -6.048   8.462   4.681
  633    HA   GLN  88           HA       GLN  88  -4.328   7.170   6.519
  634   1HB   GLN  88          1HB       GLN  88  -2.768   8.873   6.018
  635   2HB   GLN  88          2HB       GLN  88  -3.633   8.436   4.550
  636   1HG   GLN  88          1HG       GLN  88  -5.065  10.534   4.903
  637   2HG   GLN  88          2HG       GLN  88  -3.939  10.984   6.186
  638   1HE2  GLN  88          1HE2      GLN  88  -1.210  11.634   3.905
  639   2HE2  GLN  88          2HE2      GLN  88  -1.547  11.080   5.536
  640    H    GLY  89           H        GLY  89  -6.362  10.070   6.788
  641   1HA   GLY  89          1HA       GLY  89  -5.642  10.927   9.385
  642   2HA   GLY  89          2HA       GLY  89  -7.215  11.183   8.604
  643    H    ALA  90           H        ALA  90  -7.752   8.272   8.294
  644    HA   ALA  90           HA       ALA  90  -8.816   7.758  10.983
  645   1HB   ALA  90          1HB       ALA  90 -10.075   5.997   9.891
  646   2HB   ALA  90          2HB       ALA  90 -10.219   7.495   8.952
  647   3HB   ALA  90          3HB       ALA  90  -9.143   6.194   8.394
  648    H    GLY  91           H        GLY  91  -5.786   7.282   9.737
  649   1HA   GLY  91          1HA       GLY  91  -4.093   6.075  10.658
  650   2HA   GLY  91          2HA       GLY  91  -5.231   5.114  11.605
  651    H    MET  92           H        MET  92  -5.876   5.292   8.112
  652    HA   MET  92           HA       MET  92  -5.231   2.439   7.962
  653   1HB   MET  92          1HB       MET  92  -7.219   3.375   6.841
  654   2HB   MET  92          2HB       MET  92  -6.153   4.248   5.721
  655   1HG   MET  92          1HG       MET  92  -5.249   2.170   4.862
  656   2HG   MET  92          2HG       MET  92  -5.919   1.255   6.199
  657   1HE   MET  92          1HE       MET  92  -5.939   0.211   3.271
  658   2HE   MET  92          2HE       MET  92  -6.458  -0.597   4.757
  659   3HE   MET  92          3HE       MET  92  -7.533  -0.571   3.350
  660    H    VAL  93           H        VAL  93  -3.034   2.724   8.564
  661    HA   VAL  93           HA       VAL  93  -1.184   3.466   6.348
  662    HB   VAL  93           HB       VAL  93   0.435   4.153   7.938
  663   1HG1  VAL  93          1HG1      VAL  93  -1.358   5.817   7.276
  664   2HG1  VAL  93          2HG1      VAL  93  -2.209   5.430   8.775
  665   3HG1  VAL  93          3HG1      VAL  93  -0.591   6.143   8.837
  666   1HG2  VAL  93          1HG2      VAL  93  -0.060   4.239  10.357
  667   2HG2  VAL  93          2HG2      VAL  93  -1.599   3.399  10.070
  668   3HG2  VAL  93          3HG2      VAL  93  -0.056   2.573   9.752
  669    H    GLY  94           H        GLY  94   0.983   2.277   6.535
  670   1HA   GLY  94          1HA       GLY  94   1.103  -0.224   7.933
  671   2HA   GLY  94          2HA       GLY  94   0.690  -0.466   6.227
  672    H    LYS  95           H        LYS  95   3.100  -1.514   6.909
  673    HA   LYS  95           HA       LYS  95   5.030   0.282   5.603
  674   1HB   LYS  95          1HB       LYS  95   5.719  -0.987   8.287
  675   2HB   LYS  95          2HB       LYS  95   6.736   0.052   7.283
  676   1HG   LYS  95          1HG       LYS  95   5.092   1.939   7.691
  677   2HG   LYS  95          2HG       LYS  95   4.241   0.867   8.820
  678   1HD   LYS  95          1HD       LYS  95   6.383   0.626  10.127
  679   2HD   LYS  95          2HD       LYS  95   7.159   1.750   8.999
  680   1HE   LYS  95          1HE       LYS  95   6.498   2.936  11.019
  681   2HE   LYS  95          2HE       LYS  95   5.551   3.530   9.647
  682   1HZ   LYS  95          1HZ       LYS  95   4.634   1.547  11.622
  683   2HZ   LYS  95          2HZ       LYS  95   4.227   3.143  11.613
  684   3HZ   LYS  95          3HZ       LYS  95   3.736   2.165  10.386
  685    H    VAL  96           H        VAL  96   6.541  -0.861   4.392
  686    HA   VAL  96           HA       VAL  96   6.535  -3.817   4.787
  687    HB   VAL  96           HB       VAL  96   5.168  -3.523   3.000
  688   1HG1  VAL  96          1HG1      VAL  96   5.973  -1.196   2.223
  689   2HG1  VAL  96          2HG1      VAL  96   7.308  -2.045   1.413
  690   3HG1  VAL  96          3HG1      VAL  96   5.633  -2.361   0.936
  691   1HG2  VAL  96          1HG2      VAL  96   7.862  -4.314   1.886
  692   2HG2  VAL  96          2HG2      VAL  96   6.809  -5.340   2.896
  693   3HG2  VAL  96          3HG2      VAL  96   6.255  -4.784   1.301
  694    H    THR  97           H        THR  97   8.378  -4.544   5.299
  695    HA   THR  97           HA       THR  97  10.893  -3.043   4.757
  696    HB   THR  97           HB       THR  97  10.258  -5.282   6.668
  697    HG1  THR  97           HG1      THR  97  11.066  -2.573   7.016
  698   1HG2  THR  97          1HG2      THR  97  12.562  -4.856   7.541
  699   2HG2  THR  97          2HG2      THR  97  12.578  -5.580   5.928
  700   3HG2  THR  97          3HG2      THR  97  12.898  -3.842   6.122
  701    H    VAL  98           H        VAL  98  11.527  -3.367   2.712
  702    HA   VAL  98           HA       VAL  98  11.340  -5.957   1.437
  703    HB   VAL  98           HB       VAL  98  12.629  -3.328   0.603
  704   1HG1  VAL  98          1HG1      VAL  98  11.743  -5.736  -1.035
  705   2HG1  VAL  98          2HG1      VAL  98  12.472  -4.244  -1.667
  706   3HG1  VAL  98          3HG1      VAL  98  13.436  -5.330  -0.656
  707   1HG2  VAL  98          1HG2      VAL  98  10.544  -3.063  -0.713
  708   2HG2  VAL  98          2HG2      VAL  98   9.872  -4.521   0.035
  709   3HG2  VAL  98          3HG2      VAL  98  10.185  -3.068   1.007
  710    H    ASN  99           H        ASN  99  12.708  -7.447   2.262
  711    HA   ASN  99           HA       ASN  99  15.592  -6.843   2.646
  712   1HB   ASN  99          1HB       ASN  99  15.650  -7.892   4.799
  713   2HB   ASN  99          2HB       ASN  99  14.495  -6.554   4.849
  714   1HD2  ASN  99          1HD2      ASN  99  12.842  -9.307   6.654
  715   2HD2  ASN  99          2HD2      ASN  99  14.146  -8.163   6.896
   
  Start of MODEL          12
 Raw file had 715 H/Q atoms
  Start of MODEL   12
    1    H    LEU   1           H        LEU   1   3.178  -9.996  -2.799
    2    HA   LEU   1           HA       LEU   1   2.509 -11.833  -0.900
    3   1HB   LEU   1          1HB       LEU   1   4.256 -10.953   0.492
    4   2HB   LEU   1          2HB       LEU   1   3.539  -9.337   0.505
    5    HG   LEU   1           HG       LEU   1   1.839 -11.621   1.491
    6   1HD1  LEU   1          1HD1      LEU   1   2.889 -11.506   3.736
    7   2HD1  LEU   1          2HD1      LEU   1   3.998 -12.155   2.516
    8   3HD1  LEU   1          3HD1      LEU   1   4.179 -10.479   3.075
    9   1HD2  LEU   1          1HD2      LEU   1   2.361  -8.847   2.667
   10   2HD2  LEU   1          2HD2      LEU   1   1.097  -9.165   1.479
   11   3HD2  LEU   1          3HD2      LEU   1   1.034  -9.953   3.063
   12    H    GLU   2           H        GLU   2   0.373 -11.697  -0.286
   13    HA   GLU   2           HA       GLU   2  -1.226  -9.660  -1.667
   14   1HB   GLU   2          1HB       GLU   2  -1.971 -12.176  -0.128
   15   2HB   GLU   2          2HB       GLU   2  -3.144 -11.041  -0.820
   16   1HG   GLU   2          1HG       GLU   2  -2.121 -11.304  -3.056
   17   2HG   GLU   2          2HG       GLU   2  -0.994 -12.510  -2.410
   18    H    VAL   3           H        VAL   3  -1.798  -7.844  -0.766
   19    HA   VAL   3           HA       VAL   3  -2.077  -7.639   2.204
   20    HB   VAL   3           HB       VAL   3  -1.452  -5.439   0.200
   21   1HG1  VAL   3          1HG1      VAL   3  -1.623  -5.510   3.246
   22   2HG1  VAL   3          2HG1      VAL   3  -1.008  -4.140   2.308
   23   3HG1  VAL   3          3HG1      VAL   3  -2.707  -4.628   2.151
   24   1HG2  VAL   3          1HG2      VAL   3   0.764  -5.360   1.207
   25   2HG2  VAL   3          2HG2      VAL   3   0.394  -6.773   2.214
   26   3HG2  VAL   3          3HG2      VAL   3   0.491  -6.931   0.447
   27    H    LEU   4           H        LEU   4  -4.216  -7.823   2.685
   28    HA   LEU   4           HA       LEU   4  -6.222  -7.055   0.630
   29   1HB   LEU   4          1HB       LEU   4  -6.614  -8.312   3.362
   30   2HB   LEU   4          2HB       LEU   4  -7.825  -8.078   2.113
   31    HG   LEU   4           HG       LEU   4  -5.436  -9.961   2.065
   32   1HD1  LEU   4          1HD1      LEU   4  -8.450 -10.399   1.826
   33   2HD1  LEU   4          2HD1      LEU   4  -7.205 -11.666   1.852
   34   3HD1  LEU   4          3HD1      LEU   4  -7.485 -10.671   3.293
   35   1HD2  LEU   4          1HD2      LEU   4  -6.323 -10.687  -0.185
   36   2HD2  LEU   4          2HD2      LEU   4  -7.335  -9.225  -0.199
   37   3HD2  LEU   4          3HD2      LEU   4  -5.558  -9.096  -0.199
   38    H    LEU   5           H        LEU   5  -7.016  -4.979   0.577
   39    HA   LEU   5           HA       LEU   5  -6.768  -3.280   2.951
   40   1HB   LEU   5          1HB       LEU   5  -8.340  -2.768   0.408
   41   2HB   LEU   5          2HB       LEU   5  -7.968  -1.680   1.742
   42    HG   LEU   5           HG       LEU   5  -6.623  -0.948   0.141
   43   1HD1  LEU   5          1HD1      LEU   5  -5.343  -1.251   2.192
   44   2HD1  LEU   5          2HD1      LEU   5  -4.768  -2.837   1.607
   45   3HD1  LEU   5          3HD1      LEU   5  -4.333  -1.344   0.740
   46   1HD2  LEU   5          1HD2      LEU   5  -6.924  -2.720  -1.487
   47   2HD2  LEU   5          2HD2      LEU   5  -5.321  -2.010  -1.426
   48   3HD2  LEU   5          3HD2      LEU   5  -5.591  -3.627  -0.707
   49    H    GLY   6           H        GLY   6  -8.023  -3.906   4.598
   50   1HA   GLY   6          1HA       GLY   6  -9.972  -3.775   5.748
   51   2HA   GLY   6          2HA       GLY   6 -10.967  -4.055   4.309
   52    H    SER   7           H        SER   7 -10.602  -5.354   7.163
   53    HA   SER   7           HA       SER   7  -9.862  -8.120   6.590
   54   1HB   SER   7          1HB       SER   7 -10.549  -8.270   9.053
   55   2HB   SER   7          2HB       SER   7  -9.254  -7.150   8.586
   56    HG   SER   7           HG       SER   7 -11.966  -6.459   9.107
   57    H    GLY   8           H        GLY   8 -11.746  -7.425   4.905
   58   1HA   GLY   8          1HA       GLY   8 -13.667  -8.252   3.891
   59   2HA   GLY   8          2HA       GLY   8 -13.884  -9.342   5.267
   60    H    ASP   9           H        ASP   9 -14.267  -7.748   7.371
   61    HA   ASP   9           HA       ASP   9 -17.012  -6.950   7.082
   62   1HB   ASP   9          1HB       ASP   9 -16.959  -6.681   9.443
   63   2HB   ASP   9          2HB       ASP   9 -15.948  -8.084   9.085
   64    H    GLY  10           H        GLY  10 -15.404  -5.264   5.428
   65   1HA   GLY  10          1HA       GLY  10 -15.227  -3.073   4.798
   66   2HA   GLY  10          2HA       GLY  10 -16.549  -2.744   5.913
   67    H    SER  11           H        SER  11 -13.957  -3.951   7.740
   68    HA   SER  11           HA       SER  11 -13.559  -1.425   8.983
   69   1HB   SER  11          1HB       SER  11 -13.276  -3.563  10.157
   70   2HB   SER  11          2HB       SER  11 -11.825  -3.907   9.184
   71    HG   SER  11           HG       SER  11 -11.349  -2.941  11.229
   72    H    LEU  12           H        LEU  12 -11.825   0.002   8.975
   73    HA   LEU  12           HA       LEU  12 -10.374   0.209   6.422
   74   1HB   LEU  12          1HB       LEU  12 -10.590   2.029   8.859
   75   2HB   LEU  12          2HB       LEU  12  -9.823   2.443   7.328
   76    HG   LEU  12           HG       LEU  12 -12.790   1.803   7.690
   77   1HD1  LEU  12          1HD1      LEU  12 -13.080   4.223   7.209
   78   2HD1  LEU  12          2HD1      LEU  12 -12.166   3.940   8.700
   79   3HD1  LEU  12          3HD1      LEU  12 -11.312   4.425   7.225
   80   1HD2  LEU  12          1HD2      LEU  12 -12.937   2.719   5.336
   81   2HD2  LEU  12          2HD2      LEU  12 -11.166   2.565   5.247
   82   3HD2  LEU  12          3HD2      LEU  12 -12.186   1.130   5.476
   83    H    VAL  13           H        VAL  13  -9.146  -1.798   6.965
   84    HA   VAL  13           HA       VAL  13  -6.643  -1.031   8.401
   85    HB   VAL  13           HB       VAL  13  -6.545  -3.334   9.341
   86   1HG1  VAL  13          1HG1      VAL  13  -8.036  -2.929  11.216
   87   2HG1  VAL  13          2HG1      VAL  13  -7.293  -1.402  10.710
   88   3HG1  VAL  13          3HG1      VAL  13  -8.979  -1.759  10.278
   89   1HG2  VAL  13          1HG2      VAL  13  -8.161  -4.495   7.849
   90   2HG2  VAL  13          2HG2      VAL  13  -8.592  -4.675   9.552
   91   3HG2  VAL  13          3HG2      VAL  13  -9.487  -3.535   8.536
   92    H    PHE  14           H        PHE  14  -4.752  -1.818   7.524
   93    HA   PHE  14           HA       PHE  14  -4.894  -3.106   4.834
   94   1HB   PHE  14          1HB       PHE  14  -2.696  -1.830   6.520
   95   2HB   PHE  14          2HB       PHE  14  -2.323  -2.903   5.190
   96    HD1  PHE  14           HD1      PHE  14  -2.504  -2.252   2.856
   97    HD2  PHE  14           HD2      PHE  14  -3.490   0.460   6.071
   98    HE1  PHE  14           HE1      PHE  14  -2.037  -0.362   1.406
   99    HE2  PHE  14           HE2      PHE  14  -3.195   2.360   4.505
  100    HZ   PHE  14           HZ       PHE  14  -2.466   1.968   2.176
  101    H    VAL  15           H        VAL  15  -4.814  -5.386   4.826
  102    HA   VAL  15           HA       VAL  15  -3.742  -6.715   7.288
  103    HB   VAL  15           HB       VAL  15  -5.736  -7.788   5.307
  104   1HG1  VAL  15          1HG1      VAL  15  -6.118  -9.474   7.062
  105   2HG1  VAL  15          2HG1      VAL  15  -4.433  -9.514   6.528
  106   3HG1  VAL  15          3HG1      VAL  15  -4.856  -8.737   8.069
  107   1HG2  VAL  15          1HG2      VAL  15  -7.390  -7.432   7.119
  108   2HG2  VAL  15          2HG2      VAL  15  -6.184  -6.483   8.016
  109   3HG2  VAL  15          3HG2      VAL  15  -6.789  -5.921   6.439
  110    HA   PRO  16           HA       PRO  16  -1.742  -7.122   7.873
  111   1HB   PRO  16          1HB       PRO  16   0.934  -7.140   7.696
  112   2HB   PRO  16          2HB       PRO  16  -0.003  -8.653   7.683
  113   1HG   PRO  16          1HG       PRO  16   1.070  -7.116   5.287
  114   2HG   PRO  16          2HG       PRO  16   1.273  -8.857   5.631
  115   1HD   PRO  16          1HD       PRO  16  -0.684  -7.884   3.980
  116   2HD   PRO  16          2HD       PRO  16  -0.968  -9.310   5.007
  117    H    SER  17           H        SER  17  -0.643  -5.229   8.811
  118    HA   SER  17           HA       SER  17  -0.655  -2.841   7.075
  119   1HB   SER  17          1HB       SER  17  -0.505  -1.758   9.365
  120   2HB   SER  17          2HB       SER  17  -1.946  -2.762   9.119
  121    HG   SER  17           HG       SER  17  -0.097  -3.060  10.999
  122    H    GLU  18           H        GLU  18   1.286  -4.216   9.674
  123    HA   GLU  18           HA       GLU  18   3.832  -3.112   8.567
  124   1HB   GLU  18          1HB       GLU  18   2.982  -4.178  11.293
  125   2HB   GLU  18          2HB       GLU  18   4.678  -4.018  10.828
  126   1HG   GLU  18          1HG       GLU  18   4.039  -2.027  12.035
  127   2HG   GLU  18          2HG       GLU  18   4.401  -1.646  10.348
  128    H    PHE  19           H        PHE  19   5.195  -4.463   7.487
  129    HA   PHE  19           HA       PHE  19   5.404  -7.253   8.272
  130   1HB   PHE  19          1HB       PHE  19   4.579  -8.322   6.304
  131   2HB   PHE  19          2HB       PHE  19   3.310  -7.316   6.930
  132    HD1  PHE  19           HD2      PHE  19   2.917  -4.979   5.830
  133    HD2  PHE  19           HD1      PHE  19   5.145  -8.201   4.005
  134    HE1  PHE  19           HE2      PHE  19   2.294  -4.159   3.583
  135    HE2  PHE  19           HE1      PHE  19   4.587  -7.307   1.767
  136    HZ   PHE  19           HZ       PHE  19   3.178  -5.277   1.552
  137    H    SER  20           H        SER  20   6.653  -8.452   6.282
  138    HA   SER  20           HA       SER  20   8.813  -6.730   5.299
  139   1HB   SER  20          1HB       SER  20   9.193  -9.425   6.700
  140   2HB   SER  20          2HB       SER  20  10.469  -8.416   5.989
  141    HG   SER  20           HG       SER  20   8.763  -7.591   8.115
  142    H    VAL  21           H        VAL  21   9.635  -7.559   3.227
  143    HA   VAL  21           HA       VAL  21   8.382 -10.005   2.246
  144    HB   VAL  21           HB       VAL  21   6.931  -7.863   1.912
  145   1HG1  VAL  21          1HG1      VAL  21   8.727  -6.393   1.017
  146   2HG1  VAL  21          2HG1      VAL  21   8.836  -7.432  -0.427
  147   3HG1  VAL  21          3HG1      VAL  21   7.340  -6.561  -0.070
  148   1HG2  VAL  21          1HG2      VAL  21   7.622  -9.690  -0.352
  149   2HG2  VAL  21          2HG2      VAL  21   6.465 -10.011   0.956
  150   3HG2  VAL  21          3HG2      VAL  21   6.131  -8.726  -0.232
  151    HA   PRO  22           HA       PRO  22  12.508 -10.252   0.603
  152   1HB   PRO  22          1HB       PRO  22  11.347 -11.793  -1.708
  153   2HB   PRO  22          2HB       PRO  22  12.732 -12.218  -0.664
  154   1HG   PRO  22          1HG       PRO  22  10.329 -13.430  -0.303
  155   2HG   PRO  22          2HG       PRO  22  11.259 -12.865   1.119
  156   1HD   PRO  22          1HD       PRO  22   8.975 -11.463  -0.287
  157   2HD   PRO  22          2HD       PRO  22   9.205 -11.789   1.456
  158    H    SER  23           H        SER  23  13.808  -9.133  -0.866
  159    HA   SER  23           HA       SER  23  12.773  -6.994  -2.391
  160   1HB   SER  23          1HB       SER  23  15.398  -8.494  -2.358
  161   2HB   SER  23          2HB       SER  23  15.109  -7.289  -3.607
  162    HG   SER  23           HG       SER  23  14.971  -5.717  -2.196
  163    H    GLY  24           H        GLY  24  11.846  -6.892  -4.295
  164   1HA   GLY  24          1HA       GLY  24  11.515  -7.348  -6.568
  165   2HA   GLY  24          2HA       GLY  24  12.359  -8.893  -6.427
  166    H    GLU  25           H        GLU  25  10.237  -8.876  -3.794
  167    HA   GLU  25           HA       GLU  25   8.460 -10.671  -5.155
  168   1HB   GLU  25          1HB       GLU  25   9.079 -10.886  -2.772
  169   2HB   GLU  25          2HB       GLU  25   8.246  -9.360  -2.432
  170   1HG   GLU  25          1HG       GLU  25   6.891 -11.361  -1.795
  171   2HG   GLU  25          2HG       GLU  25   6.079 -10.382  -3.007
  172    H    LYS  26           H        LYS  26   6.226 -10.390  -5.562
  173    HA   LYS  26           HA       LYS  26   5.478  -7.682  -6.466
  174   1HB   LYS  26          1HB       LYS  26   4.386 -10.492  -6.912
  175   2HB   LYS  26          2HB       LYS  26   3.562  -9.027  -7.435
  176   1HG   LYS  26          1HG       LYS  26   4.756  -9.922  -9.298
  177   2HG   LYS  26          2HG       LYS  26   5.491  -8.381  -8.830
  178   1HD   LYS  26          1HD       LYS  26   7.360  -9.551  -7.766
  179   2HD   LYS  26          2HD       LYS  26   6.582 -11.125  -8.023
  180   1HE   LYS  26          1HE       LYS  26   6.819 -10.812 -10.471
  181   2HE   LYS  26          2HE       LYS  26   7.502  -9.194 -10.202
  182   1HZ   LYS  26          1HZ       LYS  26   8.681 -11.726  -9.302
  183   2HZ   LYS  26          2HZ       LYS  26   9.218 -10.783 -10.543
  184   3HZ   LYS  26          3HZ       LYS  26   9.289 -10.227  -8.990
  185    H    ILE  27           H        ILE  27   4.660  -6.467  -4.775
  186    HA   ILE  27           HA       ILE  27   2.982  -7.728  -2.734
  187    HB   ILE  27           HB       ILE  27   3.398  -4.775  -3.206
  188   1HG1  ILE  27          1HG1      ILE  27   5.027  -6.668  -1.441
  189   2HG1  ILE  27          2HG1      ILE  27   5.613  -5.892  -2.921
  190   1HG2  ILE  27          1HG2      ILE  27   2.609  -6.382  -0.736
  191   2HG2  ILE  27          2HG2      ILE  27   2.718  -4.614  -0.834
  192   3HG2  ILE  27          3HG2      ILE  27   1.483  -5.458  -1.750
  193   1HD1  ILE  27          1HD1      ILE  27   6.453  -4.646  -1.088
  194   2HD1  ILE  27          2HD1      ILE  27   5.220  -3.653  -1.893
  195   3HD1  ILE  27          3HD1      ILE  27   4.857  -4.464  -0.353
  196    H    VAL  28           H        VAL  28   0.790  -7.841  -2.894
  197    HA   VAL  28           HA       VAL  28  -0.613  -6.528  -5.207
  198    HB   VAL  28           HB       VAL  28  -1.136  -9.227  -3.906
  199   1HG1  VAL  28          1HG1      VAL  28  -2.496  -7.852  -6.265
  200   2HG1  VAL  28          2HG1      VAL  28  -2.780  -9.522  -5.738
  201   3HG1  VAL  28          3HG1      VAL  28  -3.236  -8.179  -4.686
  202   1HG2  VAL  28          1HG2      VAL  28  -0.483 -10.153  -6.103
  203   2HG2  VAL  28          2HG2      VAL  28  -0.021  -8.529  -6.650
  204   3HG2  VAL  28          3HG2      VAL  28   0.862  -9.316  -5.325
  205    H    PHE  29           H        PHE  29  -1.373  -4.704  -4.148
  206    HA   PHE  29           HA       PHE  29  -2.727  -4.940  -1.541
  207   1HB   PHE  29          1HB       PHE  29  -2.336  -2.646  -3.443
  208   2HB   PHE  29          2HB       PHE  29  -3.148  -2.526  -1.893
  209    HD1  PHE  29           HD2      PHE  29  -1.901  -2.772   0.237
  210    HD2  PHE  29           HD1      PHE  29   0.090  -2.749  -3.583
  211    HE1  PHE  29           HE2      PHE  29   0.243  -2.155   1.355
  212    HE2  PHE  29           HE1      PHE  29   2.240  -2.220  -2.445
  213    HZ   PHE  29           HZ       PHE  29   2.309  -1.872  -0.007
  214    H    LYS  30           H        LYS  30  -4.564  -6.209  -1.842
  215    HA   LYS  30           HA       LYS  30  -6.334  -5.644  -4.161
  216   1HB   LYS  30          1HB       LYS  30  -5.536  -7.948  -3.736
  217   2HB   LYS  30          2HB       LYS  30  -6.401  -7.934  -2.198
  218   1HG   LYS  30          1HG       LYS  30  -8.558  -7.735  -3.320
  219   2HG   LYS  30          2HG       LYS  30  -7.771  -7.344  -4.846
  220   1HD   LYS  30          1HD       LYS  30  -8.580  -9.606  -4.961
  221   2HD   LYS  30          2HD       LYS  30  -6.816  -9.608  -5.001
  222   1HE   LYS  30          1HE       LYS  30  -7.643 -11.416  -3.576
  223   2HE   LYS  30          2HE       LYS  30  -6.752 -10.248  -2.599
  224   1HZ   LYS  30          1HZ       LYS  30  -8.862  -9.318  -1.926
  225   2HZ   LYS  30          2HZ       LYS  30  -9.683 -10.394  -2.868
  226   3HZ   LYS  30          3HZ       LYS  30  -8.808 -10.926  -1.578
  227    H    ASN  31           H        ASN  31  -8.230  -4.620  -3.982
  228    HA   ASN  31           HA       ASN  31  -9.173  -3.544  -1.458
  229   1HB   ASN  31          1HB       ASN  31 -10.157  -3.589  -4.328
  230   2HB   ASN  31          2HB       ASN  31 -11.303  -3.254  -3.030
  231   1HD2  ASN  31          1HD2      ASN  31 -10.573   0.107  -3.669
  232   2HD2  ASN  31          2HD2      ASN  31 -11.611  -1.262  -4.081
  233    H    ASN  32           H        ASN  32  -9.845  -4.991   0.096
  234    HA   ASN  32           HA       ASN  32 -11.469  -7.319  -0.736
  235   1HB   ASN  32          1HB       ASN  32  -9.623  -7.421   0.955
  236   2HB   ASN  32          2HB       ASN  32 -10.616  -6.442   2.033
  237   1HD2  ASN  32          1HD2      ASN  32 -11.460  -9.653   3.320
  238   2HD2  ASN  32          2HD2      ASN  32 -10.355  -8.279   3.486
  239    H    ALA  33           H        ALA  33 -11.655  -4.585   1.533
  240    HA   ALA  33           HA       ALA  33 -14.366  -3.851   0.763
  241   1HB   ALA  33          1HB       ALA  33 -14.824  -5.878   2.179
  242   2HB   ALA  33          2HB       ALA  33 -13.947  -5.107   3.516
  243   3HB   ALA  33          3HB       ALA  33 -15.457  -4.396   2.897
  244    H    GLY  34           H        GLY  34 -15.169  -2.118   2.495
  245   1HA   GLY  34          1HA       GLY  34 -14.781  -0.187   3.674
  246   2HA   GLY  34          2HA       GLY  34 -13.180  -0.799   4.106
  247    H    PHE  35           H        PHE  35 -13.841  -0.691   0.711
  248    HA   PHE  35           HA       PHE  35 -11.807   1.297   0.160
  249   1HB   PHE  35          1HB       PHE  35 -12.371   0.733  -2.191
  250   2HB   PHE  35          2HB       PHE  35 -12.083  -0.624  -1.177
  251    HD1  PHE  35           HD1      PHE  35 -14.858   1.478  -2.538
  252    HD2  PHE  35           HD2      PHE  35 -13.571  -2.406  -1.151
  253    HE1  PHE  35           HE1      PHE  35 -17.089   0.519  -3.106
  254    HE2  PHE  35           HE2      PHE  35 -15.833  -3.320  -1.598
  255    HZ   PHE  35           HZ       PHE  35 -17.575  -1.881  -2.576
  256    HA   PRO  36           HA       PRO  36 -12.165   2.704  -2.249
  257   1HB   PRO  36          1HB       PRO  36 -11.357   5.217  -2.640
  258   2HB   PRO  36          2HB       PRO  36 -12.948   4.636  -3.155
  259   1HG   PRO  36          1HG       PRO  36 -12.330   6.080  -0.559
  260   2HG   PRO  36          2HG       PRO  36 -13.587   6.498  -1.768
  261   1HD   PRO  36          1HD       PRO  36 -14.198   4.971   0.395
  262   2HD   PRO  36          2HD       PRO  36 -14.885   4.567  -1.202
  263    H    HIS  37           H        HIS  37  -9.933   2.641  -2.596
  264    HA   HIS  37           HA       HIS  37  -8.192   3.522  -0.394
  265   1HB   HIS  37          1HB       HIS  37  -8.309   0.688  -1.454
  266   2HB   HIS  37          2HB       HIS  37  -7.115   1.200  -0.299
  267    HD2  HIS  37           HD2      HIS  37  -9.838  -0.961  -0.389
  268    HE1  HIS  37           HE1      HIS  37 -10.234   0.646   3.517
  269    HE2  HIS  37           HE2      HIS  37 -10.810  -1.316   1.989
  270    H    ASN  38           H        ASN  38  -5.959   3.518  -0.873
  271    HA   ASN  38           HA       ASN  38  -4.934   2.819  -3.425
  272   1HB   ASN  38          1HB       ASN  38  -4.179   5.008  -4.117
  273   2HB   ASN  38          2HB       ASN  38  -5.927   4.976  -4.034
  274   1HD2  ASN  38          1HD2      ASN  38  -5.361   8.258  -2.752
  275   2HD2  ASN  38          2HD2      ASN  38  -5.575   7.336  -4.198
  276    H    VAL  39           H        VAL  39  -2.418   3.672  -3.188
  277    HA   VAL  39           HA       VAL  39  -1.691   3.519  -0.313
  278    HB   VAL  39           HB       VAL  39  -0.527   1.724  -2.449
  279   1HG1  VAL  39          1HG1      VAL  39  -0.075   1.866   0.566
  280   2HG1  VAL  39          2HG1      VAL  39   0.653   0.681  -0.536
  281   3HG1  VAL  39          3HG1      VAL  39   1.085   2.389  -0.675
  282   1HG2  VAL  39          1HG2      VAL  39  -1.553  -0.115  -1.006
  283   2HG2  VAL  39          2HG2      VAL  39  -2.488   1.138  -0.185
  284   3HG2  VAL  39          3HG2      VAL  39  -2.726   0.838  -1.917
  285    H    VAL  40           H        VAL  40  -0.417   5.131   0.108
  286    HA   VAL  40           HA       VAL  40   1.365   6.282  -1.984
  287    HB   VAL  40           HB       VAL  40  -0.052   7.572   0.388
  288   1HG1  VAL  40          1HG1      VAL  40   2.160   8.607   0.105
  289   2HG1  VAL  40          2HG1      VAL  40   1.895   8.768  -1.641
  290   3HG1  VAL  40          3HG1      VAL  40   0.914   9.705  -0.507
  291   1HG2  VAL  40          1HG2      VAL  40  -1.212   8.900  -1.308
  292   2HG2  VAL  40          2HG2      VAL  40  -0.369   8.033  -2.606
  293   3HG2  VAL  40          3HG2      VAL  40  -1.539   7.182  -1.572
  294    H    PHE  41           H        PHE  41   3.482   6.217  -1.461
  295    HA   PHE  41           HA       PHE  41   4.299   5.038   1.125
  296   1HB   PHE  41          1HB       PHE  41   5.807   5.499  -1.461
  297   2HB   PHE  41          2HB       PHE  41   6.444   4.692  -0.034
  298    HD1  PHE  41           HD2      PHE  41   4.062   4.406  -2.798
  299    HD2  PHE  41           HD1      PHE  41   5.727   2.450   0.627
  300    HE1  PHE  41           HE2      PHE  41   2.754   2.347  -3.339
  301    HE2  PHE  41           HE1      PHE  41   4.646   0.311  -0.051
  302    HZ   PHE  41           HZ       PHE  41   3.104   0.280  -2.004
  303    H    ASP  42           H        ASP  42   5.314   6.275   2.624
  304    HA   ASP  42           HA       ASP  42   5.310   9.137   2.387
  305   1HB   ASP  42          1HB       ASP  42   5.013   8.038   4.539
  306   2HB   ASP  42          2HB       ASP  42   6.586   7.234   4.380
  307    H    GLU  43           H        GLU  43   6.673  10.121   0.971
  308    HA   GLU  43           HA       GLU  43   9.034   9.194  -0.103
  309   1HB   GLU  43          1HB       GLU  43   9.560  11.643  -0.529
  310   2HB   GLU  43          2HB       GLU  43   8.067  10.971  -1.178
  311   1HG   GLU  43          1HG       GLU  43   7.681  13.206  -0.349
  312   2HG   GLU  43          2HG       GLU  43   6.727  12.066   0.585
  313    H    ASP  44           H        ASP  44   8.673  10.650   3.102
  314    HA   ASP  44           HA       ASP  44  11.520  11.084   3.468
  315   1HB   ASP  44          1HB       ASP  44   9.830  12.415   4.647
  316   2HB   ASP  44          2HB       ASP  44   9.218  10.958   5.455
  317    H    GLU  45           H        GLU  45   9.436   8.280   3.771
  318    HA   GLU  45           HA       GLU  45  11.623   6.754   5.126
  319   1HB   GLU  45          1HB       GLU  45   8.644   6.567   5.649
  320   2HB   GLU  45          2HB       GLU  45   9.903   5.510   6.323
  321   1HG   GLU  45          1HG       GLU  45  10.952   7.546   7.383
  322   2HG   GLU  45          2HG       GLU  45   9.557   8.495   6.846
  323    H    ILE  46           H        ILE  46  12.042   6.542   2.730
  324    HA   ILE  46           HA       ILE  46  11.288   3.871   1.924
  325    HB   ILE  46           HB       ILE  46  10.913   4.588  -0.444
  326   1HG1  ILE  46          1HG1      ILE  46  10.434   7.362   0.687
  327   2HG1  ILE  46          2HG1      ILE  46  11.858   6.890  -0.250
  328   1HG2  ILE  46          1HG2      ILE  46   8.723   5.631   1.368
  329   2HG2  ILE  46          2HG2      ILE  46   8.598   4.968  -0.269
  330   3HG2  ILE  46          3HG2      ILE  46   9.049   3.915   1.067
  331   1HD1  ILE  46          1HD1      ILE  46  10.382   7.939  -1.777
  332   2HD1  ILE  46          2HD1      ILE  46  10.324   6.204  -2.137
  333   3HD1  ILE  46          3HD1      ILE  46   8.991   6.978  -1.245
  334    HA   PRO  47           HA       PRO  47  15.594   3.982   0.984
  335   1HB   PRO  47          1HB       PRO  47  15.040   2.805  -1.734
  336   2HB   PRO  47          2HB       PRO  47  16.190   2.254  -0.487
  337   1HG   PRO  47          1HG       PRO  47  13.847   0.957  -0.855
  338   2HG   PRO  47          2HG       PRO  47  14.428   1.302   0.798
  339   1HD   PRO  47          1HD       PRO  47  12.335   2.847  -0.741
  340   2HD   PRO  47          2HD       PRO  47  12.331   2.263   0.947
  341    H    ALA  48           H        ALA  48  16.511   5.946   0.593
  342    HA   ALA  48           HA       ALA  48  15.585   7.941  -1.121
  343   1HB   ALA  48          1HB       ALA  48  18.416   7.476  -0.099
  344   2HB   ALA  48          2HB       ALA  48  17.789   8.988  -0.794
  345   3HB   ALA  48          3HB       ALA  48  17.119   8.369   0.731
  346    H    GLY  49           H        GLY  49  15.296   7.674  -3.236
  347   1HA   GLY  49          1HA       GLY  49  16.792   7.816  -5.349
  348   2HA   GLY  49          2HA       GLY  49  17.235   6.151  -4.920
  349    H    VAL  50           H        VAL  50  14.546   5.518  -3.767
  350    HA   VAL  50           HA       VAL  50  13.298   4.730  -6.287
  351    HB   VAL  50           HB       VAL  50  12.371   4.382  -3.407
  352   1HG1  VAL  50          1HG1      VAL  50  10.934   2.596  -4.411
  353   2HG1  VAL  50          2HG1      VAL  50  10.491   4.203  -5.009
  354   3HG1  VAL  50          3HG1      VAL  50  11.442   3.106  -6.029
  355   1HG2  VAL  50          1HG2      VAL  50  13.215   2.099  -3.642
  356   2HG2  VAL  50          2HG2      VAL  50  13.748   2.424  -5.306
  357   3HG2  VAL  50          3HG2      VAL  50  14.544   3.228  -3.941
  358    H    ASP  51           H        ASP  51  12.321   6.319  -7.422
  359    HA   ASP  51           HA       ASP  51  11.334   8.747  -6.425
  360   1HB   ASP  51          1HB       ASP  51  11.878   8.416  -8.774
  361   2HB   ASP  51          2HB       ASP  51  10.589   7.210  -8.939
  362    H    ALA  52           H        ALA  52   9.807   8.890  -4.890
  363    HA   ALA  52           HA       ALA  52   7.833   7.102  -4.168
  364   1HB   ALA  52          1HB       ALA  52   8.470   9.043  -2.822
  365   2HB   ALA  52          2HB       ALA  52   7.631  10.119  -3.966
  366   3HB   ALA  52          3HB       ALA  52   6.715   8.903  -3.037
  367    H    VAL  53           H        VAL  53   7.677   9.620  -6.716
  368    HA   VAL  53           HA       VAL  53   4.893   9.486  -7.195
  369    HB   VAL  53           HB       VAL  53   7.123  10.136  -9.162
  370   1HG1  VAL  53          1HG1      VAL  53   5.030   9.815 -10.370
  371   2HG1  VAL  53          2HG1      VAL  53   4.156  10.822  -9.193
  372   3HG1  VAL  53          3HG1      VAL  53   5.376  11.540 -10.264
  373   1HG2  VAL  53          1HG2      VAL  53   7.264  11.578  -7.145
  374   2HG2  VAL  53          2HG2      VAL  53   6.656  12.498  -8.520
  375   3HG2  VAL  53          3HG2      VAL  53   5.527  11.930  -7.274
  376    H    LYS  54           H        LYS  54   7.441   7.196  -8.108
  377    HA   LYS  54           HA       LYS  54   5.736   5.920 -10.151
  378   1HB   LYS  54          1HB       LYS  54   8.439   5.202  -8.962
  379   2HB   LYS  54          2HB       LYS  54   7.622   4.243 -10.196
  380   1HG   LYS  54          1HG       LYS  54   8.246   7.196 -10.592
  381   2HG   LYS  54          2HG       LYS  54   9.386   5.909 -11.004
  382   1HD   LYS  54          1HD       LYS  54   7.702   4.884 -12.520
  383   2HD   LYS  54          2HD       LYS  54   6.578   6.208 -12.183
  384   1HE   LYS  54          1HE       LYS  54   9.345   6.528 -13.430
  385   2HE   LYS  54          2HE       LYS  54   7.806   6.527 -14.306
  386   1HZ   LYS  54          1HZ       LYS  54   8.605   8.477 -12.259
  387   2HZ   LYS  54          2HZ       LYS  54   8.528   8.734 -13.884
  388   3HZ   LYS  54          3HZ       LYS  54   7.149   8.446 -13.033
  389    H    ILE  55           H        ILE  55   6.787   5.260  -6.806
  390    HA   ILE  55           HA       ILE  55   5.359   2.700  -6.730
  391    HB   ILE  55           HB       ILE  55   5.861   2.666  -4.388
  392   1HG1  ILE  55          1HG1      ILE  55   7.650   5.065  -5.015
  393   2HG1  ILE  55          2HG1      ILE  55   6.182   5.131  -4.004
  394   1HG2  ILE  55          1HG2      ILE  55   7.200   1.562  -6.190
  395   2HG2  ILE  55          2HG2      ILE  55   8.269   2.983  -6.213
  396   3HG2  ILE  55          3HG2      ILE  55   8.132   1.968  -4.758
  397   1HD1  ILE  55          1HD1      ILE  55   7.950   4.866  -2.484
  398   2HD1  ILE  55          2HD1      ILE  55   7.211   3.243  -2.663
  399   3HD1  ILE  55          3HD1      ILE  55   8.738   3.631  -3.484
  400    H    SER  56           H        SER  56   4.757   5.961  -5.358
  401    HA   SER  56           HA       SER  56   2.368   5.185  -3.973
  402   1HB   SER  56          1HB       SER  56   3.458   7.890  -4.791
  403   2HB   SER  56          2HB       SER  56   2.142   7.638  -3.654
  404    HG   SER  56           HG       SER  56   4.358   7.860  -2.731
  405    H    MET  57           H        MET  57   0.342   5.016  -4.655
  406    HA   MET  57           HA       MET  57  -0.439   5.566  -7.368
  407   1HB   MET  57          1HB       MET  57  -1.954   5.128  -4.758
  408   2HB   MET  57          2HB       MET  57  -2.794   5.366  -6.291
  409   1HG   MET  57          1HG       MET  57  -0.757   3.159  -5.756
  410   2HG   MET  57          2HG       MET  57  -2.504   2.951  -5.643
  411   1HE   MET  57          1HE       MET  57  -3.679   3.202  -9.345
  412   2HE   MET  57          2HE       MET  57  -3.600   4.585  -8.239
  413   3HE   MET  57          3HE       MET  57  -4.166   3.001  -7.646
  414    HA   PRO  58           HA       PRO  58  -0.667  10.008  -6.697
  415   1HB   PRO  58          1HB       PRO  58  -2.481  10.758  -8.680
  416   2HB   PRO  58          2HB       PRO  58  -0.737  10.466  -8.895
  417   1HG   PRO  58          1HG       PRO  58  -3.027   8.574  -9.400
  418   2HG   PRO  58          2HG       PRO  58  -1.609   8.859 -10.447
  419   1HD   PRO  58          1HD       PRO  58  -1.791   6.710  -8.792
  420   2HD   PRO  58          2HD       PRO  58  -0.221   7.543  -9.014
  421    H    GLU  59           H        GLU  59  -1.665  10.666  -4.976
  422    HA   GLU  59           HA       GLU  59  -3.553   9.729  -3.451
  423   1HB   GLU  59          1HB       GLU  59  -3.352  12.743  -3.905
  424   2HB   GLU  59          2HB       GLU  59  -3.900  11.900  -2.456
  425   1HG   GLU  59          1HG       GLU  59  -1.761  12.384  -1.810
  426   2HG   GLU  59          2HG       GLU  59  -1.487  10.792  -2.517
  427    H    GLU  60           H        GLU  60  -4.485  11.941  -6.034
  428    HA   GLU  60           HA       GLU  60  -7.228  12.125  -5.391
  429   1HB   GLU  60          1HB       GLU  60  -5.876  13.644  -6.849
  430   2HB   GLU  60          2HB       GLU  60  -5.897  12.421  -8.127
  431   1HG   GLU  60          1HG       GLU  60  -8.389  13.679  -6.874
  432   2HG   GLU  60          2HG       GLU  60  -7.577  14.325  -8.306
  433    H    GLU  61           H        GLU  61  -5.463   9.745  -7.352
  434    HA   GLU  61           HA       GLU  61  -7.928   8.506  -8.331
  435   1HB   GLU  61          1HB       GLU  61  -5.000   7.744  -8.580
  436   2HB   GLU  61          2HB       GLU  61  -6.346   6.926  -9.367
  437   1HG   GLU  61          1HG       GLU  61  -6.979   9.014 -10.555
  438   2HG   GLU  61          2HG       GLU  61  -5.637   9.863  -9.782
  439    H    LEU  62           H        LEU  62  -8.715   6.511  -7.657
  440    HA   LEU  62           HA       LEU  62  -7.352   4.995  -5.618
  441   1HB   LEU  62          1HB       LEU  62  -9.372   5.289  -3.998
  442   2HB   LEU  62          2HB       LEU  62  -7.958   6.326  -3.986
  443    HG   LEU  62           HG       LEU  62  -9.200   8.058  -5.330
  444   1HD1  LEU  62          1HD1      LEU  62 -11.580   6.231  -4.776
  445   2HD1  LEU  62          2HD1      LEU  62 -11.684   7.924  -5.299
  446   3HD1  LEU  62          3HD1      LEU  62 -10.965   6.717  -6.369
  447   1HD2  LEU  62          1HD2      LEU  62  -8.836   8.118  -2.946
  448   2HD2  LEU  62          2HD2      LEU  62 -10.380   8.875  -3.402
  449   3HD2  LEU  62          3HD2      LEU  62 -10.365   7.251  -2.673
  450    H    LEU  63           H        LEU  63  -8.215   3.046  -5.146
  451    HA   LEU  63           HA       LEU  63  -9.837   1.777  -7.200
  452   1HB   LEU  63          1HB       LEU  63  -8.742   0.729  -4.565
  453   2HB   LEU  63          2HB       LEU  63  -9.329  -0.228  -5.927
  454    HG   LEU  63           HG       LEU  63  -6.815   1.506  -5.843
  455   1HD1  LEU  63          1HD1      LEU  63  -5.695  -0.716  -5.888
  456   2HD1  LEU  63          2HD1      LEU  63  -6.708  -0.504  -4.447
  457   3HD1  LEU  63          3HD1      LEU  63  -7.284  -1.501  -5.801
  458   1HD2  LEU  63          1HD2      LEU  63  -7.774  -0.393  -8.026
  459   2HD2  LEU  63          2HD2      LEU  63  -7.702   1.379  -8.169
  460   3HD2  LEU  63          3HD2      LEU  63  -6.215   0.428  -7.974
  461    H    ASN  64           H        ASN  64 -12.041   2.325  -7.006
  462    HA   ASN  64           HA       ASN  64 -13.272   2.404  -4.282
  463   1HB   ASN  64          1HB       ASN  64 -13.231   4.551  -5.592
  464   2HB   ASN  64          2HB       ASN  64 -14.241   3.766  -6.813
  465   1HD2  ASN  64          1HD2      ASN  64 -16.963   5.139  -4.959
  466   2HD2  ASN  64          2HD2      ASN  64 -16.032   5.218  -6.444
  467    H    ALA  65           H        ALA  65 -12.910  -0.123  -5.490
  468    HA   ALA  65           HA       ALA  65 -15.666  -1.043  -5.470
  469   1HB   ALA  65          1HB       ALA  65 -15.300  -0.446  -7.890
  470   2HB   ALA  65          2HB       ALA  65 -13.889  -1.522  -7.916
  471   3HB   ALA  65          3HB       ALA  65 -15.500  -2.188  -7.674
  472    HA   PRO  66           HA       PRO  66 -13.298  -4.330  -3.599
  473   1HB   PRO  66          1HB       PRO  66 -14.787  -6.576  -3.921
  474   2HB   PRO  66          2HB       PRO  66 -15.336  -5.220  -2.907
  475   1HG   PRO  66          1HG       PRO  66 -16.084  -5.795  -5.788
  476   2HG   PRO  66          2HG       PRO  66 -17.187  -5.431  -4.429
  477   1HD   PRO  66          1HD       PRO  66 -16.372  -3.532  -6.199
  478   2HD   PRO  66          2HD       PRO  66 -16.616  -3.136  -4.483
  479    H    GLY  67           H        GLY  67 -12.115  -6.382  -4.145
  480   1HA   GLY  67          1HA       GLY  67 -11.120  -7.918  -5.545
  481   2HA   GLY  67          2HA       GLY  67 -12.119  -7.373  -6.890
  482    H    GLU  68           H        GLU  68 -11.339  -4.627  -6.965
  483    HA   GLU  68           HA       GLU  68  -9.263  -4.545  -8.725
  484   1HB   GLU  68          1HB       GLU  68  -9.837  -2.444  -6.595
  485   2HB   GLU  68          2HB       GLU  68  -8.946  -2.206  -8.112
  486   1HG   GLU  68          1HG       GLU  68 -11.000  -2.819  -9.395
  487   2HG   GLU  68          2HG       GLU  68 -11.902  -2.901  -7.870
  488    H    THR  69           H        THR  69  -7.035  -4.703  -8.737
  489    HA   THR  69           HA       THR  69  -5.614  -4.886  -6.125
  490    HB   THR  69           HB       THR  69  -4.013  -6.302  -7.529
  491    HG1  THR  69           HG1      THR  69  -4.914  -5.508  -9.523
  492   1HG2  THR  69          1HG2      THR  69  -6.825  -7.407  -7.258
  493   2HG2  THR  69          2HG2      THR  69  -5.322  -8.339  -7.399
  494   3HG2  THR  69          3HG2      THR  69  -5.598  -7.322  -5.969
  495    OH   TYR  70           OH       TYR  70   2.506   0.777  -5.282
  496    H    TYR  70           H        TYR  70  -4.091  -3.444  -5.745
  497    HA   TYR  70           HA       TYR  70  -2.760  -1.972  -7.997
  498   1HB   TYR  70          1HB       TYR  70  -3.470  -0.375  -6.444
  499   2HB   TYR  70          2HB       TYR  70  -3.181  -1.414  -5.066
  500    HD1  TYR  70           HD1      TYR  70  -1.057  -0.154  -7.953
  501    HD2  TYR  70           HD2      TYR  70  -1.515  -0.514  -3.678
  502    HE1  TYR  70           HE1      TYR  70   1.261   0.649  -7.625
  503    HE2  TYR  70           HE2      TYR  70   0.857   0.117  -3.381
  504    HH   TYR  70           HH       TYR  70   2.772   1.543  -5.806
  505    H    VAL  71           H        VAL  71  -1.125  -3.263  -8.724
  506    HA   VAL  71           HA       VAL  71   0.322  -4.999  -6.818
  507    HB   VAL  71           HB       VAL  71   0.352  -4.987  -9.855
  508   1HG1  VAL  71          1HG1      VAL  71   1.415  -6.957  -7.779
  509   2HG1  VAL  71          2HG1      VAL  71   1.315  -7.283  -9.521
  510   3HG1  VAL  71          3HG1      VAL  71   2.381  -6.006  -8.926
  511   1HG2  VAL  71          1HG2      VAL  71  -1.202  -6.719  -7.888
  512   2HG2  VAL  71          2HG2      VAL  71  -1.897  -5.589  -9.067
  513   3HG2  VAL  71          3HG2      VAL  71  -1.057  -7.038  -9.626
  514    H    VAL  72           H        VAL  72   2.551  -4.741  -6.428
  515    HA   VAL  72           HA       VAL  72   4.090  -2.926  -8.137
  516    HB   VAL  72           HB       VAL  72   3.040  -1.397  -6.572
  517   1HG1  VAL  72          1HG1      VAL  72   3.564  -1.391  -4.178
  518   2HG1  VAL  72          2HG1      VAL  72   2.741  -2.896  -4.624
  519   3HG1  VAL  72          3HG1      VAL  72   4.497  -2.880  -4.338
  520   1HG2  VAL  72          1HG2      VAL  72   5.059  -0.240  -5.804
  521   2HG2  VAL  72          2HG2      VAL  72   6.016  -1.712  -6.054
  522   3HG2  VAL  72          3HG2      VAL  72   5.276  -0.884  -7.441
  523    H    THR  73           H        THR  73   6.178  -3.505  -8.286
  524    HA   THR  73           HA       THR  73   7.099  -5.841  -6.700
  525    HB   THR  73           HB       THR  73   8.168  -4.728  -9.322
  526    HG1  THR  73           HG1      THR  73   6.904  -6.305 -10.276
  527   1HG2  THR  73          1HG2      THR  73   9.123  -7.020  -9.514
  528   2HG2  THR  73          2HG2      THR  73   9.719  -6.209  -8.052
  529   3HG2  THR  73          3HG2      THR  73   8.430  -7.423  -7.929
  530    H    LEU  74           H        LEU  74   8.077  -4.950  -4.860
  531    HA   LEU  74           HA       LEU  74   9.862  -2.589  -5.194
  532   1HB   LEU  74          1HB       LEU  74   9.054  -4.059  -2.676
  533   2HB   LEU  74          2HB       LEU  74  10.030  -2.586  -2.803
  534    HG   LEU  74           HG       LEU  74   7.097  -2.877  -3.571
  535   1HD1  LEU  74          1HD1      LEU  74   6.703  -1.346  -1.711
  536   2HD1  LEU  74          2HD1      LEU  74   7.642  -2.724  -1.111
  537   3HD1  LEU  74          3HD1      LEU  74   8.444  -1.180  -1.424
  538   1HD2  LEU  74          1HD2      LEU  74   8.095  -1.266  -5.128
  539   2HD2  LEU  74          2HD2      LEU  74   7.187  -0.382  -3.899
  540   3HD2  LEU  74          3HD2      LEU  74   8.957  -0.467  -3.799
  541    H    ASP  75           H        ASP  75  11.659  -3.192  -6.224
  542    HA   ASP  75           HA       ASP  75  13.113  -5.637  -5.562
  543   1HB   ASP  75          1HB       ASP  75  13.097  -4.784  -7.841
  544   2HB   ASP  75          2HB       ASP  75  13.857  -3.270  -7.314
  545    H    THR  76           H        THR  76  13.826  -2.114  -5.237
  546    HA   THR  76           HA       THR  76  16.265  -2.458  -3.902
  547    HB   THR  76           HB       THR  76  14.389  -0.072  -3.659
  548    HG1  THR  76           HG1      THR  76  15.261   0.528  -5.696
  549   1HG2  THR  76          1HG2      THR  76  16.493   1.214  -3.767
  550   2HG2  THR  76          2HG2      THR  76  16.545   0.062  -2.420
  551   3HG2  THR  76          3HG2      THR  76  17.425  -0.290  -3.926
  552    H    LYS  77           H        LYS  77  16.614  -3.184  -1.891
  553    HA   LYS  77           HA       LYS  77  14.541  -3.637   0.003
  554   1HB   LYS  77          1HB       LYS  77  16.519  -4.160   1.563
  555   2HB   LYS  77          2HB       LYS  77  16.270  -5.156   0.143
  556   1HG   LYS  77          1HG       LYS  77  18.608  -4.710   0.578
  557   2HG   LYS  77          2HG       LYS  77  18.133  -4.154  -1.019
  558   1HD   LYS  77          1HD       LYS  77  18.074  -1.815  -0.229
  559   2HD   LYS  77          2HD       LYS  77  18.406  -2.337   1.433
  560   1HE   LYS  77          1HE       LYS  77  20.264  -2.679  -0.974
  561   2HE   LYS  77          2HE       LYS  77  20.402  -1.429   0.272
  562   1HZ   LYS  77          1HZ       LYS  77  20.647  -4.321   0.714
  563   2HZ   LYS  77          2HZ       LYS  77  21.865  -3.216   0.721
  564   3HZ   LYS  77          3HZ       LYS  77  20.708  -3.169   1.893
  565    H    GLY  78           H        GLY  78  14.507  -2.930   2.220
  566   1HA   GLY  78          1HA       GLY  78  15.400  -1.131   3.762
  567   2HA   GLY  78          2HA       GLY  78  14.920   0.027   2.519
  568    H    THR  79           H        THR  79  13.736   0.617   4.708
  569    HA   THR  79           HA       THR  79  11.209  -0.846   5.084
  570    HB   THR  79           HB       THR  79  12.321   1.487   6.674
  571    HG1  THR  79           HG1      THR  79  13.163  -0.181   8.017
  572   1HG2  THR  79          1HG2      THR  79  10.907   0.524   8.450
  573   2HG2  THR  79          2HG2      THR  79   9.925   0.868   7.008
  574   3HG2  THR  79          3HG2      THR  79  10.415  -0.803   7.374
  575    OH   TYR  80           OH       TYR  80  11.808  -0.103  -2.638
  576    H    TYR  80           H        TYR  80   9.561  -0.218   3.847
  577    HA   TYR  80           HA       TYR  80   9.341   2.596   2.869
  578   1HB   TYR  80          1HB       TYR  80   8.100  -0.008   1.977
  579   2HB   TYR  80          2HB       TYR  80   7.601   1.564   1.386
  580    HD1  TYR  80           HD2      TYR  80  10.717  -0.517   1.739
  581    HD2  TYR  80           HD1      TYR  80   8.402   2.179  -0.699
  582    HE1  TYR  80           HE2      TYR  80  12.208  -0.958  -0.157
  583    HE2  TYR  80           HE1      TYR  80   9.824   1.626  -2.639
  584    HH   TYR  80           HH       TYR  80  12.442  -0.795  -2.416
  585    H    SER  81           H        SER  81   8.097   3.804   4.276
  586    HA   SER  81           HA       SER  81   5.864   2.504   5.775
  587   1HB   SER  81          1HB       SER  81   6.737   5.398   5.795
  588   2HB   SER  81          2HB       SER  81   5.662   4.583   6.938
  589    HG   SER  81           HG       SER  81   8.383   3.887   6.466
  590    H    PHE  82           H        PHE  82   3.636   2.781   5.205
  591    HA   PHE  82           HA       PHE  82   3.070   4.690   3.035
  592   1HB   PHE  82          1HB       PHE  82   1.886   2.994   1.715
  593   2HB   PHE  82          2HB       PHE  82   3.579   2.661   1.847
  594    HD1  PHE  82           HD1      PHE  82   0.208   1.757   3.181
  595    HD2  PHE  82           HD2      PHE  82   4.313   0.412   2.722
  596    HE1  PHE  82           HE1      PHE  82  -0.368  -0.419   4.163
  597    HE2  PHE  82           HE2      PHE  82   3.676  -1.751   3.682
  598    HZ   PHE  82           HZ       PHE  82   1.348  -2.180   4.418
  599    OH   TYR  83           OH       TYR  83   0.970  10.927   1.882
  600    H    TYR  83           H        TYR  83   0.800   4.816   2.480
  601    HA   TYR  83           HA       TYR  83  -1.108   4.156   4.590
  602   1HB   TYR  83          1HB       TYR  83  -1.718   6.496   5.062
  603   2HB   TYR  83          2HB       TYR  83  -0.051   6.163   5.522
  604    HD1  TYR  83           HD2      TYR  83  -2.220   7.930   3.083
  605    HD2  TYR  83           HD1      TYR  83   1.835   7.203   4.348
  606    HE1  TYR  83           HE2      TYR  83  -1.481   9.968   1.885
  607    HE2  TYR  83           HE1      TYR  83   2.575   9.230   3.145
  608    HH   TYR  83           HH       TYR  83   1.913  11.086   1.940
  609    H    CYS  84           H        CYS  84  -3.295   4.783   4.137
  610    HA   CYS  84           HA       CYS  84  -3.866   4.891   1.187
  611   1HB   CYS  84          1HB       CYS  84  -4.872   2.922   2.130
  612   2HB   CYS  84          2HB       CYS  84  -5.325   3.799   3.596
  613    H    SER  85           H        SER  85  -3.886   6.992   0.700
  614    HA   SER  85           HA       SER  85  -4.253   9.104   2.162
  615   1HB   SER  85          1HB       SER  85  -5.555   9.360  -0.521
  616   2HB   SER  85          2HB       SER  85  -4.352  10.353   0.295
  617    HG   SER  85           HG       SER  85  -3.999   7.835  -0.979
  618    HA   PRO  86           HA       PRO  86  -8.982   9.726   1.795
  619   1HB   PRO  86          1HB       PRO  86 -10.639   7.586   1.242
  620   2HB   PRO  86          2HB       PRO  86  -9.968   8.697   0.017
  621   1HG   PRO  86          1HG       PRO  86  -8.853   6.031   0.887
  622   2HG   PRO  86          2HG       PRO  86  -9.170   6.567  -0.783
  623   1HD   PRO  86          1HD       PRO  86  -6.692   6.776   0.186
  624   2HD   PRO  86          2HD       PRO  86  -7.393   8.152  -0.705
  625    H    HIS  87           H        HIS  87  -7.317   7.235   3.492
  626    HA   HIS  87           HA       HIS  87  -9.177   7.595   5.789
  627   1HB   HIS  87          1HB       HIS  87  -7.966   4.966   4.910
  628   2HB   HIS  87          2HB       HIS  87  -8.979   5.233   6.334
  629    HD2  HIS  87           HD2      HIS  87 -11.524   6.497   5.531
  630    HE1  HIS  87           HE1      HIS  87 -11.869   3.761   2.308
  631    HE2  HIS  87           HE2      HIS  87 -13.124   5.387   3.784
  632    H    GLN  88           H        GLN  88  -6.260   8.510   4.759
  633    HA   GLN  88           HA       GLN  88  -4.489   7.349   6.638
  634   1HB   GLN  88          1HB       GLN  88  -2.990   9.062   6.057
  635   2HB   GLN  88          2HB       GLN  88  -3.867   8.593   4.605
  636   1HG   GLN  88          1HG       GLN  88  -5.344  10.654   4.962
  637   2HG   GLN  88          2HG       GLN  88  -4.217  11.148   6.231
  638   1HE2  GLN  88          1HE2      GLN  88  -1.501  11.762   3.900
  639   2HE2  GLN  88          2HE2      GLN  88  -1.790  11.127   5.509
  640    H    GLY  89           H        GLY  89  -6.668  10.145   6.817
  641   1HA   GLY  89          1HA       GLY  89  -5.969  11.155   9.363
  642   2HA   GLY  89          2HA       GLY  89  -7.564  11.280   8.597
  643    H    ALA  90           H        ALA  90  -7.866   8.295   8.424
  644    HA   ALA  90           HA       ALA  90  -8.834   7.832  11.174
  645   1HB   ALA  90          1HB       ALA  90 -10.068   5.993  10.168
  646   2HB   ALA  90          2HB       ALA  90 -10.335   7.476   9.232
  647   3HB   ALA  90          3HB       ALA  90  -9.228   6.223   8.622
  648    H    GLY  91           H        GLY  91  -5.837   7.575   9.968
  649   1HA   GLY  91          1HA       GLY  91  -4.048   6.407  10.696
  650   2HA   GLY  91          2HA       GLY  91  -5.082   5.471  11.782
  651    H    MET  92           H        MET  92  -5.877   5.510   8.297
  652    HA   MET  92           HA       MET  92  -5.303   2.647   8.253
  653   1HB   MET  92          1HB       MET  92  -7.248   3.933   7.080
  654   2HB   MET  92          2HB       MET  92  -6.077   4.167   5.773
  655   1HG   MET  92          1HG       MET  92  -5.830   1.448   6.498
  656   2HG   MET  92          2HG       MET  92  -7.547   1.780   6.688
  657   1HE   MET  92          1HE       MET  92  -7.042  -0.411   3.460
  658   2HE   MET  92          2HE       MET  92  -7.863  -0.343   5.034
  659   3HE   MET  92          3HE       MET  92  -6.077  -0.434   4.947
  660    H    VAL  93           H        VAL  93  -3.089   2.798   8.743
  661    HA   VAL  93           HA       VAL  93  -1.292   3.514   6.484
  662    HB   VAL  93           HB       VAL  93   0.371   4.251   8.028
  663   1HG1  VAL  93          1HG1      VAL  93  -0.622   6.273   8.861
  664   2HG1  VAL  93          2HG1      VAL  93  -1.448   5.878   7.344
  665   3HG1  VAL  93          3HG1      VAL  93  -2.242   5.559   8.892
  666   1HG2  VAL  93          1HG2      VAL  93  -1.607   3.568  10.242
  667   2HG2  VAL  93          2HG2      VAL  93  -0.071   2.731   9.915
  668   3HG2  VAL  93          3HG2      VAL  93  -0.063   4.418  10.454
  669    H    GLY  94           H        GLY  94   0.927   2.411   6.707
  670   1HA   GLY  94          1HA       GLY  94   1.054  -0.101   8.083
  671   2HA   GLY  94          2HA       GLY  94   0.717  -0.329   6.371
  672    H    LYS  95           H        LYS  95   3.076  -1.362   6.958
  673    HA   LYS  95           HA       LYS  95   5.032   0.423   5.780
  674   1HB   LYS  95          1HB       LYS  95   5.061   1.085   8.187
  675   2HB   LYS  95          2HB       LYS  95   5.395  -0.596   8.627
  676   1HG   LYS  95          1HG       LYS  95   7.602  -0.499   7.656
  677   2HG   LYS  95          2HG       LYS  95   7.239   1.026   6.837
  678   1HD   LYS  95          1HD       LYS  95   8.602   1.515   8.785
  679   2HD   LYS  95          2HD       LYS  95   6.992   2.184   9.012
  680   1HE   LYS  95          1HE       LYS  95   6.384   0.311  10.500
  681   2HE   LYS  95          2HE       LYS  95   7.938  -0.485  10.171
  682   1HZ   LYS  95          1HZ       LYS  95   9.023   1.384  11.184
  683   2HZ   LYS  95          2HZ       LYS  95   7.578   2.123  11.472
  684   3HZ   LYS  95          3HZ       LYS  95   7.946   0.706  12.229
  685    H    VAL  96           H        VAL  96   6.399  -0.799   4.540
  686    HA   VAL  96           HA       VAL  96   6.416  -3.733   5.088
  687    HB   VAL  96           HB       VAL  96   5.080  -3.373   3.223
  688   1HG1  VAL  96          1HG1      VAL  96   5.692  -2.298   1.160
  689   2HG1  VAL  96          2HG1      VAL  96   6.016  -1.118   2.436
  690   3HG1  VAL  96          3HG1      VAL  96   7.353  -2.042   1.710
  691   1HG2  VAL  96          1HG2      VAL  96   7.764  -4.329   2.218
  692   2HG2  VAL  96          2HG2      VAL  96   6.624  -5.287   3.199
  693   3HG2  VAL  96          3HG2      VAL  96   6.155  -4.716   1.581
  694    H    THR  97           H        THR  97   8.261  -4.614   5.401
  695    HA   THR  97           HA       THR  97  10.772  -3.077   5.059
  696    HB   THR  97           HB       THR  97  10.600  -5.767   6.409
  697    HG1  THR  97           HG1      THR  97   8.911  -4.602   7.319
  698   1HG2  THR  97          1HG2      THR  97  12.354  -4.788   7.793
  699   2HG2  THR  97          2HG2      THR  97  12.795  -4.656   6.079
  700   3HG2  THR  97          3HG2      THR  97  12.192  -3.230   6.956
  701    H    VAL  98           H        VAL  98  11.349  -3.221   2.896
  702    HA   VAL  98           HA       VAL  98  10.993  -5.722   1.439
  703    HB   VAL  98           HB       VAL  98  12.327  -3.128   0.632
  704   1HG1  VAL  98          1HG1      VAL  98  12.014  -3.974  -1.657
  705   2HG1  VAL  98          2HG1      VAL  98  12.988  -5.135  -0.746
  706   3HG1  VAL  98          3HG1      VAL  98  11.272  -5.465  -1.036
  707   1HG2  VAL  98          1HG2      VAL  98   9.499  -4.188   0.152
  708   2HG2  VAL  98          2HG2      VAL  98   9.917  -2.813   1.190
  709   3HG2  VAL  98          3HG2      VAL  98  10.188  -2.716  -0.549
  710    H    ASN  99           H        ASN  99  12.387  -7.342   1.788
  711    HA   ASN  99           HA       ASN  99  15.159  -6.785   2.788
  712   1HB   ASN  99          1HB       ASN  99  13.428  -9.288   2.810
  713   2HB   ASN  99          2HB       ASN  99  15.104  -9.206   3.375
  714   1HD2  ASN  99          1HD2      ASN  99  13.003  -8.866   6.395
  715   2HD2  ASN  99          2HD2      ASN  99  13.320 -10.112   5.198
   
  Start of MODEL          13
 Raw file had 715 H/Q atoms
  Start of MODEL   13
    1    H    LEU   1           H        LEU   1   3.714  -9.519  -1.596
    2    HA   LEU   1           HA       LEU   1   2.318 -11.252  -0.757
    3   1HB   LEU   1          1HB       LEU   1   2.348  -9.409   1.642
    4   2HB   LEU   1          2HB       LEU   1   0.977 -10.488   1.475
    5    HG   LEU   1           HG       LEU   1   2.440 -12.455   1.368
    6   1HD1  LEU   1          1HD1      LEU   1   4.535 -11.440   0.528
    7   2HD1  LEU   1          2HD1      LEU   1   4.656 -10.473   2.018
    8   3HD1  LEU   1          3HD1      LEU   1   4.812 -12.240   2.082
    9   1HD2  LEU   1          1HD2      LEU   1   3.029 -12.425   3.766
   10   2HD2  LEU   1          2HD2      LEU   1   2.853 -10.658   3.799
   11   3HD2  LEU   1          3HD2      LEU   1   1.439 -11.691   3.496
   12    H    GLU   2           H        GLU   2  -0.124 -11.388  -0.270
   13    HA   GLU   2           HA       GLU   2  -1.570  -9.503  -2.025
   14   1HB   GLU   2          1HB       GLU   2  -2.284 -12.169  -0.740
   15   2HB   GLU   2          2HB       GLU   2  -3.470 -11.116  -1.539
   16   1HG   GLU   2          1HG       GLU   2  -2.111 -11.038  -3.569
   17   2HG   GLU   2          2HG       GLU   2  -0.906 -12.115  -2.851
   18    H    VAL   3           H        VAL   3  -1.528  -7.712  -0.888
   19    HA   VAL   3           HA       VAL   3  -2.332  -7.666   1.957
   20    HB   VAL   3           HB       VAL   3  -1.582  -5.338   0.170
   21   1HG1  VAL   3          1HG1      VAL   3  -1.133  -4.227   2.375
   22   2HG1  VAL   3          2HG1      VAL   3  -2.840  -4.665   2.187
   23   3HG1  VAL   3          3HG1      VAL   3  -1.772  -5.655   3.202
   24   1HG2  VAL   3          1HG2      VAL   3   0.322  -6.882   0.305
   25   2HG2  VAL   3          2HG2      VAL   3   0.615  -5.415   1.238
   26   3HG2  VAL   3          3HG2      VAL   3   0.190  -6.920   2.074
   27    H    LEU   4           H        LEU   4  -4.436  -7.521   2.535
   28    HA   LEU   4           HA       LEU   4  -6.435  -6.684   0.515
   29   1HB   LEU   4          1HB       LEU   4  -6.803  -7.608   3.376
   30   2HB   LEU   4          2HB       LEU   4  -8.056  -7.388   2.176
   31    HG   LEU   4           HG       LEU   4  -5.842  -9.484   2.153
   32   1HD1  LEU   4          1HD1      LEU   4  -7.733 -11.048   2.376
   33   2HD1  LEU   4          2HD1      LEU   4  -7.737  -9.876   3.706
   34   3HD1  LEU   4          3HD1      LEU   4  -8.881  -9.692   2.357
   35   1HD2  LEU   4          1HD2      LEU   4  -7.984  -8.894   0.062
   36   2HD2  LEU   4          2HD2      LEU   4  -6.220  -8.848  -0.172
   37   3HD2  LEU   4          3HD2      LEU   4  -7.025 -10.390   0.130
   38    H    LEU   5           H        LEU   5  -7.018  -4.492   0.337
   39    HA   LEU   5           HA       LEU   5  -6.434  -2.680   2.563
   40   1HB   LEU   5          1HB       LEU   5  -8.154  -2.198   0.097
   41   2HB   LEU   5          2HB       LEU   5  -7.627  -1.050   1.329
   42    HG   LEU   5           HG       LEU   5  -6.266  -0.500  -0.293
   43   1HD1  LEU   5          1HD1      LEU   5  -4.014  -1.169   0.151
   44   2HD1  LEU   5          2HD1      LEU   5  -4.951  -0.991   1.648
   45   3HD1  LEU   5          3HD1      LEU   5  -4.566  -2.623   1.016
   46   1HD2  LEU   5          1HD2      LEU   5  -5.790  -3.272  -1.261
   47   2HD2  LEU   5          2HD2      LEU   5  -6.963  -2.067  -1.908
   48   3HD2  LEU   5          3HD2      LEU   5  -5.239  -1.728  -1.968
   49    H    GLY   6           H        GLY   6  -7.602  -3.214   4.386
   50   1HA   GLY   6          1HA       GLY   6  -9.468  -2.802   5.609
   51   2HA   GLY   6          2HA       GLY   6 -10.559  -3.021   4.240
   52    H    SER   7           H        SER   7 -10.832  -4.295   6.855
   53    HA   SER   7           HA       SER   7 -10.075  -7.092   6.496
   54   1HB   SER   7          1HB       SER   7 -11.208  -7.269   8.700
   55   2HB   SER   7          2HB       SER   7 -10.009  -5.972   8.713
   56    HG   SER   7           HG       SER   7 -12.451  -5.694   9.393
   57    H    GLY   8           H        GLY   8 -11.976  -8.580   6.919
   58   1HA   GLY   8          1HA       GLY   8 -13.801  -8.631   4.777
   59   2HA   GLY   8          2HA       GLY   8 -14.024  -9.533   6.284
   60    H    ASP   9           H        ASP   9 -14.314  -7.439   8.127
   61    HA   ASP   9           HA       ASP   9 -17.051  -6.588   7.576
   62   1HB   ASP   9          1HB       ASP   9 -17.122  -5.895   9.844
   63   2HB   ASP   9          2HB       ASP   9 -16.283  -7.449   9.808
   64    H    GLY  10           H        GLY  10 -14.402  -5.320   6.239
   65   1HA   GLY  10          1HA       GLY  10 -13.966  -3.339   5.296
   66   2HA   GLY  10          2HA       GLY  10 -15.565  -2.764   5.788
   67    H    SER  11           H        SER  11 -13.102  -3.876   8.188
   68    HA   SER  11           HA       SER  11 -13.176  -1.207   9.374
   69   1HB   SER  11          1HB       SER  11 -12.895  -3.204  10.779
   70   2HB   SER  11          2HB       SER  11 -11.286  -3.491  10.058
   71    HG   SER  11           HG       SER  11 -11.251  -2.255  12.032
   72    H    LEU  12           H        LEU  12 -11.481   0.294   9.326
   73    HA   LEU  12           HA       LEU  12 -10.049   0.402   6.805
   74   1HB   LEU  12          1HB       LEU  12 -10.045   2.269   9.214
   75   2HB   LEU  12          2HB       LEU  12  -9.473   2.659   7.593
   76    HG   LEU  12           HG       LEU  12 -12.371   2.014   8.325
   77   1HD1  LEU  12          1HD1      LEU  12 -12.747   4.409   7.865
   78   2HD1  LEU  12          2HD1      LEU  12 -11.637   4.159   9.224
   79   3HD1  LEU  12          3HD1      LEU  12 -11.000   4.638   7.642
   80   1HD2  LEU  12          1HD2      LEU  12 -12.011   1.307   6.053
   81   2HD2  LEU  12          2HD2      LEU  12 -12.814   2.878   5.994
   82   3HD2  LEU  12          3HD2      LEU  12 -11.067   2.767   5.689
   83    H    VAL  13           H        VAL  13  -8.915  -1.658   7.465
   84    HA   VAL  13           HA       VAL  13  -6.233  -0.924   8.568
   85    HB   VAL  13           HB       VAL  13  -6.113  -3.122   9.661
   86   1HG1  VAL  13          1HG1      VAL  13  -6.812  -1.089  10.922
   87   2HG1  VAL  13          2HG1      VAL  13  -8.514  -1.511  10.630
   88   3HG1  VAL  13          3HG1      VAL  13  -7.483  -2.587  11.589
   89   1HG2  VAL  13          1HG2      VAL  13  -7.780  -4.414   8.371
   90   2HG2  VAL  13          2HG2      VAL  13  -8.150  -4.441  10.096
   91   3HG2  VAL  13          3HG2      VAL  13  -9.084  -3.397   9.012
   92    H    PHE  14           H        PHE  14  -4.482  -1.715   7.475
   93    HA   PHE  14           HA       PHE  14  -4.939  -3.087   4.891
   94   1HB   PHE  14          1HB       PHE  14  -2.488  -2.050   6.379
   95   2HB   PHE  14          2HB       PHE  14  -2.358  -3.090   4.981
   96    HD1  PHE  14           HD2      PHE  14  -3.334   0.292   6.119
   97    HD2  PHE  14           HD1      PHE  14  -2.561  -2.276   2.737
   98    HE1  PHE  14           HE2      PHE  14  -2.975   2.261   4.666
   99    HE2  PHE  14           HE1      PHE  14  -2.044  -0.319   1.377
  100    HZ   PHE  14           HZ       PHE  14  -2.418   1.973   2.261
  101    H    VAL  15           H        VAL  15  -4.848  -5.361   4.771
  102    HA   VAL  15           HA       VAL  15  -3.743  -6.791   7.176
  103    HB   VAL  15           HB       VAL  15  -5.929  -7.748   5.338
  104   1HG1  VAL  15          1HG1      VAL  15  -6.239  -9.456   7.082
  105   2HG1  VAL  15          2HG1      VAL  15  -4.611  -9.553   6.401
  106   3HG1  VAL  15          3HG1      VAL  15  -4.862  -8.800   7.991
  107   1HG2  VAL  15          1HG2      VAL  15  -6.801  -5.863   6.601
  108   2HG2  VAL  15          2HG2      VAL  15  -7.414  -7.362   7.303
  109   3HG2  VAL  15          3HG2      VAL  15  -6.087  -6.494   8.105
  110    HA   PRO  16           HA       PRO  16  -1.814  -7.590   7.683
  111   1HB   PRO  16          1HB       PRO  16   0.867  -7.591   7.365
  112   2HB   PRO  16          2HB       PRO  16  -0.098  -9.086   7.258
  113   1HG   PRO  16          1HG       PRO  16   0.849  -7.337   4.961
  114   2HG   PRO  16          2HG       PRO  16   1.067  -9.103   5.140
  115   1HD   PRO  16          1HD       PRO  16  -0.982  -8.056   3.692
  116   2HD   PRO  16          2HD       PRO  16  -1.241  -9.505   4.694
  117    H    SER  17           H        SER  17  -0.607  -5.853   8.803
  118    HA   SER  17           HA       SER  17  -0.820  -3.236   7.486
  119   1HB   SER  17          1HB       SER  17  -0.346  -2.587   9.931
  120   2HB   SER  17          2HB       SER  17  -1.859  -3.468   9.617
  121    HG   SER  17           HG       SER  17  -0.729  -4.419  11.368
  122    H    GLU  18           H        GLU  18   1.434  -4.926   9.598
  123    HA   GLU  18           HA       GLU  18   3.808  -3.661   8.306
  124   1HB   GLU  18          1HB       GLU  18   3.631  -3.190  10.685
  125   2HB   GLU  18          2HB       GLU  18   3.415  -4.911  11.043
  126   1HG   GLU  18          1HG       GLU  18   5.680  -4.201  11.591
  127   2HG   GLU  18          2HG       GLU  18   5.721  -5.395  10.301
  128    H    PHE  19           H        PHE  19   5.322  -5.074   7.308
  129    HA   PHE  19           HA       PHE  19   5.366  -7.888   7.857
  130   1HB   PHE  19          1HB       PHE  19   4.536  -8.788   5.797
  131   2HB   PHE  19          2HB       PHE  19   3.280  -7.851   6.545
  132    HD1  PHE  19           HD1      PHE  19   3.015  -5.321   5.713
  133    HD2  PHE  19           HD2      PHE  19   4.852  -8.539   3.485
  134    HE1  PHE  19           HE1      PHE  19   2.363  -4.245   3.601
  135    HE2  PHE  19           HE2      PHE  19   4.155  -7.450   1.371
  136    HZ   PHE  19           HZ       PHE  19   2.968  -5.271   1.428
  137    H    SER  20           H        SER  20   6.604  -8.950   5.702
  138    HA   SER  20           HA       SER  20   8.847  -7.186   4.990
  139   1HB   SER  20          1HB       SER  20   9.116  -9.967   6.245
  140   2HB   SER  20          2HB       SER  20  10.444  -8.914   5.731
  141    HG   SER  20           HG       SER  20   8.560  -8.273   7.758
  142    H    VAL  21           H        VAL  21   9.919  -7.883   3.038
  143    HA   VAL  21           HA       VAL  21   8.870 -10.274   1.667
  144    HB   VAL  21           HB       VAL  21   8.353  -8.979  -0.370
  145   1HG1  VAL  21          1HG1      VAL  21   6.557  -9.582   1.211
  146   2HG1  VAL  21          2HG1      VAL  21   6.676  -7.948   1.916
  147   3HG1  VAL  21          3HG1      VAL  21   6.201  -8.159   0.219
  148   1HG2  VAL  21          1HG2      VAL  21   9.685  -6.970  -0.092
  149   2HG2  VAL  21          2HG2      VAL  21   7.986  -6.537  -0.272
  150   3HG2  VAL  21          3HG2      VAL  21   8.736  -6.494   1.336
  151    HA   PRO  22           HA       PRO  22  13.079 -10.167   0.229
  152   1HB   PRO  22          1HB       PRO  22  13.015 -11.648  -2.065
  153   2HB   PRO  22          2HB       PRO  22  12.771 -12.370  -0.447
  154   1HG   PRO  22          1HG       PRO  22  10.638 -11.485  -2.417
  155   2HG   PRO  22          2HG       PRO  22  10.759 -13.059  -1.578
  156   1HD   PRO  22          1HD       PRO  22   9.171 -11.076  -0.624
  157   2HD   PRO  22          2HD       PRO  22  10.110 -12.095   0.496
  158    H    SER  23           H        SER  23  14.378  -8.988  -1.235
  159    HA   SER  23           HA       SER  23  13.346  -6.688  -2.486
  160   1HB   SER  23          1HB       SER  23  15.885  -8.235  -3.120
  161   2HB   SER  23          2HB       SER  23  15.565  -6.565  -3.586
  162    HG   SER  23           HG       SER  23  15.606  -7.509  -0.894
  163    H    GLY  24           H        GLY  24  12.072  -6.506  -4.224
  164   1HA   GLY  24          1HA       GLY  24  11.736  -6.737  -6.590
  165   2HA   GLY  24          2HA       GLY  24  12.396  -8.369  -6.553
  166    H    GLU  25           H        GLU  25  10.440  -8.286  -3.816
  167    HA   GLU  25           HA       GLU  25   8.493  -9.910  -5.037
  168   1HB   GLU  25          1HB       GLU  25   9.125  -9.454  -2.492
  169   2HB   GLU  25          2HB       GLU  25   7.730  -8.373  -2.570
  170   1HG   GLU  25          1HG       GLU  25   7.828 -11.375  -3.189
  171   2HG   GLU  25          2HG       GLU  25   7.158 -10.638  -1.731
  172    H    LYS  26           H        LYS  26   6.555  -9.560  -5.946
  173    HA   LYS  26           HA       LYS  26   5.690  -6.850  -6.721
  174   1HB   LYS  26          1HB       LYS  26   4.868  -9.673  -7.528
  175   2HB   LYS  26          2HB       LYS  26   4.176  -8.176  -8.170
  176   1HG   LYS  26          1HG       LYS  26   6.406  -7.481  -8.990
  177   2HG   LYS  26          2HG       LYS  26   7.122  -8.977  -8.364
  178   1HD   LYS  26          1HD       LYS  26   5.632 -10.306  -9.854
  179   2HD   LYS  26          2HD       LYS  26   4.930  -8.801 -10.486
  180   1HE   LYS  26          1HE       LYS  26   7.169  -8.103 -11.313
  181   2HE   LYS  26          2HE       LYS  26   7.874  -9.605 -10.682
  182   1HZ   LYS  26          1HZ       LYS  26   6.450 -10.822 -12.161
  183   2HZ   LYS  26          2HZ       LYS  26   5.792  -9.428 -12.747
  184   3HZ   LYS  26          3HZ       LYS  26   7.386  -9.759 -13.002
  185    H    ILE  27           H        ILE  27   4.832  -6.052  -4.763
  186    HA   ILE  27           HA       ILE  27   3.084  -7.708  -3.110
  187    HB   ILE  27           HB       ILE  27   3.475  -4.696  -3.117
  188   1HG1  ILE  27          1HG1      ILE  27   4.891  -6.837  -1.452
  189   2HG1  ILE  27          2HG1      ILE  27   5.631  -5.938  -2.783
  190   1HG2  ILE  27          1HG2      ILE  27   2.452  -6.551  -0.923
  191   2HG2  ILE  27          2HG2      ILE  27   2.595  -4.784  -0.829
  192   3HG2  ILE  27          3HG2      ILE  27   1.421  -5.496  -1.912
  193   1HD1  ILE  27          1HD1      ILE  27   6.336  -4.914  -0.772
  194   2HD1  ILE  27          2HD1      ILE  27   5.201  -3.802  -1.568
  195   3HD1  ILE  27          3HD1      ILE  27   4.689  -4.755  -0.159
  196    H    VAL  28           H        VAL  28   0.856  -7.755  -3.173
  197    HA   VAL  28           HA       VAL  28  -0.520  -6.317  -5.422
  198    HB   VAL  28           HB       VAL  28  -1.086  -9.041  -4.202
  199   1HG1  VAL  28          1HG1      VAL  28  -2.735  -9.252  -6.047
  200   2HG1  VAL  28          2HG1      VAL  28  -3.167  -7.936  -4.951
  201   3HG1  VAL  28          3HG1      VAL  28  -2.419  -7.572  -6.519
  202   1HG2  VAL  28          1HG2      VAL  28   0.909  -9.135  -5.618
  203   2HG2  VAL  28          2HG2      VAL  28  -0.450  -9.936  -6.408
  204   3HG2  VAL  28          3HG2      VAL  28   0.040  -8.314  -6.930
  205    H    PHE  29           H        PHE  29  -1.385  -4.558  -4.378
  206    HA   PHE  29           HA       PHE  29  -2.719  -4.916  -1.748
  207   1HB   PHE  29          1HB       PHE  29  -2.279  -2.479  -3.460
  208   2HB   PHE  29          2HB       PHE  29  -3.102  -2.496  -1.912
  209    HD1  PHE  29           HD2      PHE  29  -1.883  -2.880   0.193
  210    HD2  PHE  29           HD1      PHE  29   0.138  -2.603  -3.600
  211    HE1  PHE  29           HE2      PHE  29   0.246  -2.359   1.373
  212    HE2  PHE  29           HE1      PHE  29   2.292  -2.182  -2.392
  213    HZ   PHE  29           HZ       PHE  29   2.331  -2.013   0.066
  214    H    LYS  30           H        LYS  30  -4.626  -6.029  -2.040
  215    HA   LYS  30           HA       LYS  30  -6.363  -5.402  -4.360
  216   1HB   LYS  30          1HB       LYS  30  -5.620  -7.717  -3.950
  217   2HB   LYS  30          2HB       LYS  30  -6.480  -7.709  -2.402
  218   1HG   LYS  30          1HG       LYS  30  -8.627  -7.513  -3.503
  219   2HG   LYS  30          2HG       LYS  30  -7.870  -7.066  -5.034
  220   1HD   LYS  30          1HD       LYS  30  -8.678  -9.364  -5.136
  221   2HD   LYS  30          2HD       LYS  30  -6.928  -9.288  -5.329
  222   1HE   LYS  30          1HE       LYS  30  -7.558 -11.171  -3.899
  223   2HE   LYS  30          2HE       LYS  30  -6.609 -10.003  -2.974
  224   1HZ   LYS  30          1HZ       LYS  30  -8.667  -9.156  -2.076
  225   2HZ   LYS  30          2HZ       LYS  30  -9.543 -10.245  -2.950
  226   3HZ   LYS  30          3HZ       LYS  30  -8.517 -10.766  -1.771
  227    H    ASN  31           H        ASN  31  -8.234  -4.316  -4.177
  228    HA   ASN  31           HA       ASN  31  -9.081  -3.146  -1.697
  229   1HB   ASN  31          1HB       ASN  31  -9.589  -2.127  -3.878
  230   2HB   ASN  31          2HB       ASN  31 -10.566  -3.520  -4.344
  231   1HD2  ASN  31          1HD2      ASN  31 -13.159  -1.243  -3.258
  232   2HD2  ASN  31          2HD2      ASN  31 -12.229  -1.776  -4.651
  233    H    ASN  32           H        ASN  32 -10.043  -4.245  -0.019
  234    HA   ASN  32           HA       ASN  32 -11.607  -6.707  -0.614
  235   1HB   ASN  32          1HB       ASN  32  -9.793  -6.840   0.965
  236   2HB   ASN  32          2HB       ASN  32 -10.500  -5.586   1.979
  237   1HD2  ASN  32          1HD2      ASN  32 -11.687  -8.411   3.796
  238   2HD2  ASN  32          2HD2      ASN  32 -10.414  -7.185   3.698
  239    H    ALA  33           H        ALA  33 -11.923  -4.157   1.839
  240    HA   ALA  33           HA       ALA  33 -14.630  -3.391   1.027
  241   1HB   ALA  33          1HB       ALA  33 -15.105  -5.507   2.217
  242   2HB   ALA  33          2HB       ALA  33 -14.115  -4.980   3.584
  243   3HB   ALA  33          3HB       ALA  33 -15.634  -4.136   3.209
  244    H    GLY  34           H        GLY  34 -15.452  -1.734   2.793
  245   1HA   GLY  34          1HA       GLY  34 -15.053   0.138   4.085
  246   2HA   GLY  34          2HA       GLY  34 -13.476  -0.525   4.531
  247    H    PHE  35           H        PHE  35 -14.126  -0.284   1.158
  248    HA   PHE  35           HA       PHE  35 -12.009   1.611   0.574
  249   1HB   PHE  35          1HB       PHE  35 -12.548   0.953  -1.720
  250   2HB   PHE  35          2HB       PHE  35 -12.415  -0.337  -0.599
  251    HD1  PHE  35           HD2      PHE  35 -15.143   1.898  -1.904
  252    HD2  PHE  35           HD1      PHE  35 -13.840  -2.105  -0.946
  253    HE1  PHE  35           HE2      PHE  35 -17.397   0.993  -2.508
  254    HE2  PHE  35           HE1      PHE  35 -16.080  -2.980  -1.471
  255    HZ   PHE  35           HZ       PHE  35 -17.841  -1.458  -2.315
  256    HA   PRO  36           HA       PRO  36 -12.410   2.933  -1.928
  257   1HB   PRO  36          1HB       PRO  36 -11.856   5.819  -1.510
  258   2HB   PRO  36          2HB       PRO  36 -12.148   4.975  -3.057
  259   1HG   PRO  36          1HG       PRO  36 -14.072   6.541  -1.940
  260   2HG   PRO  36          2HG       PRO  36 -14.522   4.937  -2.595
  261   1HD   PRO  36          1HD       PRO  36 -13.899   5.630   0.297
  262   2HD   PRO  36          2HD       PRO  36 -15.315   4.770  -0.368
  263    H    HIS  37           H        HIS  37 -10.154   2.821  -2.239
  264    HA   HIS  37           HA       HIS  37  -8.430   3.681  -0.011
  265   1HB   HIS  37          1HB       HIS  37  -8.649   0.877  -1.162
  266   2HB   HIS  37          2HB       HIS  37  -7.384   1.305  -0.050
  267    HD2  HIS  37           HD2      HIS  37 -10.124  -0.756  -0.067
  268    HE1  HIS  37           HE1      HIS  37 -10.434   0.801   3.860
  269    HE2  HIS  37           HE2      HIS  37 -11.008  -1.163   2.335
  270    H    ASN  38           H        ASN  38  -6.084   3.271  -0.589
  271    HA   ASN  38           HA       ASN  38  -5.263   2.784  -3.208
  272   1HB   ASN  38          1HB       ASN  38  -4.517   4.915  -3.967
  273   2HB   ASN  38          2HB       ASN  38  -6.224   5.050  -3.652
  274   1HD2  ASN  38          1HD2      ASN  38  -5.091   8.182  -2.339
  275   2HD2  ASN  38          2HD2      ASN  38  -5.564   7.394  -3.840
  276    H    VAL  39           H        VAL  39  -2.692   3.582  -3.085
  277    HA   VAL  39           HA       VAL  39  -1.787   3.182  -0.276
  278    HB   VAL  39           HB       VAL  39  -0.757   1.587  -2.660
  279   1HG1  VAL  39          1HG1      VAL  39  -0.157   1.436   0.334
  280   2HG1  VAL  39          2HG1      VAL  39   0.503   0.374  -0.923
  281   3HG1  VAL  39          3HG1      VAL  39   0.943   2.082  -0.903
  282   1HG2  VAL  39          1HG2      VAL  39  -2.929   0.684  -2.136
  283   2HG2  VAL  39          2HG2      VAL  39  -1.751  -0.342  -1.319
  284   3HG2  VAL  39          3HG2      VAL  39  -2.653   0.857  -0.390
  285    H    VAL  40           H        VAL  40  -0.666   4.961   0.137
  286    HA   VAL  40           HA       VAL  40   1.045   6.155  -1.992
  287    HB   VAL  40           HB       VAL  40  -0.356   7.494   0.355
  288   1HG1  VAL  40          1HG1      VAL  40   1.232   8.667  -1.980
  289   2HG1  VAL  40          2HG1      VAL  40   0.384   9.596  -0.729
  290   3HG1  VAL  40          3HG1      VAL  40   1.780   8.600  -0.293
  291   1HG2  VAL  40          1HG2      VAL  40  -1.005   7.521  -2.623
  292   2HG2  VAL  40          2HG2      VAL  40  -2.024   6.878  -1.320
  293   3HG2  VAL  40          3HG2      VAL  40  -1.723   8.617  -1.419
  294    H    PHE  41           H        PHE  41   3.184   6.293  -1.473
  295    HA   PHE  41           HA       PHE  41   4.017   5.080   1.103
  296   1HB   PHE  41          1HB       PHE  41   5.393   5.622  -1.517
  297   2HB   PHE  41          2HB       PHE  41   6.275   5.199  -0.066
  298    HD1  PHE  41           HD1      PHE  41   3.795   3.925  -2.498
  299    HD2  PHE  41           HD2      PHE  41   6.160   3.011   0.957
  300    HE1  PHE  41           HE1      PHE  41   3.263   1.513  -2.784
  301    HE2  PHE  41           HE2      PHE  41   5.801   0.574   0.564
  302    HZ   PHE  41           HZ       PHE  41   4.297  -0.169  -1.271
  303    H    ASP  42           H        ASP  42   5.255   6.117   2.619
  304    HA   ASP  42           HA       ASP  42   5.077   9.026   2.684
  305   1HB   ASP  42          1HB       ASP  42   4.874   7.598   4.709
  306   2HB   ASP  42          2HB       ASP  42   6.557   7.089   4.497
  307    H    GLU  43           H        GLU  43   6.265   9.893   1.040
  308    HA   GLU  43           HA       GLU  43   8.532   9.148  -0.196
  309   1HB   GLU  43          1HB       GLU  43   8.901  11.546  -0.708
  310   2HB   GLU  43          2HB       GLU  43   7.230  11.009  -0.927
  311   1HG   GLU  43          1HG       GLU  43   6.618  12.023   1.287
  312   2HG   GLU  43          2HG       GLU  43   8.286  12.594   1.460
  313    H    ASP  44           H        ASP  44   8.575  10.637   3.022
  314    HA   ASP  44           HA       ASP  44  11.488  10.950   2.981
  315   1HB   ASP  44          1HB       ASP  44  10.069  12.568   4.147
  316   2HB   ASP  44          2HB       ASP  44   9.442  11.290   5.205
  317    H    GLU  45           H        GLU  45   9.187   8.487   4.031
  318    HA   GLU  45           HA       GLU  45  11.364   7.005   5.444
  319   1HB   GLU  45          1HB       GLU  45   9.342   7.912   6.716
  320   2HB   GLU  45          2HB       GLU  45   8.403   6.656   5.900
  321   1HG   GLU  45          1HG       GLU  45   9.962   4.937   6.869
  322   2HG   GLU  45          2HG       GLU  45  10.887   6.232   7.638
  323    H    ILE  46           H        ILE  46  11.778   6.671   3.016
  324    HA   ILE  46           HA       ILE  46  11.238   3.900   2.407
  325    HB   ILE  46           HB       ILE  46  10.681   4.421   0.030
  326   1HG1  ILE  46          1HG1      ILE  46  10.071   7.240   0.982
  327   2HG1  ILE  46          2HG1      ILE  46  11.481   6.796   0.017
  328   1HG2  ILE  46          1HG2      ILE  46   8.919   3.800   1.725
  329   2HG2  ILE  46          2HG2      ILE  46   8.478   5.514   1.798
  330   3HG2  ILE  46          3HG2      ILE  46   8.364   4.616   0.274
  331   1HD1  ILE  46          1HD1      ILE  46   8.582   6.651  -0.843
  332   2HD1  ILE  46          2HD1      ILE  46   9.894   7.637  -1.512
  333   3HD1  ILE  46          3HD1      ILE  46   9.916   5.883  -1.743
  334    HA   PRO  47           HA       PRO  47  15.486   4.447   1.148
  335   1HB   PRO  47          1HB       PRO  47  14.816   3.022  -1.436
  336   2HB   PRO  47          2HB       PRO  47  16.160   2.711  -0.305
  337   1HG   PRO  47          1HG       PRO  47  13.996   1.092  -0.309
  338   2HG   PRO  47          2HG       PRO  47  14.674   1.659   1.246
  339   1HD   PRO  47          1HD       PRO  47  12.281   2.809  -0.227
  340   2HD   PRO  47          2HD       PRO  47  12.448   2.341   1.488
  341    H    ALA  48           H        ALA  48  15.961   6.528   0.610
  342    HA   ALA  48           HA       ALA  48  14.727   8.446  -0.709
  343   1HB   ALA  48          1HB       ALA  48  16.911   9.532  -1.065
  344   2HB   ALA  48          2HB       ALA  48  16.829   8.727   0.514
  345   3HB   ALA  48          3HB       ALA  48  17.733   7.976  -0.822
  346    H    GLY  49           H        GLY  49  16.908   6.232  -2.507
  347   1HA   GLY  49          1HA       GLY  49  16.801   7.534  -5.005
  348   2HA   GLY  49          2HA       GLY  49  17.132   5.814  -4.750
  349    H    VAL  50           H        VAL  50  14.388   5.372  -3.503
  350    HA   VAL  50           HA       VAL  50  13.048   4.857  -6.051
  351    HB   VAL  50           HB       VAL  50  12.190   4.181  -3.214
  352   1HG1  VAL  50          1HG1      VAL  50  10.306   4.190  -4.822
  353   2HG1  VAL  50          2HG1      VAL  50  11.257   3.225  -5.966
  354   3HG1  VAL  50          3HG1      VAL  50  10.752   2.525  -4.416
  355   1HG2  VAL  50          1HG2      VAL  50  14.329   3.068  -3.799
  356   2HG2  VAL  50          2HG2      VAL  50  12.988   1.915  -3.794
  357   3HG2  VAL  50          3HG2      VAL  50  13.628   2.519  -5.335
  358    H    ASP  51           H        ASP  51  12.372   6.798  -6.870
  359    HA   ASP  51           HA       ASP  51  11.132   8.936  -5.551
  360   1HB   ASP  51          1HB       ASP  51  11.764   9.253  -7.803
  361   2HB   ASP  51          2HB       ASP  51  10.877   7.832  -8.358
  362    H    ALA  52           H        ALA  52   9.421   8.935  -4.309
  363    HA   ALA  52           HA       ALA  52   7.685   6.940  -3.652
  364   1HB   ALA  52          1HB       ALA  52   8.012   9.034  -2.399
  365   2HB   ALA  52          2HB       ALA  52   7.044   9.911  -3.603
  366   3HB   ALA  52          3HB       ALA  52   6.296   8.633  -2.615
  367    H    VAL  53           H        VAL  53   7.259   9.325  -6.276
  368    HA   VAL  53           HA       VAL  53   4.532   8.790  -6.832
  369    HB   VAL  53           HB       VAL  53   6.740   9.725  -8.709
  370   1HG1  VAL  53          1HG1      VAL  53   4.871  10.803  -9.966
  371   2HG1  VAL  53          2HG1      VAL  53   4.806   9.043 -10.031
  372   3HG1  VAL  53          3HG1      VAL  53   3.710   9.929  -8.947
  373   1HG2  VAL  53          1HG2      VAL  53   5.883  11.995  -8.181
  374   2HG2  VAL  53          2HG2      VAL  53   4.759  11.297  -6.998
  375   3HG2  VAL  53          3HG2      VAL  53   6.512  11.213  -6.730
  376    H    LYS  54           H        LYS  54   7.432   6.904  -7.629
  377    HA   LYS  54           HA       LYS  54   6.129   5.408  -9.776
  378   1HB   LYS  54          1HB       LYS  54   8.552   4.676  -8.101
  379   2HB   LYS  54          2HB       LYS  54   8.047   3.917  -9.619
  380   1HG   LYS  54          1HG       LYS  54   8.318   6.150 -10.766
  381   2HG   LYS  54          2HG       LYS  54   8.986   6.792  -9.263
  382   1HD   LYS  54          1HD       LYS  54  10.143   4.577 -11.011
  383   2HD   LYS  54          2HD       LYS  54  10.815   6.185 -10.704
  384   1HE   LYS  54          1HE       LYS  54  10.965   5.482  -8.221
  385   2HE   LYS  54          2HE       LYS  54  10.611   3.836  -8.769
  386   1HZ   LYS  54          1HZ       LYS  54  12.877   5.473  -9.653
  387   2HZ   LYS  54          2HZ       LYS  54  12.939   4.210  -8.600
  388   3HZ   LYS  54          3HZ       LYS  54  12.532   3.947 -10.172
  389    H    ILE  55           H        ILE  55   6.820   4.851  -6.343
  390    HA   ILE  55           HA       ILE  55   5.575   2.213  -6.307
  391    HB   ILE  55           HB       ILE  55   5.987   2.253  -3.938
  392   1HG1  ILE  55          1HG1      ILE  55   7.527   4.837  -4.544
  393   2HG1  ILE  55          2HG1      ILE  55   6.029   4.722  -3.588
  394   1HG2  ILE  55          1HG2      ILE  55   7.476   1.242  -5.648
  395   2HG2  ILE  55          2HG2      ILE  55   8.396   2.764  -5.710
  396   3HG2  ILE  55          3HG2      ILE  55   8.332   1.796  -4.215
  397   1HD1  ILE  55          1HD1      ILE  55   7.294   2.943  -2.236
  398   2HD1  ILE  55          2HD1      ILE  55   8.761   3.598  -2.998
  399   3HD1  ILE  55          3HD1      ILE  55   7.754   4.657  -1.992
  400    H    SER  56           H        SER  56   4.555   5.493  -5.449
  401    HA   SER  56           HA       SER  56   2.232   4.623  -3.946
  402   1HB   SER  56          1HB       SER  56   2.952   7.321  -5.109
  403   2HB   SER  56          2HB       SER  56   1.671   7.014  -3.941
  404    HG   SER  56           HG       SER  56   4.474   6.720  -3.658
  405    H    MET  57           H        MET  57   0.257   4.153  -4.644
  406    HA   MET  57           HA       MET  57  -0.439   3.962  -7.392
  407   1HB   MET  57          1HB       MET  57  -1.382   2.679  -5.451
  408   2HB   MET  57          2HB       MET  57  -2.242   4.132  -4.936
  409   1HG   MET  57          1HG       MET  57  -2.607   2.923  -7.699
  410   2HG   MET  57          2HG       MET  57  -3.502   2.354  -6.287
  411   1HE   MET  57          1HE       MET  57  -5.688   2.631  -7.516
  412   2HE   MET  57          2HE       MET  57  -6.280   4.138  -8.229
  413   3HE   MET  57          3HE       MET  57  -4.896   3.297  -8.966
  414    HA   PRO  58           HA       PRO  58  -0.778   8.418  -8.071
  415   1HB   PRO  58          1HB       PRO  58  -2.978   7.464  -9.936
  416   2HB   PRO  58          2HB       PRO  58  -1.795   8.781 -10.200
  417   1HG   PRO  58          1HG       PRO  58  -1.314   6.332 -11.243
  418   2HG   PRO  58          2HG       PRO  58   0.004   7.184 -10.383
  419   1HD   PRO  58          1HD       PRO  58  -1.751   4.950  -9.358
  420   2HD   PRO  58          2HD       PRO  58   0.009   5.224  -9.145
  421    H    GLU  59           H        GLU  59  -1.603   9.437  -6.331
  422    HA   GLU  59           HA       GLU  59  -3.724   8.949  -4.745
  423   1HB   GLU  59          1HB       GLU  59  -2.771  11.756  -5.483
  424   2HB   GLU  59          2HB       GLU  59  -3.637  11.259  -4.029
  425   1HG   GLU  59          1HG       GLU  59  -1.533  11.235  -3.161
  426   2HG   GLU  59          2HG       GLU  59  -1.577   9.573  -3.749
  427    H    GLU  60           H        GLU  60  -3.931  10.783  -7.739
  428    HA   GLU  60           HA       GLU  60  -6.561  11.820  -7.484
  429   1HB   GLU  60          1HB       GLU  60  -4.573  11.315  -9.702
  430   2HB   GLU  60          2HB       GLU  60  -6.264  11.373 -10.188
  431   1HG   GLU  60          1HG       GLU  60  -5.298  13.599 -10.349
  432   2HG   GLU  60          2HG       GLU  60  -6.610  13.550  -9.163
  433    H    GLU  61           H        GLU  61  -5.408   8.625  -8.453
  434    HA   GLU  61           HA       GLU  61  -8.098   7.673  -9.169
  435   1HB   GLU  61          1HB       GLU  61  -5.341   6.376  -9.237
  436   2HB   GLU  61          2HB       GLU  61  -6.838   5.688  -9.878
  437   1HG   GLU  61          1HG       GLU  61  -7.041   7.545 -11.494
  438   2HG   GLU  61          2HG       GLU  61  -5.549   8.262 -10.869
  439    H    LEU  62           H        LEU  62  -8.932   5.768  -8.097
  440    HA   LEU  62           HA       LEU  62  -7.729   5.081  -5.468
  441   1HB   LEU  62          1HB       LEU  62 -10.646   5.941  -5.819
  442   2HB   LEU  62          2HB       LEU  62  -9.888   5.286  -4.372
  443    HG   LEU  62           HG       LEU  62  -8.280   7.401  -4.615
  444   1HD1  LEU  62          1HD1      LEU  62  -9.395   8.243  -6.761
  445   2HD1  LEU  62          2HD1      LEU  62 -10.899   8.404  -5.851
  446   3HD1  LEU  62          3HD1      LEU  62  -9.485   9.384  -5.419
  447   1HD2  LEU  62          1HD2      LEU  62  -9.789   8.598  -3.090
  448   2HD2  LEU  62          2HD2      LEU  62 -11.138   7.543  -3.570
  449   3HD2  LEU  62          3HD2      LEU  62  -9.740   6.864  -2.711
  450    H    LEU  63           H        LEU  63  -8.164   3.088  -4.793
  451    HA   LEU  63           HA       LEU  63  -9.335   1.089  -6.581
  452   1HB   LEU  63          1HB       LEU  63  -8.272   0.835  -3.745
  453   2HB   LEU  63          2HB       LEU  63  -8.607  -0.463  -4.896
  454    HG   LEU  63           HG       LEU  63  -6.474   1.686  -5.293
  455   1HD1  LEU  63          1HD1      LEU  63  -6.232  -1.203  -4.384
  456   2HD1  LEU  63          2HD1      LEU  63  -4.889  -0.065  -4.656
  457   3HD1  LEU  63          3HD1      LEU  63  -6.042   0.230  -3.344
  458   1HD2  LEU  63          1HD2      LEU  63  -6.935  -0.967  -6.734
  459   2HD2  LEU  63          2HD2      LEU  63  -7.311   0.630  -7.427
  460   3HD2  LEU  63          3HD2      LEU  63  -5.642   0.195  -7.061
  461    H    ASN  64           H        ASN  64 -11.477   1.701  -6.679
  462    HA   ASN  64           HA       ASN  64 -13.040   2.022  -4.141
  463   1HB   ASN  64          1HB       ASN  64 -12.903   3.901  -5.865
  464   2HB   ASN  64          2HB       ASN  64 -13.894   2.889  -6.917
  465   1HD2  ASN  64          1HD2      ASN  64 -16.519   3.211  -4.075
  466   2HD2  ASN  64          2HD2      ASN  64 -15.548   1.806  -4.466
  467    H    ALA  65           H        ALA  65 -13.049   0.381  -7.375
  468    HA   ALA  65           HA       ALA  65 -15.551  -0.928  -6.783
  469   1HB   ALA  65          1HB       ALA  65 -14.967  -0.484  -9.067
  470   2HB   ALA  65          2HB       ALA  65 -13.500  -1.470  -8.949
  471   3HB   ALA  65          3HB       ALA  65 -15.092  -2.236  -8.820
  472    HA   PRO  66           HA       PRO  66 -13.875  -4.020  -4.024
  473   1HB   PRO  66          1HB       PRO  66 -15.811  -5.869  -5.425
  474   2HB   PRO  66          2HB       PRO  66 -15.520  -5.679  -3.672
  475   1HG   PRO  66          1HG       PRO  66 -17.685  -4.533  -4.865
  476   2HG   PRO  66          2HG       PRO  66 -16.754  -3.644  -3.630
  477   1HD   PRO  66          1HD       PRO  66 -16.660  -3.317  -6.623
  478   2HD   PRO  66          2HD       PRO  66 -16.587  -2.094  -5.313
  479    H    GLY  67           H        GLY  67 -11.995  -5.342  -4.295
  480   1HA   GLY  67          1HA       GLY  67 -10.823  -7.092  -5.220
  481   2HA   GLY  67          2HA       GLY  67 -11.833  -7.105  -6.656
  482    H    GLU  68           H        GLU  68 -11.085  -3.882  -6.681
  483    HA   GLU  68           HA       GLU  68  -9.177  -4.138  -8.725
  484   1HB   GLU  68          1HB       GLU  68  -9.665  -1.817  -6.819
  485   2HB   GLU  68          2HB       GLU  68  -8.539  -1.756  -8.189
  486   1HG   GLU  68          1HG       GLU  68 -10.358  -2.333  -9.757
  487   2HG   GLU  68          2HG       GLU  68 -11.508  -2.300  -8.424
  488    H    THR  69           H        THR  69  -7.075  -4.682  -8.813
  489    HA   THR  69           HA       THR  69  -5.475  -4.961  -6.335
  490    HB   THR  69           HB       THR  69  -4.082  -6.346  -7.992
  491    HG1  THR  69           HG1      THR  69  -5.118  -5.400  -9.826
  492   1HG2  THR  69          1HG2      THR  69  -6.920  -7.268  -7.421
  493   2HG2  THR  69          2HG2      THR  69  -5.526  -8.302  -7.797
  494   3HG2  THR  69          3HG2      THR  69  -5.540  -7.342  -6.298
  495    OH   TYR  70           OH       TYR  70   1.941   2.002  -7.395
  496    H    TYR  70           H        TYR  70  -3.954  -3.487  -5.969
  497    HA   TYR  70           HA       TYR  70  -2.670  -2.038  -8.260
  498   1HB   TYR  70          1HB       TYR  70  -3.577  -0.570  -6.527
  499   2HB   TYR  70          2HB       TYR  70  -2.708  -1.429  -5.282
  500    HD1  TYR  70           HD2      TYR  70  -2.067   0.266  -8.588
  501    HD2  TYR  70           HD1      TYR  70  -0.628  -0.500  -4.592
  502    HE1  TYR  70           HE2      TYR  70  -0.014   1.566  -9.071
  503    HE2  TYR  70           HE1      TYR  70   1.404   0.823  -5.075
  504    HH   TYR  70           HH       TYR  70   2.522   2.094  -6.633
  505    H    VAL  71           H        VAL  71  -0.968  -3.253  -8.963
  506    HA   VAL  71           HA       VAL  71   0.516  -4.894  -7.028
  507    HB   VAL  71           HB       VAL  71   0.768  -4.873 -10.046
  508   1HG1  VAL  71          1HG1      VAL  71   2.697  -5.859  -8.881
  509   2HG1  VAL  71          2HG1      VAL  71   1.619  -6.816  -7.846
  510   3HG1  VAL  71          3HG1      VAL  71   1.724  -7.155  -9.588
  511   1HG2  VAL  71          1HG2      VAL  71  -1.538  -5.494  -9.512
  512   2HG2  VAL  71          2HG2      VAL  71  -0.636  -6.956  -9.919
  513   3HG2  VAL  71          3HG2      VAL  71  -0.983  -6.577  -8.220
  514    H    VAL  72           H        VAL  72   2.685  -4.453  -6.476
  515    HA   VAL  72           HA       VAL  72   4.165  -2.477  -8.090
  516    HB   VAL  72           HB       VAL  72   2.929  -1.121  -6.487
  517   1HG1  VAL  72          1HG1      VAL  72   4.488  -2.509  -4.267
  518   2HG1  VAL  72          2HG1      VAL  72   3.359  -1.155  -4.121
  519   3HG1  VAL  72          3HG1      VAL  72   2.760  -2.751  -4.615
  520   1HG2  VAL  72          1HG2      VAL  72   5.083  -0.321  -7.277
  521   2HG2  VAL  72          2HG2      VAL  72   4.839   0.137  -5.580
  522   3HG2  VAL  72          3HG2      VAL  72   5.927  -1.202  -5.986
  523    H    THR  73           H        THR  73   6.180  -3.067  -8.388
  524    HA   THR  73           HA       THR  73   7.302  -5.388  -7.002
  525    HB   THR  73           HB       THR  73   8.455  -3.744  -9.280
  526    HG1  THR  73           HG1      THR  73   7.356  -5.151 -10.625
  527   1HG2  THR  73          1HG2      THR  73   9.971  -5.410  -8.178
  528   2HG2  THR  73          2HG2      THR  73   8.765  -6.675  -8.488
  529   3HG2  THR  73          3HG2      THR  73   9.573  -5.866  -9.845
  530    H    LEU  74           H        LEU  74   8.148  -4.800  -4.964
  531    HA   LEU  74           HA       LEU  74   9.728  -2.264  -4.802
  532   1HB   LEU  74          1HB       LEU  74   9.100  -4.256  -2.614
  533   2HB   LEU  74          2HB       LEU  74   9.963  -2.712  -2.488
  534    HG   LEU  74           HG       LEU  74   7.026  -3.118  -3.132
  535   1HD1  LEU  74          1HD1      LEU  74   6.703  -1.822  -1.075
  536   2HD1  LEU  74          2HD1      LEU  74   7.798  -3.174  -0.721
  537   3HD1  LEU  74          3HD1      LEU  74   8.446  -1.538  -0.929
  538   1HD2  LEU  74          1HD2      LEU  74   8.652  -0.536  -3.222
  539   2HD2  LEU  74          2HD2      LEU  74   7.756  -1.274  -4.567
  540   3HD2  LEU  74          3HD2      LEU  74   6.878  -0.611  -3.188
  541    H    ASP  75           H        ASP  75  11.363  -2.709  -6.215
  542    HA   ASP  75           HA       ASP  75  13.071  -5.009  -5.998
  543   1HB   ASP  75          1HB       ASP  75  14.433  -3.979  -7.634
  544   2HB   ASP  75          2HB       ASP  75  12.753  -3.652  -8.070
  545    H    THR  76           H        THR  76  13.468  -1.626  -4.776
  546    HA   THR  76           HA       THR  76  16.127  -2.194  -3.822
  547    HB   THR  76           HB       THR  76  14.406   0.179  -3.067
  548    HG1  THR  76           HG1      THR  76  15.518  -0.501  -5.572
  549   1HG2  THR  76          1HG2      THR  76  16.655   0.067  -2.066
  550   2HG2  THR  76          2HG2      THR  76  17.377  -0.105  -3.686
  551   3HG2  THR  76          3HG2      THR  76  16.529   1.390  -3.239
  552    H    LYS  77           H        LYS  77  16.704  -3.016  -1.860
  553    HA   LYS  77           HA       LYS  77  14.779  -3.771   0.126
  554   1HB   LYS  77          1HB       LYS  77  16.608  -4.527   1.412
  555   2HB   LYS  77          2HB       LYS  77  16.943  -4.960  -0.251
  556   1HG   LYS  77          1HG       LYS  77  18.170  -2.624   1.302
  557   2HG   LYS  77          2HG       LYS  77  18.915  -4.188   1.048
  558   1HD   LYS  77          1HD       LYS  77  18.335  -2.099  -1.094
  559   2HD   LYS  77          2HD       LYS  77  19.890  -2.531  -0.419
  560   1HE   LYS  77          1HE       LYS  77  18.172  -4.426  -2.101
  561   2HE   LYS  77          2HE       LYS  77  19.622  -3.561  -2.620
  562   1HZ   LYS  77          1HZ       LYS  77  19.495  -5.583  -0.502
  563   2HZ   LYS  77          2HZ       LYS  77  20.121  -5.780  -2.010
  564   3HZ   LYS  77          3HZ       LYS  77  20.852  -4.756  -0.947
  565    H    GLY  78           H        GLY  78  14.614  -3.050   2.300
  566   1HA   GLY  78          1HA       GLY  78  15.516  -1.218   3.852
  567   2HA   GLY  78          2HA       GLY  78  14.895  -0.100   2.625
  568    H    THR  79           H        THR  79  13.782   0.295   4.966
  569    HA   THR  79           HA       THR  79  11.285  -1.266   5.171
  570    HB   THR  79           HB       THR  79  12.054   0.863   7.143
  571    HG1  THR  79           HG1      THR  79  13.335  -1.654   6.894
  572   1HG2  THR  79          1HG2      THR  79  10.991  -1.998   7.424
  573   2HG2  THR  79          2HG2      THR  79  11.110  -0.778   8.701
  574   3HG2  THR  79          3HG2      THR  79   9.977  -0.554   7.343
  575    OH   TYR  80           OH       TYR  80  11.878  -0.160  -2.346
  576    H    TYR  80           H        TYR  80   9.608  -0.453   4.079
  577    HA   TYR  80           HA       TYR  80   9.522   2.450   3.373
  578   1HB   TYR  80          1HB       TYR  80   8.168  -0.009   2.210
  579   2HB   TYR  80          2HB       TYR  80   7.793   1.633   1.741
  580    HD1  TYR  80           HD1      TYR  80  10.820  -0.601   2.028
  581    HD2  TYR  80           HD2      TYR  80   8.579   2.206  -0.346
  582    HE1  TYR  80           HE1      TYR  80  12.290  -1.047   0.131
  583    HE2  TYR  80           HE2      TYR  80   9.977   1.643  -2.305
  584    HH   TYR  80           HH       TYR  80  12.496  -0.871  -2.137
  585    H    SER  81           H        SER  81   7.915   3.692   4.265
  586    HA   SER  81           HA       SER  81   5.709   2.313   5.769
  587   1HB   SER  81          1HB       SER  81   6.578   5.209   5.859
  588   2HB   SER  81          2HB       SER  81   5.423   4.392   6.930
  589    HG   SER  81           HG       SER  81   8.171   3.726   6.598
  590    H    PHE  82           H        PHE  82   3.533   2.602   5.116
  591    HA   PHE  82           HA       PHE  82   2.997   4.553   2.977
  592   1HB   PHE  82          1HB       PHE  82   1.810   2.881   1.609
  593   2HB   PHE  82          2HB       PHE  82   3.492   2.569   1.702
  594    HD1  PHE  82           HD2      PHE  82   0.168   1.589   3.070
  595    HD2  PHE  82           HD1      PHE  82   4.276   0.298   2.536
  596    HE1  PHE  82           HE2      PHE  82  -0.352  -0.583   4.097
  597    HE2  PHE  82           HE1      PHE  82   3.694  -1.865   3.517
  598    HZ   PHE  82           HZ       PHE  82   1.403  -2.296   4.375
  599    OH   TYR  83           OH       TYR  83   1.376  10.420   1.848
  600    H    TYR  83           H        TYR  83   0.659   4.613   2.447
  601    HA   TYR  83           HA       TYR  83  -1.141   3.896   4.620
  602   1HB   TYR  83          1HB       TYR  83  -1.744   6.278   5.133
  603   2HB   TYR  83          2HB       TYR  83  -0.110   5.843   5.623
  604    HD1  TYR  83           HD2      TYR  83  -2.095   7.827   3.203
  605    HD2  TYR  83           HD1      TYR  83   1.867   6.787   4.540
  606    HE1  TYR  83           HE2      TYR  83  -1.165   9.788   1.996
  607    HE2  TYR  83           HE1      TYR  83   2.797   8.674   3.253
  608    HH   TYR  83           HH       TYR  83   2.335  10.434   1.825
  609    H    CYS  84           H        CYS  84  -3.347   4.538   4.274
  610    HA   CYS  84           HA       CYS  84  -4.066   4.674   1.363
  611   1HB   CYS  84          1HB       CYS  84  -5.177   2.832   2.500
  612   2HB   CYS  84          2HB       CYS  84  -5.506   3.857   3.909
  613    H    SER  85           H        SER  85  -3.951   6.785   0.822
  614    HA   SER  85           HA       SER  85  -4.175   8.849   2.581
  615   1HB   SER  85          1HB       SER  85  -4.777  10.376   0.598
  616   2HB   SER  85          2HB       SER  85  -3.221   9.559   0.696
  617    HG   SER  85           HG       SER  85  -4.157   7.884  -0.667
  618    HA   PRO  86           HA       PRO  86  -8.974   9.515   1.775
  619   1HB   PRO  86          1HB       PRO  86  -9.555   6.547   1.641
  620   2HB   PRO  86          2HB       PRO  86 -10.510   7.901   0.976
  621   1HG   PRO  86          1HG       PRO  86  -8.867   6.445  -0.632
  622   2HG   PRO  86          2HG       PRO  86  -8.948   8.230  -0.783
  623   1HD   PRO  86          1HD       PRO  86  -6.803   6.570   0.490
  624   2HD   PRO  86          2HD       PRO  86  -6.717   8.079  -0.451
  625    H    HIS  87           H        HIS  87  -7.242   7.123   3.743
  626    HA   HIS  87           HA       HIS  87  -9.016   7.772   6.050
  627   1HB   HIS  87          1HB       HIS  87  -8.057   5.016   5.256
  628   2HB   HIS  87          2HB       HIS  87  -8.976   5.403   6.705
  629    HD2  HIS  87           HD2      HIS  87 -11.491   6.762   5.986
  630    HE1  HIS  87           HE1      HIS  87 -12.064   4.091   2.732
  631    HE2  HIS  87           HE2      HIS  87 -13.195   5.760   4.271
  632    H    GLN  88           H        GLN  88  -6.083   8.469   5.001
  633    HA   GLN  88           HA       GLN  88  -4.353   7.208   6.857
  634   1HB   GLN  88          1HB       GLN  88  -2.773   8.862   6.283
  635   2HB   GLN  88          2HB       GLN  88  -3.651   8.383   4.838
  636   1HG   GLN  88          1HG       GLN  88  -5.040  10.514   5.096
  637   2HG   GLN  88          2HG       GLN  88  -3.933  10.996   6.386
  638   1HE2  GLN  88          1HE2      GLN  88  -1.144  11.518   4.144
  639   2HE2  GLN  88          2HE2      GLN  88  -1.517  10.986   5.772
  640    H    GLY  89           H        GLY  89  -6.342  10.145   7.069
  641   1HA   GLY  89          1HA       GLY  89  -5.538  11.085   9.612
  642   2HA   GLY  89          2HA       GLY  89  -7.131  11.329   8.870
  643    H    ALA  90           H        ALA  90  -7.645   8.373   8.685
  644    HA   ALA  90           HA       ALA  90  -8.618   7.968  11.439
  645   1HB   ALA  90          1HB       ALA  90  -9.136   6.388   8.894
  646   2HB   ALA  90          2HB       ALA  90  -9.981   6.221  10.443
  647   3HB   ALA  90          3HB       ALA  90 -10.149   7.717   9.505
  648    H    GLY  91           H        GLY  91  -5.657   7.486  10.181
  649   1HA   GLY  91          1HA       GLY  91  -3.952   6.233  10.986
  650   2HA   GLY  91          2HA       GLY  91  -5.067   5.309  11.998
  651    H    MET  92           H        MET  92  -5.862   5.427   8.537
  652    HA   MET  92           HA       MET  92  -5.257   2.562   8.416
  653   1HB   MET  92          1HB       MET  92  -7.293   3.530   7.371
  654   2HB   MET  92          2HB       MET  92  -6.244   4.309   6.161
  655   1HG   MET  92          1HG       MET  92  -5.425   2.137   5.409
  656   2HG   MET  92          2HG       MET  92  -6.169   1.333   6.781
  657   1HE   MET  92          1HE       MET  92  -7.910  -0.472   3.978
  658   2HE   MET  92          2HE       MET  92  -6.253   0.174   3.894
  659   3HE   MET  92          3HE       MET  92  -6.862  -0.529   5.404
  660    H    VAL  93           H        VAL  93  -3.036   2.837   8.899
  661    HA   VAL  93           HA       VAL  93  -1.299   3.555   6.591
  662    HB   VAL  93           HB       VAL  93   0.425   4.165   8.116
  663   1HG1  VAL  93          1HG1      VAL  93  -1.352   5.880   7.531
  664   2HG1  VAL  93          2HG1      VAL  93  -2.141   5.514   9.071
  665   3HG1  VAL  93          3HG1      VAL  93  -0.502   6.183   9.055
  666   1HG2  VAL  93          1HG2      VAL  93  -0.052   2.581   9.942
  667   2HG2  VAL  93          2HG2      VAL  93   0.052   4.244  10.549
  668   3HG2  VAL  93          3HG2      VAL  93  -1.537   3.478  10.339
  669    H    GLY  94           H        GLY  94   0.877   2.302   6.674
  670   1HA   GLY  94          1HA       GLY  94   0.906  -0.250   7.998
  671   2HA   GLY  94          2HA       GLY  94   0.523  -0.417   6.284
  672    H    LYS  95           H        LYS  95   2.841  -1.593   6.857
  673    HA   LYS  95           HA       LYS  95   4.922   0.170   5.816
  674   1HB   LYS  95          1HB       LYS  95   4.773   0.621   8.272
  675   2HB   LYS  95          2HB       LYS  95   5.091  -1.077   8.604
  676   1HG   LYS  95          1HG       LYS  95   7.379  -0.847   7.852
  677   2HG   LYS  95          2HG       LYS  95   7.030   0.730   7.099
  678   1HD   LYS  95          1HD       LYS  95   6.568   1.764   9.246
  679   2HD   LYS  95          2HD       LYS  95   6.744   0.215  10.086
  680   1HE   LYS  95          1HE       LYS  95   8.718   1.656  10.364
  681   2HE   LYS  95          2HE       LYS  95   9.125   0.146   9.540
  682   1HZ   LYS  95          1HZ       LYS  95   8.615   2.733   8.225
  683   2HZ   LYS  95          2HZ       LYS  95  10.114   2.109   8.526
  684   3HZ   LYS  95          3HZ       LYS  95   9.097   1.352   7.470
  685    H    VAL  96           H        VAL  96   6.817  -1.086   5.111
  686    HA   VAL  96           HA       VAL  96   6.513  -4.013   5.234
  687    HB   VAL  96           HB       VAL  96   5.157  -3.484   3.379
  688   1HG1  VAL  96          1HG1      VAL  96   7.513  -2.125   2.019
  689   2HG1  VAL  96          2HG1      VAL  96   5.872  -2.318   1.381
  690   3HG1  VAL  96          3HG1      VAL  96   6.156  -1.236   2.752
  691   1HG2  VAL  96          1HG2      VAL  96   7.782  -4.520   2.313
  692   2HG2  VAL  96          2HG2      VAL  96   6.578  -5.478   3.224
  693   3HG2  VAL  96          3HG2      VAL  96   6.151  -4.763   1.656
  694    H    THR  97           H        THR  97   8.333  -5.059   5.289
  695    HA   THR  97           HA       THR  97  10.883  -3.545   5.239
  696    HB   THR  97           HB       THR  97  10.492  -6.324   6.356
  697    HG1  THR  97           HG1      THR  97   8.862  -5.165   7.292
  698   1HG2  THR  97          1HG2      THR  97  12.789  -5.400   6.246
  699   2HG2  THR  97          2HG2      THR  97  12.252  -3.990   7.188
  700   3HG2  THR  97          3HG2      THR  97  12.215  -5.607   7.913
  701    H    VAL  98           H        VAL  98  11.501  -3.527   3.007
  702    HA   VAL  98           HA       VAL  98  11.372  -5.993   1.480
  703    HB   VAL  98           HB       VAL  98  12.645  -3.334   0.785
  704   1HG1  VAL  98          1HG1      VAL  98  12.361  -4.151  -1.529
  705   2HG1  VAL  98          2HG1      VAL  98  13.326  -5.321  -0.614
  706   3HG1  VAL  98          3HG1      VAL  98  11.617  -5.647  -0.940
  707   1HG2  VAL  98          1HG2      VAL  98  10.237  -3.016   1.315
  708   2HG2  VAL  98          2HG2      VAL  98  10.548  -2.882  -0.410
  709   3HG2  VAL  98          3HG2      VAL  98   9.828  -4.366   0.236
  710    H    ASN  99           H        ASN  99  12.963  -7.518   1.655
  711    HA   ASN  99           HA       ASN  99  15.751  -6.781   2.357
  712   1HB   ASN  99          1HB       ASN  99  15.792  -8.170   4.319
  713   2HB   ASN  99          2HB       ASN  99  14.457  -7.032   4.531
  714   1HD2  ASN  99          1HD2      ASN  99  11.941  -9.632   4.232
  715   2HD2  ASN  99          2HD2      ASN  99  12.167  -7.903   4.004
   
  Start of MODEL          14
 Raw file had 715 H/Q atoms
  Start of MODEL   14
    1    H    LEU   1           H        LEU   1   2.894 -10.274  -3.584
    2    HA   LEU   1           HA       LEU   1   1.974 -11.944  -1.300
    3   1HB   LEU   1          1HB       LEU   1   4.107 -10.931  -0.851
    4   2HB   LEU   1          2HB       LEU   1   3.414  -9.310  -1.100
    5    HG   LEU   1           HG       LEU   1   3.874  -9.837   1.221
    6   1HD1  LEU   1          1HD1      LEU   1   1.876  -9.050   2.224
    7   2HD1  LEU   1          2HD1      LEU   1   1.989  -8.317   0.613
    8   3HD1  LEU   1          3HD1      LEU   1   0.867  -9.664   0.916
    9   1HD2  LEU   1          1HD2      LEU   1   2.704 -11.460   2.513
   10   2HD2  LEU   1          2HD2      LEU   1   1.752 -12.001   1.110
   11   3HD2  LEU   1          3HD2      LEU   1   3.511 -12.280   1.163
   12    H    GLU   2           H        GLU   2   0.031 -11.621  -0.907
   13    HA   GLU   2           HA       GLU   2  -1.562  -9.462  -2.178
   14   1HB   GLU   2          1HB       GLU   2  -2.409 -12.055  -0.848
   15   2HB   GLU   2          2HB       GLU   2  -3.530 -10.819  -1.449
   16   1HG   GLU   2          1HG       GLU   2  -2.500 -10.947  -3.697
   17   2HG   GLU   2          2HG       GLU   2  -1.434 -12.251  -3.145
   18    H    VAL   3           H        VAL   3  -2.060  -7.693  -1.144
   19    HA   VAL   3           HA       VAL   3  -2.323  -7.724   1.838
   20    HB   VAL   3           HB       VAL   3  -1.658  -5.375   0.038
   21   1HG1  VAL   3          1HG1      VAL   3  -1.700  -5.746   3.066
   22   2HG1  VAL   3          2HG1      VAL   3  -1.089  -4.305   2.242
   23   3HG1  VAL   3          3HG1      VAL   3  -2.806  -4.733   2.115
   24   1HG2  VAL   3          1HG2      VAL   3   0.231  -6.919   0.029
   25   2HG2  VAL   3          2HG2      VAL   3   0.603  -5.471   0.970
   26   3HG2  VAL   3          3HG2      VAL   3   0.210  -6.985   1.811
   27    H    LEU   4           H        LEU   4  -4.415  -7.630   2.467
   28    HA   LEU   4           HA       LEU   4  -6.464  -6.739   0.522
   29   1HB   LEU   4          1HB       LEU   4  -6.746  -7.853   3.323
   30   2HB   LEU   4          2HB       LEU   4  -8.039  -7.570   2.173
   31    HG   LEU   4           HG       LEU   4  -5.776  -9.605   1.939
   32   1HD1  LEU   4          1HD1      LEU   4  -7.606 -11.236   2.103
   33   2HD1  LEU   4          2HD1      LEU   4  -7.604 -10.161   3.513
   34   3HD1  LEU   4          3HD1      LEU   4  -8.796  -9.921   2.217
   35   1HD2  LEU   4          1HD2      LEU   4  -7.976  -8.915  -0.061
   36   2HD2  LEU   4          2HD2      LEU   4  -6.216  -8.845  -0.322
   37   3HD2  LEU   4          3HD2      LEU   4  -7.010 -10.405  -0.107
   38    H    LEU   5           H        LEU   5  -7.082  -4.592   0.444
   39    HA   LEU   5           HA       LEU   5  -6.472  -2.810   2.678
   40   1HB   LEU   5          1HB       LEU   5  -8.208  -2.358   0.227
   41   2HB   LEU   5          2HB       LEU   5  -7.716  -1.182   1.449
   42    HG   LEU   5           HG       LEU   5  -6.397  -0.615  -0.204
   43   1HD1  LEU   5          1HD1      LEU   5  -4.116  -1.171   0.240
   44   2HD1  LEU   5          2HD1      LEU   5  -5.041  -0.975   1.743
   45   3HD1  LEU   5          3HD1      LEU   5  -4.601  -2.612   1.166
   46   1HD2  LEU   5          1HD2      LEU   5  -5.692  -3.370  -1.084
   47   2HD2  LEU   5          2HD2      LEU   5  -7.011  -2.351  -1.754
   48   3HD2  LEU   5          3HD2      LEU   5  -5.353  -1.792  -1.864
   49    H    GLY   6           H        GLY   6  -7.667  -3.070   4.522
   50   1HA   GLY   6          1HA       GLY   6  -9.585  -2.665   5.732
   51   2HA   GLY   6          2HA       GLY   6 -10.619  -3.031   4.355
   52    H    SER   7           H        SER   7 -10.388  -4.147   7.208
   53    HA   SER   7           HA       SER   7  -9.698  -6.940   6.823
   54   1HB   SER   7          1HB       SER   7 -10.451  -7.075   9.200
   55   2HB   SER   7          2HB       SER   7  -9.233  -5.813   8.956
   56    HG   SER   7           HG       SER   7 -10.933  -4.276   8.897
   57    H    GLY   8           H        GLY   8 -11.250  -8.530   7.176
   58   1HA   GLY   8          1HA       GLY   8 -13.569  -8.484   5.550
   59   2HA   GLY   8          2HA       GLY   8 -13.259  -9.684   6.814
   60    H    ASP   9           H        ASP   9 -13.183  -7.757   8.995
   61    HA   ASP   9           HA       ASP   9 -16.026  -7.577   9.562
   62   1HB   ASP   9          1HB       ASP   9 -15.312  -6.769  11.739
   63   2HB   ASP   9          2HB       ASP   9 -14.377  -8.197  11.283
   64    H    GLY  10           H        GLY  10 -14.040  -5.540   7.734
   65   1HA   GLY  10          1HA       GLY  10 -14.893  -3.630   6.707
   66   2HA   GLY  10          2HA       GLY  10 -15.933  -3.278   8.084
   67    H    SER  11           H        SER  11 -13.335  -3.858   9.872
   68    HA   SER  11           HA       SER  11 -12.736  -1.139  10.213
   69   1HB   SER  11          1HB       SER  11 -12.383  -2.761  11.960
   70   2HB   SER  11          2HB       SER  11 -11.008  -3.483  11.092
   71    HG   SER  11           HG       SER  11 -10.407  -1.873  12.661
   72    H    LEU  12           H        LEU  12 -11.362   0.208   9.411
   73    HA   LEU  12           HA       LEU  12 -10.170  -0.226   6.828
   74   1HB   LEU  12          1HB       LEU  12 -10.137   2.130   8.772
   75   2HB   LEU  12          2HB       LEU  12  -9.634   2.225   7.087
   76    HG   LEU  12           HG       LEU  12 -12.470   1.457   7.931
   77   1HD1  LEU  12          1HD1      LEU  12 -11.307   4.163   7.175
   78   2HD1  LEU  12          2HD1      LEU  12 -13.042   3.798   7.320
   79   3HD1  LEU  12          3HD1      LEU  12 -11.991   3.699   8.742
   80   1HD2  LEU  12          1HD2      LEU  12 -12.988   2.074   5.588
   81   2HD2  LEU  12          2HD2      LEU  12 -11.264   2.363   5.278
   82   3HD2  LEU  12          3HD2      LEU  12 -11.841   0.728   5.658
   83    H    VAL  13           H        VAL  13  -8.772  -1.991   7.799
   84    HA   VAL  13           HA       VAL  13  -6.106  -0.821   8.474
   85    HB   VAL  13           HB       VAL  13  -6.915  -3.631   9.184
   86   1HG1  VAL  13          1HG1      VAL  13  -4.561  -3.020   9.353
   87   2HG1  VAL  13          2HG1      VAL  13  -4.976  -1.634  10.390
   88   3HG1  VAL  13          3HG1      VAL  13  -5.235  -3.297  10.963
   89   1HG2  VAL  13          1HG2      VAL  13  -7.485  -2.829  11.509
   90   2HG2  VAL  13          2HG2      VAL  13  -7.490  -1.162  10.894
   91   3HG2  VAL  13          3HG2      VAL  13  -8.677  -2.351  10.304
   92    H    PHE  14           H        PHE  14  -4.347  -1.827   7.479
   93    HA   PHE  14           HA       PHE  14  -4.869  -3.146   4.861
   94   1HB   PHE  14          1HB       PHE  14  -2.395  -2.086   6.293
   95   2HB   PHE  14          2HB       PHE  14  -2.277  -3.134   4.900
   96    HD1  PHE  14           HD1      PHE  14  -3.280   0.248   6.036
   97    HD2  PHE  14           HD2      PHE  14  -2.506  -2.331   2.661
   98    HE1  PHE  14           HE1      PHE  14  -2.929   2.215   4.568
   99    HE2  PHE  14           HE2      PHE  14  -2.004  -0.378   1.291
  100    HZ   PHE  14           HZ       PHE  14  -2.387   1.917   2.168
  101    H    VAL  15           H        VAL  15  -4.768  -5.418   4.729
  102    HA   VAL  15           HA       VAL  15  -3.617  -6.862   7.100
  103    HB   VAL  15           HB       VAL  15  -5.899  -7.700   5.319
  104   1HG1  VAL  15          1HG1      VAL  15  -4.595  -9.623   6.172
  105   2HG1  VAL  15          2HG1      VAL  15  -4.702  -8.968   7.821
  106   3HG1  VAL  15          3HG1      VAL  15  -6.165  -9.513   6.976
  107   1HG2  VAL  15          1HG2      VAL  15  -5.857  -6.653   8.176
  108   2HG2  VAL  15          2HG2      VAL  15  -6.626  -5.879   6.770
  109   3HG2  VAL  15          3HG2      VAL  15  -7.256  -7.409   7.386
  110    HA   PRO  16           HA       PRO  16  -1.680  -7.654   7.544
  111   1HB   PRO  16          1HB       PRO  16   0.983  -7.648   7.170
  112   2HB   PRO  16          2HB       PRO  16   0.018  -9.147   7.071
  113   1HG   PRO  16          1HG       PRO  16   0.908  -7.384   4.760
  114   2HG   PRO  16          2HG       PRO  16   1.140  -9.151   4.929
  115   1HD   PRO  16          1HD       PRO  16  -0.941  -8.109   3.535
  116   2HD   PRO  16          2HD       PRO  16  -1.175  -9.560   4.538
  117    H    SER  17           H        SER  17  -0.560  -5.889   8.656
  118    HA   SER  17           HA       SER  17  -0.726  -3.283   7.302
  119   1HB   SER  17          1HB       SER  17  -0.371  -2.620   9.772
  120   2HB   SER  17          2HB       SER  17  -1.870  -3.493   9.387
  121    HG   SER  17           HG       SER  17  -0.841  -4.451  11.190
  122    H    GLU  18           H        GLU  18   1.408  -5.001   9.506
  123    HA   GLU  18           HA       GLU  18   3.848  -3.709   8.373
  124   1HB   GLU  18          1HB       GLU  18   2.943  -4.170  11.059
  125   2HB   GLU  18          2HB       GLU  18   4.333  -5.220  10.806
  126   1HG   GLU  18          1HG       GLU  18   4.298  -2.246  10.130
  127   2HG   GLU  18          2HG       GLU  18   4.826  -2.892  11.691
  128    H    PHE  19           H        PHE  19   5.167  -5.000   7.146
  129    HA   PHE  19           HA       PHE  19   5.422  -7.836   7.681
  130   1HB   PHE  19          1HB       PHE  19   4.514  -8.746   5.678
  131   2HB   PHE  19          2HB       PHE  19   3.264  -7.822   6.457
  132    HD1  PHE  19           HD1      PHE  19   2.935  -5.308   5.606
  133    HD2  PHE  19           HD2      PHE  19   4.710  -8.537   3.339
  134    HE1  PHE  19           HE1      PHE  19   2.309  -4.196   3.497
  135    HE2  PHE  19           HE2      PHE  19   4.248  -7.297   1.245
  136    HZ   PHE  19           HZ       PHE  19   3.022  -5.142   1.319
  137    H    SER  20           H        SER  20   6.641  -8.817   5.472
  138    HA   SER  20           HA       SER  20   8.570  -6.870   4.509
  139   1HB   SER  20          1HB       SER  20  10.493  -8.301   5.270
  140   2HB   SER  20          2HB       SER  20   9.603  -7.597   6.631
  141    HG   SER  20           HG       SER  20   8.472  -9.604   6.787
  142    H    VAL  21           H        VAL  21   9.865  -7.759   2.733
  143    HA   VAL  21           HA       VAL  21   8.980 -10.309   1.584
  144    HB   VAL  21           HB       VAL  21   8.369  -9.232  -0.562
  145   1HG1  VAL  21          1HG1      VAL  21   6.518  -8.266   1.619
  146   2HG1  VAL  21          2HG1      VAL  21   6.114  -8.644  -0.062
  147   3HG1  VAL  21          3HG1      VAL  21   6.601  -9.948   1.034
  148   1HG2  VAL  21          1HG2      VAL  21   8.350  -6.605   0.975
  149   2HG2  VAL  21          2HG2      VAL  21   9.446  -7.037  -0.356
  150   3HG2  VAL  21          3HG2      VAL  21   7.717  -6.859  -0.660
  151    HA   PRO  22           HA       PRO  22  13.156  -9.928   0.142
  152   1HB   PRO  22          1HB       PRO  22  13.305 -11.675  -1.943
  153   2HB   PRO  22          2HB       PRO  22  13.069 -12.210  -0.252
  154   1HG   PRO  22          1HG       PRO  22  10.934 -11.780  -2.364
  155   2HG   PRO  22          2HG       PRO  22  11.170 -13.221  -1.332
  156   1HD   PRO  22          1HD       PRO  22   9.380 -11.281  -0.674
  157   2HD   PRO  22          2HD       PRO  22  10.354 -12.086   0.585
  158    H    SER  23           H        SER  23  14.378  -8.719  -1.411
  159    HA   SER  23           HA       SER  23  13.223  -6.749  -2.979
  160   1HB   SER  23          1HB       SER  23  15.794  -8.318  -3.394
  161   2HB   SER  23          2HB       SER  23  15.413  -6.825  -4.258
  162    HG   SER  23           HG       SER  23  15.495  -5.685  -2.434
  163    H    GLY  24           H        GLY  24  11.942  -6.825  -4.722
  164   1HA   GLY  24          1HA       GLY  24  11.641  -7.316  -7.038
  165   2HA   GLY  24          2HA       GLY  24  12.321  -8.929  -6.822
  166    H    GLU  25           H        GLU  25  10.425  -8.689  -4.124
  167    HA   GLU  25           HA       GLU  25   8.407 -10.367  -5.205
  168   1HB   GLU  25          1HB       GLU  25   9.252 -10.001  -2.751
  169   2HB   GLU  25          2HB       GLU  25   7.990  -8.758  -2.692
  170   1HG   GLU  25          1HG       GLU  25   7.674 -11.747  -3.316
  171   2HG   GLU  25          2HG       GLU  25   7.248 -10.969  -1.788
  172    H    LYS  26           H        LYS  26   6.390  -9.965  -6.018
  173    HA   LYS  26           HA       LYS  26   5.649  -7.219  -6.748
  174   1HB   LYS  26          1HB       LYS  26   4.550  -9.949  -7.534
  175   2HB   LYS  26          2HB       LYS  26   4.069  -8.375  -8.183
  176   1HG   LYS  26          1HG       LYS  26   6.456  -8.022  -8.952
  177   2HG   LYS  26          2HG       LYS  26   6.857  -9.632  -8.359
  178   1HD   LYS  26          1HD       LYS  26   6.533  -9.822 -10.699
  179   2HD   LYS  26          2HD       LYS  26   5.133 -10.595  -9.938
  180   1HE   LYS  26          1HE       LYS  26   3.759  -8.586 -10.402
  181   2HE   LYS  26          2HE       LYS  26   5.187  -7.729 -11.015
  182   1HZ   LYS  26          1HZ       LYS  26   3.856  -8.613 -12.768
  183   2HZ   LYS  26          2HZ       LYS  26   5.330  -9.347 -12.758
  184   3HZ   LYS  26          3HZ       LYS  26   4.006 -10.147 -12.188
  185    H    ILE  27           H        ILE  27   4.571  -6.185  -5.103
  186    HA   ILE  27           HA       ILE  27   2.830  -7.691  -3.291
  187    HB   ILE  27           HB       ILE  27   3.330  -4.706  -3.420
  188   1HG1  ILE  27          1HG1      ILE  27   4.789  -6.834  -1.773
  189   2HG1  ILE  27          2HG1      ILE  27   5.484  -5.941  -3.133
  190   1HG2  ILE  27          1HG2      ILE  27   2.345  -6.518  -1.171
  191   2HG2  ILE  27          2HG2      ILE  27   2.546  -4.758  -1.077
  192   3HG2  ILE  27          3HG2      ILE  27   1.315  -5.436  -2.130
  193   1HD1  ILE  27          1HD1      ILE  27   5.119  -3.799  -1.898
  194   2HD1  ILE  27          2HD1      ILE  27   4.668  -4.758  -0.468
  195   3HD1  ILE  27          3HD1      ILE  27   6.283  -4.919  -1.162
  196    H    VAL  28           H        VAL  28   0.626  -7.685  -3.424
  197    HA   VAL  28           HA       VAL  28  -0.744  -6.197  -5.628
  198    HB   VAL  28           HB       VAL  28  -1.294  -8.978  -4.515
  199   1HG1  VAL  28          1HG1      VAL  28  -2.645  -7.412  -6.760
  200   2HG1  VAL  28          2HG1      VAL  28  -2.941  -9.118  -6.373
  201   3HG1  VAL  28          3HG1      VAL  28  -3.384  -7.865  -5.210
  202   1HG2  VAL  28          1HG2      VAL  28  -0.184  -8.126  -7.216
  203   2HG2  VAL  28          2HG2      VAL  28   0.702  -9.000  -5.948
  204   3HG2  VAL  28          3HG2      VAL  28  -0.661  -9.773  -6.763
  205    H    PHE  29           H        PHE  29  -1.543  -4.483  -4.460
  206    HA   PHE  29           HA       PHE  29  -2.839  -4.935  -1.839
  207   1HB   PHE  29          1HB       PHE  29  -2.459  -2.454  -3.512
  208   2HB   PHE  29          2HB       PHE  29  -3.241  -2.503  -1.942
  209    HD1  PHE  29           HD1      PHE  29  -1.982  -2.942   0.126
  210    HD2  PHE  29           HD2      PHE  29  -0.043  -2.510  -3.696
  211    HE1  PHE  29           HE1      PHE  29   0.167  -2.439   1.280
  212    HE2  PHE  29           HE2      PHE  29   2.136  -2.136  -2.517
  213    HZ   PHE  29           HZ       PHE  29   2.224  -2.051  -0.056
  214    H    LYS  30           H        LYS  30  -4.819  -5.922  -1.999
  215    HA   LYS  30           HA       LYS  30  -6.614  -5.332  -4.307
  216   1HB   LYS  30          1HB       LYS  30  -5.819  -7.661  -3.909
  217   2HB   LYS  30          2HB       LYS  30  -6.599  -7.618  -2.327
  218   1HG   LYS  30          1HG       LYS  30  -8.818  -7.302  -3.406
  219   2HG   LYS  30          2HG       LYS  30  -8.022  -7.252  -4.988
  220   1HD   LYS  30          1HD       LYS  30  -7.218  -9.586  -4.652
  221   2HD   LYS  30          2HD       LYS  30  -7.973  -9.610  -3.050
  222   1HE   LYS  30          1HE       LYS  30  -9.433 -10.745  -4.623
  223   2HE   LYS  30          2HE       LYS  30 -10.211  -9.238  -4.117
  224   1HZ   LYS  30          1HZ       LYS  30 -10.355  -9.597  -6.473
  225   2HZ   LYS  30          2HZ       LYS  30  -9.461  -8.245  -6.177
  226   3HZ   LYS  30          3HZ       LYS  30  -8.716  -9.649  -6.618
  227    H    ASN  31           H        ASN  31  -8.529  -4.315  -4.029
  228    HA   ASN  31           HA       ASN  31  -9.315  -3.223  -1.468
  229   1HB   ASN  31          1HB       ASN  31 -10.532  -3.370  -4.260
  230   2HB   ASN  31          2HB       ASN  31 -11.559  -2.961  -2.885
  231   1HD2  ASN  31          1HD2      ASN  31 -10.744   0.338  -3.853
  232   2HD2  ASN  31          2HD2      ASN  31 -11.822  -0.987  -4.269
  233    H    ASN  32           H        ASN  32 -10.081  -4.453   0.190
  234    HA   ASN  32           HA       ASN  32 -11.726  -6.859  -0.452
  235   1HB   ASN  32          1HB       ASN  32  -9.886  -7.232   1.001
  236   2HB   ASN  32          2HB       ASN  32 -10.326  -5.904   2.063
  237   1HD2  ASN  32          1HD2      ASN  32 -11.970  -8.265   4.104
  238   2HD2  ASN  32          2HD2      ASN  32 -10.711  -7.035   3.956
  239    H    ALA  33           H        ALA  33 -11.781  -4.433   2.127
  240    HA   ALA  33           HA       ALA  33 -14.653  -3.821   1.604
  241   1HB   ALA  33          1HB       ALA  33 -13.564  -4.841   4.268
  242   2HB   ALA  33          2HB       ALA  33 -15.223  -4.282   3.966
  243   3HB   ALA  33          3HB       ALA  33 -14.623  -5.753   3.176
  244    H    GLY  34           H        GLY  34 -15.364  -1.955   3.065
  245   1HA   GLY  34          1HA       GLY  34 -15.063   0.176   3.834
  246   2HA   GLY  34          2HA       GLY  34 -13.502  -0.354   4.470
  247    H    PHE  35           H        PHE  35 -14.135  -0.591   1.039
  248    HA   PHE  35           HA       PHE  35 -12.028   1.290   0.244
  249   1HB   PHE  35          1HB       PHE  35 -12.657   0.475  -2.011
  250   2HB   PHE  35          2HB       PHE  35 -12.334  -0.798  -0.879
  251    HD1  PHE  35           HD2      PHE  35 -15.146   1.240  -2.253
  252    HD2  PHE  35           HD1      PHE  35 -13.851  -2.522  -0.593
  253    HE1  PHE  35           HE2      PHE  35 -17.471   0.342  -2.457
  254    HE2  PHE  35           HE1      PHE  35 -16.196  -3.368  -0.662
  255    HZ   PHE  35           HZ       PHE  35 -17.994  -1.950  -1.625
  256    HA   PRO  36           HA       PRO  36 -12.362   2.448  -2.344
  257   1HB   PRO  36          1HB       PRO  36 -12.080   5.385  -1.871
  258   2HB   PRO  36          2HB       PRO  36 -12.019   4.567  -3.451
  259   1HG   PRO  36          1HG       PRO  36 -14.257   5.877  -2.694
  260   2HG   PRO  36          2HG       PRO  36 -14.465   4.188  -3.265
  261   1HD   PRO  36          1HD       PRO  36 -14.182   5.145  -0.380
  262   2HD   PRO  36          2HD       PRO  36 -15.456   4.117  -1.093
  263    H    HIS  37           H        HIS  37 -10.062   2.720  -2.670
  264    HA   HIS  37           HA       HIS  37  -8.484   3.608  -0.367
  265   1HB   HIS  37          1HB       HIS  37  -8.430   0.783  -1.470
  266   2HB   HIS  37          2HB       HIS  37  -7.301   1.322  -0.268
  267    HD2  HIS  37           HD2      HIS  37 -10.048  -0.906  -0.488
  268    HE1  HIS  37           HE1      HIS  37 -10.409   0.540   3.467
  269    HE2  HIS  37           HE2      HIS  37 -10.942  -1.370   1.888
  270    H    ASN  38           H        ASN  38  -6.107   3.284  -0.792
  271    HA   ASN  38           HA       ASN  38  -5.135   2.877  -3.420
  272   1HB   ASN  38          1HB       ASN  38  -4.299   5.070  -3.883
  273   2HB   ASN  38          2HB       ASN  38  -6.037   5.243  -3.661
  274   1HD2  ASN  38          1HD2      ASN  38  -4.148   7.963  -1.819
  275   2HD2  ASN  38          2HD2      ASN  38  -4.201   7.430  -3.496
  276    H    VAL  39           H        VAL  39  -2.601   3.609  -3.128
  277    HA   VAL  39           HA       VAL  39  -1.783   3.204  -0.302
  278    HB   VAL  39           HB       VAL  39  -0.686   1.583  -2.641
  279   1HG1  VAL  39          1HG1      VAL  39   0.521   0.382  -0.861
  280   2HG1  VAL  39          2HG1      VAL  39   0.955   2.092  -0.837
  281   3HG1  VAL  39          3HG1      VAL  39  -0.181   1.449   0.370
  282   1HG2  VAL  39          1HG2      VAL  39  -2.659   0.859  -0.435
  283   2HG2  VAL  39          2HG2      VAL  39  -2.870   0.680  -2.190
  284   3HG2  VAL  39          3HG2      VAL  39  -1.718  -0.337  -1.327
  285    H    VAL  40           H        VAL  40  -0.670   5.011   0.095
  286    HA   VAL  40           HA       VAL  40   1.138   6.086  -2.014
  287    HB   VAL  40           HB       VAL  40  -0.344   7.569   0.192
  288   1HG1  VAL  40          1HG1      VAL  40   1.572   8.527  -1.987
  289   2HG1  VAL  40          2HG1      VAL  40   0.588   9.599  -0.973
  290   3HG1  VAL  40          3HG1      VAL  40   1.843   8.592  -0.239
  291   1HG2  VAL  40          1HG2      VAL  40  -1.492   8.695  -1.747
  292   2HG2  VAL  40          2HG2      VAL  40  -0.742   7.508  -2.834
  293   3HG2  VAL  40          3HG2      VAL  40  -1.889   6.978  -1.585
  294    H    PHE  41           H        PHE  41   3.228   6.228  -1.456
  295    HA   PHE  41           HA       PHE  41   4.011   5.081   1.162
  296   1HB   PHE  41          1HB       PHE  41   5.448   5.575  -1.443
  297   2HB   PHE  41          2HB       PHE  41   6.278   5.127   0.032
  298    HD1  PHE  41           HD2      PHE  41   3.919   3.897  -2.528
  299    HD2  PHE  41           HD1      PHE  41   5.968   2.966   1.121
  300    HE1  PHE  41           HE2      PHE  41   3.366   1.490  -2.834
  301    HE2  PHE  41           HE1      PHE  41   5.657   0.535   0.684
  302    HZ   PHE  41           HZ       PHE  41   4.284  -0.200  -1.257
  303    H    ASP  42           H        ASP  42   5.171   6.186   2.686
  304    HA   ASP  42           HA       ASP  42   4.965   9.075   2.678
  305   1HB   ASP  42          1HB       ASP  42   4.810   7.798   4.755
  306   2HB   ASP  42          2HB       ASP  42   6.440   7.148   4.501
  307    H    GLU  43           H        GLU  43   6.147  10.097   1.177
  308    HA   GLU  43           HA       GLU  43   8.541   9.369   0.024
  309   1HB   GLU  43          1HB       GLU  43   8.451  12.270   0.344
  310   2HB   GLU  43          2HB       GLU  43   8.417  11.277  -1.102
  311   1HG   GLU  43          1HG       GLU  43   6.442  12.577  -1.105
  312   2HG   GLU  43          2HG       GLU  43   5.906  10.953  -0.698
  313    H    ASP  44           H        ASP  44   8.146  10.816   3.208
  314    HA   ASP  44           HA       ASP  44  11.058  11.293   3.486
  315   1HB   ASP  44          1HB       ASP  44   8.723  11.832   5.362
  316   2HB   ASP  44          2HB       ASP  44  10.407  12.291   5.640
  317    H    GLU  45           H        GLU  45   9.333   8.488   3.631
  318    HA   GLU  45           HA       GLU  45  11.211   7.329   5.540
  319   1HB   GLU  45          1HB       GLU  45   9.188   8.223   6.832
  320   2HB   GLU  45          2HB       GLU  45   8.255   6.921   6.082
  321   1HG   GLU  45          1HG       GLU  45   9.698   5.250   7.145
  322   2HG   GLU  45          2HG       GLU  45  10.833   6.506   7.671
  323    H    ILE  46           H        ILE  46  11.679   6.862   3.220
  324    HA   ILE  46           HA       ILE  46  11.109   4.082   2.659
  325    HB   ILE  46           HB       ILE  46  10.741   4.611   0.223
  326   1HG1  ILE  46          1HG1      ILE  46  10.154   7.449   1.158
  327   2HG1  ILE  46          2HG1      ILE  46  11.556   6.942   0.213
  328   1HG2  ILE  46          1HG2      ILE  46   8.442   5.651   1.898
  329   2HG2  ILE  46          2HG2      ILE  46   8.410   4.856   0.313
  330   3HG2  ILE  46          3HG2      ILE  46   8.878   3.947   1.734
  331   1HD1  ILE  46          1HD1      ILE  46  10.015   7.854  -1.325
  332   2HD1  ILE  46          2HD1      ILE  46   9.983   6.099  -1.570
  333   3HD1  ILE  46          3HD1      ILE  46   8.662   6.904  -0.684
  334    HA   PRO  47           HA       PRO  47  15.440   4.534   1.584
  335   1HB   PRO  47          1HB       PRO  47  14.867   3.012  -0.967
  336   2HB   PRO  47          2HB       PRO  47  16.143   2.722   0.246
  337   1HG   PRO  47          1HG       PRO  47  13.949   1.142   0.166
  338   2HG   PRO  47          2HG       PRO  47  14.566   1.722   1.739
  339   1HD   PRO  47          1HD       PRO  47  12.271   2.887   0.130
  340   2HD   PRO  47          2HD       PRO  47  12.345   2.464   1.864
  341    H    ALA  48           H        ALA  48  15.857   6.627   1.008
  342    HA   ALA  48           HA       ALA  48  14.637   8.451  -0.454
  343   1HB   ALA  48          1HB       ALA  48  16.643   8.858   0.889
  344   2HB   ALA  48          2HB       ALA  48  17.658   8.099  -0.360
  345   3HB   ALA  48          3HB       ALA  48  16.793   9.612  -0.710
  346    H    GLY  49           H        GLY  49  16.901   6.169  -2.027
  347   1HA   GLY  49          1HA       GLY  49  17.010   7.378  -4.569
  348   2HA   GLY  49          2HA       GLY  49  17.244   5.657  -4.233
  349    H    VAL  50           H        VAL  50  14.420   5.352  -3.161
  350    HA   VAL  50           HA       VAL  50  13.217   4.849  -5.785
  351    HB   VAL  50           HB       VAL  50  12.179   4.178  -3.009
  352   1HG1  VAL  50          1HG1      VAL  50  10.406   4.185  -4.719
  353   2HG1  VAL  50          2HG1      VAL  50  11.429   3.240  -5.823
  354   3HG1  VAL  50          3HG1      VAL  50  10.834   2.512  -4.326
  355   1HG2  VAL  50          1HG2      VAL  50  14.339   3.048  -3.410
  356   2HG2  VAL  50          2HG2      VAL  50  13.005   1.898  -3.534
  357   3HG2  VAL  50          3HG2      VAL  50  13.777   2.513  -5.009
  358    H    ASP  51           H        ASP  51  12.285   6.568  -6.738
  359    HA   ASP  51           HA       ASP  51  11.161   8.827  -5.465
  360   1HB   ASP  51          1HB       ASP  51  11.773   8.918  -7.787
  361   2HB   ASP  51          2HB       ASP  51  10.706   7.562  -8.183
  362    H    ALA  52           H        ALA  52   9.473   8.858  -4.147
  363    HA   ALA  52           HA       ALA  52   7.688   6.899  -3.457
  364   1HB   ALA  52          1HB       ALA  52   6.309   8.655  -2.484
  365   2HB   ALA  52          2HB       ALA  52   8.028   8.990  -2.214
  366   3HB   ALA  52          3HB       ALA  52   7.139   9.890  -3.459
  367    H    VAL  53           H        VAL  53   7.314   9.299  -6.081
  368    HA   VAL  53           HA       VAL  53   4.593   8.772  -6.669
  369    HB   VAL  53           HB       VAL  53   6.798   9.768  -8.518
  370   1HG1  VAL  53          1HG1      VAL  53   4.910  10.875  -9.728
  371   2HG1  VAL  53          2HG1      VAL  53   4.851   9.117  -9.843
  372   3HG1  VAL  53          3HG1      VAL  53   3.764   9.966  -8.722
  373   1HG2  VAL  53          1HG2      VAL  53   4.821  11.271  -6.739
  374   2HG2  VAL  53          2HG2      VAL  53   6.579  11.198  -6.498
  375   3HG2  VAL  53          3HG2      VAL  53   5.921  12.020  -7.913
  376    H    LYS  54           H        LYS  54   7.508   6.917  -7.514
  377    HA   LYS  54           HA       LYS  54   6.164   5.464  -9.679
  378   1HB   LYS  54          1HB       LYS  54   8.743   4.890  -8.165
  379   2HB   LYS  54          2HB       LYS  54   8.148   3.992  -9.568
  380   1HG   LYS  54          1HG       LYS  54   8.204   6.038 -10.948
  381   2HG   LYS  54          2HG       LYS  54   8.792   6.970  -9.562
  382   1HD   LYS  54          1HD       LYS  54  10.801   5.472  -9.436
  383   2HD   LYS  54          2HD       LYS  54  10.212   4.595 -10.860
  384   1HE   LYS  54          1HE       LYS  54  10.336   6.674 -12.207
  385   2HE   LYS  54          2HE       LYS  54  10.903   7.572 -10.787
  386   1HZ   LYS  54          1HZ       LYS  54  12.819   6.149 -10.728
  387   2HZ   LYS  54          2HZ       LYS  54  12.290   5.311 -12.045
  388   3HZ   LYS  54          3HZ       LYS  54  12.699   6.900 -12.189
  389    H    ILE  55           H        ILE  55   6.914   4.888  -6.259
  390    HA   ILE  55           HA       ILE  55   5.766   2.201  -6.269
  391    HB   ILE  55           HB       ILE  55   6.113   2.244  -3.882
  392   1HG1  ILE  55          1HG1      ILE  55   7.627   4.847  -4.461
  393   2HG1  ILE  55          2HG1      ILE  55   6.107   4.715  -3.539
  394   1HG2  ILE  55          1HG2      ILE  55   8.538   2.795  -5.622
  395   2HG2  ILE  55          2HG2      ILE  55   8.474   1.834  -4.122
  396   3HG2  ILE  55          3HG2      ILE  55   7.647   1.258  -5.563
  397   1HD1  ILE  55          1HD1      ILE  55   7.821   4.700  -1.918
  398   2HD1  ILE  55          2HD1      ILE  55   7.340   2.986  -2.128
  399   3HD1  ILE  55          3HD1      ILE  55   8.831   3.603  -2.879
  400    H    SER  56           H        SER  56   4.616   5.441  -5.416
  401    HA   SER  56           HA       SER  56   2.274   4.479  -3.994
  402   1HB   SER  56          1HB       SER  56   2.955   7.207  -5.117
  403   2HB   SER  56          2HB       SER  56   1.644   6.859  -3.997
  404    HG   SER  56           HG       SER  56   4.446   6.651  -3.612
  405    H    MET  57           H        MET  57   0.201   4.301  -4.659
  406    HA   MET  57           HA       MET  57  -0.524   3.834  -7.352
  407   1HB   MET  57          1HB       MET  57  -1.800   2.990  -5.461
  408   2HB   MET  57          2HB       MET  57  -2.097   4.633  -4.876
  409   1HG   MET  57          1HG       MET  57  -4.085   3.720  -5.891
  410   2HG   MET  57          2HG       MET  57  -3.527   5.111  -6.822
  411   1HE   MET  57          1HE       MET  57  -5.750   2.952  -7.671
  412   2HE   MET  57          2HE       MET  57  -5.304   4.385  -8.627
  413   3HE   MET  57          3HE       MET  57  -5.343   2.780  -9.394
  414    HA   PRO  58           HA       PRO  58  -0.149   8.180  -8.662
  415   1HB   PRO  58          1HB       PRO  58  -2.163   7.192 -10.711
  416   2HB   PRO  58          2HB       PRO  58  -0.774   8.292 -10.951
  417   1HG   PRO  58          1HG       PRO  58  -0.528   5.672 -11.581
  418   2HG   PRO  58          2HG       PRO  58   0.774   6.462 -10.639
  419   1HD   PRO  58          1HD       PRO  58  -1.463   4.705  -9.609
  420   2HD   PRO  58          2HD       PRO  58   0.283   4.690  -9.205
  421    H    GLU  59           H        GLU  59  -1.104   9.425  -7.152
  422    HA   GLU  59           HA       GLU  59  -3.460   9.204  -5.847
  423   1HB   GLU  59          1HB       GLU  59  -1.892  11.740  -6.485
  424   2HB   GLU  59          2HB       GLU  59  -3.215  11.640  -5.327
  425   1HG   GLU  59          1HG       GLU  59  -1.275  11.451  -4.016
  426   2HG   GLU  59          2HG       GLU  59  -1.975   9.831  -4.082
  427    H    GLU  60           H        GLU  60  -3.204  10.544  -9.066
  428    HA   GLU  60           HA       GLU  60  -5.594  12.030  -9.145
  429   1HB   GLU  60          1HB       GLU  60  -3.732  11.960 -10.867
  430   2HB   GLU  60          2HB       GLU  60  -4.367  10.393 -11.411
  431   1HG   GLU  60          1HG       GLU  60  -6.530  11.491 -11.973
  432   2HG   GLU  60          2HG       GLU  60  -5.901  13.035 -11.380
  433    H    GLU  61           H        GLU  61  -5.016   8.532  -9.383
  434    HA   GLU  61           HA       GLU  61  -7.934   8.003  -9.549
  435   1HB   GLU  61          1HB       GLU  61  -7.079   5.797 -10.480
  436   2HB   GLU  61          2HB       GLU  61  -7.026   7.199 -11.562
  437   1HG   GLU  61          1HG       GLU  61  -4.631   7.443 -11.192
  438   2HG   GLU  61          2HG       GLU  61  -4.637   6.164  -9.969
  439    H    LEU  62           H        LEU  62  -8.609   6.097  -8.413
  440    HA   LEU  62           HA       LEU  62  -6.902   5.100  -6.219
  441   1HB   LEU  62          1HB       LEU  62  -9.618   6.457  -5.791
  442   2HB   LEU  62          2HB       LEU  62  -8.752   5.486  -4.612
  443    HG   LEU  62           HG       LEU  62  -6.792   7.273  -5.091
  444   1HD1  LEU  62          1HD1      LEU  62  -8.210   8.617  -6.729
  445   2HD1  LEU  62          2HD1      LEU  62  -9.371   8.890  -5.424
  446   3HD1  LEU  62          3HD1      LEU  62  -7.722   9.533  -5.303
  447   1HD2  LEU  62          1HD2      LEU  62  -7.559   8.457  -3.082
  448   2HD2  LEU  62          2HD2      LEU  62  -9.170   7.723  -3.253
  449   3HD2  LEU  62          3HD2      LEU  62  -7.756   6.707  -2.899
  450    H    LEU  63           H        LEU  63  -7.880   3.193  -5.228
  451    HA   LEU  63           HA       LEU  63  -9.294   1.511  -7.171
  452   1HB   LEU  63          1HB       LEU  63  -8.498   0.951  -4.297
  453   2HB   LEU  63          2HB       LEU  63  -8.992  -0.216  -5.532
  454    HG   LEU  63           HG       LEU  63  -6.437   1.441  -5.596
  455   1HD1  LEU  63          1HD1      LEU  63  -6.499  -0.223  -3.785
  456   2HD1  LEU  63          2HD1      LEU  63  -6.995  -1.482  -4.934
  457   3HD1  LEU  63          3HD1      LEU  63  -5.384  -0.753  -5.053
  458   1HD2  LEU  63          1HD2      LEU  63  -7.345  -0.879  -7.365
  459   2HD2  LEU  63          2HD2      LEU  63  -7.250   0.819  -7.887
  460   3HD2  LEU  63          3HD2      LEU  63  -5.784  -0.055  -7.447
  461    H    ASN  64           H        ASN  64 -11.341   2.402  -7.396
  462    HA   ASN  64           HA       ASN  64 -12.864   3.358  -5.113
  463   1HB   ASN  64          1HB       ASN  64 -14.559   3.941  -6.738
  464   2HB   ASN  64          2HB       ASN  64 -12.965   4.576  -7.173
  465   1HD2  ASN  64          1HD2      ASN  64 -14.633   3.157 -10.236
  466   2HD2  ASN  64          2HD2      ASN  64 -15.114   4.355  -9.051
  467    H    ALA  65           H        ALA  65 -13.452   0.749  -7.504
  468    HA   ALA  65           HA       ALA  65 -15.722  -0.261  -5.990
  469   1HB   ALA  65          1HB       ALA  65 -15.716  -1.951  -7.911
  470   2HB   ALA  65          2HB       ALA  65 -15.722  -0.254  -8.421
  471   3HB   ALA  65          3HB       ALA  65 -14.228  -1.202  -8.480
  472    HA   PRO  66           HA       PRO  66 -13.650  -3.456  -3.614
  473   1HB   PRO  66          1HB       PRO  66 -15.292  -5.647  -3.870
  474   2HB   PRO  66          2HB       PRO  66 -15.715  -4.230  -2.883
  475   1HG   PRO  66          1HG       PRO  66 -16.556  -4.803  -5.735
  476   2HG   PRO  66          2HG       PRO  66 -17.602  -4.329  -4.361
  477   1HD   PRO  66          1HD       PRO  66 -16.771  -2.492  -6.123
  478   2HD   PRO  66          2HD       PRO  66 -16.740  -2.097  -4.391
  479    H    GLY  67           H        GLY  67 -12.438  -5.530  -3.944
  480   1HA   GLY  67          1HA       GLY  67 -11.446  -7.174  -5.184
  481   2HA   GLY  67          2HA       GLY  67 -12.478  -6.801  -6.567
  482    H    GLU  68           H        GLU  68 -11.727  -4.017  -6.843
  483    HA   GLU  68           HA       GLU  68  -9.698  -4.056  -8.657
  484   1HB   GLU  68          1HB       GLU  68 -10.331  -1.832  -6.673
  485   2HB   GLU  68          2HB       GLU  68  -9.388  -1.616  -8.154
  486   1HG   GLU  68          1HG       GLU  68 -12.309  -2.494  -8.026
  487   2HG   GLU  68          2HG       GLU  68 -11.718  -0.884  -8.446
  488    H    THR  69           H        THR  69  -7.506  -4.234  -8.740
  489    HA   THR  69           HA       THR  69  -5.995  -4.463  -6.210
  490    HB   THR  69           HB       THR  69  -4.459  -5.754  -7.856
  491    HG1  THR  69           HG1      THR  69  -5.658  -6.574  -9.654
  492   1HG2  THR  69          1HG2      THR  69  -7.220  -6.889  -7.268
  493   2HG2  THR  69          2HG2      THR  69  -5.754  -7.821  -7.631
  494   3HG2  THR  69          3HG2      THR  69  -5.843  -6.871  -6.139
  495    OH   TYR  70           OH       TYR  70   1.978   1.902  -7.335
  496    H    TYR  70           H        TYR  70  -3.968  -3.523  -6.046
  497    HA   TYR  70           HA       TYR  70  -2.970  -1.802  -8.269
  498   1HB   TYR  70          1HB       TYR  70  -3.717  -0.275  -6.506
  499   2HB   TYR  70          2HB       TYR  70  -2.903  -1.224  -5.277
  500    HD1  TYR  70           HD1      TYR  70  -2.040   0.281  -8.636
  501    HD2  TYR  70           HD2      TYR  70  -0.896  -0.210  -4.501
  502    HE1  TYR  70           HE1      TYR  70   0.104   1.421  -9.089
  503    HE2  TYR  70           HE2      TYR  70   1.218   0.992  -4.953
  504    HH   TYR  70           HH       TYR  70   2.539   2.004  -6.559
  505    H    VAL  71           H        VAL  71  -1.213  -2.876  -9.023
  506    HA   VAL  71           HA       VAL  71   0.257  -4.665  -7.188
  507    HB   VAL  71           HB       VAL  71   0.411  -4.512 -10.213
  508   1HG1  VAL  71          1HG1      VAL  71   2.378  -5.558  -9.168
  509   2HG1  VAL  71          2HG1      VAL  71   1.331  -6.562  -8.145
  510   3HG1  VAL  71          3HG1      VAL  71   1.374  -6.814  -9.905
  511   1HG2  VAL  71          1HG2      VAL  71  -1.878  -5.156  -9.614
  512   2HG2  VAL  71          2HG2      VAL  71  -0.993  -6.590 -10.144
  513   3HG2  VAL  71          3HG2      VAL  71  -1.267  -6.312  -8.413
  514    H    VAL  72           H        VAL  72   2.410  -4.288  -6.664
  515    HA   VAL  72           HA       VAL  72   3.978  -2.362  -8.221
  516    HB   VAL  72           HB       VAL  72   2.820  -0.877  -6.693
  517   1HG1  VAL  72          1HG1      VAL  72   3.056  -0.984  -4.284
  518   2HG1  VAL  72          2HG1      VAL  72   2.287  -2.470  -4.871
  519   3HG1  VAL  72          3HG1      VAL  72   4.000  -2.481  -4.386
  520   1HG2  VAL  72          1HG2      VAL  72   4.737   0.189  -5.617
  521   2HG2  VAL  72          2HG2      VAL  72   5.720  -1.263  -5.835
  522   3HG2  VAL  72          3HG2      VAL  72   5.155  -0.348  -7.255
  523    H    THR  73           H        THR  73   6.171  -2.792  -8.076
  524    HA   THR  73           HA       THR  73   6.930  -5.225  -6.511
  525    HB   THR  73           HB       THR  73   8.156  -4.124  -9.071
  526    HG1  THR  73           HG1      THR  73   5.969  -4.870  -9.308
  527   1HG2  THR  73          1HG2      THR  73   9.664  -5.580  -7.737
  528   2HG2  THR  73          2HG2      THR  73   8.384  -6.811  -7.655
  529   3HG2  THR  73          3HG2      THR  73   9.128  -6.405  -9.214
  530    H    LEU  74           H        LEU  74   8.450  -4.892  -4.931
  531    HA   LEU  74           HA       LEU  74   9.956  -2.293  -4.959
  532   1HB   LEU  74          1HB       LEU  74   9.345  -4.053  -2.575
  533   2HB   LEU  74          2HB       LEU  74  10.118  -2.454  -2.619
  534    HG   LEU  74           HG       LEU  74   7.204  -3.042  -3.273
  535   1HD1  LEU  74          1HD1      LEU  74   7.833  -3.151  -0.852
  536   2HD1  LEU  74          2HD1      LEU  74   8.504  -1.514  -0.968
  537   3HD1  LEU  74          3HD1      LEU  74   6.766  -1.780  -1.211
  538   1HD2  LEU  74          1HD2      LEU  74   6.983  -0.544  -3.319
  539   2HD2  LEU  74          2HD2      LEU  74   8.753  -0.413  -3.236
  540   3HD2  LEU  74          3HD2      LEU  74   7.973  -1.154  -4.650
  541    H    ASP  75           H        ASP  75  12.059  -2.431  -5.319
  542    HA   ASP  75           HA       ASP  75  13.436  -5.085  -5.141
  543   1HB   ASP  75          1HB       ASP  75  13.919  -2.654  -6.899
  544   2HB   ASP  75          2HB       ASP  75  15.034  -4.019  -6.750
  545    H    THR  76           H        THR  76  13.979  -1.545  -4.492
  546    HA   THR  76           HA       THR  76  16.532  -1.983  -3.340
  547    HB   THR  76           HB       THR  76  14.603   0.289  -2.717
  548    HG1  THR  76           HG1      THR  76  16.219  -0.124  -5.012
  549   1HG2  THR  76          1HG2      THR  76  17.639   0.199  -3.003
  550   2HG2  THR  76          2HG2      THR  76  16.658   1.646  -2.691
  551   3HG2  THR  76          3HG2      THR  76  16.733   0.354  -1.479
  552    H    LYS  77           H        LYS  77  17.091  -2.691  -1.325
  553    HA   LYS  77           HA       LYS  77  15.115  -3.733   0.460
  554   1HB   LYS  77          1HB       LYS  77  18.104  -3.294   0.781
  555   2HB   LYS  77          2HB       LYS  77  17.081  -4.198   1.915
  556   1HG   LYS  77          1HG       LYS  77  16.522  -5.855   0.219
  557   2HG   LYS  77          2HG       LYS  77  17.307  -4.912  -1.044
  558   1HD   LYS  77          1HD       LYS  77  18.722  -6.748  -0.450
  559   2HD   LYS  77          2HD       LYS  77  19.509  -5.225  -0.011
  560   1HE   LYS  77          1HE       LYS  77  18.902  -5.569   2.363
  561   2HE   LYS  77          2HE       LYS  77  18.010  -7.043   1.931
  562   1HZ   LYS  77          1HZ       LYS  77  20.184  -7.524   2.757
  563   2HZ   LYS  77          2HZ       LYS  77  20.065  -7.989   1.180
  564   3HZ   LYS  77          3HZ       LYS  77  20.892  -6.619   1.577
  565    H    GLY  78           H        GLY  78  14.750  -3.111   2.681
  566   1HA   GLY  78          1HA       GLY  78  15.354  -1.419   4.444
  567   2HA   GLY  78          2HA       GLY  78  15.059  -0.165   3.231
  568    H    THR  79           H        THR  79  13.601   0.207   5.368
  569    HA   THR  79           HA       THR  79  10.991  -1.111   5.145
  570    HB   THR  79           HB       THR  79  12.108   0.783   7.223
  571    HG1  THR  79           HG1      THR  79  11.604  -2.020   7.305
  572   1HG2  THR  79          1HG2      THR  79  10.166  -0.026   8.570
  573   2HG2  THR  79          2HG2      THR  79   9.649   0.913   7.162
  574   3HG2  THR  79          3HG2      THR  79   9.528  -0.860   7.139
  575    OH   TYR  80           OH       TYR  80  12.113  -0.249  -2.138
  576    H    TYR  80           H        TYR  80   9.403  -0.245   4.179
  577    HA   TYR  80           HA       TYR  80   9.404   2.627   3.364
  578   1HB   TYR  80          1HB       TYR  80   8.092   0.168   2.120
  579   2HB   TYR  80          2HB       TYR  80   7.830   1.815   1.592
  580    HD1  TYR  80           HD1      TYR  80  10.651  -0.618   2.121
  581    HD2  TYR  80           HD2      TYR  80   8.867   2.389  -0.390
  582    HE1  TYR  80           HE1      TYR  80  12.270  -1.139   0.361
  583    HE2  TYR  80           HE2      TYR  80  10.345   1.695  -2.243
  584    HH   TYR  80           HH       TYR  80  12.714  -0.951  -1.861
  585    H    SER  81           H        SER  81   7.893   3.803   4.498
  586    HA   SER  81           HA       SER  81   5.631   2.364   5.794
  587   1HB   SER  81          1HB       SER  81   6.572   5.239   5.961
  588   2HB   SER  81          2HB       SER  81   5.243   4.527   6.901
  589    HG   SER  81           HG       SER  81   7.394   4.537   7.923
  590    H    PHE  82           H        PHE  82   3.447   2.636   5.162
  591    HA   PHE  82           HA       PHE  82   2.891   4.558   2.998
  592   1HB   PHE  82          1HB       PHE  82   1.702   2.850   1.679
  593   2HB   PHE  82          2HB       PHE  82   3.392   2.560   1.777
  594    HD1  PHE  82           HD2      PHE  82   0.096   1.576   3.242
  595    HD2  PHE  82           HD1      PHE  82   4.203   0.338   2.626
  596    HE1  PHE  82           HE2      PHE  82  -0.372  -0.588   4.312
  597    HE2  PHE  82           HE1      PHE  82   3.662  -1.848   3.601
  598    HZ   PHE  82           HZ       PHE  82   1.402  -2.300   4.521
  599    OH   TYR  83           OH       TYR  83   1.217  10.576   1.627
  600    H    TYR  83           H        TYR  83   0.630   4.716   2.472
  601    HA   TYR  83           HA       TYR  83  -1.270   4.100   4.618
  602   1HB   TYR  83          1HB       TYR  83  -1.829   6.479   5.001
  603   2HB   TYR  83          2HB       TYR  83  -0.188   6.083   5.504
  604    HD1  TYR  83           HD2      TYR  83   1.781   6.928   4.283
  605    HD2  TYR  83           HD1      TYR  83  -2.222   7.984   3.083
  606    HE1  TYR  83           HE2      TYR  83   2.674   8.815   2.969
  607    HE2  TYR  83           HE1      TYR  83  -1.321   9.941   1.835
  608    HH   TYR  83           HH       TYR  83   2.177  10.626   1.630
  609    H    CYS  84           H        CYS  84  -3.441   4.616   4.170
  610    HA   CYS  84           HA       CYS  84  -4.098   4.739   1.242
  611   1HB   CYS  84          1HB       CYS  84  -5.115   2.824   2.397
  612   2HB   CYS  84          2HB       CYS  84  -5.605   3.880   3.735
  613    H    SER  85           H        SER  85  -4.159   6.880   0.686
  614    HA   SER  85           HA       SER  85  -4.324   8.927   2.412
  615   1HB   SER  85          1HB       SER  85  -5.425   9.486  -0.321
  616   2HB   SER  85          2HB       SER  85  -4.259  10.361   0.657
  617    HG   SER  85           HG       SER  85  -2.759   8.721   0.278
  618    HA   PRO  86           HA       PRO  86  -9.132   9.568   1.834
  619   1HB   PRO  86          1HB       PRO  86  -9.830   6.645   1.501
  620   2HB   PRO  86          2HB       PRO  86 -10.719   8.078   0.915
  621   1HG   PRO  86          1HG       PRO  86  -9.168   6.675  -0.797
  622   2HG   PRO  86          2HG       PRO  86  -9.085   8.464  -0.795
  623   1HD   PRO  86          1HD       PRO  86  -7.196   6.517   0.538
  624   2HD   PRO  86          2HD       PRO  86  -6.824   7.920  -0.475
  625    H    HIS  87           H        HIS  87  -7.430   6.994   3.572
  626    HA   HIS  87           HA       HIS  87  -9.181   7.468   5.951
  627   1HB   HIS  87          1HB       HIS  87  -8.078   4.830   4.967
  628   2HB   HIS  87          2HB       HIS  87  -9.018   5.066   6.442
  629    HD2  HIS  87           HD2      HIS  87 -11.550   6.487   5.719
  630    HE1  HIS  87           HE1      HIS  87 -12.056   3.939   2.365
  631    HE2  HIS  87           HE2      HIS  87 -13.216   5.551   3.933
  632    H    GLN  88           H        GLN  88  -6.381   8.417   4.906
  633    HA   GLN  88           HA       GLN  88  -4.433   7.233   6.602
  634   1HB   GLN  88          1HB       GLN  88  -3.915   8.603   4.681
  635   2HB   GLN  88          2HB       GLN  88  -4.595  10.049   5.428
  636   1HG   GLN  88          1HG       GLN  88  -2.281   8.463   6.654
  637   2HG   GLN  88          2HG       GLN  88  -2.021   9.721   5.445
  638   1HE2  GLN  88          1HE2      GLN  88  -3.073  12.416   7.644
  639   2HE2  GLN  88          2HE2      GLN  88  -3.305  11.893   5.984
  640    H    GLY  89           H        GLY  89  -6.483  10.135   7.037
  641   1HA   GLY  89          1HA       GLY  89  -5.732  10.836   9.656
  642   2HA   GLY  89          2HA       GLY  89  -7.314  11.155   8.919
  643    H    ALA  90           H        ALA  90  -7.879   8.241   8.515
  644    HA   ALA  90           HA       ALA  90  -8.945   7.674  11.186
  645   1HB   ALA  90          1HB       ALA  90 -10.197   5.921  10.061
  646   2HB   ALA  90          2HB       ALA  90 -10.346   7.441   9.160
  647   3HB   ALA  90          3HB       ALA  90  -9.265   6.157   8.572
  648    H    GLY  91           H        GLY  91  -5.909   7.206   9.981
  649   1HA   GLY  91          1HA       GLY  91  -4.226   5.997  10.917
  650   2HA   GLY  91          2HA       GLY  91  -5.374   5.023  11.837
  651    H    MET  92           H        MET  92  -6.017   5.204   8.359
  652    HA   MET  92           HA       MET  92  -5.339   2.365   8.189
  653   1HB   MET  92          1HB       MET  92  -7.346   3.326   7.098
  654   2HB   MET  92          2HB       MET  92  -6.274   4.175   5.956
  655   1HG   MET  92          1HG       MET  92  -5.421   2.063   5.111
  656   2HG   MET  92          2HG       MET  92  -6.120   1.186   6.461
  657   1HE   MET  92          1HE       MET  92  -6.231   0.002   3.670
  658   2HE   MET  92          2HE       MET  92  -6.871  -0.676   5.182
  659   3HE   MET  92          3HE       MET  92  -7.898  -0.621   3.740
  660    H    VAL  93           H        VAL  93  -3.140   2.591   8.738
  661    HA   VAL  93           HA       VAL  93  -1.346   3.285   6.473
  662    HB   VAL  93           HB       VAL  93   0.288   4.145   7.981
  663   1HG1  VAL  93          1HG1      VAL  93  -0.754   6.172   8.724
  664   2HG1  VAL  93          2HG1      VAL  93  -1.615   5.674   7.256
  665   3HG1  VAL  93          3HG1      VAL  93  -2.348   5.410   8.844
  666   1HG2  VAL  93          1HG2      VAL  93  -0.127   4.398  10.404
  667   2HG2  VAL  93          2HG2      VAL  93  -1.641   3.488  10.248
  668   3HG2  VAL  93          3HG2      VAL  93  -0.082   2.692   9.936
  669    H    GLY  94           H        GLY  94   0.860   2.194   6.700
  670   1HA   GLY  94          1HA       GLY  94   1.054  -0.217   8.244
  671   2HA   GLY  94          2HA       GLY  94   0.618  -0.577   6.566
  672    H    LYS  95           H        LYS  95   2.993  -1.593   7.090
  673    HA   LYS  95           HA       LYS  95   4.918   0.188   5.778
  674   1HB   LYS  95          1HB       LYS  95   5.617  -1.172   8.409
  675   2HB   LYS  95          2HB       LYS  95   6.657  -0.137   7.431
  676   1HG   LYS  95          1HG       LYS  95   5.081   1.783   7.940
  677   2HG   LYS  95          2HG       LYS  95   4.217   0.703   9.057
  678   1HD   LYS  95          1HD       LYS  95   6.396   0.300  10.261
  679   2HD   LYS  95          2HD       LYS  95   7.156   1.507   9.207
  680   1HE   LYS  95          1HE       LYS  95   4.846   2.004  11.146
  681   2HE   LYS  95          2HE       LYS  95   6.535   2.488  11.375
  682   1HZ   LYS  95          1HZ       LYS  95   6.318   3.836   9.377
  683   2HZ   LYS  95          2HZ       LYS  95   4.720   3.462   9.285
  684   3HZ   LYS  95          3HZ       LYS  95   5.289   4.309  10.579
  685    H    VAL  96           H        VAL  96   6.623  -0.961   4.774
  686    HA   VAL  96           HA       VAL  96   6.495  -3.919   4.973
  687    HB   VAL  96           HB       VAL  96   5.114  -3.460   3.171
  688   1HG1  VAL  96          1HG1      VAL  96   5.989  -1.140   2.545
  689   2HG1  VAL  96          2HG1      VAL  96   7.345  -1.954   1.737
  690   3HG1  VAL  96          3HG1      VAL  96   5.687  -2.214   1.171
  691   1HG2  VAL  96          1HG2      VAL  96   7.777  -4.339   2.054
  692   2HG2  VAL  96          2HG2      VAL  96   6.618  -5.363   2.950
  693   3HG2  VAL  96          3HG2      VAL  96   6.161  -4.650   1.388
  694    H    THR  97           H        THR  97   8.371  -4.769   5.239
  695    HA   THR  97           HA       THR  97  10.836  -3.140   4.768
  696    HB   THR  97           HB       THR  97  10.360  -5.446   6.638
  697    HG1  THR  97           HG1      THR  97  10.215  -3.881   8.085
  698   1HG2  THR  97          1HG2      THR  97  12.698  -5.520   5.837
  699   2HG2  THR  97          2HG2      THR  97  12.863  -3.771   6.103
  700   3HG2  THR  97          3HG2      THR  97  12.649  -4.869   7.481
  701    H    VAL  98           H        VAL  98  11.624  -3.405   2.825
  702    HA   VAL  98           HA       VAL  98  11.412  -5.935   1.430
  703    HB   VAL  98           HB       VAL  98  12.873  -3.391   0.696
  704   1HG1  VAL  98          1HG1      VAL  98  12.029  -5.812  -0.977
  705   2HG1  VAL  98          2HG1      VAL  98  12.752  -4.324  -1.618
  706   3HG1  VAL  98          3HG1      VAL  98  13.702  -5.386  -0.567
  707   1HG2  VAL  98          1HG2      VAL  98  10.925  -2.964  -0.710
  708   2HG2  VAL  98          2HG2      VAL  98  10.116  -4.425  -0.108
  709   3HG2  VAL  98          3HG2      VAL  98  10.418  -3.048   0.972
  710    H    ASN  99           H        ASN  99  12.881  -7.550   1.673
  711    HA   ASN  99           HA       ASN  99  15.663  -6.993   2.591
  712   1HB   ASN  99          1HB       ASN  99  15.509  -8.782   4.241
  713   2HB   ASN  99          2HB       ASN  99  14.349  -7.494   4.589
  714   1HD2  ASN  99          1HD2      ASN  99  12.148 -10.264   5.150
  715   2HD2  ASN  99          2HD2      ASN  99  13.206  -9.109   5.936
   
  Start of MODEL          15
 Raw file had 715 H/Q atoms
  Start of MODEL   15
    1    H    LEU   1           H        LEU   1   3.203  -9.934  -2.613
    2    HA   LEU   1           HA       LEU   1   2.208 -11.884  -0.960
    3   1HB   LEU   1          1HB       LEU   1   2.833  -9.373   0.659
    4   2HB   LEU   1          2HB       LEU   1   1.593 -10.533   1.126
    5    HG   LEU   1           HG       LEU   1   3.322 -12.349   1.185
    6   1HD1  LEU   1          1HD1      LEU   1   5.132 -11.397  -0.153
    7   2HD1  LEU   1          2HD1      LEU   1   5.242  -9.986   0.923
    8   3HD1  LEU   1          3HD1      LEU   1   5.702 -11.600   1.503
    9   1HD2  LEU   1          1HD2      LEU   1   2.476 -11.224   3.205
   10   2HD2  LEU   1          2HD2      LEU   1   4.196 -11.613   3.385
   11   3HD2  LEU   1          3HD2      LEU   1   3.696  -9.948   3.022
   12    H    GLU   2           H        GLU   2  -0.082 -11.726  -0.576
   13    HA   GLU   2           HA       GLU   2  -1.423  -9.675  -2.225
   14   1HB   GLU   2          1HB       GLU   2  -1.977 -12.092  -2.501
   15   2HB   GLU   2          2HB       GLU   2  -2.574 -12.118  -0.827
   16   1HG   GLU   2          1HG       GLU   2  -4.253 -10.373  -1.407
   17   2HG   GLU   2          2HG       GLU   2  -3.614 -10.298  -3.057
   18    H    VAL   3           H        VAL   3  -2.008  -7.832  -1.193
   19    HA   VAL   3           HA       VAL   3  -2.470  -7.878   1.756
   20    HB   VAL   3           HB       VAL   3  -1.818  -5.539  -0.075
   21   1HG1  VAL   3          1HG1      VAL   3  -2.025  -5.772   2.957
   22   2HG1  VAL   3          2HG1      VAL   3  -1.422  -4.353   2.087
   23   3HG1  VAL   3          3HG1      VAL   3  -3.112  -4.847   1.902
   24   1HG2  VAL   3          1HG2      VAL   3  -0.007  -6.997   1.889
   25   2HG2  VAL   3          2HG2      VAL   3   0.121  -7.055   0.121
   26   3HG2  VAL   3          3HG2      VAL   3   0.384  -5.529   0.976
   27    H    LEU   4           H        LEU   4  -4.562  -7.772   2.387
   28    HA   LEU   4           HA       LEU   4  -6.628  -7.029   0.396
   29   1HB   LEU   4          1HB       LEU   4  -6.899  -7.928   3.278
   30   2HB   LEU   4          2HB       LEU   4  -8.210  -7.659   2.142
   31    HG   LEU   4           HG       LEU   4  -6.070  -9.820   2.029
   32   1HD1  LEU   4          1HD1      LEU   4  -8.007 -10.158   3.557
   33   2HD1  LEU   4          2HD1      LEU   4  -9.118  -9.917   2.188
   34   3HD1  LEU   4          3HD1      LEU   4  -8.020 -11.314   2.211
   35   1HD2  LEU   4          1HD2      LEU   4  -8.158  -9.108  -0.080
   36   2HD2  LEU   4          2HD2      LEU   4  -6.390  -9.162  -0.288
   37   3HD2  LEU   4          3HD2      LEU   4  -7.288 -10.653  -0.012
   38    H    LEU   5           H        LEU   5  -7.240  -4.945   0.125
   39    HA   LEU   5           HA       LEU   5  -6.397  -2.921   1.915
   40   1HB   LEU   5          1HB       LEU   5  -6.860  -3.253  -0.826
   41   2HB   LEU   5          2HB       LEU   5  -8.353  -2.473  -0.317
   42    HG   LEU   5           HG       LEU   5  -7.138  -0.710   0.573
   43   1HD1  LEU   5          1HD1      LEU   5  -4.626  -0.452  -0.037
   44   2HD1  LEU   5          2HD1      LEU   5  -5.060  -1.404   1.375
   45   3HD1  LEU   5          3HD1      LEU   5  -4.661  -2.232  -0.153
   46   1HD2  LEU   5          1HD2      LEU   5  -6.008  -1.409  -2.197
   47   2HD2  LEU   5          2HD2      LEU   5  -7.662  -0.808  -1.952
   48   3HD2  LEU   5          3HD2      LEU   5  -6.263   0.238  -1.599
   49    H    GLY   6           H        GLY   6  -7.420  -3.049   3.857
   50   1HA   GLY   6          1HA       GLY   6  -9.161  -2.357   5.253
   51   2HA   GLY   6          2HA       GLY   6 -10.339  -2.578   3.974
   52    H    SER   7           H        SER   7 -10.246  -3.731   6.779
   53    HA   SER   7           HA       SER   7  -9.765  -6.562   6.431
   54   1HB   SER   7          1HB       SER   7 -10.675  -6.671   8.740
   55   2HB   SER   7          2HB       SER   7  -9.386  -5.470   8.600
   56    HG   SER   7           HG       SER   7 -11.043  -3.861   8.400
   57    H    GLY   8           H        GLY   8 -11.373  -8.059   6.595
   58   1HA   GLY   8          1HA       GLY   8 -13.604  -7.907   4.874
   59   2HA   GLY   8          2HA       GLY   8 -13.406  -9.130   6.143
   60    H    ASP   9           H        ASP   9 -13.400  -7.287   8.364
   61    HA   ASP   9           HA       ASP   9 -16.257  -7.020   8.767
   62   1HB   ASP   9          1HB       ASP   9 -15.651  -6.286  11.000
   63   2HB   ASP   9          2HB       ASP   9 -14.727  -7.726  10.564
   64    H    GLY  10           H        GLY  10 -14.102  -4.985   7.132
   65   1HA   GLY  10          1HA       GLY  10 -14.863  -3.021   6.111
   66   2HA   GLY  10          2HA       GLY  10 -15.945  -2.670   7.457
   67    H    SER  11           H        SER  11 -13.445  -3.404   9.329
   68    HA   SER  11           HA       SER  11 -12.765  -0.726   9.787
   69   1HB   SER  11          1HB       SER  11 -12.496  -2.419  11.490
   70   2HB   SER  11          2HB       SER  11 -11.133  -3.154  10.621
   71    HG   SER  11           HG       SER  11 -11.307  -0.642  11.894
   72    H    LEU  12           H        LEU  12 -11.322   0.622   9.072
   73    HA   LEU  12           HA       LEU  12 -10.050   0.252   6.546
   74   1HB   LEU  12          1HB       LEU  12  -9.896   2.508   8.614
   75   2HB   LEU  12          2HB       LEU  12  -9.443   2.610   6.914
   76    HG   LEU  12           HG       LEU  12 -11.455   3.689   7.170
   77   1HD1  LEU  12          1HD1      LEU  12 -12.215   0.994   5.981
   78   2HD1  LEU  12          2HD1      LEU  12 -12.913   2.573   5.583
   79   3HD1  LEU  12          3HD1      LEU  12 -11.224   2.216   5.158
   80   1HD2  LEU  12          1HD2      LEU  12 -12.292   2.669   9.281
   81   2HD2  LEU  12          2HD2      LEU  12 -13.490   3.044   8.029
   82   3HD2  LEU  12          3HD2      LEU  12 -13.010   1.371   8.282
   83    H    VAL  13           H        VAL  13  -8.751  -1.635   7.376
   84    HA   VAL  13           HA       VAL  13  -6.032  -0.622   8.087
   85    HB   VAL  13           HB       VAL  13  -5.647  -2.583   9.496
   86   1HG1  VAL  13          1HG1      VAL  13  -6.821  -1.797  11.471
   87   2HG1  VAL  13          2HG1      VAL  13  -6.331  -0.405  10.491
   88   3HG1  VAL  13          3HG1      VAL  13  -8.023  -0.949  10.485
   89   1HG2  VAL  13          1HG2      VAL  13  -8.646  -3.107   9.301
   90   2HG2  VAL  13          2HG2      VAL  13  -7.360  -4.139   8.632
   91   3HG2  VAL  13          3HG2      VAL  13  -7.506  -3.923  10.379
   92    H    PHE  14           H        PHE  14  -4.361  -1.578   6.984
   93    HA   PHE  14           HA       PHE  14  -5.054  -3.155   4.600
   94   1HB   PHE  14          1HB       PHE  14  -2.401  -2.292   5.826
   95   2HB   PHE  14          2HB       PHE  14  -2.549  -3.204   4.342
   96    HD1  PHE  14           HD1      PHE  14  -3.162   0.095   5.950
   97    HD2  PHE  14           HD2      PHE  14  -2.824  -2.091   2.241
   98    HE1  PHE  14           HE1      PHE  14  -2.873   2.203   4.704
   99    HE2  PHE  14           HE2      PHE  14  -2.442   0.013   1.054
  100    HZ   PHE  14           HZ       PHE  14  -2.622   2.181   2.225
  101    H    VAL  15           H        VAL  15  -4.872  -5.440   4.519
  102    HA   VAL  15           HA       VAL  15  -3.748  -6.770   6.974
  103    HB   VAL  15           HB       VAL  15  -6.032  -7.707   5.246
  104   1HG1  VAL  15          1HG1      VAL  15  -6.293  -9.414   7.015
  105   2HG1  VAL  15          2HG1      VAL  15  -4.723  -9.568   6.220
  106   3HG1  VAL  15          3HG1      VAL  15  -4.833  -8.809   7.824
  107   1HG2  VAL  15          1HG2      VAL  15  -5.997  -6.478   8.030
  108   2HG2  VAL  15          2HG2      VAL  15  -6.770  -5.805   6.576
  109   3HG2  VAL  15          3HG2      VAL  15  -7.391  -7.293   7.294
  110    HA   PRO  16           HA       PRO  16  -1.801  -7.539   7.462
  111   1HB   PRO  16          1HB       PRO  16   0.873  -7.504   7.032
  112   2HB   PRO  16          2HB       PRO  16  -0.073  -9.011   7.098
  113   1HG   PRO  16          1HG       PRO  16   0.763  -7.458   4.623
  114   2HG   PRO  16          2HG       PRO  16   0.985  -9.205   4.935
  115   1HD   PRO  16          1HD       PRO  16  -1.108  -8.254   3.484
  116   2HD   PRO  16          2HD       PRO  16  -1.337  -9.622   4.596
  117    H    SER  17           H        SER  17  -0.606  -5.756   8.470
  118    HA   SER  17           HA       SER  17  -0.769  -3.198   7.000
  119   1HB   SER  17          1HB       SER  17  -0.554  -2.389   9.419
  120   2HB   SER  17          2HB       SER  17  -2.018  -3.322   9.042
  121    HG   SER  17           HG       SER  17  -1.018  -4.111  10.951
  122    H    GLU  18           H        GLU  18   1.259  -4.756   9.415
  123    HA   GLU  18           HA       GLU  18   3.744  -3.466   8.368
  124   1HB   GLU  18          1HB       GLU  18   3.120  -3.095  10.749
  125   2HB   GLU  18          2HB       GLU  18   3.195  -4.848  11.018
  126   1HG   GLU  18          1HG       GLU  18   5.608  -4.823  10.358
  127   2HG   GLU  18          2HG       GLU  18   5.508  -3.075  10.092
  128    H    PHE  19           H        PHE  19   5.084  -4.828   7.126
  129    HA   PHE  19           HA       PHE  19   5.356  -7.627   7.909
  130   1HB   PHE  19          1HB       PHE  19   4.590  -8.614   5.822
  131   2HB   PHE  19          2HB       PHE  19   3.286  -7.774   6.617
  132    HD1  PHE  19           HD1      PHE  19   2.503  -5.512   5.738
  133    HD2  PHE  19           HD2      PHE  19   5.275  -8.028   3.582
  134    HE1  PHE  19           HE1      PHE  19   1.772  -4.509   3.605
  135    HE2  PHE  19           HE2      PHE  19   4.602  -6.943   1.464
  136    HZ   PHE  19           HZ       PHE  19   2.849  -5.175   1.473
  137    H    SER  20           H        SER  20   6.768  -8.844   6.220
  138    HA   SER  20           HA       SER  20   8.946  -7.066   5.279
  139   1HB   SER  20          1HB       SER  20  10.284  -9.246   5.693
  140   2HB   SER  20          2HB       SER  20   9.769  -8.314   7.118
  141    HG   SER  20           HG       SER  20   9.287 -10.556   7.329
  142    H    VAL  21           H        VAL  21   9.820  -7.609   3.181
  143    HA   VAL  21           HA       VAL  21   8.444  -9.760   1.705
  144    HB   VAL  21           HB       VAL  21   7.157  -7.721   1.352
  145   1HG1  VAL  21          1HG1      VAL  21   9.025  -6.049   1.665
  146   2HG1  VAL  21          2HG1      VAL  21   9.646  -6.511   0.066
  147   3HG1  VAL  21          3HG1      VAL  21   8.046  -5.784   0.209
  148   1HG2  VAL  21          1HG2      VAL  21   7.433  -9.398  -0.469
  149   2HG2  VAL  21          2HG2      VAL  21   7.156  -7.750  -1.075
  150   3HG2  VAL  21          3HG2      VAL  21   8.797  -8.424  -1.085
  151    HA   PRO  22           HA       PRO  22  12.762 -10.275   0.567
  152   1HB   PRO  22          1HB       PRO  22  11.744 -11.650  -1.902
  153   2HB   PRO  22          2HB       PRO  22  12.920 -12.242  -0.700
  154   1HG   PRO  22          1HG       PRO  22  10.370 -13.203  -0.749
  155   2HG   PRO  22          2HG       PRO  22  11.174 -12.844   0.808
  156   1HD   PRO  22          1HD       PRO  22   9.225 -11.086  -0.711
  157   2HD   PRO  22          2HD       PRO  22   9.234 -11.573   1.009
  158    H    SER  23           H        SER  23  14.194  -9.146  -0.739
  159    HA   SER  23           HA       SER  23  13.589  -6.850  -2.125
  160   1HB   SER  23          1HB       SER  23  15.856  -8.735  -2.894
  161   2HB   SER  23          2HB       SER  23  15.787  -6.981  -3.133
  162    HG   SER  23           HG       SER  23  15.838  -8.364  -0.643
  163    H    GLY  24           H        GLY  24  12.437  -6.417  -3.986
  164   1HA   GLY  24          1HA       GLY  24  11.987  -6.538  -6.242
  165   2HA   GLY  24          2HA       GLY  24  12.936  -8.015  -6.394
  166    H    GLU  25           H        GLU  25  10.821  -8.730  -3.852
  167    HA   GLU  25           HA       GLU  25   9.111 -10.188  -5.703
  168   1HB   GLU  25          1HB       GLU  25   9.861 -11.058  -3.495
  169   2HB   GLU  25          2HB       GLU  25   8.788  -9.886  -2.712
  170   1HG   GLU  25          1HG       GLU  25   6.824 -10.928  -3.753
  171   2HG   GLU  25          2HG       GLU  25   7.861 -11.982  -4.734
  172    H    LYS  26           H        LYS  26   6.862  -9.835  -6.033
  173    HA   LYS  26           HA       LYS  26   6.098  -7.012  -5.897
  174   1HB   LYS  26          1HB       LYS  26   4.294  -7.814  -7.470
  175   2HB   LYS  26          2HB       LYS  26   5.966  -7.724  -8.036
  176   1HG   LYS  26          1HG       LYS  26   6.216 -10.145  -7.903
  177   2HG   LYS  26          2HG       LYS  26   4.640 -10.301  -7.104
  178   1HD   LYS  26          1HD       LYS  26   4.571 -10.913  -9.505
  179   2HD   LYS  26          2HD       LYS  26   3.490  -9.568  -9.124
  180   1HE   LYS  26          1HE       LYS  26   4.739  -9.273 -11.268
  181   2HE   LYS  26          2HE       LYS  26   5.023  -7.957 -10.126
  182   1HZ   LYS  26          1HZ       LYS  26   7.100  -8.968  -9.551
  183   2HZ   LYS  26          2HZ       LYS  26   6.825 -10.243 -10.561
  184   3HZ   LYS  26          3HZ       LYS  26   7.029  -8.730 -11.178
  185    H    ILE  27           H        ILE  27   4.392  -6.196  -4.943
  186    HA   ILE  27           HA       ILE  27   2.871  -7.850  -3.008
  187    HB   ILE  27           HB       ILE  27   3.237  -4.840  -3.151
  188   1HG1  ILE  27          1HG1      ILE  27   4.696  -6.802  -1.317
  189   2HG1  ILE  27          2HG1      ILE  27   5.429  -6.032  -2.730
  190   1HG2  ILE  27          1HG2      ILE  27   2.249  -6.645  -0.900
  191   2HG2  ILE  27          2HG2      ILE  27   2.338  -4.872  -0.856
  192   3HG2  ILE  27          3HG2      ILE  27   1.201  -5.656  -1.939
  193   1HD1  ILE  27          1HD1      ILE  27   4.962  -3.787  -1.763
  194   2HD1  ILE  27          2HD1      ILE  27   4.464  -4.587  -0.253
  195   3HD1  ILE  27          3HD1      ILE  27   6.114  -4.786  -0.859
  196    H    VAL  28           H        VAL  28   0.658  -7.916  -3.260
  197    HA   VAL  28           HA       VAL  28  -0.598  -6.494  -5.584
  198    HB   VAL  28           HB       VAL  28  -1.196  -9.254  -4.445
  199   1HG1  VAL  28          1HG1      VAL  28  -2.374  -7.764  -6.824
  200   2HG1  VAL  28          2HG1      VAL  28  -2.695  -9.459  -6.411
  201   3HG1  VAL  28          3HG1      VAL  28  -3.232  -8.174  -5.325
  202   1HG2  VAL  28          1HG2      VAL  28   0.118  -8.451  -7.067
  203   2HG2  VAL  28          2HG2      VAL  28   0.912  -9.279  -5.711
  204   3HG2  VAL  28          3HG2      VAL  28  -0.373 -10.093  -6.612
  205    H    PHE  29           H        PHE  29  -1.521  -4.750  -4.532
  206    HA   PHE  29           HA       PHE  29  -2.963  -5.126  -1.976
  207   1HB   PHE  29          1HB       PHE  29  -2.584  -2.749  -3.785
  208   2HB   PHE  29          2HB       PHE  29  -3.548  -2.716  -2.323
  209    HD1  PHE  29           HD1      PHE  29  -0.163  -2.860  -3.730
  210    HD2  PHE  29           HD2      PHE  29  -2.510  -2.645  -0.141
  211    HE1  PHE  29           HE1      PHE  29   1.919  -2.487  -2.374
  212    HE2  PHE  29           HE2      PHE  29  -0.450  -2.121   1.182
  213    HZ   PHE  29           HZ       PHE  29   1.756  -2.043   0.047
  214    H    LYS  30           H        LYS  30  -4.772  -6.397  -2.302
  215    HA   LYS  30           HA       LYS  30  -6.520  -5.927  -4.650
  216   1HB   LYS  30          1HB       LYS  30  -5.886  -8.213  -4.045
  217   2HB   LYS  30          2HB       LYS  30  -6.613  -8.001  -2.445
  218   1HG   LYS  30          1HG       LYS  30  -8.833  -7.665  -3.460
  219   2HG   LYS  30          2HG       LYS  30  -8.130  -7.761  -5.088
  220   1HD   LYS  30          1HD       LYS  30  -7.411 -10.085  -4.652
  221   2HD   LYS  30          2HD       LYS  30  -8.074 -10.006  -3.013
  222   1HE   LYS  30          1HE       LYS  30  -9.675  -9.723  -5.603
  223   2HE   LYS  30          2HE       LYS  30  -9.598 -11.168  -4.585
  224   1HZ   LYS  30          1HZ       LYS  30 -10.683  -8.563  -3.768
  225   2HZ   LYS  30          2HZ       LYS  30 -11.544  -9.918  -4.118
  226   3HZ   LYS  30          3HZ       LYS  30 -10.559  -9.891  -2.800
  227    H    ASN  31           H        ASN  31  -8.264  -4.612  -4.554
  228    HA   ASN  31           HA       ASN  31  -9.045  -3.297  -2.170
  229   1HB   ASN  31          1HB       ASN  31  -9.526  -2.424  -4.449
  230   2HB   ASN  31          2HB       ASN  31 -10.733  -3.688  -4.679
  231   1HD2  ASN  31          1HD2      ASN  31 -12.798  -0.912  -3.524
  232   2HD2  ASN  31          2HD2      ASN  31 -12.085  -1.614  -4.965
  233    H    ASN  32           H        ASN  32  -9.967  -4.333  -0.401
  234    HA   ASN  32           HA       ASN  32 -11.595  -6.785  -0.869
  235   1HB   ASN  32          1HB       ASN  32  -9.689  -7.026   0.537
  236   2HB   ASN  32          2HB       ASN  32 -10.188  -5.708   1.583
  237   1HD2  ASN  32          1HD2      ASN  32 -11.752  -8.079   3.669
  238   2HD2  ASN  32          2HD2      ASN  32 -10.590  -6.760   3.511
  239    H    ALA  33           H        ALA  33 -11.697  -4.332   1.687
  240    HA   ALA  33           HA       ALA  33 -14.537  -3.689   1.153
  241   1HB   ALA  33          1HB       ALA  33 -14.665  -5.790   2.457
  242   2HB   ALA  33          2HB       ALA  33 -13.596  -5.088   3.686
  243   3HB   ALA  33          3HB       ALA  33 -15.224  -4.420   3.436
  244    H    GLY  34           H        GLY  34 -15.271  -2.111   3.056
  245   1HA   GLY  34          1HA       GLY  34 -14.929  -0.092   4.105
  246   2HA   GLY  34          2HA       GLY  34 -13.309  -0.669   4.526
  247    H    PHE  35           H        PHE  35 -14.086  -0.599   1.157
  248    HA   PHE  35           HA       PHE  35 -12.083   1.415   0.502
  249   1HB   PHE  35          1HB       PHE  35 -12.448   0.574  -1.742
  250   2HB   PHE  35          2HB       PHE  35 -12.267  -0.642  -0.526
  251    HD1  PHE  35           HD2      PHE  35 -15.152   1.239  -2.064
  252    HD2  PHE  35           HD1      PHE  35 -13.412  -2.553  -1.020
  253    HE1  PHE  35           HE2      PHE  35 -17.315   0.104  -2.556
  254    HE2  PHE  35           HE1      PHE  35 -15.615  -3.666  -1.331
  255    HZ   PHE  35           HZ       PHE  35 -17.550  -2.348  -2.172
  256    HA   PRO  36           HA       PRO  36 -12.529   2.565  -2.055
  257   1HB   PRO  36          1HB       PRO  36 -12.360   5.523  -1.757
  258   2HB   PRO  36          2HB       PRO  36 -12.413   4.580  -3.275
  259   1HG   PRO  36          1HG       PRO  36 -14.614   5.909  -2.397
  260   2HG   PRO  36          2HG       PRO  36 -14.791   4.219  -2.968
  261   1HD   PRO  36          1HD       PRO  36 -14.467   5.172  -0.091
  262   2HD   PRO  36          2HD       PRO  36 -15.711   4.089  -0.776
  263    H    HIS  37           H        HIS  37 -10.261   2.991  -2.369
  264    HA   HIS  37           HA       HIS  37  -8.741   4.065  -0.113
  265   1HB   HIS  37          1HB       HIS  37  -8.401   1.233  -1.178
  266   2HB   HIS  37          2HB       HIS  37  -7.411   1.920   0.102
  267    HD2  HIS  37           HD2      HIS  37  -9.868  -0.598  -0.348
  268    HE1  HIS  37           HE1      HIS  37 -10.374   0.585   3.685
  269    HE2  HIS  37           HE2      HIS  37 -10.744  -1.283   1.992
  270    H    ASN  38           H        ASN  38  -6.264   3.655  -0.646
  271    HA   ASN  38           HA       ASN  38  -5.527   3.121  -3.304
  272   1HB   ASN  38          1HB       ASN  38  -4.595   5.274  -3.947
  273   2HB   ASN  38          2HB       ASN  38  -6.329   5.336  -3.805
  274   1HD2  ASN  38          1HD2      ASN  38  -5.571   8.498  -2.377
  275   2HD2  ASN  38          2HD2      ASN  38  -5.880   7.694  -3.905
  276    H    VAL  39           H        VAL  39  -3.002   3.566  -3.353
  277    HA   VAL  39           HA       VAL  39  -1.922   2.938  -0.624
  278    HB   VAL  39           HB       VAL  39  -1.107   1.734  -3.302
  279   1HG1  VAL  39          1HG1      VAL  39  -0.302   1.034  -0.438
  280   2HG1  VAL  39          2HG1      VAL  39   0.258   0.238  -1.923
  281   3HG1  VAL  39          3HG1      VAL  39   0.715   1.913  -1.599
  282   1HG2  VAL  39          1HG2      VAL  39  -2.724   0.489  -1.040
  283   2HG2  VAL  39          2HG2      VAL  39  -3.320   0.848  -2.675
  284   3HG2  VAL  39          3HG2      VAL  39  -2.066  -0.364  -2.442
  285    H    VAL  40           H        VAL  40  -0.936   4.870  -0.124
  286    HA   VAL  40           HA       VAL  40   0.809   6.108  -2.212
  287    HB   VAL  40           HB       VAL  40  -0.558   7.426   0.159
  288   1HG1  VAL  40          1HG1      VAL  40   1.011   8.535  -2.219
  289   2HG1  VAL  40          2HG1      VAL  40   0.143   9.518  -1.020
  290   3HG1  VAL  40          3HG1      VAL  40   1.530   8.540  -0.526
  291   1HG2  VAL  40          1HG2      VAL  40  -2.307   6.816  -1.386
  292   2HG2  VAL  40          2HG2      VAL  40  -1.978   8.535  -1.619
  293   3HG2  VAL  40          3HG2      VAL  40  -1.347   7.342  -2.780
  294    H    PHE  41           H        PHE  41   2.951   6.317  -1.678
  295    HA   PHE  41           HA       PHE  41   3.799   5.184   0.946
  296   1HB   PHE  41          1HB       PHE  41   5.148   5.501  -1.718
  297   2HB   PHE  41          2HB       PHE  41   6.036   5.160  -0.248
  298    HD1  PHE  41           HD1      PHE  41   3.416   3.757  -2.519
  299    HD2  PHE  41           HD2      PHE  41   6.059   3.032   0.781
  300    HE1  PHE  41           HE1      PHE  41   2.952   1.333  -2.696
  301    HE2  PHE  41           HE2      PHE  41   5.733   0.571   0.497
  302    HZ   PHE  41           HZ       PHE  41   4.123  -0.269  -1.199
  303    H    ASP  42           H        ASP  42   4.950   6.351   2.397
  304    HA   ASP  42           HA       ASP  42   4.809   9.234   2.230
  305   1HB   ASP  42          1HB       ASP  42   4.629   7.990   4.357
  306   2HB   ASP  42          2HB       ASP  42   6.285   7.410   4.151
  307    H    GLU  43           H        GLU  43   6.108  10.403   0.962
  308    HA   GLU  43           HA       GLU  43   8.309   9.576  -0.448
  309   1HB   GLU  43          1HB       GLU  43   8.758  11.976  -0.829
  310   2HB   GLU  43          2HB       GLU  43   7.059  11.535  -1.042
  311   1HG   GLU  43          1HG       GLU  43   6.533  12.450   1.230
  312   2HG   GLU  43          2HG       GLU  43   8.237  12.886   1.433
  313    H    ASP  44           H        ASP  44   8.454  10.648   2.905
  314    HA   ASP  44           HA       ASP  44  11.403  10.878   2.770
  315   1HB   ASP  44          1HB       ASP  44  10.199  12.497   4.120
  316   2HB   ASP  44          2HB       ASP  44   9.419  11.211   5.056
  317    H    GLU  45           H        GLU  45   8.937   8.857   4.393
  318    HA   GLU  45           HA       GLU  45  10.940   7.069   5.521
  319   1HB   GLU  45          1HB       GLU  45   7.933   6.865   5.503
  320   2HB   GLU  45          2HB       GLU  45   9.049   5.955   6.532
  321   1HG   GLU  45          1HG       GLU  45   9.763   8.018   7.652
  322   2HG   GLU  45          2HG       GLU  45   8.723   8.999   6.615
  323    H    ILE  46           H        ILE  46  11.562   6.910   3.042
  324    HA   ILE  46           HA       ILE  46  11.042   4.138   2.289
  325    HB   ILE  46           HB       ILE  46  10.822   4.815  -0.145
  326   1HG1  ILE  46          1HG1      ILE  46  10.112   7.547   0.996
  327   2HG1  ILE  46          2HG1      ILE  46  11.543   7.154   0.039
  328   1HG2  ILE  46          1HG2      ILE  46   8.434   5.012  -0.114
  329   2HG2  ILE  46          2HG2      ILE  46   8.924   3.958   1.202
  330   3HG2  ILE  46          3HG2      ILE  46   8.437   5.620   1.553
  331   1HD1  ILE  46          1HD1      ILE  46  10.002   8.134  -1.471
  332   2HD1  ILE  46          2HD1      ILE  46   9.953   6.393  -1.807
  333   3HD1  ILE  46          3HD1      ILE  46   8.649   7.157  -0.873
  334    HA   PRO  47           HA       PRO  47  15.394   4.626   1.795
  335   1HB   PRO  47          1HB       PRO  47  16.081   2.735  -0.100
  336   2HB   PRO  47          2HB       PRO  47  15.660   2.380   1.597
  337   1HG   PRO  47          1HG       PRO  47  13.881   2.225  -0.838
  338   2HG   PRO  47          2HG       PRO  47  14.043   1.046   0.504
  339   1HD   PRO  47          1HD       PRO  47  12.006   2.880   0.381
  340   2HD   PRO  47          2HD       PRO  47  12.721   2.379   1.940
  341    H    ALA  48           H        ALA  48  16.407   6.249   0.847
  342    HA   ALA  48           HA       ALA  48  15.500   7.787  -1.264
  343   1HB   ALA  48          1HB       ALA  48  17.103   8.570   0.402
  344   2HB   ALA  48          2HB       ALA  48  18.349   7.472  -0.236
  345   3HB   ALA  48          3HB       ALA  48  17.747   8.814  -1.233
  346    H    GLY  49           H        GLY  49  15.161   7.138  -3.291
  347   1HA   GLY  49          1HA       GLY  49  16.883   6.755  -5.309
  348   2HA   GLY  49          2HA       GLY  49  16.811   5.109  -4.640
  349    H    VAL  50           H        VAL  50  14.328   4.649  -3.870
  350    HA   VAL  50           HA       VAL  50  12.836   4.668  -6.406
  351    HB   VAL  50           HB       VAL  50  12.066   3.449  -3.732
  352   1HG1  VAL  50          1HG1      VAL  50  10.460   2.205  -5.106
  353   2HG1  VAL  50          2HG1      VAL  50  10.207   3.945  -5.378
  354   3HG1  VAL  50          3HG1      VAL  50  11.066   2.982  -6.585
  355   1HG2  VAL  50          1HG2      VAL  50  14.136   2.401  -4.551
  356   2HG2  VAL  50          2HG2      VAL  50  12.766   1.308  -4.797
  357   3HG2  VAL  50          3HG2      VAL  50  13.431   2.215  -6.171
  358    H    ASP  51           H        ASP  51  12.256   6.827  -6.704
  359    HA   ASP  51           HA       ASP  51  11.127   8.520  -4.740
  360   1HB   ASP  51          1HB       ASP  51  11.925   9.327  -6.939
  361   2HB   ASP  51          2HB       ASP  51  10.575   8.502  -7.740
  362    H    ALA  52           H        ALA  52   9.163   8.675  -3.913
  363    HA   ALA  52           HA       ALA  52   7.305   6.758  -3.545
  364   1HB   ALA  52          1HB       ALA  52   5.750   8.531  -2.851
  365   2HB   ALA  52          2HB       ALA  52   7.397   8.881  -2.306
  366   3HB   ALA  52          3HB       ALA  52   6.728   9.744  -3.706
  367    H    VAL  53           H        VAL  53   7.137   9.114  -6.249
  368    HA   VAL  53           HA       VAL  53   4.557   8.409  -7.146
  369    HB   VAL  53           HB       VAL  53   6.983   9.393  -8.705
  370   1HG1  VAL  53          1HG1      VAL  53   5.296  10.225 -10.357
  371   2HG1  VAL  53          2HG1      VAL  53   5.393   8.464 -10.311
  372   3HG1  VAL  53          3HG1      VAL  53   4.043   9.297  -9.508
  373   1HG2  VAL  53          1HG2      VAL  53   4.575  10.859  -7.522
  374   2HG2  VAL  53          2HG2      VAL  53   6.230  10.938  -6.889
  375   3HG2  VAL  53          3HG2      VAL  53   5.867  11.599  -8.487
  376    H    LYS  54           H        LYS  54   7.630   6.677  -7.506
  377    HA   LYS  54           HA       LYS  54   6.600   4.960  -9.633
  378   1HB   LYS  54          1HB       LYS  54   9.085   4.652  -7.912
  379   2HB   LYS  54          2HB       LYS  54   8.646   3.686  -9.327
  380   1HG   LYS  54          1HG       LYS  54   8.476   5.937 -10.603
  381   2HG   LYS  54          2HG       LYS  54   9.381   6.638  -9.259
  382   1HD   LYS  54          1HD       LYS  54  10.256   4.245 -10.964
  383   2HD   LYS  54          2HD       LYS  54  10.777   5.906 -11.248
  384   1HE   LYS  54          1HE       LYS  54  11.332   4.368  -8.667
  385   2HE   LYS  54          2HE       LYS  54  12.455   4.507 -10.027
  386   1HZ   LYS  54          1HZ       LYS  54  11.404   6.747  -8.463
  387   2HZ   LYS  54          2HZ       LYS  54  12.936   6.131  -8.392
  388   3HZ   LYS  54          3HZ       LYS  54  12.411   6.878  -9.761
  389    H    ILE  55           H        ILE  55   6.228   4.919  -6.159
  390    HA   ILE  55           HA       ILE  55   5.242   2.096  -6.390
  391    HB   ILE  55           HB       ILE  55   5.655   1.788  -4.056
  392   1HG1  ILE  55          1HG1      ILE  55   5.842   4.393  -3.551
  393   2HG1  ILE  55          2HG1      ILE  55   6.628   3.126  -2.586
  394   1HG2  ILE  55          1HG2      ILE  55   7.236   0.986  -5.702
  395   2HG2  ILE  55          2HG2      ILE  55   8.099   2.544  -5.657
  396   3HG2  ILE  55          3HG2      ILE  55   8.061   1.499  -4.212
  397   1HD1  ILE  55          1HD1      ILE  55   8.146   4.947  -2.877
  398   2HD1  ILE  55          2HD1      ILE  55   8.773   3.513  -3.625
  399   3HD1  ILE  55          3HD1      ILE  55   8.056   4.779  -4.655
  400    H    SER  56           H        SER  56   4.315   5.339  -5.666
  401    HA   SER  56           HA       SER  56   1.965   4.585  -4.119
  402   1HB   SER  56          1HB       SER  56   2.804   7.228  -5.328
  403   2HB   SER  56          2HB       SER  56   1.507   6.990  -4.157
  404    HG   SER  56           HG       SER  56   4.296   6.550  -3.853
  405    H    MET  57           H        MET  57   0.003   4.077  -4.942
  406    HA   MET  57           HA       MET  57  -0.540   4.119  -7.771
  407   1HB   MET  57          1HB       MET  57  -1.530   2.617  -5.923
  408   2HB   MET  57          2HB       MET  57  -2.580   3.960  -5.498
  409   1HG   MET  57          1HG       MET  57  -2.392   2.594  -8.220
  410   2HG   MET  57          2HG       MET  57  -3.612   2.256  -6.997
  411   1HE   MET  57          1HE       MET  57  -5.329   4.037  -6.159
  412   2HE   MET  57          2HE       MET  57  -4.293   5.499  -6.171
  413   3HE   MET  57          3HE       MET  57  -5.796   5.463  -7.106
  414    HA   PRO  58           HA       PRO  58  -0.968   8.589  -8.143
  415   1HB   PRO  58          1HB       PRO  58  -3.394   7.644  -9.703
  416   2HB   PRO  58          2HB       PRO  58  -2.381   9.088 -10.024
  417   1HG   PRO  58          1HG       PRO  58  -1.799   6.770 -11.294
  418   2HG   PRO  58          2HG       PRO  58  -0.474   7.706 -10.542
  419   1HD   PRO  58          1HD       PRO  58  -1.763   5.186  -9.567
  420   2HD   PRO  58          2HD       PRO  58  -0.078   5.748  -9.381
  421    H    GLU  59           H        GLU  59  -1.350   9.336  -6.178
  422    HA   GLU  59           HA       GLU  59  -3.183   8.978  -4.281
  423   1HB   GLU  59          1HB       GLU  59  -2.117  11.749  -4.994
  424   2HB   GLU  59          2HB       GLU  59  -2.675  11.165  -3.426
  425   1HG   GLU  59          1HG       GLU  59  -0.419  10.966  -3.112
  426   2HG   GLU  59          2HG       GLU  59  -0.758   9.349  -3.735
  427    H    GLU  60           H        GLU  60  -3.703  11.207  -6.966
  428    HA   GLU  60           HA       GLU  60  -6.114  12.386  -6.035
  429   1HB   GLU  60          1HB       GLU  60  -4.532  12.347  -8.536
  430   2HB   GLU  60          2HB       GLU  60  -6.265  12.323  -8.862
  431   1HG   GLU  60          1HG       GLU  60  -6.628  14.289  -7.436
  432   2HG   GLU  60          2HG       GLU  60  -4.895  14.349  -7.060
  433    H    GLU  61           H        GLU  61  -5.525   9.320  -7.685
  434    HA   GLU  61           HA       GLU  61  -8.389   8.815  -8.086
  435   1HB   GLU  61          1HB       GLU  61  -5.924   7.154  -8.780
  436   2HB   GLU  61          2HB       GLU  61  -7.573   6.920  -9.356
  437   1HG   GLU  61          1HG       GLU  61  -5.700   9.231 -10.006
  438   2HG   GLU  61          2HG       GLU  61  -6.273   7.980 -11.109
  439    H    LEU  62           H        LEU  62  -9.204   6.686  -7.468
  440    HA   LEU  62           HA       LEU  62  -7.965   5.458  -5.102
  441   1HB   LEU  62          1HB       LEU  62 -10.830   6.545  -5.121
  442   2HB   LEU  62          2HB       LEU  62 -10.106   5.515  -3.891
  443    HG   LEU  62           HG       LEU  62  -8.302   7.511  -3.780
  444   1HD1  LEU  62          1HD1      LEU  62  -9.399   9.694  -3.963
  445   2HD1  LEU  62          2HD1      LEU  62  -9.527   8.907  -5.539
  446   3HD1  LEU  62          3HD1      LEU  62 -10.925   8.935  -4.459
  447   1HD2  LEU  62          1HD2      LEU  62  -9.561   6.608  -1.916
  448   2HD2  LEU  62          2HD2      LEU  62  -9.554   8.386  -1.883
  449   3HD2  LEU  62          3HD2      LEU  62 -11.009   7.516  -2.417
  450    H    LEU  63           H        LEU  63  -8.457   3.382  -4.841
  451    HA   LEU  63           HA       LEU  63  -9.663   1.827  -6.978
  452   1HB   LEU  63          1HB       LEU  63  -8.593   1.097  -4.228
  453   2HB   LEU  63          2HB       LEU  63  -9.053  -0.062  -5.479
  454    HG   LEU  63           HG       LEU  63  -6.884   2.056  -5.907
  455   1HD1  LEU  63          1HD1      LEU  63  -5.270   0.284  -5.370
  456   2HD1  LEU  63          2HD1      LEU  63  -6.297   0.681  -3.984
  457   3HD1  LEU  63          3HD1      LEU  63  -6.611  -0.800  -4.921
  458   1HD2  LEU  63          1HD2      LEU  63  -6.125   0.535  -7.678
  459   2HD2  LEU  63          2HD2      LEU  63  -7.422  -0.607  -7.287
  460   3HD2  LEU  63          3HD2      LEU  63  -7.810   0.984  -7.980
  461    H    ASN  64           H        ASN  64 -11.877   2.057  -7.036
  462    HA   ASN  64           HA       ASN  64 -13.439   2.300  -4.522
  463   1HB   ASN  64          1HB       ASN  64 -15.200   3.179  -5.917
  464   2HB   ASN  64          2HB       ASN  64 -13.706   4.108  -6.109
  465   1HD2  ASN  64          1HD2      ASN  64 -15.296   3.454  -9.483
  466   2HD2  ASN  64          2HD2      ASN  64 -15.915   4.131  -7.988
  467    H    ALA  65           H        ALA  65 -13.552   0.513  -7.679
  468    HA   ALA  65           HA       ALA  65 -15.735  -1.104  -6.761
  469   1HB   ALA  65          1HB       ALA  65 -15.290  -0.663  -9.154
  470   2HB   ALA  65          2HB       ALA  65 -13.802  -1.633  -9.053
  471   3HB   ALA  65          3HB       ALA  65 -15.375  -2.403  -8.807
  472    HA   PRO  66           HA       PRO  66 -13.315  -3.966  -4.306
  473   1HB   PRO  66          1HB       PRO  66 -14.954  -6.184  -4.284
  474   2HB   PRO  66          2HB       PRO  66 -15.249  -4.714  -3.325
  475   1HG   PRO  66          1HG       PRO  66 -16.435  -5.433  -6.013
  476   2HG   PRO  66          2HG       PRO  66 -17.300  -4.843  -4.562
  477   1HD   PRO  66          1HD       PRO  66 -16.618  -3.177  -6.574
  478   2HD   PRO  66          2HD       PRO  66 -16.450  -2.626  -4.879
  479    H    GLY  67           H        GLY  67 -11.867  -5.725  -4.673
  480   1HA   GLY  67          1HA       GLY  67 -11.093  -7.606  -5.841
  481   2HA   GLY  67          2HA       GLY  67 -12.071  -7.214  -7.251
  482    H    GLU  68           H        GLU  68 -11.192  -4.347  -7.319
  483    HA   GLU  68           HA       GLU  68  -9.157  -4.446  -9.154
  484   1HB   GLU  68          1HB       GLU  68  -9.727  -2.275  -7.105
  485   2HB   GLU  68          2HB       GLU  68  -8.691  -2.071  -8.530
  486   1HG   GLU  68          1HG       GLU  68 -10.540  -2.544 -10.041
  487   2HG   GLU  68          2HG       GLU  68 -11.638  -2.846  -8.696
  488    H    THR  69           H        THR  69  -7.095  -5.172  -9.101
  489    HA   THR  69           HA       THR  69  -5.590  -5.319  -6.558
  490    HB   THR  69           HB       THR  69  -4.095  -6.713  -8.101
  491    HG1  THR  69           HG1      THR  69  -5.070  -5.864 -10.010
  492   1HG2  THR  69          1HG2      THR  69  -6.933  -7.698  -7.626
  493   2HG2  THR  69          2HG2      THR  69  -5.492  -8.701  -7.881
  494   3HG2  THR  69          3HG2      THR  69  -5.617  -7.681  -6.428
  495    OH   TYR  70           OH       TYR  70   1.804   1.704  -7.266
  496    H    TYR  70           H        TYR  70  -4.157  -3.765  -6.179
  497    HA   TYR  70           HA       TYR  70  -2.836  -2.330  -8.458
  498   1HB   TYR  70          1HB       TYR  70  -3.804  -0.823  -6.836
  499   2HB   TYR  70          2HB       TYR  70  -3.045  -1.647  -5.509
  500    HD1  TYR  70           HD2      TYR  70  -2.048  -0.115  -8.811
  501    HD2  TYR  70           HD1      TYR  70  -1.053  -0.683  -4.652
  502    HE1  TYR  70           HE2      TYR  70   0.052   1.158  -9.133
  503    HE2  TYR  70           HE1      TYR  70   1.022   0.624  -4.973
  504    HH   TYR  70           HH       TYR  70   2.290   1.829  -6.444
  505    H    VAL  71           H        VAL  71  -1.087  -3.488  -9.106
  506    HA   VAL  71           HA       VAL  71   0.433  -5.042  -7.127
  507    HB   VAL  71           HB       VAL  71   0.818  -4.941 -10.134
  508   1HG1  VAL  71          1HG1      VAL  71   1.860  -7.190  -9.675
  509   2HG1  VAL  71          2HG1      VAL  71   2.735  -5.861  -8.902
  510   3HG1  VAL  71          3HG1      VAL  71   1.656  -6.886  -7.935
  511   1HG2  VAL  71          1HG2      VAL  71  -0.478  -7.085 -10.148
  512   2HG2  VAL  71          2HG2      VAL  71  -0.924  -6.795  -8.454
  513   3HG2  VAL  71          3HG2      VAL  71  -1.480  -5.693  -9.730
  514    H    VAL  72           H        VAL  72   2.574  -4.553  -6.547
  515    HA   VAL  72           HA       VAL  72   4.043  -2.487  -8.032
  516    HB   VAL  72           HB       VAL  72   2.725  -1.169  -6.452
  517   1HG1  VAL  72          1HG1      VAL  72   4.087  -2.722  -4.211
  518   2HG1  VAL  72          2HG1      VAL  72   3.005  -1.329  -4.046
  519   3HG1  VAL  72          3HG1      VAL  72   2.376  -2.864  -4.676
  520   1HG2  VAL  72          1HG2      VAL  72   4.524   0.064  -5.388
  521   2HG2  VAL  72          2HG2      VAL  72   5.651  -1.280  -5.617
  522   3HG2  VAL  72          3HG2      VAL  72   5.000  -0.414  -7.029
  523    H    THR  73           H        THR  73   6.282  -2.744  -7.819
  524    HA   THR  73           HA       THR  73   7.180  -5.155  -6.302
  525    HB   THR  73           HB       THR  73   8.364  -4.043  -8.867
  526    HG1  THR  73           HG1      THR  73   7.163  -5.701  -9.881
  527   1HG2  THR  73          1HG2      THR  73   9.302  -6.334  -9.036
  528   2HG2  THR  73          2HG2      THR  73   9.796  -5.584  -7.509
  529   3HG2  THR  73          3HG2      THR  73   8.483  -6.783  -7.529
  530    H    LEU  74           H        LEU  74   8.634  -4.746  -4.717
  531    HA   LEU  74           HA       LEU  74  10.030  -2.096  -4.718
  532   1HB   LEU  74          1HB       LEU  74   9.596  -3.962  -2.382
  533   2HB   LEU  74          2HB       LEU  74  10.208  -2.295  -2.408
  534    HG   LEU  74           HG       LEU  74   7.362  -3.166  -3.068
  535   1HD1  LEU  74          1HD1      LEU  74   7.954  -3.288  -0.660
  536   2HD1  LEU  74          2HD1      LEU  74   8.500  -1.600  -0.710
  537   3HD1  LEU  74          3HD1      LEU  74   6.791  -1.991  -0.988
  538   1HD2  LEU  74          1HD2      LEU  74   7.949  -1.164  -4.387
  539   2HD2  LEU  74          2HD2      LEU  74   6.878  -0.712  -3.055
  540   3HD2  LEU  74          3HD2      LEU  74   8.620  -0.393  -2.932
  541    H    ASP  75           H        ASP  75  11.831  -2.452  -5.903
  542    HA   ASP  75           HA       ASP  75  13.441  -4.858  -5.724
  543   1HB   ASP  75          1HB       ASP  75  13.344  -3.619  -7.793
  544   2HB   ASP  75          2HB       ASP  75  13.903  -2.135  -7.003
  545    H    THR  76           H        THR  76  14.108  -1.446  -4.782
  546    HA   THR  76           HA       THR  76  16.601  -2.085  -3.586
  547    HB   THR  76           HB       THR  76  14.886   0.388  -3.121
  548    HG1  THR  76           HG1      THR  76  16.402  -0.409  -5.379
  549   1HG2  THR  76          1HG2      THR  76  17.007   0.323  -1.853
  550   2HG2  THR  76          2HG2      THR  76  17.907   0.000  -3.353
  551   3HG2  THR  76          3HG2      THR  76  17.060   1.546  -3.134
  552    H    LYS  77           H        LYS  77  17.087  -2.741  -1.564
  553    HA   LYS  77           HA       LYS  77  15.087  -3.499   0.328
  554   1HB   LYS  77          1HB       LYS  77  18.101  -3.128   0.594
  555   2HB   LYS  77          2HB       LYS  77  17.067  -3.866   1.831
  556   1HG   LYS  77          1HG       LYS  77  16.297  -5.540   0.149
  557   2HG   LYS  77          2HG       LYS  77  17.502  -4.947  -0.995
  558   1HD   LYS  77          1HD       LYS  77  18.062  -6.131   1.771
  559   2HD   LYS  77          2HD       LYS  77  18.273  -6.953   0.213
  560   1HE   LYS  77          1HE       LYS  77  19.982  -5.238  -0.432
  561   2HE   LYS  77          2HE       LYS  77  19.833  -4.515   1.183
  562   1HZ   LYS  77          1HZ       LYS  77  21.651  -6.024   1.067
  563   2HZ   LYS  77          2HZ       LYS  77  20.518  -6.595   2.117
  564   3HZ   LYS  77          3HZ       LYS  77  20.667  -7.268   0.620
  565    H    GLY  78           H        GLY  78  14.785  -2.745   2.482
  566   1HA   GLY  78          1HA       GLY  78  15.624  -0.782   3.986
  567   2HA   GLY  78          2HA       GLY  78  14.927   0.225   2.702
  568    H    THR  79           H        THR  79  13.547   0.971   4.521
  569    HA   THR  79           HA       THR  79  11.189  -0.815   4.965
  570    HB   THR  79           HB       THR  79  12.325   1.349   6.778
  571    HG1  THR  79           HG1      THR  79  13.506  -0.631   6.713
  572   1HG2  THR  79          1HG2      THR  79  10.660   0.457   8.387
  573   2HG2  THR  79          2HG2      THR  79   9.872   1.178   6.969
  574   3HG2  THR  79          3HG2      THR  79   9.991  -0.592   7.120
  575    OH   TYR  80           OH       TYR  80  12.243   0.124  -2.356
  576    H    TYR  80           H        TYR  80   9.419  -0.117   3.963
  577    HA   TYR  80           HA       TYR  80   9.275   2.714   3.014
  578   1HB   TYR  80          1HB       TYR  80   8.116   0.129   1.927
  579   2HB   TYR  80          2HB       TYR  80   7.706   1.729   1.349
  580    HD1  TYR  80           HD2      TYR  80  10.790  -0.386   1.901
  581    HD2  TYR  80           HD1      TYR  80   8.634   2.305  -0.698
  582    HE1  TYR  80           HE2      TYR  80  12.423  -0.790   0.126
  583    HE2  TYR  80           HE1      TYR  80  10.251   1.835  -2.504
  584    HH   TYR  80           HH       TYR  80  12.877  -0.551  -2.087
  585    H    SER  81           H        SER  81   7.702   3.893   4.022
  586    HA   SER  81           HA       SER  81   5.539   2.448   5.510
  587   1HB   SER  81          1HB       SER  81   6.249   5.381   5.617
  588   2HB   SER  81          2HB       SER  81   5.224   4.462   6.729
  589    HG   SER  81           HG       SER  81   7.998   4.001   6.260
  590    H    PHE  82           H        PHE  82   3.397   2.555   4.809
  591    HA   PHE  82           HA       PHE  82   2.740   4.522   2.704
  592   1HB   PHE  82          1HB       PHE  82   1.535   2.800   1.412
  593   2HB   PHE  82          2HB       PHE  82   3.232   2.540   1.456
  594    HD1  PHE  82           HD2      PHE  82  -0.033   1.433   2.812
  595    HD2  PHE  82           HD1      PHE  82   4.160   0.399   2.472
  596    HE1  PHE  82           HE2      PHE  82  -0.469  -0.768   3.838
  597    HE2  PHE  82           HE1      PHE  82   3.686  -1.767   3.530
  598    HZ   PHE  82           HZ       PHE  82   1.391  -2.341   4.260
  599    OH   TYR  83           OH       TYR  83   1.250  10.436   1.663
  600    H    TYR  83           H        TYR  83   0.424   4.602   2.235
  601    HA   TYR  83           HA       TYR  83  -1.365   3.950   4.439
  602   1HB   TYR  83          1HB       TYR  83  -1.878   6.332   4.972
  603   2HB   TYR  83          2HB       TYR  83  -0.242   5.857   5.416
  604    HD1  TYR  83           HD1      TYR  83  -2.250   7.878   3.048
  605    HD2  TYR  83           HD2      TYR  83   1.720   6.788   4.321
  606    HE1  TYR  83           HE1      TYR  83  -1.320   9.794   1.786
  607    HE2  TYR  83           HE2      TYR  83   2.645   8.698   3.045
  608    HH   TYR  83           HH       TYR  83   0.585  10.973   1.229
  609    H    CYS  84           H        CYS  84  -3.524   4.798   4.152
  610    HA   CYS  84           HA       CYS  84  -4.349   5.026   1.268
  611   1HB   CYS  84          1HB       CYS  84  -5.335   3.073   2.381
  612   2HB   CYS  84          2HB       CYS  84  -5.709   4.063   3.804
  613    H    SER  85           H        SER  85  -4.193   7.139   0.913
  614    HA   SER  85           HA       SER  85  -4.206   9.196   2.544
  615   1HB   SER  85          1HB       SER  85  -5.137  10.670   0.689
  616   2HB   SER  85          2HB       SER  85  -3.697   9.693   0.382
  617    HG   SER  85           HG       SER  85  -5.124   8.107  -0.555
  618    HA   PRO  86           HA       PRO  86  -8.802  10.417   2.862
  619   1HB   PRO  86          1HB       PRO  86 -10.789   8.573   2.389
  620   2HB   PRO  86          2HB       PRO  86 -10.109   9.639   1.129
  621   1HG   PRO  86          1HG       PRO  86  -9.219   6.813   1.801
  622   2HG   PRO  86          2HG       PRO  86  -9.757   7.428   0.216
  623   1HD   PRO  86          1HD       PRO  86  -7.135   7.369   0.721
  624   2HD   PRO  86          2HD       PRO  86  -7.818   8.886   0.067
  625    H    HIS  87           H        HIS  87  -7.492   7.345   3.907
  626    HA   HIS  87           HA       HIS  87  -9.018   7.564   6.482
  627   1HB   HIS  87          1HB       HIS  87  -7.948   5.134   5.055
  628   2HB   HIS  87          2HB       HIS  87  -8.736   5.130   6.640
  629    HD2  HIS  87           HD2      HIS  87 -11.338   6.702   6.256
  630    HE1  HIS  87           HE1      HIS  87 -12.217   4.065   3.041
  631    HE2  HIS  87           HE2      HIS  87 -13.198   5.715   4.704
  632    H    GLN  88           H        GLN  88  -6.140   8.463   5.228
  633    HA   GLN  88           HA       GLN  88  -4.216   7.157   6.838
  634   1HB   GLN  88          1HB       GLN  88  -3.700   8.602   4.919
  635   2HB   GLN  88          2HB       GLN  88  -4.269  10.029   5.798
  636   1HG   GLN  88          1HG       GLN  88  -2.473   9.715   7.480
  637   2HG   GLN  88          2HG       GLN  88  -1.959   8.231   6.657
  638   1HE2  GLN  88          1HE2      GLN  88   0.446  10.518   5.272
  639   2HE2  GLN  88          2HE2      GLN  88   0.186   9.406   6.603
  640    H    GLY  89           H        GLY  89  -6.119  10.132   7.394
  641   1HA   GLY  89          1HA       GLY  89  -5.245  10.761  10.004
  642   2HA   GLY  89          2HA       GLY  89  -6.827  11.173   9.315
  643    H    ALA  90           H        ALA  90  -7.554   8.308   8.866
  644    HA   ALA  90           HA       ALA  90  -8.572   7.728  11.556
  645   1HB   ALA  90          1HB       ALA  90 -10.048   7.646   9.567
  646   2HB   ALA  90          2HB       ALA  90  -9.070   6.315   8.907
  647   3HB   ALA  90          3HB       ALA  90  -9.964   6.095  10.421
  648    H    GLY  91           H        GLY  91  -5.611   7.121  10.216
  649   1HA   GLY  91          1HA       GLY  91  -3.988   5.789  11.115
  650   2HA   GLY  91          2HA       GLY  91  -5.184   4.806  11.960
  651    H    MET  92           H        MET  92  -5.909   5.199   8.542
  652    HA   MET  92           HA       MET  92  -5.215   2.381   8.171
  653   1HB   MET  92          1HB       MET  92  -7.272   3.347   7.194
  654   2HB   MET  92          2HB       MET  92  -6.258   4.279   6.071
  655   1HG   MET  92          1HG       MET  92  -5.354   2.258   5.095
  656   2HG   MET  92          2HG       MET  92  -5.968   1.269   6.404
  657   1HE   MET  92          1HE       MET  92  -7.620  -0.406   3.461
  658   2HE   MET  92          2HE       MET  92  -6.032   0.387   3.437
  659   3HE   MET  92          3HE       MET  92  -6.541  -0.540   4.861
  660    H    VAL  93           H        VAL  93  -3.022   2.677   8.681
  661    HA   VAL  93           HA       VAL  93  -1.303   3.480   6.392
  662    HB   VAL  93           HB       VAL  93   0.393   4.197   7.877
  663   1HG1  VAL  93          1HG1      VAL  93  -0.592   6.177   8.817
  664   2HG1  VAL  93          2HG1      VAL  93  -1.485   5.808   7.331
  665   3HG1  VAL  93          3HG1      VAL  93  -2.198   5.434   8.908
  666   1HG2  VAL  93          1HG2      VAL  93  -1.463   3.382  10.142
  667   2HG2  VAL  93          2HG2      VAL  93   0.086   2.618   9.712
  668   3HG2  VAL  93          3HG2      VAL  93   0.061   4.280  10.326
  669    H    GLY  94           H        GLY  94   0.852   2.279   6.472
  670   1HA   GLY  94          1HA       GLY  94   0.920  -0.272   7.830
  671   2HA   GLY  94          2HA       GLY  94   0.574  -0.429   6.101
  672    H    LYS  95           H        LYS  95   2.921  -1.530   6.875
  673    HA   LYS  95           HA       LYS  95   4.955   0.275   5.784
  674   1HB   LYS  95          1HB       LYS  95   4.811   0.706   8.283
  675   2HB   LYS  95          2HB       LYS  95   5.245  -1.000   8.530
  676   1HG   LYS  95          1HG       LYS  95   7.435  -0.614   7.507
  677   2HG   LYS  95          2HG       LYS  95   6.950   1.011   6.997
  678   1HD   LYS  95          1HD       LYS  95   8.382   1.173   8.933
  679   2HD   LYS  95          2HD       LYS  95   6.778   1.757   9.342
  680   1HE   LYS  95          1HE       LYS  95   7.555  -1.134   9.924
  681   2HE   LYS  95          2HE       LYS  95   8.103   0.168  10.988
  682   1HZ   LYS  95          1HZ       LYS  95   6.062  -0.821  11.714
  683   2HZ   LYS  95          2HZ       LYS  95   5.891   0.792  11.408
  684   3HZ   LYS  95          3HZ       LYS  95   5.287  -0.318  10.353
  685    H    VAL  96           H        VAL  96   6.601  -0.858   4.773
  686    HA   VAL  96           HA       VAL  96   6.530  -3.800   5.061
  687    HB   VAL  96           HB       VAL  96   5.149  -3.438   3.270
  688   1HG1  VAL  96          1HG1      VAL  96   5.640  -2.198   1.256
  689   2HG1  VAL  96          2HG1      VAL  96   5.952  -1.085   2.595
  690   3HG1  VAL  96          3HG1      VAL  96   7.305  -1.894   1.777
  691   1HG2  VAL  96          1HG2      VAL  96   7.827  -4.163   2.106
  692   2HG2  VAL  96          2HG2      VAL  96   6.796  -5.261   3.070
  693   3HG2  VAL  96          3HG2      VAL  96   6.216  -4.620   1.515
  694    H    THR  97           H        THR  97   8.385  -4.654   5.388
  695    HA   THR  97           HA       THR  97  10.875  -3.062   5.065
  696    HB   THR  97           HB       THR  97  10.466  -5.663   6.563
  697    HG1  THR  97           HG1      THR  97  10.437  -2.979   7.482
  698   1HG2  THR  97          1HG2      THR  97  12.625  -3.500   6.727
  699   2HG2  THR  97          2HG2      THR  97  12.522  -4.957   7.734
  700   3HG2  THR  97          3HG2      THR  97  12.846  -5.100   5.997
  701    H    VAL  98           H        VAL  98  11.719  -3.262   3.055
  702    HA   VAL  98           HA       VAL  98  11.427  -5.704   1.507
  703    HB   VAL  98           HB       VAL  98  12.926  -3.140   0.914
  704   1HG1  VAL  98          1HG1      VAL  98  12.779  -3.949  -1.432
  705   2HG1  VAL  98          2HG1      VAL  98  13.663  -5.129  -0.452
  706   3HG1  VAL  98          3HG1      VAL  98  11.971  -5.429  -0.886
  707   1HG2  VAL  98          1HG2      VAL  98  10.132  -4.086   0.144
  708   2HG2  VAL  98          2HG2      VAL  98  10.498  -2.749   1.251
  709   3HG2  VAL  98          3HG2      VAL  98  10.949  -2.632  -0.447
  710    H    ASN  99           H        ASN  99  12.539  -7.340   2.275
  711    HA   ASN  99           HA       ASN  99  15.152  -7.072   3.617
  712   1HB   ASN  99          1HB       ASN  99  13.180  -9.341   3.131
  713   2HB   ASN  99          2HB       ASN  99  14.819  -9.636   3.716
  714   1HD2  ASN  99          1HD2      ASN  99  12.335  -7.574   6.282
  715   2HD2  ASN  99          2HD2      ASN  99  12.067  -7.327   4.563
   
  Start of MODEL          16
 Raw file had 715 H/Q atoms
  Start of MODEL   16
    1    H    LEU   1           H        LEU   1   3.589 -10.316  -2.850
    2    HA   LEU   1           HA       LEU   1   1.963 -12.281  -1.364
    3   1HB   LEU   1          1HB       LEU   1   3.944 -11.437  -0.302
    4   2HB   LEU   1          2HB       LEU   1   3.371  -9.763  -0.421
    5    HG   LEU   1           HG       LEU   1   1.634 -11.755   1.032
    6   1HD1  LEU   1          1HD1      LEU   1   2.923 -11.453   3.116
    7   2HD1  LEU   1          2HD1      LEU   1   3.877 -12.297   1.886
    8   3HD1  LEU   1          3HD1      LEU   1   4.181 -10.578   2.219
    9   1HD2  LEU   1          1HD2      LEU   1   0.983  -9.318   0.794
   10   2HD2  LEU   1          2HD2      LEU   1   1.181  -9.819   2.476
   11   3HD2  LEU   1          3HD2      LEU   1   2.450  -8.877   1.673
   12    H    GLU   2           H        GLU   2  -0.053 -11.916  -0.708
   13    HA   GLU   2           HA       GLU   2  -1.557  -9.742  -2.031
   14   1HB   GLU   2          1HB       GLU   2  -2.470 -12.253  -0.582
   15   2HB   GLU   2          2HB       GLU   2  -3.546 -11.030  -1.280
   16   1HG   GLU   2          1HG       GLU   2  -2.495 -11.343  -3.501
   17   2HG   GLU   2          2HG       GLU   2  -1.470 -12.632  -2.845
   18    H    VAL   3           H        VAL   3  -2.285  -8.009  -1.050
   19    HA   VAL   3           HA       VAL   3  -2.473  -7.933   1.929
   20    HB   VAL   3           HB       VAL   3  -1.792  -5.643   0.044
   21   1HG1  VAL   3          1HG1      VAL   3  -1.900  -5.867   3.085
   22   2HG1  VAL   3          2HG1      VAL   3  -1.296  -4.458   2.199
   23   3HG1  VAL   3          3HG1      VAL   3  -3.001  -4.921   2.060
   24   1HG2  VAL   3          1HG2      VAL   3   0.129  -7.155   0.158
   25   2HG2  VAL   3          2HG2      VAL   3   0.445  -5.667   1.055
   26   3HG2  VAL   3          3HG2      VAL   3   0.051  -7.156   1.935
   27    H    LEU   4           H        LEU   4  -4.583  -7.660   2.571
   28    HA   LEU   4           HA       LEU   4  -6.586  -6.932   0.484
   29   1HB   LEU   4          1HB       LEU   4  -7.009  -7.962   3.301
   30   2HB   LEU   4          2HB       LEU   4  -8.220  -7.736   2.049
   31    HG   LEU   4           HG       LEU   4  -5.987  -9.797   2.123
   32   1HD1  LEU   4          1HD1      LEU   4  -9.032 -10.005   1.984
   33   2HD1  LEU   4          2HD1      LEU   4  -7.892 -11.367   2.091
   34   3HD1  LEU   4          3HD1      LEU   4  -8.047 -10.235   3.448
   35   1HD2  LEU   4          1HD2      LEU   4  -6.959 -10.642  -0.041
   36   2HD2  LEU   4          2HD2      LEU   4  -7.888  -9.133  -0.168
   37   3HD2  LEU   4          3HD2      LEU   4  -6.104  -9.107  -0.200
   38    H    LEU   5           H        LEU   5  -7.304  -4.804   0.361
   39    HA   LEU   5           HA       LEU   5  -6.858  -2.999   2.624
   40   1HB   LEU   5          1HB       LEU   5  -8.520  -2.551   0.117
   41   2HB   LEU   5          2HB       LEU   5  -8.029  -1.411   1.368
   42    HG   LEU   5           HG       LEU   5  -6.673  -0.801  -0.210
   43   1HD1  LEU   5          1HD1      LEU   5  -4.918  -2.920   1.029
   44   2HD1  LEU   5          2HD1      LEU   5  -4.405  -1.428   0.203
   45   3HD1  LEU   5          3HD1      LEU   5  -5.322  -1.321   1.717
   46   1HD2  LEU   5          1HD2      LEU   5  -6.046  -3.518  -1.267
   47   2HD2  LEU   5          2HD2      LEU   5  -7.302  -2.397  -1.891
   48   3HD2  LEU   5          3HD2      LEU   5  -5.617  -1.913  -1.928
   49    H    GLY   6           H        GLY   6  -8.058  -3.623   4.383
   50   1HA   GLY   6          1HA       GLY   6 -10.096  -3.195   5.485
   51   2HA   GLY   6          2HA       GLY   6 -11.036  -3.785   4.112
   52    H    SER   7           H        SER   7 -10.435  -4.623   7.166
   53    HA   SER   7           HA       SER   7  -9.704  -7.444   6.836
   54   1HB   SER   7          1HB       SER   7 -10.073  -7.342   9.351
   55   2HB   SER   7          2HB       SER   7  -8.900  -6.212   8.635
   56    HG   SER   7           HG       SER   7 -11.565  -5.597   9.401
   57    H    GLY   8           H        GLY   8 -11.788  -6.923   5.316
   58   1HA   GLY   8          1HA       GLY   8 -13.811  -7.875   4.646
   59   2HA   GLY   8          2HA       GLY   8 -13.839  -8.796   6.156
   60    H    ASP   9           H        ASP   9 -13.999  -7.041   8.100
   61    HA   ASP   9           HA       ASP   9 -16.738  -6.140   8.020
   62   1HB   ASP   9          1HB       ASP   9 -16.455  -5.736  10.342
   63   2HB   ASP   9          2HB       ASP   9 -15.530  -7.198   9.988
   64    H    GLY  10           H        GLY  10 -15.077  -4.652   6.153
   65   1HA   GLY  10          1HA       GLY  10 -14.758  -2.551   5.383
   66   2HA   GLY  10          2HA       GLY  10 -16.090  -2.065   6.435
   67    H    SER  11           H        SER  11 -13.423  -3.274   8.288
   68    HA   SER  11           HA       SER  11 -12.972  -0.630   9.331
   69   1HB   SER  11          1HB       SER  11 -12.741  -2.621  10.723
   70   2HB   SER  11          2HB       SER  11 -11.289  -3.101   9.809
   71    HG   SER  11           HG       SER  11 -10.814  -1.890  11.725
   72    H    LEU  12           H        LEU  12 -11.274   0.755   9.056
   73    HA   LEU  12           HA       LEU  12 -10.038   0.723   6.424
   74   1HB   LEU  12          1HB       LEU  12  -9.810   2.692   8.742
   75   2HB   LEU  12          2HB       LEU  12  -9.373   2.995   7.061
   76    HG   LEU  12           HG       LEU  12 -12.210   2.445   8.070
   77   1HD1  LEU  12          1HD1      LEU  12 -10.818   5.002   7.212
   78   2HD1  LEU  12          2HD1      LEU  12 -12.564   4.838   7.504
   79   3HD1  LEU  12          3HD1      LEU  12 -11.414   4.593   8.829
   80   1HD2  LEU  12          1HD2      LEU  12 -12.049   1.637   5.808
   81   2HD2  LEU  12          2HD2      LEU  12 -12.839   3.214   5.751
   82   3HD2  LEU  12          3HD2      LEU  12 -11.126   3.067   5.303
   83    H    VAL  13           H        VAL  13  -8.882  -1.337   7.050
   84    HA   VAL  13           HA       VAL  13  -6.123  -0.578   7.850
   85    HB   VAL  13           HB       VAL  13  -6.844  -1.394   9.845
   86   1HG1  VAL  13          1HG1      VAL  13  -8.102  -3.576  10.155
   87   2HG1  VAL  13          2HG1      VAL  13  -9.037  -2.350   9.303
   88   3HG1  VAL  13          3HG1      VAL  13  -8.279  -3.673   8.391
   89   1HG2  VAL  13          1HG2      VAL  13  -5.684  -3.436  10.303
   90   2HG2  VAL  13          2HG2      VAL  13  -5.708  -3.897   8.596
   91   3HG2  VAL  13          3HG2      VAL  13  -4.755  -2.485   9.137
   92    H    PHE  14           H        PHE  14  -4.541  -1.775   7.092
   93    HA   PHE  14           HA       PHE  14  -4.982  -3.213   4.507
   94   1HB   PHE  14          1HB       PHE  14  -2.522  -2.151   5.975
   95   2HB   PHE  14          2HB       PHE  14  -2.415  -3.174   4.564
   96    HD1  PHE  14           HD1      PHE  14  -3.197   0.210   5.792
   97    HD2  PHE  14           HD2      PHE  14  -2.705  -2.315   2.327
   98    HE1  PHE  14           HE1      PHE  14  -2.801   2.192   4.360
   99    HE2  PHE  14           HE2      PHE  14  -2.221  -0.357   0.973
  100    HZ   PHE  14           HZ       PHE  14  -2.439   1.934   1.920
  101    H    VAL  15           H        VAL  15  -4.967  -5.508   4.592
  102    HA   VAL  15           HA       VAL  15  -3.779  -6.754   7.059
  103    HB   VAL  15           HB       VAL  15  -6.007  -7.777   5.300
  104   1HG1  VAL  15          1HG1      VAL  15  -4.813  -8.823   7.907
  105   2HG1  VAL  15          2HG1      VAL  15  -6.258  -9.463   7.100
  106   3HG1  VAL  15          3HG1      VAL  15  -4.683  -9.603   6.316
  107   1HG2  VAL  15          1HG2      VAL  15  -6.033  -6.514   8.073
  108   2HG2  VAL  15          2HG2      VAL  15  -6.809  -5.876   6.604
  109   3HG2  VAL  15          3HG2      VAL  15  -7.388  -7.383   7.325
  110    HA   PRO  16           HA       PRO  16  -1.870  -7.559   7.620
  111   1HB   PRO  16          1HB       PRO  16   0.803  -7.732   7.327
  112   2HB   PRO  16          2HB       PRO  16  -0.248  -9.176   7.291
  113   1HG   PRO  16          1HG       PRO  16   0.819  -7.630   4.905
  114   2HG   PRO  16          2HG       PRO  16   0.929  -9.390   5.199
  115   1HD   PRO  16          1HD       PRO  16  -1.037  -8.290   3.665
  116   2HD   PRO  16          2HD       PRO  16  -1.381  -9.677   4.726
  117    H    SER  17           H        SER  17  -0.896  -5.706   8.649
  118    HA   SER  17           HA       SER  17  -0.829  -3.284   7.008
  119   1HB   SER  17          1HB       SER  17  -0.247  -3.427   9.985
  120   2HB   SER  17          2HB       SER  17  -0.956  -2.112   9.033
  121    HG   SER  17           HG       SER  17  -2.675  -3.850   8.632
  122    H    GLU  18           H        GLU  18   1.369  -4.938   9.314
  123    HA   GLU  18           HA       GLU  18   3.687  -3.617   8.017
  124   1HB   GLU  18          1HB       GLU  18   3.307  -4.512  10.895
  125   2HB   GLU  18          2HB       GLU  18   4.828  -3.931  10.184
  126   1HG   GLU  18          1HG       GLU  18   3.657  -1.839   9.468
  127   2HG   GLU  18          2HG       GLU  18   2.220  -2.346  10.368
  128    H    PHE  19           H        PHE  19   5.188  -4.910   7.117
  129    HA   PHE  19           HA       PHE  19   5.481  -7.695   7.930
  130   1HB   PHE  19          1HB       PHE  19   4.720  -8.737   5.851
  131   2HB   PHE  19          2HB       PHE  19   3.416  -7.907   6.647
  132    HD1  PHE  19           HD1      PHE  19   2.506  -5.736   5.730
  133    HD2  PHE  19           HD2      PHE  19   5.427  -8.113   3.629
  134    HE1  PHE  19           HE1      PHE  19   1.750  -4.778   3.587
  135    HE2  PHE  19           HE2      PHE  19   4.709  -7.094   1.486
  136    HZ   PHE  19           HZ       PHE  19   2.887  -5.402   1.464
  137    H    SER  20           H        SER  20   6.814  -8.899   6.032
  138    HA   SER  20           HA       SER  20   8.910  -7.112   4.997
  139   1HB   SER  20          1HB       SER  20  10.587  -8.789   5.930
  140   2HB   SER  20          2HB       SER  20   9.724  -7.897   7.202
  141    HG   SER  20           HG       SER  20   8.790 -10.391   6.234
  142    H    VAL  21           H        VAL  21   9.773  -7.855   3.038
  143    HA   VAL  21           HA       VAL  21   9.184 -10.595   2.131
  144    HB   VAL  21           HB       VAL  21   8.489  -9.573  -0.127
  145   1HG1  VAL  21          1HG1      VAL  21   6.123  -9.512   0.441
  146   2HG1  VAL  21          2HG1      VAL  21   6.941 -10.849   1.266
  147   3HG1  VAL  21          3HG1      VAL  21   6.517  -9.379   2.162
  148   1HG2  VAL  21          1HG2      VAL  21   7.360  -7.423  -0.123
  149   2HG2  VAL  21          2HG2      VAL  21   7.739  -7.184   1.590
  150   3HG2  VAL  21          3HG2      VAL  21   9.044  -7.204   0.384
  151    HA   PRO  22           HA       PRO  22  13.254  -9.931   0.634
  152   1HB   PRO  22          1HB       PRO  22  13.535 -11.717  -1.421
  153   2HB   PRO  22          2HB       PRO  22  13.392 -12.201   0.293
  154   1HG   PRO  22          1HG       PRO  22  11.215 -12.125  -1.798
  155   2HG   PRO  22          2HG       PRO  22  11.576 -13.435  -0.644
  156   1HD   PRO  22          1HD       PRO  22   9.610 -11.584  -0.176
  157   2HD   PRO  22          2HD       PRO  22  10.599 -12.257   1.149
  158    H    SER  23           H        SER  23  14.446  -8.859  -0.934
  159    HA   SER  23           HA       SER  23  13.324  -6.807  -2.421
  160   1HB   SER  23          1HB       SER  23  15.906  -8.329  -2.967
  161   2HB   SER  23          2HB       SER  23  15.516  -6.715  -3.584
  162    HG   SER  23           HG       SER  23  15.504  -7.348  -0.806
  163    H    GLY  24           H        GLY  24  12.201  -6.645  -4.291
  164   1HA   GLY  24          1HA       GLY  24  11.797  -7.052  -6.544
  165   2HA   GLY  24          2HA       GLY  24  12.658  -8.590  -6.481
  166    H    GLU  25           H        GLU  25  10.750  -8.891  -3.781
  167    HA   GLU  25           HA       GLU  25   8.860 -10.523  -5.212
  168   1HB   GLU  25          1HB       GLU  25   9.828 -10.678  -2.782
  169   2HB   GLU  25          2HB       GLU  25   8.445  -9.667  -2.352
  170   1HG   GLU  25          1HG       GLU  25   8.301 -12.347  -3.852
  171   2HG   GLU  25          2HG       GLU  25   8.209 -12.203  -2.099
  172    H    LYS  26           H        LYS  26   6.676 -10.120  -5.649
  173    HA   LYS  26           HA       LYS  26   5.947  -7.328  -5.985
  174   1HB   LYS  26          1HB       LYS  26   4.002  -8.306  -7.147
  175   2HB   LYS  26          2HB       LYS  26   5.553  -8.816  -7.816
  176   1HG   LYS  26          1HG       LYS  26   5.353 -11.014  -6.825
  177   2HG   LYS  26          2HG       LYS  26   3.957 -10.519  -5.846
  178   1HD   LYS  26          1HD       LYS  26   2.579 -10.277  -7.833
  179   2HD   LYS  26          2HD       LYS  26   3.981 -10.488  -8.896
  180   1HE   LYS  26          1HE       LYS  26   2.622 -12.549  -8.776
  181   2HE   LYS  26          2HE       LYS  26   4.263 -12.809  -8.165
  182   1HZ   LYS  26          1HZ       LYS  26   3.413 -12.622  -5.946
  183   2HZ   LYS  26          2HZ       LYS  26   1.887 -12.338  -6.499
  184   3HZ   LYS  26          3HZ       LYS  26   2.603 -13.797  -6.765
  185    H    ILE  27           H        ILE  27   3.828  -6.508  -5.368
  186    HA   ILE  27           HA       ILE  27   2.646  -7.739  -2.943
  187    HB   ILE  27           HB       ILE  27   2.985  -4.757  -3.284
  188   1HG1  ILE  27          1HG1      ILE  27   4.788  -6.609  -1.651
  189   2HG1  ILE  27          2HG1      ILE  27   5.269  -5.739  -3.119
  190   1HG2  ILE  27          1HG2      ILE  27   1.158  -5.623  -1.824
  191   2HG2  ILE  27          2HG2      ILE  27   2.359  -6.530  -0.881
  192   3HG2  ILE  27          3HG2      ILE  27   2.369  -4.757  -0.888
  193   1HD1  ILE  27          1HD1      ILE  27   4.786  -3.570  -2.003
  194   2HD1  ILE  27          2HD1      ILE  27   4.520  -4.452  -0.480
  195   3HD1  ILE  27          3HD1      ILE  27   6.101  -4.510  -1.273
  196    H    VAL  28           H        VAL  28   0.497  -7.924  -3.202
  197    HA   VAL  28           HA       VAL  28  -0.880  -6.600  -5.512
  198    HB   VAL  28           HB       VAL  28  -1.315  -9.335  -4.242
  199   1HG1  VAL  28          1HG1      VAL  28  -3.441  -8.364  -5.074
  200   2HG1  VAL  28          2HG1      VAL  28  -2.668  -8.036  -6.640
  201   3HG1  VAL  28          3HG1      VAL  28  -2.905  -9.705  -6.091
  202   1HG2  VAL  28          1HG2      VAL  28  -0.173  -8.580  -6.957
  203   2HG2  VAL  28          2HG2      VAL  28   0.723  -9.319  -5.612
  204   3HG2  VAL  28          3HG2      VAL  28  -0.563 -10.224  -6.416
  205    H    PHE  29           H        PHE  29  -1.742  -4.829  -4.440
  206    HA   PHE  29           HA       PHE  29  -3.062  -5.178  -1.823
  207   1HB   PHE  29          1HB       PHE  29  -2.691  -2.783  -3.599
  208   2HB   PHE  29          2HB       PHE  29  -3.513  -2.766  -2.050
  209    HD1  PHE  29           HD2      PHE  29  -2.297  -3.108   0.060
  210    HD2  PHE  29           HD1      PHE  29  -0.272  -2.858  -3.730
  211    HE1  PHE  29           HE2      PHE  29  -0.188  -2.471   1.232
  212    HE2  PHE  29           HE1      PHE  29   1.860  -2.341  -2.530
  213    HZ   PHE  29           HZ       PHE  29   1.885  -2.089  -0.082
  214    H    LYS  30           H        LYS  30  -4.868  -6.445  -2.136
  215    HA   LYS  30           HA       LYS  30  -6.741  -5.942  -4.356
  216   1HB   LYS  30          1HB       LYS  30  -5.987  -8.225  -3.715
  217   2HB   LYS  30          2HB       LYS  30  -6.776  -8.006  -2.152
  218   1HG   LYS  30          1HG       LYS  30  -8.979  -7.764  -3.275
  219   2HG   LYS  30          2HG       LYS  30  -8.183  -7.902  -4.856
  220   1HD   LYS  30          1HD       LYS  30  -7.398 -10.184  -4.261
  221   2HD   LYS  30          2HD       LYS  30  -8.180 -10.039  -2.674
  222   1HE   LYS  30          1HE       LYS  30 -10.389  -9.779  -3.788
  223   2HE   LYS  30          2HE       LYS  30  -9.605  -9.931  -5.375
  224   1HZ   LYS  30          1HZ       LYS  30  -8.898 -12.122  -4.734
  225   2HZ   LYS  30          2HZ       LYS  30  -9.629 -11.975  -3.264
  226   3HZ   LYS  30          3HZ       LYS  30 -10.537 -11.991  -4.638
  227    H    ASN  31           H        ASN  31  -8.595  -4.794  -4.181
  228    HA   ASN  31           HA       ASN  31  -9.318  -3.457  -1.736
  229   1HB   ASN  31          1HB       ASN  31  -9.835  -2.557  -4.006
  230   2HB   ASN  31          2HB       ASN  31 -10.931  -3.903  -4.297
  231   1HD2  ASN  31          1HD2      ASN  31 -13.269  -1.334  -3.248
  232   2HD2  ASN  31          2HD2      ASN  31 -12.432  -1.995  -4.635
  233    H    ASN  32           H        ASN  32 -10.317  -4.446   0.032
  234    HA   ASN  32           HA       ASN  32 -12.020  -6.838  -0.513
  235   1HB   ASN  32          1HB       ASN  32 -10.066  -7.051   0.991
  236   2HB   ASN  32          2HB       ASN  32 -10.824  -5.932   2.117
  237   1HD2  ASN  32          1HD2      ASN  32 -11.898  -8.996   3.606
  238   2HD2  ASN  32          2HD2      ASN  32 -10.628  -7.765   3.622
  239    H    ALA  33           H        ALA  33 -11.928  -4.155   1.831
  240    HA   ALA  33           HA       ALA  33 -14.697  -3.359   1.255
  241   1HB   ALA  33          1HB       ALA  33 -14.043  -4.722   3.907
  242   2HB   ALA  33          2HB       ALA  33 -15.588  -3.951   3.485
  243   3HB   ALA  33          3HB       ALA  33 -15.064  -5.404   2.626
  244    H    GLY  34           H        GLY  34 -15.403  -1.604   2.896
  245   1HA   GLY  34          1HA       GLY  34 -14.983   0.348   4.053
  246   2HA   GLY  34          2HA       GLY  34 -13.383  -0.277   4.485
  247    H    PHE  35           H        PHE  35 -14.204  -0.249   1.147
  248    HA   PHE  35           HA       PHE  35 -12.074   1.532   0.373
  249   1HB   PHE  35          1HB       PHE  35 -12.747   0.701  -1.885
  250   2HB   PHE  35          2HB       PHE  35 -12.526  -0.468  -0.651
  251    HD1  PHE  35           HD1      PHE  35 -15.335   1.594  -2.046
  252    HD2  PHE  35           HD2      PHE  35 -13.903  -2.286  -0.830
  253    HE1  PHE  35           HE1      PHE  35 -17.531   0.580  -2.634
  254    HE2  PHE  35           HE2      PHE  35 -16.099  -3.278  -1.352
  255    HZ   PHE  35           HZ       PHE  35 -17.875  -1.884  -2.346
  256    HA   PRO  36           HA       PRO  36 -12.433   2.621  -2.180
  257   1HB   PRO  36          1HB       PRO  36 -11.600   4.970  -3.006
  258   2HB   PRO  36          2HB       PRO  36 -13.250   4.402  -3.319
  259   1HG   PRO  36          1HG       PRO  36 -12.394   6.210  -1.029
  260   2HG   PRO  36          2HG       PRO  36 -13.698   6.508  -2.222
  261   1HD   PRO  36          1HD       PRO  36 -14.248   5.364   0.186
  262   2HD   PRO  36          2HD       PRO  36 -15.054   4.771  -1.292
  263    H    HIS  37           H        HIS  37 -10.148   2.647  -2.624
  264    HA   HIS  37           HA       HIS  37  -8.409   3.593  -0.441
  265   1HB   HIS  37          1HB       HIS  37  -8.624   0.710  -1.385
  266   2HB   HIS  37          2HB       HIS  37  -7.379   1.236  -0.283
  267    HD2  HIS  37           HD2      HIS  37 -10.172  -0.803  -0.193
  268    HE1  HIS  37           HE1      HIS  37 -10.372   1.013   3.633
  269    HE2  HIS  37           HE2      HIS  37 -11.040  -1.016   2.247
  270    H    ASN  38           H        ASN  38  -6.101   3.385  -0.854
  271    HA   ASN  38           HA       ASN  38  -5.192   2.628  -3.458
  272   1HB   ASN  38          1HB       ASN  38  -4.263   4.820  -4.071
  273   2HB   ASN  38          2HB       ASN  38  -6.015   4.854  -4.005
  274   1HD2  ASN  38          1HD2      ASN  38  -5.387   7.977  -2.465
  275   2HD2  ASN  38          2HD2      ASN  38  -5.667   7.195  -4.016
  276    H    VAL  39           H        VAL  39  -2.694   3.379  -3.412
  277    HA   VAL  39           HA       VAL  39  -1.661   2.998  -0.644
  278    HB   VAL  39           HB       VAL  39  -0.656   1.509  -3.096
  279   1HG1  VAL  39          1HG1      VAL  39   1.033   1.989  -1.308
  280   2HG1  VAL  39          2HG1      VAL  39  -0.032   1.201  -0.122
  281   3HG1  VAL  39          3HG1      VAL  39   0.671   0.271  -1.461
  282   1HG2  VAL  39          1HG2      VAL  39  -2.564   0.672  -0.879
  283   2HG2  VAL  39          2HG2      VAL  39  -2.778   0.514  -2.633
  284   3HG2  VAL  39          3HG2      VAL  39  -1.595  -0.489  -1.788
  285    H    VAL  40           H        VAL  40  -0.558   4.765  -0.232
  286    HA   VAL  40           HA       VAL  40   1.138   6.009  -2.327
  287    HB   VAL  40           HB       VAL  40  -0.165   7.324   0.090
  288   1HG1  VAL  40          1HG1      VAL  40   1.266   8.489  -2.350
  289   2HG1  VAL  40          2HG1      VAL  40   0.521   9.424  -1.044
  290   3HG1  VAL  40          3HG1      VAL  40   1.930   8.405  -0.708
  291   1HG2  VAL  40          1HG2      VAL  40  -1.662   8.461  -1.544
  292   2HG2  VAL  40          2HG2      VAL  40  -1.051   7.393  -2.822
  293   3HG2  VAL  40          3HG2      VAL  40  -1.965   6.727  -1.451
  294    H    PHE  41           H        PHE  41   3.297   6.061  -1.774
  295    HA   PHE  41           HA       PHE  41   4.085   4.845   0.810
  296   1HB   PHE  41          1HB       PHE  41   5.529   5.374  -1.784
  297   2HB   PHE  41          2HB       PHE  41   6.342   4.835  -0.333
  298    HD1  PHE  41           HD2      PHE  41   5.903   2.654   0.700
  299    HD2  PHE  41           HD1      PHE  41   3.958   3.796  -2.950
  300    HE1  PHE  41           HE2      PHE  41   5.426   0.259   0.212
  301    HE2  PHE  41           HE1      PHE  41   3.299   1.432  -3.341
  302    HZ   PHE  41           HZ       PHE  41   4.074  -0.345  -1.784
  303    H    ASP  42           H        ASP  42   5.155   5.969   2.377
  304    HA   ASP  42           HA       ASP  42   4.933   8.850   2.324
  305   1HB   ASP  42          1HB       ASP  42   4.656   7.512   4.373
  306   2HB   ASP  42          2HB       ASP  42   6.361   7.038   4.279
  307    H    GLU  43           H        GLU  43   6.142   9.898   0.937
  308    HA   GLU  43           HA       GLU  43   8.456   9.500  -0.303
  309   1HB   GLU  43          1HB       GLU  43   8.707  11.908  -0.487
  310   2HB   GLU  43          2HB       GLU  43   7.028  11.409  -0.682
  311   1HG   GLU  43          1HG       GLU  43   8.267  12.718   1.786
  312   2HG   GLU  43          2HG       GLU  43   7.179  13.471   0.624
  313    H    ASP  44           H        ASP  44   8.412  10.481   3.134
  314    HA   ASP  44           HA       ASP  44  11.351  10.787   3.154
  315   1HB   ASP  44          1HB       ASP  44   9.249  10.962   5.360
  316   2HB   ASP  44          2HB       ASP  44  10.984  11.181   5.589
  317    H    GLU  45           H        GLU  45   8.911   8.643   4.665
  318    HA   GLU  45           HA       GLU  45  10.982   6.851   5.687
  319   1HB   GLU  45          1HB       GLU  45   7.974   6.605   5.810
  320   2HB   GLU  45          2HB       GLU  45   9.157   5.702   6.769
  321   1HG   GLU  45          1HG       GLU  45   8.559   8.700   6.910
  322   2HG   GLU  45          2HG       GLU  45   8.198   7.476   8.124
  323    H    ILE  46           H        ILE  46  11.570   6.779   3.264
  324    HA   ILE  46           HA       ILE  46  11.168   4.020   2.412
  325    HB   ILE  46           HB       ILE  46  10.901   4.717   0.019
  326   1HG1  ILE  46          1HG1      ILE  46  10.147   7.437   1.115
  327   2HG1  ILE  46          2HG1      ILE  46  11.649   7.071   0.268
  328   1HG2  ILE  46          1HG2      ILE  46   8.538   4.937   0.014
  329   2HG2  ILE  46          2HG2      ILE  46   8.996   3.855   1.319
  330   3HG2  ILE  46          3HG2      ILE  46   8.504   5.512   1.691
  331   1HD1  ILE  46          1HD1      ILE  46  10.290   6.311  -1.719
  332   2HD1  ILE  46          2HD1      ILE  46   8.854   6.978  -0.903
  333   3HD1  ILE  46          3HD1      ILE  46  10.205   8.039  -1.336
  334    HA   PRO  47           HA       PRO  47  15.510   4.535   1.742
  335   1HB   PRO  47          1HB       PRO  47  15.157   3.493  -1.072
  336   2HB   PRO  47          2HB       PRO  47  16.352   3.004   0.157
  337   1HG   PRO  47          1HG       PRO  47  14.182   1.464  -0.302
  338   2HG   PRO  47          2HG       PRO  47  14.681   1.811   1.380
  339   1HD   PRO  47          1HD       PRO  47  12.476   3.160  -0.192
  340   2HD   PRO  47          2HD       PRO  47  12.464   2.527   1.478
  341    H    ALA  48           H        ALA  48  16.117   6.651   1.615
  342    HA   ALA  48           HA       ALA  48  15.123   8.655  -0.013
  343   1HB   ALA  48          1HB       ALA  48  17.143   9.923   0.598
  344   2HB   ALA  48          2HB       ALA  48  16.449   9.075   1.995
  345   3HB   ALA  48          3HB       ALA  48  17.907   8.436   1.200
  346    H    GLY  49           H        GLY  49  15.033   8.602  -2.165
  347   1HA   GLY  49          1HA       GLY  49  16.597   9.150  -4.121
  348   2HA   GLY  49          2HA       GLY  49  17.312   7.558  -3.802
  349    H    VAL  50           H        VAL  50  14.638   6.418  -2.930
  350    HA   VAL  50           HA       VAL  50  13.814   5.565  -5.584
  351    HB   VAL  50           HB       VAL  50  12.704   4.994  -2.806
  352   1HG1  VAL  50          1HG1      VAL  50  10.898   4.661  -4.424
  353   2HG1  VAL  50          2HG1      VAL  50  12.006   3.813  -5.527
  354   3HG1  VAL  50          3HG1      VAL  50  11.556   3.080  -3.980
  355   1HG2  VAL  50          1HG2      VAL  50  14.360   3.293  -4.733
  356   2HG2  VAL  50          2HG2      VAL  50  15.015   4.112  -3.304
  357   3HG2  VAL  50          3HG2      VAL  50  13.813   2.825  -3.110
  358    H    ASP  51           H        ASP  51  12.504   6.734  -6.860
  359    HA   ASP  51           HA       ASP  51  11.112   9.064  -6.036
  360   1HB   ASP  51          1HB       ASP  51  11.788   8.820  -8.335
  361   2HB   ASP  51          2HB       ASP  51  10.872   7.310  -8.507
  362    H    ALA  52           H        ALA  52   9.593   8.861  -4.475
  363    HA   ALA  52           HA       ALA  52   7.890   6.803  -3.833
  364   1HB   ALA  52          1HB       ALA  52   8.184   8.859  -2.497
  365   2HB   ALA  52          2HB       ALA  52   7.205   9.764  -3.671
  366   3HB   ALA  52          3HB       ALA  52   6.476   8.442  -2.732
  367    H    VAL  53           H        VAL  53   7.380   9.323  -6.321
  368    HA   VAL  53           HA       VAL  53   4.678   8.742  -6.895
  369    HB   VAL  53           HB       VAL  53   6.802   9.852  -8.770
  370   1HG1  VAL  53          1HG1      VAL  53   4.815   9.231 -10.039
  371   2HG1  VAL  53          2HG1      VAL  53   3.761  10.021  -8.844
  372   3HG1  VAL  53          3HG1      VAL  53   4.859  10.984  -9.854
  373   1HG2  VAL  53          1HG2      VAL  53   5.917  12.066  -8.043
  374   2HG2  VAL  53          2HG2      VAL  53   4.900  11.256  -6.835
  375   3HG2  VAL  53          3HG2      VAL  53   6.671  11.208  -6.701
  376    H    LYS  54           H        LYS  54   7.617   6.952  -7.866
  377    HA   LYS  54           HA       LYS  54   6.192   5.640 -10.050
  378   1HB   LYS  54          1HB       LYS  54   8.085   4.627 -10.631
  379   2HB   LYS  54          2HB       LYS  54   8.763   6.018  -9.787
  380   1HG   LYS  54          1HG       LYS  54   9.069   4.509  -7.758
  381   2HG   LYS  54          2HG       LYS  54   8.465   3.158  -8.743
  382   1HD   LYS  54          1HD       LYS  54  10.299   3.602 -10.402
  383   2HD   LYS  54          2HD       LYS  54  10.956   4.815  -9.285
  384   1HE   LYS  54          1HE       LYS  54  11.151   3.031  -7.530
  385   2HE   LYS  54          2HE       LYS  54  10.547   1.839  -8.694
  386   1HZ   LYS  54          1HZ       LYS  54  12.918   1.834  -8.572
  387   2HZ   LYS  54          2HZ       LYS  54  12.434   2.315 -10.071
  388   3HZ   LYS  54          3HZ       LYS  54  13.001   3.426  -8.993
  389    H    ILE  55           H        ILE  55   6.694   5.006  -6.646
  390    HA   ILE  55           HA       ILE  55   5.589   2.254  -6.790
  391    HB   ILE  55           HB       ILE  55   6.030   2.158  -4.447
  392   1HG1  ILE  55          1HG1      ILE  55   7.553   4.780  -4.888
  393   2HG1  ILE  55          2HG1      ILE  55   6.063   4.595  -3.929
  394   1HG2  ILE  55          1HG2      ILE  55   8.376   1.721  -4.729
  395   2HG2  ILE  55          2HG2      ILE  55   7.560   1.291  -6.228
  396   3HG2  ILE  55          3HG2      ILE  55   8.474   2.814  -6.120
  397   1HD1  ILE  55          1HD1      ILE  55   7.326   2.768  -2.677
  398   2HD1  ILE  55          2HD1      ILE  55   8.794   3.433  -3.438
  399   3HD1  ILE  55          3HD1      ILE  55   7.830   4.460  -2.359
  400    H    SER  56           H        SER  56   4.644   5.506  -5.804
  401    HA   SER  56           HA       SER  56   2.268   4.642  -4.340
  402   1HB   SER  56          1HB       SER  56   3.248   7.384  -5.182
  403   2HB   SER  56          2HB       SER  56   1.966   7.068  -4.031
  404    HG   SER  56           HG       SER  56   4.735   6.543  -3.853
  405    H    MET  57           H        MET  57   0.147   4.849  -4.949
  406    HA   MET  57           HA       MET  57  -0.513   5.403  -7.748
  407   1HB   MET  57          1HB       MET  57  -2.198   5.157  -5.203
  408   2HB   MET  57          2HB       MET  57  -2.860   5.373  -6.831
  409   1HG   MET  57          1HG       MET  57  -1.887   3.242  -7.546
  410   2HG   MET  57          2HG       MET  57  -1.117   3.037  -5.967
  411   1HE   MET  57          1HE       MET  57  -4.849   4.363  -6.519
  412   2HE   MET  57          2HE       MET  57  -5.697   2.810  -6.575
  413   3HE   MET  57          3HE       MET  57  -4.554   3.234  -7.867
  414    HA   PRO  58           HA       PRO  58  -0.589   9.848  -6.941
  415   1HB   PRO  58          1HB       PRO  58  -2.564  10.727  -8.687
  416   2HB   PRO  58          2HB       PRO  58  -0.875  10.368  -9.127
  417   1HG   PRO  58          1HG       PRO  58  -3.299   8.611  -9.424
  418   2HG   PRO  58          2HG       PRO  58  -1.987   8.858 -10.605
  419   1HD   PRO  58          1HD       PRO  58  -2.131   6.664  -8.970
  420   2HD   PRO  58          2HD       PRO  58  -0.553   7.387  -9.407
  421    H    GLU  59           H        GLU  59  -1.467  10.600  -5.157
  422    HA   GLU  59           HA       GLU  59  -3.192   9.528  -3.472
  423   1HB   GLU  59          1HB       GLU  59  -2.954  12.550  -3.830
  424   2HB   GLU  59          2HB       GLU  59  -3.435  11.680  -2.377
  425   1HG   GLU  59          1HG       GLU  59  -1.255  11.993  -1.824
  426   2HG   GLU  59          2HG       GLU  59  -1.053  10.475  -2.698
  427    H    GLU  60           H        GLU  60  -4.381  11.523  -6.108
  428    HA   GLU  60           HA       GLU  60  -7.086  11.699  -5.025
  429   1HB   GLU  60          1HB       GLU  60  -5.560  12.786  -7.356
  430   2HB   GLU  60          2HB       GLU  60  -7.231  12.361  -7.723
  431   1HG   GLU  60          1HG       GLU  60  -7.087  14.690  -6.981
  432   2HG   GLU  60          2HG       GLU  60  -8.085  13.718  -5.890
  433    H    GLU  61           H        GLU  61  -5.407   9.451  -7.184
  434    HA   GLU  61           HA       GLU  61  -7.913   8.292  -8.146
  435   1HB   GLU  61          1HB       GLU  61  -4.997   7.450  -8.433
  436   2HB   GLU  61          2HB       GLU  61  -6.362   6.685  -9.236
  437   1HG   GLU  61          1HG       GLU  61  -5.501   9.586  -9.622
  438   2HG   GLU  61          2HG       GLU  61  -5.273   8.253 -10.771
  439    H    LEU  62           H        LEU  62  -8.652   6.199  -7.675
  440    HA   LEU  62           HA       LEU  62  -7.438   4.665  -5.561
  441   1HB   LEU  62          1HB       LEU  62  -9.527   4.970  -4.052
  442   2HB   LEU  62          2HB       LEU  62  -8.131   6.029  -3.973
  443    HG   LEU  62           HG       LEU  62  -9.328   7.736  -5.390
  444   1HD1  LEU  62          1HD1      LEU  62 -10.982   6.428  -6.565
  445   2HD1  LEU  62          2HD1      LEU  62 -11.688   5.835  -5.054
  446   3HD1  LEU  62          3HD1      LEU  62 -11.817   7.550  -5.490
  447   1HD2  LEU  62          1HD2      LEU  62 -10.681   8.496  -3.521
  448   2HD2  LEU  62          2HD2      LEU  62 -10.525   6.887  -2.766
  449   3HD2  LEU  62          3HD2      LEU  62  -9.082   7.878  -3.046
  450    H    LEU  63           H        LEU  63  -8.393   2.734  -5.102
  451    HA   LEU  63           HA       LEU  63 -10.009   1.497  -7.197
  452   1HB   LEU  63          1HB       LEU  63  -9.031   0.389  -4.528
  453   2HB   LEU  63          2HB       LEU  63  -9.649  -0.526  -5.903
  454    HG   LEU  63           HG       LEU  63  -7.017   1.011  -5.758
  455   1HD1  LEU  63          1HD1      LEU  63  -7.104  -1.083  -4.460
  456   2HD1  LEU  63          2HD1      LEU  63  -7.706  -1.949  -5.887
  457   3HD1  LEU  63          3HD1      LEU  63  -6.065  -1.283  -5.881
  458   1HD2  LEU  63          1HD2      LEU  63  -6.531  -0.076  -7.962
  459   2HD2  LEU  63          2HD2      LEU  63  -8.213  -0.636  -8.037
  460   3HD2  LEU  63          3HD2      LEU  63  -7.847   1.105  -8.078
  461    H    ASN  64           H        ASN  64 -12.208   1.353  -7.003
  462    HA   ASN  64           HA       ASN  64 -13.481   1.770  -4.314
  463   1HB   ASN  64          1HB       ASN  64 -13.883   3.662  -5.834
  464   2HB   ASN  64          2HB       ASN  64 -14.603   2.562  -7.024
  465   1HD2  ASN  64          1HD2      ASN  64 -17.707   2.397  -5.290
  466   2HD2  ASN  64          2HD2      ASN  64 -16.796   1.938  -6.715
  467    H    ALA  65           H        ALA  65 -13.860   0.101  -7.521
  468    HA   ALA  65           HA       ALA  65 -16.029  -1.473  -6.577
  469   1HB   ALA  65          1HB       ALA  65 -15.576  -2.876  -8.582
  470   2HB   ALA  65          2HB       ALA  65 -15.599  -1.141  -8.967
  471   3HB   ALA  65          3HB       ALA  65 -14.050  -2.006  -8.833
  472    HA   PRO  66           HA       PRO  66 -13.704  -4.221  -3.944
  473   1HB   PRO  66          1HB       PRO  66 -15.349  -6.423  -3.834
  474   2HB   PRO  66          2HB       PRO  66 -15.659  -4.890  -2.980
  475   1HG   PRO  66          1HG       PRO  66 -16.773  -5.777  -5.651
  476   2HG   PRO  66          2HG       PRO  66 -17.674  -5.090  -4.267
  477   1HD   PRO  66          1HD       PRO  66 -16.919  -3.557  -6.359
  478   2HD   PRO  66          2HD       PRO  66 -16.797  -2.904  -4.696
  479    H    GLY  67           H        GLY  67 -12.146  -5.892  -4.226
  480   1HA   GLY  67          1HA       GLY  67 -11.316  -7.845  -5.189
  481   2HA   GLY  67          2HA       GLY  67 -12.366  -7.681  -6.592
  482    H    GLU  68           H        GLU  68 -11.535  -4.751  -6.951
  483    HA   GLU  68           HA       GLU  68  -9.516  -5.156  -8.843
  484   1HB   GLU  68          1HB       GLU  68 -10.142  -2.626  -7.256
  485   2HB   GLU  68          2HB       GLU  68  -9.190  -2.692  -8.749
  486   1HG   GLU  68          1HG       GLU  68 -12.132  -3.492  -8.503
  487   2HG   GLU  68          2HG       GLU  68 -11.514  -1.987  -9.187
  488    H    THR  69           H        THR  69  -7.298  -5.194  -8.854
  489    HA   THR  69           HA       THR  69  -5.898  -5.198  -6.227
  490    HB   THR  69           HB       THR  69  -4.283  -6.632  -7.593
  491    HG1  THR  69           HG1      THR  69  -5.199  -5.948  -9.604
  492   1HG2  THR  69          1HG2      THR  69  -5.616  -8.664  -7.331
  493   2HG2  THR  69          2HG2      THR  69  -5.832  -7.564  -5.951
  494   3HG2  THR  69          3HG2      THR  69  -7.101  -7.699  -7.194
  495    OH   TYR  70           OH       TYR  70   1.610   1.706  -7.409
  496    H    TYR  70           H        TYR  70  -4.481  -3.596  -5.905
  497    HA   TYR  70           HA       TYR  70  -3.211  -2.236  -8.253
  498   1HB   TYR  70          1HB       TYR  70  -3.981  -0.683  -6.566
  499   2HB   TYR  70          2HB       TYR  70  -3.171  -1.563  -5.290
  500    HD1  TYR  70           HD2      TYR  70  -2.389  -0.023  -8.647
  501    HD2  TYR  70           HD1      TYR  70  -1.074  -0.664  -4.588
  502    HE1  TYR  70           HE2      TYR  70  -0.285   1.191  -9.130
  503    HE2  TYR  70           HE1      TYR  70   0.998   0.609  -5.064
  504    HH   TYR  70           HH       TYR  70   2.179   1.867  -6.647
  505    H    VAL  71           H        VAL  71  -1.533  -3.438  -9.011
  506    HA   VAL  71           HA       VAL  71   0.042  -5.079  -7.131
  507    HB   VAL  71           HB       VAL  71   0.139  -5.024 -10.164
  508   1HG1  VAL  71          1HG1      VAL  71   2.172  -5.954  -9.144
  509   2HG1  VAL  71          2HG1      VAL  71   1.199  -6.948  -8.041
  510   3HG1  VAL  71          3HG1      VAL  71   1.197  -7.280  -9.788
  511   1HG2  VAL  71          1HG2      VAL  71  -1.411  -6.837  -8.263
  512   2HG2  VAL  71          2HG2      VAL  71  -2.110  -5.735  -9.469
  513   3HG2  VAL  71          3HG2      VAL  71  -1.183  -7.143  -9.996
  514    H    VAL  72           H        VAL  72   2.181  -4.664  -6.677
  515    HA   VAL  72           HA       VAL  72   3.741  -2.728  -8.251
  516    HB   VAL  72           HB       VAL  72   2.476  -1.350  -6.618
  517   1HG1  VAL  72          1HG1      VAL  72   3.012  -1.440  -4.237
  518   2HG1  VAL  72          2HG1      VAL  72   2.258  -2.957  -4.774
  519   3HG1  VAL  72          3HG1      VAL  72   4.013  -2.883  -4.480
  520   1HG2  VAL  72          1HG2      VAL  72   4.746  -0.669  -7.418
  521   2HG2  VAL  72          2HG2      VAL  72   4.279  -0.014  -5.842
  522   3HG2  VAL  72          3HG2      VAL  72   5.431  -1.348  -5.919
  523    H    THR  73           H        THR  73   6.035  -2.738  -7.367
  524    HA   THR  73           HA       THR  73   6.790  -5.196  -5.939
  525    HB   THR  73           HB       THR  73   7.725  -4.614  -8.793
  526    HG1  THR  73           HG1      THR  73   5.619  -6.060  -7.772
  527   1HG2  THR  73          1HG2      THR  73   8.738  -6.875  -8.640
  528   2HG2  THR  73          2HG2      THR  73   9.451  -5.771  -7.450
  529   3HG2  THR  73          3HG2      THR  73   8.245  -6.974  -6.942
  530    H    LEU  74           H        LEU  74   8.664  -4.878  -4.797
  531    HA   LEU  74           HA       LEU  74  10.033  -2.229  -5.139
  532   1HB   LEU  74          1HB       LEU  74   9.593  -3.793  -2.592
  533   2HB   LEU  74          2HB       LEU  74  10.353  -2.200  -2.783
  534    HG   LEU  74           HG       LEU  74   7.413  -2.846  -3.336
  535   1HD1  LEU  74          1HD1      LEU  74   6.983  -1.526  -1.313
  536   2HD1  LEU  74          2HD1      LEU  74   8.001  -2.931  -0.944
  537   3HD1  LEU  74          3HD1      LEU  74   8.728  -1.314  -1.061
  538   1HD2  LEU  74          1HD2      LEU  74   8.935  -0.202  -3.358
  539   2HD2  LEU  74          2HD2      LEU  74   8.145  -0.968  -4.751
  540   3HD2  LEU  74          3HD2      LEU  74   7.167  -0.354  -3.417
  541    H    ASP  75           H        ASP  75  11.968  -2.563  -6.021
  542    HA   ASP  75           HA       ASP  75  13.442  -5.087  -5.639
  543   1HB   ASP  75          1HB       ASP  75  13.318  -4.111  -7.870
  544   2HB   ASP  75          2HB       ASP  75  14.024  -2.592  -7.280
  545    H    THR  76           H        THR  76  13.815  -1.582  -4.844
  546    HA   THR  76           HA       THR  76  16.419  -1.848  -3.718
  547    HB   THR  76           HB       THR  76  15.091   0.464  -2.673
  548    HG1  THR  76           HG1      THR  76  13.373   0.496  -3.960
  549   1HG2  THR  76          1HG2      THR  76  17.345   0.391  -3.626
  550   2HG2  THR  76          2HG2      THR  76  16.656   0.121  -5.251
  551   3HG2  THR  76          3HG2      THR  76  16.348   1.648  -4.390
  552    H    LYS  77           H        LYS  77  16.981  -2.507  -1.680
  553    HA   LYS  77           HA       LYS  77  15.055  -3.534   0.174
  554   1HB   LYS  77          1HB       LYS  77  18.024  -2.845   0.383
  555   2HB   LYS  77          2HB       LYS  77  17.120  -3.598   1.704
  556   1HG   LYS  77          1HG       LYS  77  16.593  -5.525   0.399
  557   2HG   LYS  77          2HG       LYS  77  17.308  -4.822  -1.068
  558   1HD   LYS  77          1HD       LYS  77  19.536  -4.847  -0.058
  559   2HD   LYS  77          2HD       LYS  77  18.872  -5.358   1.503
  560   1HE   LYS  77          1HE       LYS  77  19.915  -7.242   0.282
  561   2HE   LYS  77          2HE       LYS  77  18.189  -7.517   0.574
  562   1HZ   LYS  77          1HZ       LYS  77  17.732  -6.890  -1.647
  563   2HZ   LYS  77          2HZ       LYS  77  19.317  -6.531  -1.953
  564   3HZ   LYS  77          3HZ       LYS  77  18.862  -8.087  -1.650
  565    H    GLY  78           H        GLY  78  14.762  -2.888   2.382
  566   1HA   GLY  78          1HA       GLY  78  15.325  -1.086   4.046
  567   2HA   GLY  78          2HA       GLY  78  14.821   0.090   2.832
  568    H    THR  79           H        THR  79  13.543   0.461   5.014
  569    HA   THR  79           HA       THR  79  11.047  -1.100   5.158
  570    HB   THR  79           HB       THR  79  12.009   1.185   6.915
  571    HG1  THR  79           HG1      THR  79  12.753  -0.527   8.253
  572   1HG2  THR  79          1HG2      THR  79   9.590   0.597   7.101
  573   2HG2  THR  79          2HG2      THR  79  10.030  -1.103   7.380
  574   3HG2  THR  79          3HG2      THR  79  10.481   0.142   8.562
  575    OH   TYR  80           OH       TYR  80  12.376   0.298  -2.430
  576    H    TYR  80           H        TYR  80   9.497  -0.448   3.772
  577    HA   TYR  80           HA       TYR  80   9.309   2.417   2.961
  578   1HB   TYR  80          1HB       TYR  80   8.240  -0.165   1.797
  579   2HB   TYR  80          2HB       TYR  80   7.708   1.417   1.267
  580    HD1  TYR  80           HD2      TYR  80  10.907  -0.492   1.781
  581    HD2  TYR  80           HD1      TYR  80   8.649   2.208  -0.697
  582    HE1  TYR  80           HE2      TYR  80  12.614  -0.682   0.044
  583    HE2  TYR  80           HE1      TYR  80  10.283   1.877  -2.521
  584    HH   TYR  80           HH       TYR  80  12.946  -0.452  -2.223
  585    H    SER  81           H        SER  81   7.938   3.542   4.271
  586    HA   SER  81           HA       SER  81   5.633   2.168   5.519
  587   1HB   SER  81          1HB       SER  81   6.415   5.083   5.607
  588   2HB   SER  81          2HB       SER  81   5.242   4.262   6.646
  589    HG   SER  81           HG       SER  81   8.019   3.642   6.466
  590    H    PHE  82           H        PHE  82   3.482   2.398   4.818
  591    HA   PHE  82           HA       PHE  82   2.955   4.290   2.615
  592   1HB   PHE  82          1HB       PHE  82   1.721   2.558   1.369
  593   2HB   PHE  82          2HB       PHE  82   3.417   2.250   1.473
  594    HD1  PHE  82           HD1      PHE  82   0.100   1.302   2.885
  595    HD2  PHE  82           HD2      PHE  82   4.247   0.131   2.498
  596    HE1  PHE  82           HE1      PHE  82  -0.398  -0.874   3.931
  597    HE2  PHE  82           HE2      PHE  82   3.701  -2.055   3.501
  598    HZ   PHE  82           HZ       PHE  82   1.397  -2.546   4.266
  599    OH   TYR  83           OH       TYR  83   1.131  10.549   1.316
  600    H    TYR  83           H        TYR  83   0.702   4.499   2.126
  601    HA   TYR  83           HA       TYR  83  -1.196   3.984   4.288
  602   1HB   TYR  83          1HB       TYR  83  -1.630   6.341   4.759
  603   2HB   TYR  83          2HB       TYR  83   0.042   5.935   5.137
  604    HD1  TYR  83           HD1      TYR  83   1.916   6.786   3.747
  605    HD2  TYR  83           HD2      TYR  83  -2.171   7.887   2.944
  606    HE1  TYR  83           HE1      TYR  83   2.693   8.730   2.437
  607    HE2  TYR  83           HE2      TYR  83  -1.382   9.872   1.676
  608    HH   TYR  83           HH       TYR  83   2.087  10.620   1.266
  609    H    CYS  84           H        CYS  84  -3.320   4.846   3.866
  610    HA   CYS  84           HA       CYS  84  -4.002   4.923   0.936
  611   1HB   CYS  84          1HB       CYS  84  -5.086   3.090   2.144
  612   2HB   CYS  84          2HB       CYS  84  -5.500   4.189   3.470
  613    H    SER  85           H        SER  85  -4.086   7.046   0.289
  614    HA   SER  85           HA       SER  85  -3.999   9.142   2.008
  615   1HB   SER  85          1HB       SER  85  -4.715  10.663   0.173
  616   2HB   SER  85          2HB       SER  85  -3.354   9.585  -0.167
  617    HG   SER  85           HG       SER  85  -5.154   9.778  -1.801
  618    HA   PRO  86           HA       PRO  86  -8.636  10.258   2.015
  619   1HB   PRO  86          1HB       PRO  86 -10.528   8.316   1.513
  620   2HB   PRO  86          2HB       PRO  86  -9.846   9.401   0.271
  621   1HG   PRO  86          1HG       PRO  86  -8.912   6.606   0.972
  622   2HG   PRO  86          2HG       PRO  86  -9.340   7.232  -0.646
  623   1HD   PRO  86          1HD       PRO  86  -6.771   7.208   0.058
  624   2HD   PRO  86          2HD       PRO  86  -7.453   8.685  -0.674
  625    H    HIS  87           H        HIS  87  -7.076   7.502   3.407
  626    HA   HIS  87           HA       HIS  87  -8.767   7.808   5.852
  627   1HB   HIS  87          1HB       HIS  87  -7.730   5.237   4.653
  628   2HB   HIS  87          2HB       HIS  87  -8.595   5.381   6.185
  629    HD2  HIS  87           HD2      HIS  87 -11.118   7.006   5.567
  630    HE1  HIS  87           HE1      HIS  87 -11.913   4.312   2.382
  631    HE2  HIS  87           HE2      HIS  87 -12.921   6.047   3.937
  632    H    GLN  88           H        GLN  88  -5.960   8.757   4.744
  633    HA   GLN  88           HA       GLN  88  -4.013   7.475   6.361
  634   1HB   GLN  88          1HB       GLN  88  -3.569   9.019   4.457
  635   2HB   GLN  88          2HB       GLN  88  -4.093  10.386   5.447
  636   1HG   GLN  88          1HG       GLN  88  -2.260   9.907   7.064
  637   2HG   GLN  88          2HG       GLN  88  -1.793   8.488   6.107
  638   1HE2  GLN  88          1HE2      GLN  88   0.612  10.826   4.827
  639   2HE2  GLN  88          2HE2      GLN  88   0.376   9.599   6.057
  640    H    GLY  89           H        GLY  89  -6.027  10.373   6.931
  641   1HA   GLY  89          1HA       GLY  89  -5.210  11.020   9.551
  642   2HA   GLY  89          2HA       GLY  89  -6.805  11.361   8.853
  643    H    ALA  90           H        ALA  90  -7.450   8.510   8.382
  644    HA   ALA  90           HA       ALA  90  -8.460   7.871  11.052
  645   1HB   ALA  90          1HB       ALA  90  -8.793   6.398   8.412
  646   2HB   ALA  90          2HB       ALA  90  -9.719   6.141   9.903
  647   3HB   ALA  90          3HB       ALA  90  -9.873   7.674   9.023
  648    H    GLY  91           H        GLY  91  -5.441   7.389   9.752
  649   1HA   GLY  91          1HA       GLY  91  -3.748   6.133  10.596
  650   2HA   GLY  91          2HA       GLY  91  -4.877   5.205  11.589
  651    H    MET  92           H        MET  92  -5.630   5.409   8.119
  652    HA   MET  92           HA       MET  92  -5.107   2.537   7.941
  653   1HB   MET  92          1HB       MET  92  -7.085   3.543   6.884
  654   2HB   MET  92          2HB       MET  92  -6.024   4.412   5.750
  655   1HG   MET  92          1HG       MET  92  -5.208   2.338   4.819
  656   2HG   MET  92          2HG       MET  92  -5.860   1.412   6.165
  657   1HE   MET  92          1HE       MET  92  -6.016   0.407   3.228
  658   2HE   MET  92          2HE       MET  92  -6.466  -0.386   4.747
  659   3HE   MET  92          3HE       MET  92  -7.622  -0.349   3.404
  660    H    VAL  93           H        VAL  93  -2.899   2.646   8.446
  661    HA   VAL  93           HA       VAL  93  -1.096   3.268   6.171
  662    HB   VAL  93           HB       VAL  93   0.586   4.065   7.652
  663   1HG1  VAL  93          1HG1      VAL  93  -1.984   5.414   8.586
  664   2HG1  VAL  93          2HG1      VAL  93  -0.363   6.112   8.461
  665   3HG1  VAL  93          3HG1      VAL  93  -1.260   5.685   6.995
  666   1HG2  VAL  93          1HG2      VAL  93   0.204   4.307  10.088
  667   2HG2  VAL  93          2HG2      VAL  93  -1.328   3.422   9.930
  668   3HG2  VAL  93          3HG2      VAL  93   0.216   2.609   9.587
  669    H    GLY  94           H        GLY  94   1.065   2.093   6.411
  670   1HA   GLY  94          1HA       GLY  94   1.139  -0.354   7.930
  671   2HA   GLY  94          2HA       GLY  94   0.763  -0.642   6.219
  672    H    LYS  95           H        LYS  95   3.113  -1.709   6.967
  673    HA   LYS  95           HA       LYS  95   5.138   0.035   5.718
  674   1HB   LYS  95          1HB       LYS  95   5.675  -1.247   8.430
  675   2HB   LYS  95          2HB       LYS  95   6.790  -0.295   7.446
  676   1HG   LYS  95          1HG       LYS  95   5.184   1.668   7.706
  677   2HG   LYS  95          2HG       LYS  95   4.315   0.696   8.914
  678   1HD   LYS  95          1HD       LYS  95   6.508   0.451  10.165
  679   2HD   LYS  95          2HD       LYS  95   7.242   1.564   8.994
  680   1HE   LYS  95          1HE       LYS  95   4.944   2.192  10.905
  681   2HE   LYS  95          2HE       LYS  95   6.613   2.773  11.016
  682   1HZ   LYS  95          1HZ       LYS  95   4.673   3.417   8.914
  683   2HZ   LYS  95          2HZ       LYS  95   5.282   4.439  10.053
  684   3HZ   LYS  95          3HZ       LYS  95   6.262   3.846   8.860
  685    H    VAL  96           H        VAL  96   6.316  -1.099   4.281
  686    HA   VAL  96           HA       VAL  96   6.398  -4.067   4.655
  687    HB   VAL  96           HB       VAL  96   5.085  -3.626   2.821
  688   1HG1  VAL  96          1HG1      VAL  96   5.985  -1.300   2.183
  689   2HG1  VAL  96          2HG1      VAL  96   7.350  -2.145   1.426
  690   3HG1  VAL  96          3HG1      VAL  96   5.705  -2.405   0.829
  691   1HG2  VAL  96          1HG2      VAL  96   6.197  -4.885   1.148
  692   2HG2  VAL  96          2HG2      VAL  96   7.799  -4.460   1.783
  693   3HG2  VAL  96          3HG2      VAL  96   6.698  -5.473   2.748
  694    H    THR  97           H        THR  97   8.239  -4.904   5.042
  695    HA   THR  97           HA       THR  97  10.723  -3.295   4.855
  696    HB   THR  97           HB       THR  97  10.544  -6.030   6.101
  697    HG1  THR  97           HG1      THR  97   8.823  -4.861   6.978
  698   1HG2  THR  97          1HG2      THR  97  12.261  -5.119   7.572
  699   2HG2  THR  97          2HG2      THR  97  12.757  -4.957   5.878
  700   3HG2  THR  97          3HG2      THR  97  12.152  -3.539   6.770
  701    H    VAL  98           H        VAL  98  11.573  -3.379   2.791
  702    HA   VAL  98           HA       VAL  98  11.449  -5.833   1.214
  703    HB   VAL  98           HB       VAL  98  12.832  -3.184   0.646
  704   1HG1  VAL  98          1HG1      VAL  98  12.627  -4.004  -1.715
  705   2HG1  VAL  98          2HG1      VAL  98  13.593  -5.127  -0.741
  706   3HG1  VAL  98          3HG1      VAL  98  11.898  -5.502  -1.121
  707   1HG2  VAL  98          1HG2      VAL  98  10.836  -2.676  -0.681
  708   2HG2  VAL  98          2HG2      VAL  98  10.044  -4.160  -0.108
  709   3HG2  VAL  98          3HG2      VAL  98  10.399  -2.831   1.014
  710    H    ASN  99           H        ASN  99  12.638  -7.345   2.201
  711    HA   ASN  99           HA       ASN  99  15.243  -6.713   3.471
  712   1HB   ASN  99          1HB       ASN  99  13.356  -7.899   4.636
  713   2HB   ASN  99          2HB       ASN  99  13.611  -9.277   3.551
  714   1HD2  ASN  99          1HD2      ASN  99  15.616  -9.426   6.857
  715   2HD2  ASN  99          2HD2      ASN  99  13.967  -8.924   6.563
   
   
  No H/Q in entry =         715