*HEADER   TRANSFERASE                             15-NOV-96   1E2B    
*TITLE    NMR STRUCTURE OF THE C10S MUTANT OF ENZYME IIB CELLOBIOSE OF
*TITLE   2 THE PHOSPHOENOL-PYRUVATE DEPENDENT PHOSPHOTRANSFERASE      
*TITLE   3 SYSTEM OF ESCHERICHIA COLI, 17 STRUCTURES                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ENZYME IIB-CELLOBIOSE;                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 EC: 2.7.1.69;                                              
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: C10S                                             
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 STRAIN: K12;                                               
*SOURCE  4 CELLULAR_LOCATION: CYTOPLASM;                              
*SOURCE  5 GENE: CELA;                                                
*SOURCE  6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  7 EXPRESSION_SYSTEM_STRAIN: W3110;                           
*SOURCE  8 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;            
*SOURCE  9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                    
*SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PJR-IIBC10S                     
*KEYWDS   ENZYME IIB-CELLOBIOSE, PHOSPHOTRANSFERASE SYSTEM,           
*KEYWDS  2 TRANSFERASE, SUGAR TRANSPORT, PHOSPHORYLATION              
*EXPDTA   NMR, 17 STRUCTURES                                          
*AUTHOR   E.AB,G.SCHUURMAN-WOLTERS,J.REIZER,M.H.SAIER,K.DIJKSTRA,     
*AUTHOR  2 R.M.SCHEEK,G.T.ROBILLARD                                   
*REVDAT  1   23-JUL-97 1E2B    0                                      

constraint     1 met     hb1         1 met     hg1       3.375  0.000   8
constraint     1 met     hb1         1 met     hg2       3.375  0.000   7
constraint     1 met     hb2         1 met     hg1       3.375  0.000   6
constraint     1 met     hb2         1 met     hg2       3.375  0.000   5
constraint    14 met     hb1        14 met     hg1       3.375  0.000   4
constraint    14 met     hb1        14 met     hg2       3.375  0.000   3
constraint    14 met     hb2        14 met     hg1       3.375  0.000   2
constraint    14 met     hb2        14 met     hg2       3.375  0.000   1
constraint     2 glu      ha         2 glu     hg1       3.514  0.000   8
constraint     2 glu      ha         2 glu     hg2       3.514  0.000   7
constraint     2 glu      ha        33 pro     hb1       3.514  0.000   6
constraint     2 glu      ha        33 pro     hb2       3.514  0.000   5
constraint     2 glu     hg1         3 lys      ha       3.514  0.000   4
constraint     2 glu     hg2         3 lys      ha       3.514  0.000   3
constraint     3 lys      ha        33 pro     hb1       3.514  0.000   2
constraint     3 lys      ha        33 pro     hb2       3.514  0.000   1
constraint     2 glu      ha         3 lys       h       2.869  0.000   2
constraint     3 lys       h         3 lys      ha       2.869  0.000   1
constraint     2 glu     hb1         3 lys       h       4.360  0.000   2
constraint     2 glu     hb2         3 lys       h       4.360  0.000   1
constraint     2 glu     hg1         3 lys       h       4.550  0.000   4
constraint     2 glu     hg2         3 lys       h       4.550  0.000   3
constraint     3 lys       h        33 pro     hb1       4.550  0.000   2
constraint     3 lys       h        33 pro     hb2       4.550  0.000   1
constraint     2 glu     hg1         3 lys       h       5.000  0.000   2
constraint     2 glu     hg2         3 lys       h       5.000  0.000   1
constraint     2 glu     hg1         3 lys     hb1       5.000  0.000   8
constraint     2 glu     hg1         3 lys     hb2       5.000  0.000   7
constraint     2 glu     hg2         3 lys     hb1       5.000  0.000   6
constraint     2 glu     hg2         3 lys     hb2       5.000  0.000   5
constraint     3 lys     hb1        33 pro     hb1       5.000  0.000   4
constraint     3 lys     hb1        33 pro     hb2       5.000  0.000   3
constraint     3 lys     hb2        33 pro     hb1       5.000  0.000   2
constraint     3 lys     hb2        33 pro     hb2       5.000  0.000   1
constraint     2 glu     hg1         3 lys     hg1       4.035  0.000   8
constraint     2 glu     hg1         3 lys     hg2       4.035  0.000   7
constraint     2 glu     hg2         3 lys     hg1       4.035  0.000   6
constraint     2 glu     hg2         3 lys     hg2       4.035  0.000   5
constraint     3 lys     hg1        33 pro     hb1       4.035  0.000   4
constraint     3 lys     hg1        33 pro     hb2       4.035  0.000   3
constraint     3 lys     hg2        33 pro     hb1       4.035  0.000   2
constraint     3 lys     hg2        33 pro     hb2       4.035  0.000   1
constraint     3 lys       h         3 lys     hb1       3.619  0.000   2
constraint     3 lys       h         3 lys     hb2       3.619  0.000   1
constraint     3 lys       h         3 lys     hg1       3.635  0.000   4
constraint     3 lys       h         3 lys     hg2       3.635  0.000   3
constraint     3 lys       h         3 lys     hd1       3.635  0.000   2
constraint     3 lys       h         3 lys     hd2       3.635  0.000   1
constraint     3 lys      ha         3 lys     hb1       3.490  0.000   2
constraint     3 lys      ha         3 lys     hb2       3.490  0.000   1
constraint     3 lys      ha         3 lys     hg1       3.563  0.000   4
constraint     3 lys      ha         3 lys     hg2       3.563  0.000   3
constraint     3 lys      ha         3 lys     hd1       3.563  0.000   2
constraint     3 lys      ha         3 lys     hd2       3.563  0.000   1
constraint     3 lys      ha         3 lys     he1       4.169  0.000   2
constraint     3 lys      ha         3 lys     he2       4.169  0.000   1
constraint     3 lys      ha         4 lys       h       2.200  0.000   1
constraint     3 lys      ha         4 lys       h       3.031  0.000   1
constraint     3 lys      ha        33 pro      ha       4.541  0.000   1
constraint     3 lys      ha        33 pro     hb1       3.386  0.000   2
constraint     3 lys      ha        33 pro     hb2       3.386  0.000   1
constraint     3 lys      ha        34 val       h       4.759  0.000   2
constraint    14 met      ha        18 leu       h       4.759  0.000   1
constraint     3 lys      ha        34 val      ha       4.109  0.000   1
constraint     3 lys     hb1         3 lys     he1       4.251  0.000   4
constraint     3 lys     hb1         3 lys     he2       4.251  0.000   3
constraint     3 lys     hb2         3 lys     he1       4.251  0.000   2
constraint     3 lys     hb2         3 lys     he2       4.251  0.000   1
constraint     3 lys     hb1         4 lys       h       3.921  0.000   2
constraint     3 lys     hb2         4 lys       h       3.921  0.000   1
constraint     3 lys     hb1        34 val       h       3.506  0.000   4
constraint     3 lys     hb2        34 val       h       3.506  0.000   3
constraint    67 ile       h        67 ile    hg11       3.506  0.000   2
constraint    67 ile       h        67 ile    hg12       3.506  0.000   1
constraint     3 lys     hb1        34 val      ha       3.651  0.000   3
constraint     3 lys     hb2        34 val      ha       3.651  0.000   2
constraint    36 ile      ha        37 glu     hb1       3.651  0.000   1
constraint     3 lys     hg1         3 lys     he1       3.472  0.000   4
constraint     3 lys     hg1         3 lys     he2       3.472  0.000   3
constraint     3 lys     hg2         3 lys     he1       3.472  0.000   2
constraint     3 lys     hg2         3 lys     he2       3.472  0.000   1
constraint     3 lys     hg1         4 lys       h       4.899  0.000   2
constraint     3 lys     hg2         4 lys       h       4.899  0.000   1
constraint     3 lys     he1         4 lys       h       4.747  0.000   4
constraint     3 lys     he2         4 lys       h       4.747  0.000   3
constraint     4 lys       h         4 lys     he1       4.747  0.000   2
constraint     4 lys       h         4 lys     he2       4.747  0.000   1
constraint     3 lys     he1        33 pro      ha       4.394  0.000   2
constraint     3 lys     he2        33 pro      ha       4.394  0.000   1
constraint     3 lys     he1        34 val       h       5.000  0.000   2
constraint     3 lys     he2        34 val       h       5.000  0.000   1
constraint     4 lys       h         4 lys     hd1       3.454  0.000   9
constraint     4 lys       h         4 lys     hd2       3.454  0.000   8
constraint    18 leu     hb1        22 lys       h       3.454  0.000   7
constraint    18 leu     hb2        22 lys       h       3.454  0.000   6
constraint    18 leu      hg        22 lys       h       3.454  0.000   5
constraint    22 lys       h        22 lys     hg1       3.454  0.000   4
constraint    22 lys       h        22 lys     hg2       3.454  0.000   3
constraint    86 lys     hg1        88 asp       h       3.454  0.000   2
constraint    86 lys     hg2        88 asp       h       3.454  0.000   1
constraint     4 lys       h         5 his       h       5.000  0.000   1
constraint     4 lys       h         5 his      ha       6.000  0.000   1
constraint     4 lys       h         5 his     hd2       6.000  0.000   1
constraint     4 lys       h        33 pro      ha       6.000  0.000   1
constraint     4 lys       h        34 val       h       5.000  0.000   1
constraint     4 lys       h        34 val      ha       3.394  0.000   1
constraint     4 lys       h        34 val    hg13       3.542  0.000  12
constraint     4 lys       h        34 val    hg12       3.542  0.000  11
constraint     4 lys       h        34 val    hg11       3.542  0.000  10
constraint     4 lys       h        34 val    hg23       3.542  0.000   9
constraint     4 lys       h        34 val    hg22       3.542  0.000   8
constraint     4 lys       h        34 val    hg21       3.542  0.000   7
constraint    19 leu    hd13        88 asp       h       3.542  0.000   6
constraint    19 leu    hd12        88 asp       h       3.542  0.000   5
constraint    19 leu    hd11        88 asp       h       3.542  0.000   4
constraint    19 leu    hd23        88 asp       h       3.542  0.000   3
constraint    19 leu    hd22        88 asp       h       3.542  0.000   2
constraint    19 leu    hd21        88 asp       h       3.542  0.000   1
constraint     4 lys       h        34 val    hg13       4.164  0.000  12
constraint     4 lys       h        34 val    hg12       4.164  0.000  11
constraint     4 lys       h        34 val    hg11       4.164  0.000  10
constraint     4 lys       h        34 val    hg23       4.164  0.000   9
constraint     4 lys       h        34 val    hg22       4.164  0.000   8
constraint     4 lys       h        34 val    hg21       4.164  0.000   7
constraint    87 val    hg13        88 asp       h       4.164  0.000   6
constraint    87 val    hg12        88 asp       h       4.164  0.000   5
constraint    87 val    hg11        88 asp       h       4.164  0.000   4
constraint    87 val    hg23        88 asp       h       4.164  0.000   3
constraint    87 val    hg22        88 asp       h       4.164  0.000   2
constraint    87 val    hg21        88 asp       h       4.164  0.000   1
constraint     4 lys       h        35 ile       h       4.410  0.000   1
constraint     4 lys       h        35 ile      hb       5.000  0.000   3
constraint     4 lys       h        35 ile    hg11       5.000  0.000   2
constraint     4 lys       h        35 ile    hg12       5.000  0.000   1
constraint     4 lys       h        35 ile    hg23       3.952  0.000  15
constraint     4 lys       h        35 ile    hg22       3.952  0.000  14
constraint     4 lys       h        35 ile    hg21       3.952  0.000  13
constraint    18 leu    hd13        22 lys       h       3.952  0.000  12
constraint    18 leu    hd12        22 lys       h       3.952  0.000  11
constraint    18 leu    hd11        22 lys       h       3.952  0.000  10
constraint    18 leu    hd23        22 lys       h       3.952  0.000   9
constraint    18 leu    hd22        22 lys       h       3.952  0.000   8
constraint    18 leu    hd21        22 lys       h       3.952  0.000   7
constraint    83 leu    hd13        88 asp       h       3.952  0.000   6
constraint    83 leu    hd12        88 asp       h       3.952  0.000   5
constraint    83 leu    hd11        88 asp       h       3.952  0.000   4
constraint    83 leu    hd23        88 asp       h       3.952  0.000   3
constraint    83 leu    hd22        88 asp       h       3.952  0.000   2
constraint    83 leu    hd21        88 asp       h       3.952  0.000   1
constraint     4 lys      ha         4 lys     hg1       3.407  0.000   4
constraint     4 lys      ha         4 lys     hg2       3.407  0.000   3
constraint     4 lys      ha         4 lys     hd1       3.407  0.000   2
constraint     4 lys      ha         4 lys     hd2       3.407  0.000   1
constraint     4 lys      ha         4 lys     hd1       3.881  0.000   2
constraint     4 lys      ha         4 lys     hd2       3.881  0.000   1
constraint     4 lys      ha         4 lys     he1       4.709  0.000   2
constraint     4 lys      ha         4 lys     he2       4.709  0.000   1
constraint     4 lys      ha         5 his       h       2.500  0.000   1
constraint     4 lys      ha         5 his       h       3.195  0.000   1
constraint     4 lys      ha         5 his      ha       4.993  0.000   1
constraint     4 lys      ha         5 his     hb1       4.410  0.000   4
constraint     4 lys      ha         5 his     hb2       4.410  0.000   3
constraint     4 lys      ha        52 asp     hb1       4.410  0.000   2
constraint     4 lys      ha        52 asp     hb2       4.410  0.000   1
constraint     4 lys      ha         5 his     hb1       5.000  0.000   2
constraint     4 lys      ha         5 his     hb2       5.000  0.000   1
constraint     4 lys      ha         5 his     hd2       4.421  0.000   1
constraint     4 lys      ha         5 his     hd2       4.594  0.000   1
constraint     4 lys      ha        34 val      ha       5.000  0.000   1
constraint     4 lys      ha        34 val    hg13       4.348  0.000   6
constraint     4 lys      ha        34 val    hg12       4.348  0.000   5
constraint     4 lys      ha        34 val    hg11       4.348  0.000   4
constraint     4 lys      ha        34 val    hg23       4.348  0.000   3
constraint     4 lys      ha        34 val    hg22       4.348  0.000   2
constraint     4 lys      ha        34 val    hg21       4.348  0.000   1
constraint     4 lys      ha        52 asp       h       5.000  0.000   1
constraint     4 lys      ha        52 asp     hb1       6.000  0.000   2
constraint     4 lys      ha        52 asp     hb2       6.000  0.000   1
constraint     4 lys     hb1         5 his       h       3.729  0.000   2
constraint     4 lys     hb2         5 his       h       3.729  0.000   1
constraint     4 lys     hb1         5 his       h       4.396  0.000   1
constraint     4 lys     hb1        34 val      ha       3.833  0.000   9
constraint     4 lys     hb2        34 val      ha       3.833  0.000   8
constraint     8 leu      ha        79 ile    hg11       3.833  0.000   7
constraint     8 leu      ha        79 ile    hg12       3.833  0.000   6
constraint    23 met     he3        36 ile      ha       3.833  0.000   5
constraint    23 met     he2        36 ile      ha       3.833  0.000   4
constraint    23 met     he1        36 ile      ha       3.833  0.000   3
constraint    24 arg     hg2        34 val      ha       3.833  0.000   2
constraint    24 arg     hg2        36 ile      ha       3.833  0.000   1
constraint     4 lys     hb1        52 asp     hb1       4.525  0.000   4
constraint     4 lys     hb1        52 asp     hb2       4.525  0.000   3
constraint     4 lys     hb2        52 asp     hb1       4.525  0.000   2
constraint     4 lys     hb2        52 asp     hb2       4.525  0.000   1
constraint     4 lys     hb2         5 his       h       4.396  0.000   1
constraint     4 lys     hg1        52 asp     hb1       4.722  0.000  10
constraint     4 lys     hg1        52 asp     hb2       4.722  0.000   9
constraint     4 lys     hg2        52 asp     hb1       4.722  0.000   8
constraint     4 lys     hg2        52 asp     hb2       4.722  0.000   7
constraint    43 leu     hb1        44 ala      ha       4.722  0.000   6
constraint    43 leu     hb1        47 lys     he2       4.722  0.000   5
constraint    43 leu     hb2        44 ala      ha       4.722  0.000   4
constraint    43 leu     hb2        47 lys     he2       4.722  0.000   3
constraint    43 leu      hg        44 ala      ha       4.722  0.000   2
constraint    43 leu      hg        47 lys     he2       4.722  0.000   1
constraint     4 lys     hd1         5 his       h       5.000  0.000   4
constraint     4 lys     hd2         5 his       h       5.000  0.000   3
constraint     5 his       h         6 ile    hg11       5.000  0.000   2
constraint     5 his       h         6 ile    hg12       5.000  0.000   1
constraint     4 lys     hd1         5 his       h       7.000  0.000   4
constraint     4 lys     hd2         5 his       h       7.000  0.000   3
constraint     5 his       h         6 ile    hg11       7.000  0.000   2
constraint     5 his       h         6 ile    hg12       7.000  0.000   1
constraint     4 lys     hd1         5 his       h       4.315  0.000   2
constraint     4 lys     hd2         5 his       h       4.315  0.000   1
constraint     5 his       h         5 his      ha       4.224  0.000   1
constraint     5 his       h         5 his     hb1       3.613  0.000   4
constraint     5 his       h         5 his     hb2       3.613  0.000   3
constraint     5 his       h        52 asp     hb1       3.613  0.000   2
constraint     5 his       h        52 asp     hb2       3.613  0.000   1
constraint     5 his       h         5 his     hb1       3.768  0.000   2
constraint     5 his       h         5 his     hb2       3.768  0.000   1
constraint     5 his       h         5 his     hd2       4.309  0.000   1
constraint     5 his       h         6 ile       h       5.000  0.000   1
constraint     5 his       h         7 tyr     he1       7.000  0.000   2
constraint     5 his       h         7 tyr     he2       7.000  0.000   1
constraint     5 his       h         7 tyr     he1       8.000  0.000   2
constraint     5 his       h         7 tyr     he2       8.000  0.000   1
constraint     5 his       h        34 val      ha       6.000  0.000   1
constraint     5 his       h        34 val      ha       8.000  0.000   1
constraint     5 his       h        35 ile       h       7.000  0.000   1
constraint     5 his       h        51 ala      ha       4.465  0.000   1
constraint     5 his       h        51 ala     hb3       5.000  0.000   3
constraint     5 his       h        51 ala     hb2       5.000  0.000   2
constraint     5 his       h        51 ala     hb1       5.000  0.000   1
constraint     5 his       h        52 asp       h       4.313  0.000   1
constraint     5 his       h        52 asp     hb1       4.240  0.000   2
constraint     5 his       h        52 asp     hb2       4.240  0.000   1
constraint     5 his       h        53 val       h       5.000  0.000   1
constraint     5 his      ha         5 his     hd2       4.211  0.000   1
constraint     5 his      ha         6 ile       h       3.119  0.000   1
constraint     5 his      ha         6 ile      ha       4.566  0.000   1
constraint     5 his      ha         6 ile      hb       4.499  0.000   1
constraint     5 his      ha         6 ile    hg11       5.000  0.000   2
constraint     5 his      ha         6 ile    hg12       5.000  0.000   1
constraint     5 his      ha         6 ile     hd3       5.000  0.000   9
constraint     5 his      ha         6 ile     hd2       5.000  0.000   8
constraint     5 his      ha         6 ile     hd1       5.000  0.000   7
constraint     5 his      ha        34 val    hg13       5.000  0.000   6
constraint     5 his      ha        34 val    hg12       5.000  0.000   5
constraint     5 his      ha        34 val    hg11       5.000  0.000   4
constraint     5 his      ha        34 val    hg23       5.000  0.000   3
constraint     5 his      ha        34 val    hg22       5.000  0.000   2
constraint     5 his      ha        34 val    hg21       5.000  0.000   1
constraint     5 his      ha         7 tyr     hd1       5.000  0.000   2
constraint     5 his      ha         7 tyr     hd2       5.000  0.000   1
constraint     5 his      ha         7 tyr     he1       4.672  0.000   2
constraint     5 his      ha         7 tyr     he2       4.672  0.000   1
constraint     5 his      ha        34 val      hb       6.000  0.000   1
constraint     5 his      ha        34 val    hg13       5.000  0.000   9
constraint     5 his      ha        34 val    hg12       5.000  0.000   8
constraint     5 his      ha        34 val    hg11       5.000  0.000   7
constraint     5 his      ha        34 val    hg23       5.000  0.000   6
constraint     5 his      ha        34 val    hg22       5.000  0.000   5
constraint     5 his      ha        34 val    hg21       5.000  0.000   4
constraint     5 his      ha        35 ile     hd3       5.000  0.000   3
constraint     5 his      ha        35 ile     hd2       5.000  0.000   2
constraint     5 his      ha        35 ile     hd1       5.000  0.000   1
constraint     5 his      ha        34 val    hg13       4.664  0.000   6
constraint     5 his      ha        34 val    hg12       4.664  0.000   5
constraint     5 his      ha        34 val    hg11       4.664  0.000   4
constraint     5 his      ha        34 val    hg23       4.664  0.000   3
constraint     5 his      ha        34 val    hg22       4.664  0.000   2
constraint     5 his      ha        34 val    hg21       4.664  0.000   1
constraint     5 his      ha        35 ile       h       3.933  0.000   1
constraint     5 his      ha        35 ile      ha       6.000  0.000   1
constraint     5 his      ha        35 ile      hb       3.576  0.000   3
constraint     5 his      ha        35 ile    hg11       3.576  0.000   2
constraint     5 his      ha        35 ile    hg12       3.576  0.000   1
constraint     5 his      ha        35 ile    hg23       4.418  0.000   3
constraint     5 his      ha        35 ile    hg22       4.418  0.000   2
constraint     5 his      ha        35 ile    hg21       4.418  0.000   1
constraint     5 his      ha        36 ile       h       7.000  0.000   1
constraint     5 his      ha        36 ile      ha       4.363  0.000   1
constraint     5 his      ha        51 ala      ha       5.000  0.000   1
constraint     5 his      ha        52 asp       h       5.000  0.000   1
constraint     5 his     hb1         5 his     hd2       4.323  0.000   2
constraint     5 his     hb2         5 his     hd2       4.323  0.000   1
constraint     5 his     hb1         6 ile       h       4.142  0.000   2
constraint     5 his     hb2         6 ile       h       4.142  0.000   1
constraint     5 his     hb1         6 ile       h       4.874  0.000   1
constraint     5 his     hb1         6 ile      ha       4.752  0.000   4
constraint     5 his     hb2         6 ile      ha       4.752  0.000   3
constraint     6 ile      ha         7 tyr     hb1       4.752  0.000   2
constraint     6 ile      ha         7 tyr     hb2       4.752  0.000   1
constraint     5 his     hb1         6 ile      ha       5.000  0.000   6
constraint     5 his     hb2         6 ile      ha       5.000  0.000   5
constraint     6 ile      ha        52 asp     hb1       5.000  0.000   4
constraint     6 ile      ha        52 asp     hb2       5.000  0.000   3
constraint    52 asp     hb1        53 val      ha       5.000  0.000   2
constraint    52 asp     hb2        53 val      ha       5.000  0.000   1
constraint     5 his     hb1         7 tyr     hd1       4.472  0.000   4
constraint     5 his     hb1         7 tyr     hd2       4.472  0.000   3
constraint     5 his     hb2         7 tyr     hd1       4.472  0.000   2
constraint     5 his     hb2         7 tyr     hd2       4.472  0.000   1
constraint     5 his     hb1         7 tyr     he1       3.802  0.000   4
constraint     5 his     hb1         7 tyr     he2       3.802  0.000   3
constraint     5 his     hb2         7 tyr     he1       3.802  0.000   2
constraint     5 his     hb2         7 tyr     he2       3.802  0.000   1
constraint     5 his     hb1        34 val      ha       6.000  0.000   6
constraint     5 his     hb1        36 ile      ha       6.000  0.000   5
constraint     5 his     hb2        34 val      ha       6.000  0.000   4
constraint     5 his     hb2        36 ile      ha       6.000  0.000   3
constraint    34 val      ha        52 asp     hb1       6.000  0.000   2
constraint    34 val      ha        52 asp     hb2       6.000  0.000   1
constraint     5 his     hb1        51 ala       h       6.000  0.000   2
constraint     5 his     hb2        51 ala       h       6.000  0.000   1
constraint     5 his     hb1        51 ala      ha       3.001  0.000   2
constraint     5 his     hb2        51 ala      ha       3.001  0.000   1
constraint     5 his     hb1        51 ala      ha       3.384  0.000   1
constraint     5 his     hb1        51 ala     hb3       3.385  0.000  12
constraint     5 his     hb1        51 ala     hb2       3.385  0.000  11
constraint     5 his     hb1        51 ala     hb1       3.385  0.000  10
constraint     5 his     hb2        51 ala     hb3       3.385  0.000   9
constraint     5 his     hb2        51 ala     hb2       3.385  0.000   8
constraint     5 his     hb2        51 ala     hb1       3.385  0.000   7
constraint     7 tyr     hb1        51 ala     hb3       3.385  0.000   6
constraint     7 tyr     hb1        51 ala     hb2       3.385  0.000   5
constraint     7 tyr     hb1        51 ala     hb1       3.385  0.000   4
constraint     7 tyr     hb2        51 ala     hb3       3.385  0.000   3
constraint     7 tyr     hb2        51 ala     hb2       3.385  0.000   2
constraint     7 tyr     hb2        51 ala     hb1       3.385  0.000   1
constraint     5 his     hb1        51 ala     hb3       4.104  0.000   6
constraint     5 his     hb1        51 ala     hb2       4.104  0.000   5
constraint     5 his     hb1        51 ala     hb1       4.104  0.000   4
constraint     5 his     hb2        51 ala     hb3       4.104  0.000   3
constraint     5 his     hb2        51 ala     hb2       4.104  0.000   2
constraint     5 his     hb2        51 ala     hb1       4.104  0.000   1
constraint     5 his     hb1        52 asp       h       3.813  0.000   2
constraint     5 his     hb2        52 asp       h       3.813  0.000   1
constraint     5 his     hb2         6 ile       h       4.874  0.000   1
constraint     5 his     hb2        51 ala      ha       3.384  0.000   1
constraint     5 his     hd2         6 ile       h       5.000  0.000   1
constraint     5 his     hd2         7 tyr     he1       5.000  0.000   2
constraint     5 his     hd2         7 tyr     he2       5.000  0.000   1
constraint     5 his     hd2        34 val      ha       7.000  0.000   2
constraint     5 his     hd2        36 ile      ha       7.000  0.000   1
constraint     5 his     hd2        34 val      hb       6.000  0.000   3
constraint    68 gln    he21        76 val      hb       6.000  0.000   2
constraint    68 gln    he22        76 val      hb       6.000  0.000   1
constraint     5 his     hd2        34 val    hg13       4.070  0.000   9
constraint     5 his     hd2        34 val    hg12       4.070  0.000   8
constraint     5 his     hd2        34 val    hg11       4.070  0.000   7
constraint     5 his     hd2        34 val    hg23       4.070  0.000   6
constraint     5 his     hd2        34 val    hg22       4.070  0.000   5
constraint     5 his     hd2        34 val    hg21       4.070  0.000   4
constraint     5 his     hd2        35 ile     hd3       4.070  0.000   3
constraint     5 his     hd2        35 ile     hd2       4.070  0.000   2
constraint     5 his     hd2        35 ile     hd1       4.070  0.000   1
constraint     5 his     hd2        34 val    hg13       5.000  0.000   6
constraint     5 his     hd2        34 val    hg12       5.000  0.000   5
constraint     5 his     hd2        34 val    hg11       5.000  0.000   4
constraint     5 his     hd2        34 val    hg23       5.000  0.000   3
constraint     5 his     hd2        34 val    hg22       5.000  0.000   2
constraint     5 his     hd2        34 val    hg21       5.000  0.000   1
constraint     5 his     hd2        35 ile       h       5.000  0.000   1
constraint     5 his     hd2        35 ile      hb       3.814  0.000   3
constraint     5 his     hd2        35 ile    hg11       3.814  0.000   2
constraint     5 his     hd2        35 ile    hg12       3.814  0.000   1
constraint     5 his     hd2        35 ile    hg11       4.874  0.000   6
constraint     5 his     hd2        35 ile    hg12       4.874  0.000   5
constraint    68 gln    he21        71 leu     hb1       4.874  0.000   4
constraint    68 gln    he21        71 leu     hb2       4.874  0.000   3
constraint    68 gln    he22        71 leu     hb1       4.874  0.000   2
constraint    68 gln    he22        71 leu     hb2       4.874  0.000   1
constraint     5 his     hd2        35 ile    hg23       3.525  0.000  15
constraint     5 his     hd2        35 ile    hg22       3.525  0.000  14
constraint     5 his     hd2        35 ile    hg21       3.525  0.000  13
constraint    64 leu    hd13        68 gln    he21       3.525  0.000  12
constraint    64 leu    hd12        68 gln    he21       3.525  0.000  11
constraint    64 leu    hd11        68 gln    he21       3.525  0.000  10
constraint    64 leu    hd13        68 gln    he22       3.525  0.000   9
constraint    64 leu    hd12        68 gln    he22       3.525  0.000   8
constraint    64 leu    hd11        68 gln    he22       3.525  0.000   7
constraint    64 leu    hd23        68 gln    he21       3.525  0.000   6
constraint    64 leu    hd22        68 gln    he21       3.525  0.000   5
constraint    64 leu    hd21        68 gln    he21       3.525  0.000   4
constraint    64 leu    hd23        68 gln    he22       3.525  0.000   3
constraint    64 leu    hd22        68 gln    he22       3.525  0.000   2
constraint    64 leu    hd21        68 gln    he22       3.525  0.000   1
constraint     5 his     hd2        36 ile       h       7.000  3.500   1
constraint     5 his     hd2        51 ala      ha       6.000  0.000   1
constraint     5 his     hd2        52 asp       h       7.000  0.000   1
constraint     5 his     he1         7 tyr     he1       4.553  0.000   4
constraint     5 his     he1         7 tyr     he2       4.553  0.000   3
constraint     7 tyr     he1        37 glu       h       4.553  0.000   2
constraint     7 tyr     he2        37 glu       h       4.553  0.000   1
constraint     5 his     he1        34 val    hg13       4.496  0.000  18
constraint     5 his     he1        34 val    hg12       4.496  0.000  17
constraint     5 his     he1        34 val    hg11       4.496  0.000  16
constraint     5 his     he1        34 val    hg23       4.496  0.000  15
constraint     5 his     he1        34 val    hg22       4.496  0.000  14
constraint     5 his     he1        34 val    hg21       4.496  0.000  13
constraint     6 ile    hg23        37 glu       h       4.496  0.000  12
constraint     6 ile    hg22        37 glu       h       4.496  0.000  11
constraint     6 ile    hg21        37 glu       h       4.496  0.000  10
constraint     6 ile    hg23        54 val       h       4.496  0.000   9
constraint     6 ile    hg22        54 val       h       4.496  0.000   8
constraint     6 ile    hg21        54 val       h       4.496  0.000   7
constraint    54 val       h        55 leu    hd13       4.496  0.000   6
constraint    54 val       h        55 leu    hd12       4.496  0.000   5
constraint    54 val       h        55 leu    hd11       4.496  0.000   4
constraint    54 val       h        55 leu    hd23       4.496  0.000   3
constraint    54 val       h        55 leu    hd22       4.496  0.000   2
constraint    54 val       h        55 leu    hd21       4.496  0.000   1
constraint     5 his     he1        34 val    hg13       4.447  0.000  21
constraint     5 his     he1        34 val    hg12       4.447  0.000  20
constraint     5 his     he1        34 val    hg11       4.447  0.000  19
constraint     5 his     he1        34 val    hg23       4.447  0.000  18
constraint     5 his     he1        34 val    hg22       4.447  0.000  17
constraint     5 his     he1        34 val    hg21       4.447  0.000  16
constraint    54 val       h        55 leu    hd13       4.447  0.000  15
constraint    54 val       h        55 leu    hd12       4.447  0.000  14
constraint    54 val       h        55 leu    hd11       4.447  0.000  13
constraint    54 val       h        55 leu    hd23       4.447  0.000  12
constraint    54 val       h        55 leu    hd22       4.447  0.000  11
constraint    54 val       h        55 leu    hd21       4.447  0.000  10
constraint    54 val       h        76 val    hg13       4.447  0.000   9
constraint    54 val       h        76 val    hg12       4.447  0.000   8
constraint    54 val       h        76 val    hg11       4.447  0.000   7
constraint    54 val       h        76 val    hg23       4.447  0.000   6
constraint    54 val       h        76 val    hg22       4.447  0.000   5
constraint    54 val       h        76 val    hg21       4.447  0.000   4
constraint    54 val       h       100 ile     hd3       4.447  0.000   3
constraint    54 val       h       100 ile     hd2       4.447  0.000   2
constraint    54 val       h       100 ile     hd1       4.447  0.000   1
constraint     5 his     he1        37 glu     hg1       4.264  0.000  10
constraint     5 his     he1        37 glu     hg2       4.264  0.000   9
constraint    37 glu       h        37 glu     hg1       4.264  0.000   8
constraint    37 glu       h        37 glu     hg2       4.264  0.000   7
constraint    82 leu     hb1        85 gly       h       4.264  0.000   6
constraint    82 leu     hb2        85 gly       h       4.264  0.000   5
constraint    83 leu     hb1        85 gly       h       4.264  0.000   4
constraint    83 leu     hb2        85 gly       h       4.264  0.000   3
constraint    85 gly       h        86 lys     hb1       4.264  0.000   2
constraint    85 gly       h        86 lys     hb2       4.264  0.000   1
constraint     5 his     he1        50 asn     hb1       5.000  0.000   5
constraint     5 his     he1        50 asn     hb2       5.000  0.000   4
constraint    85 gly       h        87 val      ha       5.000  0.000   3
constraint    85 gly       h        88 asp     hb1       5.000  0.000   2
constraint    85 gly       h        88 asp     hb2       5.000  0.000   1
constraint     6 ile       h         6 ile      ha       4.029  0.000   1
constraint     6 ile       h         6 ile      hb       3.497  0.000   1
constraint     6 ile       h         6 ile    hg11       4.006  0.000   4
constraint     6 ile       h         6 ile    hg12       4.006  0.000   3
constraint     6 ile       h        36 ile    hg11       4.006  0.000   2
constraint     6 ile       h        36 ile    hg12       4.006  0.000   1
constraint     6 ile       h         6 ile    hg23       4.013  0.000   3
constraint     6 ile       h         6 ile    hg22       4.013  0.000   2
constraint     6 ile       h         6 ile    hg21       4.013  0.000   1
constraint     6 ile       h         6 ile     hd3       4.207  0.000   3
constraint     6 ile       h         6 ile     hd2       4.207  0.000   2
constraint     6 ile       h         6 ile     hd1       4.207  0.000   1
constraint     6 ile       h         7 tyr       h       5.000  0.000   1
constraint     6 ile       h         7 tyr      ha       6.000  0.000   1
constraint     6 ile       h         7 tyr     hd1       4.662  0.000   2
constraint     6 ile       h         7 tyr     hd2       4.662  0.000   1
constraint     6 ile       h         7 tyr     he1       5.000  0.000   2
constraint     6 ile       h         7 tyr     he2       5.000  0.000   1
constraint     6 ile       h         7 tyr     he1       8.000  0.000   2
constraint     6 ile       h         7 tyr     he2       8.000  0.000   1
constraint     6 ile       h         8 leu    hd13       7.000  0.000   9
constraint     6 ile       h         8 leu    hd12       7.000  0.000   8
constraint     6 ile       h         8 leu    hd11       7.000  0.000   7
constraint     6 ile       h         8 leu    hd23       7.000  0.000   6
constraint     6 ile       h         8 leu    hd22       7.000  0.000   5
constraint     6 ile       h         8 leu    hd21       7.000  0.000   4
constraint     6 ile       h        36 ile     hd3       7.000  0.000   3
constraint     6 ile       h        36 ile     hd2       7.000  0.000   2
constraint     6 ile       h        36 ile     hd1       7.000  0.000   1
constraint     6 ile       h        23 met     he3       6.500  0.000   4
constraint     6 ile       h        23 met     he2       6.500  0.000   3
constraint     6 ile       h        23 met     he1       6.500  0.000   2
constraint     6 ile       h        24 arg     hg2       6.500  0.000   1
constraint     6 ile       h        24 arg     hg2       4.824  0.000   2
constraint     6 ile       h        34 val      hb       4.824  0.000   1
constraint     6 ile       h        32 val    hg13       7.000  0.000  12
constraint     6 ile       h        32 val    hg12       7.000  0.000  11
constraint     6 ile       h        32 val    hg11       7.000  0.000  10
constraint     6 ile       h        32 val    hg23       7.000  0.000   9
constraint     6 ile       h        32 val    hg22       7.000  0.000   8
constraint     6 ile       h        32 val    hg21       7.000  0.000   7
constraint     6 ile       h        35 ile    hg23       7.000  0.000   6
constraint     6 ile       h        35 ile    hg22       7.000  0.000   5
constraint     6 ile       h        35 ile    hg21       7.000  0.000   4
constraint     6 ile       h        53 val    hg23       7.000  0.000   3
constraint     6 ile       h        53 val    hg22       7.000  0.000   2
constraint     6 ile       h        53 val    hg21       7.000  0.000   1
constraint     6 ile       h        35 ile       h       4.484  0.000   1
constraint     6 ile       h        35 ile      ha       5.000  0.000   1
constraint     6 ile       h        35 ile      hb       4.443  0.000   3
constraint     6 ile       h        35 ile    hg11       4.443  0.000   2
constraint     6 ile       h        35 ile    hg12       4.443  0.000   1
constraint     6 ile       h        36 ile      ha       3.855  0.000   1
constraint     6 ile       h        36 ile    hg23       4.741  0.000   3
constraint     6 ile       h        36 ile    hg22       4.741  0.000   2
constraint     6 ile       h        36 ile    hg21       4.741  0.000   1
constraint     6 ile       h        37 glu       h       5.000  0.000   1
constraint     6 ile       h        52 asp       h       5.000  0.000   1
constraint     6 ile       h        53 val       h       6.000  3.500   1
constraint     6 ile      ha         6 ile    hg23       3.087  0.000   3
constraint     6 ile      ha         6 ile    hg22       3.087  0.000   2
constraint     6 ile      ha         6 ile    hg21       3.087  0.000   1
constraint     6 ile      ha         6 ile     hd3       3.852  0.000   3
constraint     6 ile      ha         6 ile     hd2       3.852  0.000   2
constraint     6 ile      ha         6 ile     hd1       3.852  0.000   1
constraint     6 ile      ha         7 tyr       h       3.009  0.000   1
constraint     6 ile      ha         7 tyr      ha       4.650  0.000   2
constraint     7 tyr      ha        37 glu      ha       4.650  0.000   1
constraint     6 ile      ha         7 tyr     hd1       4.308  0.000   4
constraint     6 ile      ha         7 tyr     hd2       4.308  0.000   3
constraint     7 tyr     hd1        37 glu      ha       4.308  0.000   2
constraint     7 tyr     hd2        37 glu      ha       4.308  0.000   1
constraint     6 ile      ha         7 tyr     he1       4.768  0.000   4
constraint     6 ile      ha         7 tyr     he2       4.768  0.000   3
constraint     7 tyr     he1        37 glu      ha       4.768  0.000   2
constraint     7 tyr     he2        37 glu      ha       4.768  0.000   1
constraint     6 ile      ha        36 ile      ha       4.319  0.000   1
constraint     6 ile      ha        36 ile    hg11       4.575  0.000   9
constraint     6 ile      ha        36 ile    hg12       4.575  0.000   8
constraint    36 ile    hg11        37 glu      ha       4.575  0.000   7
constraint    36 ile    hg12        37 glu      ha       4.575  0.000   6
constraint    53 val      ha        74 lys     hd1       4.575  0.000   5
constraint    53 val      ha        74 lys     hd2       4.575  0.000   4
constraint    53 val      ha        99 ala     hb3       4.575  0.000   3
constraint    53 val      ha        99 ala     hb2       4.575  0.000   2
constraint    53 val      ha        99 ala     hb1       4.575  0.000   1
constraint     6 ile      ha        51 ala     hb3       3.963  0.000   6
constraint     6 ile      ha        51 ala     hb2       3.963  0.000   5
constraint     6 ile      ha        51 ala     hb1       3.963  0.000   4
constraint    51 ala     hb3        53 val      ha       3.963  0.000   3
constraint    51 ala     hb2        53 val      ha       3.963  0.000   2
constraint    51 ala     hb1        53 val      ha       3.963  0.000   1
constraint     6 ile      ha        52 asp       h       4.567  0.000   1
constraint     6 ile      ha        55 leu      hg       4.326  0.000   6
constraint     6 ile      ha        96 ala     hb3       4.326  0.000   5
constraint     6 ile      ha        96 ala     hb2       4.326  0.000   4
constraint     6 ile      ha        96 ala     hb1       4.326  0.000   3
constraint    65 pro      ha        69 arg     hg1       4.326  0.000   2
constraint    65 pro      ha        69 arg     hg2       4.326  0.000   1
constraint     6 ile      hb         7 tyr      ha       5.000  0.000   3
constraint     7 tyr      ha        37 glu     hg1       5.000  0.000   2
constraint     7 tyr      ha        37 glu     hg2       5.000  0.000   1
constraint     6 ile      hb        36 ile       h       4.595  0.000   3
constraint    36 ile       h        37 glu     hg1       4.595  0.000   2
constraint    36 ile       h        37 glu     hg2       4.595  0.000   1
constraint     6 ile      hb        36 ile      ha       3.407  0.000   1
constraint     6 ile    hg23         7 tyr       h       3.546  0.000   3
constraint     6 ile    hg22         7 tyr       h       3.546  0.000   2
constraint     6 ile    hg21         7 tyr       h       3.546  0.000   1
constraint     6 ile    hg23         7 tyr      ha       4.741  0.000   3
constraint     6 ile    hg22         7 tyr      ha       4.741  0.000   2
constraint     6 ile    hg21         7 tyr      ha       4.741  0.000   1
constraint     6 ile    hg23        36 ile      ha       5.000  0.000   3
constraint     6 ile    hg22        36 ile      ha       5.000  0.000   2
constraint     6 ile    hg21        36 ile      ha       5.000  0.000   1
constraint     6 ile    hg23        55 leu       h       3.993  0.000   9
constraint     6 ile    hg22        55 leu       h       3.993  0.000   8
constraint     6 ile    hg21        55 leu       h       3.993  0.000   7
constraint    55 leu       h        55 leu    hd13       3.993  0.000   6
constraint    55 leu       h        55 leu    hd12       3.993  0.000   5
constraint    55 leu       h        55 leu    hd11       3.993  0.000   4
constraint    55 leu       h        55 leu    hd23       3.993  0.000   3
constraint    55 leu       h        55 leu    hd22       3.993  0.000   2
constraint    55 leu       h        55 leu    hd21       3.993  0.000   1
constraint     6 ile     hd3        36 ile      ha       5.000  0.000   3
constraint     6 ile     hd2        36 ile      ha       5.000  0.000   2
constraint     6 ile     hd1        36 ile      ha       5.000  0.000   1
constraint     6 ile     hd3        93 leu      ha       3.852  0.000   3
constraint     6 ile     hd2        93 leu      ha       3.852  0.000   2
constraint     6 ile     hd1        93 leu      ha       3.852  0.000   1
constraint     7 tyr       h         7 tyr      ha       4.029  0.000   1
constraint     7 tyr       h         7 tyr     hb1       3.507  0.000   2
constraint     7 tyr       h         7 tyr     hb2       3.507  0.000   1
constraint     7 tyr       h         7 tyr     hb1       4.118  0.000   1
constraint     7 tyr       h         7 tyr     hb2       4.118  0.000   1
constraint     7 tyr       h         7 tyr     hd1       3.948  0.000   2
constraint     7 tyr       h         7 tyr     hd2       3.948  0.000   1
constraint     7 tyr       h         8 leu       h       4.967  0.000   1
constraint     7 tyr       h         9 phe     he1       4.164  0.000   4
constraint     7 tyr       h         9 phe     he2       4.164  0.000   3
constraint     9 phe     he1        48 gly       h       4.164  0.000   2
constraint     9 phe     he2        48 gly       h       4.164  0.000   1
constraint     7 tyr       h        36 ile      ha       6.000  0.000   1
constraint     7 tyr       h        39 phe     hd1       6.000  0.000   4
constraint     7 tyr       h        39 phe     hd2       6.000  0.000   3
constraint    39 phe     hd1        48 gly       h       6.000  0.000   2
constraint    39 phe     hd2        48 gly       h       6.000  0.000   1
constraint     7 tyr       h        39 phe     he1       6.000  0.000   4
constraint     7 tyr       h        39 phe     he2       6.000  0.000   3
constraint    39 phe     he1        48 gly       h       6.000  0.000   2
constraint    39 phe     he2        48 gly       h       6.000  0.000   1
constraint     7 tyr       h        51 ala     hb3       3.537  0.000   5
constraint     7 tyr       h        51 ala     hb2       3.537  0.000   4
constraint     7 tyr       h        51 ala     hb1       3.537  0.000   3
constraint    47 lys     hb1        48 gly       h       3.537  0.000   2
constraint    47 lys     hb2        48 gly       h       3.537  0.000   1
constraint     7 tyr       h        53 val       h       4.117  0.000   3
constraint    46 glu       h        48 gly       h       4.117  0.000   2
constraint    48 gly       h        50 asn       h       4.117  0.000   1
constraint     7 tyr       h        54 val      ha       5.000  0.000   1
constraint     7 tyr       h        55 leu       h       4.981  0.000   1
constraint     7 tyr       h        55 leu       h       6.000  0.000   1
constraint     7 tyr      ha         7 tyr     hd1       2.878  0.000   2
constraint     7 tyr      ha         7 tyr     hd2       2.878  0.000   1
constraint     7 tyr      ha         7 tyr     he1       5.021  0.000   2
constraint     7 tyr      ha         7 tyr     he2       5.021  0.000   1
constraint     7 tyr      ha         8 leu       h       3.045  0.000   1
constraint     7 tyr      ha         8 leu     hb1       6.000  0.000   5
constraint     7 tyr      ha         8 leu     hb2       6.000  0.000   4
constraint     7 tyr      ha        51 ala     hb3       6.000  0.000   3
constraint     7 tyr      ha        51 ala     hb2       6.000  0.000   2
constraint     7 tyr      ha        51 ala     hb1       6.000  0.000   1
constraint     7 tyr      ha         8 leu     hb1       4.950  0.000   2
constraint     7 tyr      ha         8 leu     hb2       4.950  0.000   1
constraint     7 tyr      ha         8 leu      hg       6.500  0.000   1
constraint     7 tyr      ha         8 leu    hd13       3.948  0.000   6
constraint     7 tyr      ha         8 leu    hd12       3.948  0.000   5
constraint     7 tyr      ha         8 leu    hd11       3.948  0.000   4
constraint     7 tyr      ha         8 leu    hd23       3.948  0.000   3
constraint     7 tyr      ha         8 leu    hd22       3.948  0.000   2
constraint     7 tyr      ha         8 leu    hd21       3.948  0.000   1
constraint     7 tyr      ha         9 phe     hd1       7.000  0.000   2
constraint     7 tyr      ha         9 phe     hd2       7.000  0.000   1
constraint     7 tyr      ha         9 phe     he1       4.942  0.000   2
constraint     7 tyr      ha         9 phe     he2       4.942  0.000   1
constraint     7 tyr      ha         9 phe      hz       4.976  0.000   1
constraint     7 tyr      ha        20 val    hg13       6.000  0.000  12
constraint     7 tyr      ha        20 val    hg12       6.000  0.000  11
constraint     7 tyr      ha        20 val    hg11       6.000  0.000  10
constraint     7 tyr      ha        20 val    hg23       6.000  0.000   9
constraint     7 tyr      ha        20 val    hg22       6.000  0.000   8
constraint     7 tyr      ha        20 val    hg21       6.000  0.000   7
constraint     7 tyr      ha        54 val    hg13       6.000  0.000   6
constraint     7 tyr      ha        54 val    hg12       6.000  0.000   5
constraint     7 tyr      ha        54 val    hg11       6.000  0.000   4
constraint     7 tyr      ha        54 val    hg23       6.000  0.000   3
constraint     7 tyr      ha        54 val    hg22       6.000  0.000   2
constraint     7 tyr      ha        54 val    hg21       6.000  0.000   1
constraint     7 tyr      ha        36 ile      ha       4.319  0.000   1
constraint     7 tyr      ha        36 ile    hg23       4.715  0.000   9
constraint     7 tyr      ha        36 ile    hg22       4.715  0.000   8
constraint     7 tyr      ha        36 ile    hg21       4.715  0.000   7
constraint     7 tyr      ha        54 val    hg13       4.715  0.000   6
constraint     7 tyr      ha        54 val    hg12       4.715  0.000   5
constraint     7 tyr      ha        54 val    hg11       4.715  0.000   4
constraint     7 tyr      ha        54 val    hg23       4.715  0.000   3
constraint     7 tyr      ha        54 val    hg22       4.715  0.000   2
constraint     7 tyr      ha        54 val    hg21       4.715  0.000   1
constraint     7 tyr      ha        37 glu       h       3.750  0.000   1
constraint     7 tyr      ha        37 glu     hb1       5.000  0.000   2
constraint     7 tyr      ha        37 glu     hb2       5.000  0.000   1
constraint     7 tyr      ha        38 ala       h       5.000  0.000   1
constraint     7 tyr      ha        38 ala      ha       4.323  0.000   1
constraint     7 tyr      ha        38 ala     hb3       7.000  0.000   3
constraint     7 tyr      ha        38 ala     hb2       7.000  0.000   2
constraint     7 tyr      ha        38 ala     hb1       7.000  0.000   1
constraint     7 tyr      ha        39 phe       h       7.000  0.000   1
constraint     7 tyr      ha        39 phe     hd1       4.513  0.000   3
constraint     7 tyr      ha        39 phe     hd2       4.513  0.000   2
constraint     7 tyr      ha        39 phe      hz       4.513  0.000   1
constraint     7 tyr      ha        39 phe     he1       4.372  0.000   2
constraint     7 tyr      ha        39 phe     he2       4.372  0.000   1
constraint     7 tyr     hb1         7 tyr     hb2       3.048  0.000   1
constraint     7 tyr     hb1         7 tyr     hd1       3.487  0.000   4
constraint     7 tyr     hb1         7 tyr     hd2       3.487  0.000   3
constraint     7 tyr     hb2         7 tyr     hd1       3.487  0.000   2
constraint     7 tyr     hb2         7 tyr     hd2       3.487  0.000   1
constraint     7 tyr     hb1         8 leu       h       3.570  0.000   4
constraint     7 tyr     hb2         8 leu       h       3.570  0.000   3
constraint     9 phe       h         9 phe     hb1       3.570  0.000   2
constraint     9 phe       h         9 phe     hb2       3.570  0.000   1
constraint     7 tyr     hb1         8 leu       h       4.606  0.000   2
constraint     7 tyr     hb2         8 leu       h       4.606  0.000   1
constraint     7 tyr     hb1         8 leu      ha       4.623  0.000   4
constraint     7 tyr     hb2         8 leu      ha       4.623  0.000   3
constraint     8 leu      ha         9 phe     hb1       4.623  0.000   2
constraint     8 leu      ha         9 phe     hb2       4.623  0.000   1
constraint     7 tyr     hb1         9 phe     hd1       8.000  0.000   4
constraint     7 tyr     hb1         9 phe     hd2       8.000  0.000   3
constraint     7 tyr     hb2         9 phe     hd1       8.000  0.000   2
constraint     7 tyr     hb2         9 phe     hd2       8.000  0.000   1
constraint     7 tyr     hb1         9 phe     he1       3.253  0.000   4
constraint     7 tyr     hb1         9 phe     he2       3.253  0.000   3
constraint     7 tyr     hb2         9 phe     he1       3.253  0.000   2
constraint     7 tyr     hb2         9 phe     he2       3.253  0.000   1
constraint     7 tyr     hb1         9 phe     he1       3.713  0.000   2
constraint     7 tyr     hb1         9 phe     he2       3.713  0.000   1
constraint     7 tyr     hb1         9 phe      hz       3.715  0.000   2
constraint     7 tyr     hb2         9 phe      hz       3.715  0.000   1
constraint     7 tyr     hb1         9 phe      hz       4.273  0.000   1
constraint     7 tyr     hb1        37 glu       h       5.000  0.000   2
constraint     7 tyr     hb2        37 glu       h       5.000  0.000   1
constraint     7 tyr     hb1        38 ala      ha       5.000  0.000   2
constraint     7 tyr     hb2        38 ala      ha       5.000  0.000   1
constraint     7 tyr     hb1        39 phe       h       6.000  0.000   4
constraint     7 tyr     hb2        39 phe       h       6.000  0.000   3
constraint     9 phe     hb1        39 phe       h       6.000  0.000   2
constraint     9 phe     hb2        39 phe       h       6.000  0.000   1
constraint     7 tyr     hb1        39 phe     hd1       3.824  0.000   4
constraint     7 tyr     hb1        39 phe     hd2       3.824  0.000   3
constraint     7 tyr     hb2        39 phe     hd1       3.824  0.000   2
constraint     7 tyr     hb2        39 phe     hd2       3.824  0.000   1
constraint     7 tyr     hb1        39 phe     hd1       4.270  0.000   4
constraint     7 tyr     hb1        39 phe     hd2       4.270  0.000   3
constraint     7 tyr     hb2        39 phe     hd1       4.270  0.000   2
constraint     7 tyr     hb2        39 phe     hd2       4.270  0.000   1
constraint     7 tyr     hb1        39 phe     he1       3.808  0.000   4
constraint     7 tyr     hb1        39 phe     he2       3.808  0.000   3
constraint     7 tyr     hb2        39 phe     he1       3.808  0.000   2
constraint     7 tyr     hb2        39 phe     he2       3.808  0.000   1
constraint     7 tyr     hb1        39 phe     he1       4.561  0.000   2
constraint     7 tyr     hb1        39 phe     he2       4.561  0.000   1
constraint     7 tyr     hb1        47 lys     hb1       3.751  0.000  10
constraint     7 tyr     hb1        47 lys     hb2       3.751  0.000   9
constraint     7 tyr     hb1        51 ala     hb3       3.751  0.000   8
constraint     7 tyr     hb1        51 ala     hb2       3.751  0.000   7
constraint     7 tyr     hb1        51 ala     hb1       3.751  0.000   6
constraint     7 tyr     hb2        47 lys     hb1       3.751  0.000   5
constraint     7 tyr     hb2        47 lys     hb2       3.751  0.000   4
constraint     7 tyr     hb2        51 ala     hb3       3.751  0.000   3
constraint     7 tyr     hb2        51 ala     hb2       3.751  0.000   2
constraint     7 tyr     hb2        51 ala     hb1       3.751  0.000   1
constraint     7 tyr     hb1        48 gly     ha1       5.000  0.000   6
constraint     7 tyr     hb1        48 gly     ha2       5.000  0.000   5
constraint     7 tyr     hb2        48 gly     ha1       5.000  0.000   4
constraint     7 tyr     hb2        48 gly     ha2       5.000  0.000   3
constraint    90 leu      ha        94 lys     he1       5.000  0.000   2
constraint    90 leu      ha        94 lys     he2       5.000  0.000   1
constraint     7 tyr     hb1        48 gly     ha1       8.000  0.000   4
constraint     7 tyr     hb1        48 gly     ha2       8.000  0.000   3
constraint     7 tyr     hb2        48 gly     ha1       8.000  0.000   2
constraint     7 tyr     hb2        48 gly     ha2       8.000  0.000   1
constraint     7 tyr     hb1        55 leu       h       5.000  0.000   4
constraint     7 tyr     hb2        55 leu       h       5.000  0.000   3
constraint     9 phe     hb1        55 leu       h       5.000  0.000   2
constraint     9 phe     hb2        55 leu       h       5.000  0.000   1
constraint     7 tyr     hb1        55 leu       h       8.000  0.000   4
constraint     7 tyr     hb2        55 leu       h       8.000  0.000   3
constraint     9 phe     hb1        55 leu       h       8.000  0.000   2
constraint     9 phe     hb2        55 leu       h       8.000  0.000   1
constraint     7 tyr     hb2         9 phe     he1       3.713  0.000   2
constraint     7 tyr     hb2         9 phe     he2       3.713  0.000   1
constraint     7 tyr     hb2         9 phe      hz       4.273  0.000   1
constraint     7 tyr     hb2        39 phe     he1       4.561  0.000   2
constraint     7 tyr     hb2        39 phe     he2       4.561  0.000   1
constraint     7 tyr     hd1         8 leu       h       3.723  0.000   2
constraint     7 tyr     hd2         8 leu       h       3.723  0.000   1
constraint     7 tyr     hd1         9 phe      hz       3.407  0.000   2
constraint     7 tyr     hd2         9 phe      hz       3.407  0.000   1
constraint     7 tyr     hd1        35 ile      ha       4.478  0.000   6
constraint     7 tyr     hd1        47 lys      ha       4.478  0.000   5
constraint     7 tyr     hd2        35 ile      ha       4.478  0.000   4
constraint     7 tyr     hd2        47 lys      ha       4.478  0.000   3
constraint    47 lys      ha        50 asn    hd21       4.478  0.000   2
constraint    47 lys      ha        50 asn    hd22       4.478  0.000   1
constraint     7 tyr     hd1        35 ile      ha       4.677  0.000   4
constraint     7 tyr     hd1        47 lys      ha       4.677  0.000   3
constraint     7 tyr     hd2        35 ile      ha       4.677  0.000   2
constraint     7 tyr     hd2        47 lys      ha       4.677  0.000   1
constraint     7 tyr     hd1        36 ile       h       6.000  0.000   2
constraint     7 tyr     hd2        36 ile       h       6.000  0.000   1
constraint     7 tyr     hd1        36 ile      ha       4.150  0.000   2
constraint     7 tyr     hd2        36 ile      ha       4.150  0.000   1
constraint     7 tyr     hd1        37 glu       h       3.511  0.000   2
constraint     7 tyr     hd2        37 glu       h       3.511  0.000   1
constraint     7 tyr     hd1        37 glu     hb1       3.559  0.000   2
constraint     7 tyr     hd2        37 glu     hb1       3.559  0.000   1
constraint     7 tyr     hd1        37 glu     hg1       4.039  0.000   4
constraint     7 tyr     hd1        37 glu     hg2       4.039  0.000   3
constraint     7 tyr     hd2        37 glu     hg1       4.039  0.000   2
constraint     7 tyr     hd2        37 glu     hg2       4.039  0.000   1
constraint     7 tyr     hd1        37 glu     hg1       4.802  0.000   2
constraint     7 tyr     hd2        37 glu     hg1       4.802  0.000   1
constraint     7 tyr     hd1        37 glu     hg2       4.802  0.000   2
constraint     7 tyr     hd2        37 glu     hg2       4.802  0.000   1
constraint     7 tyr     hd1        38 ala       h       7.000  0.000   2
constraint     7 tyr     hd2        38 ala       h       7.000  0.000   1
constraint     7 tyr     hd1        38 ala      ha       5.000  0.000   2
constraint     7 tyr     hd2        38 ala      ha       5.000  0.000   1
constraint     7 tyr     hd1        39 phe     hd1       4.015  0.000   6
constraint     7 tyr     hd1        39 phe     hd2       4.015  0.000   5
constraint     7 tyr     hd1        39 phe      hz       4.015  0.000   4
constraint     7 tyr     hd2        39 phe     hd1       4.015  0.000   3
constraint     7 tyr     hd2        39 phe     hd2       4.015  0.000   2
constraint     7 tyr     hd2        39 phe      hz       4.015  0.000   1
constraint     7 tyr     hd1        39 phe     he1       3.703  0.000   4
constraint     7 tyr     hd1        39 phe     he2       3.703  0.000   3
constraint     7 tyr     hd2        39 phe     he1       3.703  0.000   2
constraint     7 tyr     hd2        39 phe     he2       3.703  0.000   1
constraint     7 tyr     hd1        44 ala      ha       6.000  0.000   2
constraint     7 tyr     hd2        44 ala      ha       6.000  0.000   1
constraint     7 tyr     hd1        47 lys     hb1       3.078  0.000  10
constraint     7 tyr     hd1        47 lys     hb2       3.078  0.000   9
constraint     7 tyr     hd1        51 ala     hb3       3.078  0.000   8
constraint     7 tyr     hd1        51 ala     hb2       3.078  0.000   7
constraint     7 tyr     hd1        51 ala     hb1       3.078  0.000   6
constraint     7 tyr     hd2        47 lys     hb1       3.078  0.000   5
constraint     7 tyr     hd2        47 lys     hb2       3.078  0.000   4
constraint     7 tyr     hd2        51 ala     hb3       3.078  0.000   3
constraint     7 tyr     hd2        51 ala     hb2       3.078  0.000   2
constraint     7 tyr     hd2        51 ala     hb1       3.078  0.000   1
constraint     7 tyr     hd1        47 lys     hb1       4.504  0.000   4
constraint     7 tyr     hd1        47 lys     hb2       4.504  0.000   3
constraint     7 tyr     hd2        47 lys     hb1       4.504  0.000   2
constraint     7 tyr     hd2        47 lys     hb2       4.504  0.000   1
constraint     7 tyr     hd1        47 lys     hg1       4.243  0.000   4
constraint     7 tyr     hd1        47 lys     hg2       4.243  0.000   3
constraint     7 tyr     hd2        47 lys     hg1       4.243  0.000   2
constraint     7 tyr     hd2        47 lys     hg2       4.243  0.000   1
constraint     7 tyr     hd1        47 lys     hg1       5.000  0.000   2
constraint     7 tyr     hd2        47 lys     hg1       5.000  0.000   1
constraint     7 tyr     hd1        47 lys     hg2       5.000  0.000   2
constraint     7 tyr     hd2        47 lys     hg2       5.000  0.000   1
constraint     7 tyr     hd1        48 gly     ha1       3.737  0.000   4
constraint     7 tyr     hd1        48 gly     ha2       3.737  0.000   3
constraint     7 tyr     hd2        48 gly     ha1       3.737  0.000   2
constraint     7 tyr     hd2        48 gly     ha2       3.737  0.000   1
constraint     7 tyr     hd1        48 gly     ha1       4.455  0.000   2
constraint     7 tyr     hd2        48 gly     ha1       4.455  0.000   1
constraint     7 tyr     hd1        48 gly     ha2       4.455  0.000   2
constraint     7 tyr     hd2        48 gly     ha2       4.455  0.000   1
constraint     7 tyr     hd1        51 ala      ha       4.288  0.000   2
constraint     7 tyr     hd2        51 ala      ha       4.288  0.000   1
constraint     7 tyr     hd1        52 asp       h       8.000  0.000   2
constraint     7 tyr     hd2        52 asp       h       8.000  0.000   1
constraint     7 tyr     he1         8 leu       h       6.000  0.000   2
constraint     7 tyr     he2         8 leu       h       6.000  0.000   1
constraint     7 tyr     he1        35 ile    hg23       3.648  0.000   6
constraint     7 tyr     he1        35 ile    hg22       3.648  0.000   5
constraint     7 tyr     he1        35 ile    hg21       3.648  0.000   4
constraint     7 tyr     he2        35 ile    hg23       3.648  0.000   3
constraint     7 tyr     he2        35 ile    hg22       3.648  0.000   2
constraint     7 tyr     he2        35 ile    hg21       3.648  0.000   1
constraint     7 tyr     he1        36 ile       h       7.000  0.000   2
constraint     7 tyr     he2        36 ile       h       7.000  0.000   1
constraint     7 tyr     he1        36 ile      ha       5.000  0.000   2
constraint     7 tyr     he2        36 ile      ha       5.000  0.000   1
constraint     7 tyr     he1        37 glu     hb1       3.677  0.000   4
constraint     7 tyr     he1        37 glu     hb2       3.677  0.000   3
constraint     7 tyr     he2        37 glu     hb1       3.677  0.000   2
constraint     7 tyr     he2        37 glu     hb2       3.677  0.000   1
constraint     7 tyr     he1        37 glu     hg1       3.538  0.000   4
constraint     7 tyr     he1        37 glu     hg2       3.538  0.000   3
constraint     7 tyr     he2        37 glu     hg1       3.538  0.000   2
constraint     7 tyr     he2        37 glu     hg2       3.538  0.000   1
constraint     7 tyr     he1        37 glu     hg1       4.092  0.000   2
constraint     7 tyr     he2        37 glu     hg1       4.092  0.000   1
constraint     7 tyr     he1        37 glu     hg2       4.092  0.000   2
constraint     7 tyr     he2        37 glu     hg2       4.092  0.000   1
constraint     7 tyr     he1        39 phe     he1       3.924  0.000   4
constraint     7 tyr     he1        39 phe     he2       3.924  0.000   3
constraint     7 tyr     he2        39 phe     he1       3.924  0.000   2
constraint     7 tyr     he2        39 phe     he2       3.924  0.000   1
constraint     7 tyr     he1        47 lys       h       7.000  0.000   2
constraint     7 tyr     he2        47 lys       h       7.000  0.000   1
constraint     7 tyr     he1        47 lys      ha       4.171  0.000   2
constraint     7 tyr     he2        47 lys      ha       4.171  0.000   1
constraint     7 tyr     he1        47 lys     hb1       3.468  0.000  10
constraint     7 tyr     he1        47 lys     hb2       3.468  0.000   9
constraint     7 tyr     he1        51 ala     hb3       3.468  0.000   8
constraint     7 tyr     he1        51 ala     hb2       3.468  0.000   7
constraint     7 tyr     he1        51 ala     hb1       3.468  0.000   6
constraint     7 tyr     he2        47 lys     hb1       3.468  0.000   5
constraint     7 tyr     he2        47 lys     hb2       3.468  0.000   4
constraint     7 tyr     he2        51 ala     hb3       3.468  0.000   3
constraint     7 tyr     he2        51 ala     hb2       3.468  0.000   2
constraint     7 tyr     he2        51 ala     hb1       3.468  0.000   1
constraint     7 tyr     he1        47 lys     hg1       4.154  0.000   4
constraint     7 tyr     he1        47 lys     hg2       4.154  0.000   3
constraint     7 tyr     he2        47 lys     hg1       4.154  0.000   2
constraint     7 tyr     he2        47 lys     hg2       4.154  0.000   1
constraint     7 tyr     he1        47 lys     hg1       5.000  0.000   2
constraint     7 tyr     he2        47 lys     hg1       5.000  0.000   1
constraint     7 tyr     he1        47 lys     hg2       5.000  0.000   2
constraint     7 tyr     he2        47 lys     hg2       5.000  0.000   1
constraint     7 tyr     he1        48 gly       h       4.937  0.000   2
constraint     7 tyr     he2        48 gly       h       4.937  0.000   1
constraint     7 tyr     he1        48 gly     ha1       4.759  0.000   4
constraint     7 tyr     he1        48 gly     ha2       4.759  0.000   3
constraint     7 tyr     he2        48 gly     ha1       4.759  0.000   2
constraint     7 tyr     he2        48 gly     ha2       4.759  0.000   1
constraint     7 tyr     he1        48 gly     ha1       6.000  0.000   2
constraint     7 tyr     he2        48 gly     ha1       6.000  0.000   1
constraint     7 tyr     he1        48 gly     ha2       6.000  0.000   2
constraint     7 tyr     he2        48 gly     ha2       6.000  0.000   1
constraint     7 tyr     he1        50 asn     hb1       3.124  0.000   4
constraint     7 tyr     he1        50 asn     hb2       3.124  0.000   3
constraint     7 tyr     he2        50 asn     hb1       3.124  0.000   2
constraint     7 tyr     he2        50 asn     hb2       3.124  0.000   1
constraint     7 tyr     he1        50 asn     hb1       3.592  0.000   2
constraint     7 tyr     he2        50 asn     hb1       3.592  0.000   1
constraint     7 tyr     he1        50 asn     hb2       3.592  0.000   2
constraint     7 tyr     he2        50 asn     hb2       3.592  0.000   1
constraint     7 tyr     he1        51 ala      ha       4.227  0.000   2
constraint     7 tyr     he2        51 ala      ha       4.227  0.000   1
constraint     7 tyr     he1        52 asp       h       7.000  0.000   2
constraint     7 tyr     he2        52 asp       h       7.000  0.000   1
constraint     8 leu       h         8 leu      ha       2.960  0.000   2
constraint     8 leu      ha         9 phe       h       2.960  0.000   1
constraint     8 leu       h         8 leu     hb1       3.043  0.000   4
constraint     8 leu       h         8 leu     hb2       3.043  0.000   3
constraint     8 leu     hb1         9 phe       h       3.043  0.000   2
constraint     8 leu     hb2         9 phe       h       3.043  0.000   1
constraint     8 leu       h         8 leu     hb1       3.514  0.000   2
constraint     8 leu     hb1         9 phe       h       3.514  0.000   1
constraint     8 leu       h         8 leu     hb2       3.514  0.000   2
constraint     8 leu     hb2         9 phe       h       3.514  0.000   1
constraint     8 leu       h         8 leu      hg       3.992  0.000   2
constraint     8 leu      hg         9 phe       h       3.992  0.000   1
constraint     8 leu       h         8 leu    hd13       3.173  0.000  18
constraint     8 leu       h         8 leu    hd12       3.173  0.000  17
constraint     8 leu       h         8 leu    hd11       3.173  0.000  16
constraint     8 leu       h         8 leu    hd23       3.173  0.000  15
constraint     8 leu       h         8 leu    hd22       3.173  0.000  14
constraint     8 leu       h         8 leu    hd21       3.173  0.000  13
constraint     8 leu    hd13         9 phe       h       3.173  0.000  12
constraint     8 leu    hd12         9 phe       h       3.173  0.000  11
constraint     8 leu    hd11         9 phe       h       3.173  0.000  10
constraint     8 leu    hd23         9 phe       h       3.173  0.000   9
constraint     8 leu    hd22         9 phe       h       3.173  0.000   8
constraint     8 leu    hd21         9 phe       h       3.173  0.000   7
constraint     9 phe       h        56 leu    hd13       3.173  0.000   6
constraint     9 phe       h        56 leu    hd12       3.173  0.000   5
constraint     9 phe       h        56 leu    hd11       3.173  0.000   4
constraint     9 phe       h        56 leu    hd23       3.173  0.000   3
constraint     9 phe       h        56 leu    hd22       3.173  0.000   2
constraint     9 phe       h        56 leu    hd21       3.173  0.000   1
constraint     8 leu       h         9 phe     he1       4.712  0.000   2
constraint     8 leu       h         9 phe     he2       4.712  0.000   1
constraint     8 leu       h         9 phe      hz       7.000  0.000   2
constraint     9 phe       h         9 phe      hz       7.000  0.000   1
constraint     8 leu       h        16 thr    hg23       5.000  0.000   6
constraint     8 leu       h        16 thr    hg22       5.000  0.000   5
constraint     8 leu       h        16 thr    hg21       5.000  0.000   4
constraint     9 phe       h        16 thr    hg23       5.000  0.000   3
constraint     9 phe       h        16 thr    hg22       5.000  0.000   2
constraint     9 phe       h        16 thr    hg21       5.000  0.000   1
constraint     8 leu       h        37 glu       h       4.408  0.000   1
constraint     8 leu       h        37 glu      ha       5.000  0.000   1
constraint     8 leu       h        37 glu     hb1       5.000  0.000   2
constraint     8 leu       h        37 glu     hb2       5.000  0.000   1
constraint     8 leu       h        38 ala       h       5.000  0.000   1
constraint     8 leu       h        38 ala      ha       3.494  0.000   1
constraint     8 leu       h        39 phe       h       4.372  0.000   1
constraint     8 leu       h        39 phe     hb1       5.000  0.000   4
constraint     8 leu       h        39 phe     hb2       5.000  0.000   3
constraint     9 phe       h        39 phe     hb1       5.000  0.000   2
constraint     9 phe       h        39 phe     hb2       5.000  0.000   1
constraint     8 leu       h        39 phe     hd1       4.518  0.000   2
constraint     8 leu       h        39 phe     hd2       4.518  0.000   1
constraint     8 leu       h        39 phe     he1       5.000  0.000   2
constraint     8 leu       h        39 phe     he2       5.000  0.000   1
constraint     8 leu       h        55 leu       h       4.603  0.000   2
constraint     9 phe       h        55 leu       h       4.603  0.000   1
constraint     8 leu       h        55 leu     hb1       4.326  0.000   4
constraint     8 leu       h        55 leu     hb2       4.326  0.000   3
constraint     9 phe       h        55 leu     hb1       4.326  0.000   2
constraint     9 phe       h        55 leu     hb2       4.326  0.000   1
constraint     8 leu      ha         8 leu     hb1       3.177  0.000   2
constraint     8 leu      ha         8 leu     hb2       3.177  0.000   1
constraint     8 leu      ha         8 leu      hg       3.412  0.000   1
constraint     8 leu      ha         9 phe       h       2.500  0.000   1
constraint     8 leu      ha         9 phe      ha       5.000  0.000   1
constraint     8 leu      ha         9 phe     hb1       5.000  0.000   2
constraint     8 leu      ha         9 phe     hb2       5.000  0.000   1
constraint     8 leu      ha         9 phe     hd1       4.146  0.000   2
constraint     8 leu      ha         9 phe     hd2       4.146  0.000   1
constraint     8 leu      ha         9 phe     he1       8.000  0.000   2
constraint     8 leu      ha         9 phe     he2       8.000  0.000   1
constraint     8 leu      ha        16 thr    hg23       5.000  0.000   3
constraint     8 leu      ha        16 thr    hg22       5.000  0.000   2
constraint     8 leu      ha        16 thr    hg21       5.000  0.000   1
constraint     8 leu      ha        20 val    hg13       3.767  0.000  42
constraint     8 leu      ha        20 val    hg12       3.767  0.000  41
constraint     8 leu      ha        20 val    hg11       3.767  0.000  40
constraint     8 leu      ha        20 val    hg23       3.767  0.000  39
constraint     8 leu      ha        20 val    hg22       3.767  0.000  38
constraint     8 leu      ha        20 val    hg21       3.767  0.000  37
constraint    20 val    hg13        36 ile      ha       3.767  0.000  36
constraint    20 val    hg12        36 ile      ha       3.767  0.000  35
constraint    20 val    hg11        36 ile      ha       3.767  0.000  34
constraint    20 val    hg23        36 ile      ha       3.767  0.000  33
constraint    20 val    hg22        36 ile      ha       3.767  0.000  32
constraint    20 val    hg21        36 ile      ha       3.767  0.000  31
constraint    32 val    hg13        34 val      ha       3.767  0.000  30
constraint    32 val    hg12        34 val      ha       3.767  0.000  29
constraint    32 val    hg11        34 val      ha       3.767  0.000  28
constraint    32 val    hg13        36 ile      ha       3.767  0.000  27
constraint    32 val    hg12        36 ile      ha       3.767  0.000  26
constraint    32 val    hg11        36 ile      ha       3.767  0.000  25
constraint    32 val    hg23        34 val      ha       3.767  0.000  24
constraint    32 val    hg22        34 val      ha       3.767  0.000  23
constraint    32 val    hg21        34 val      ha       3.767  0.000  22
constraint    32 val    hg23        36 ile      ha       3.767  0.000  21
constraint    32 val    hg22        36 ile      ha       3.767  0.000  20
constraint    32 val    hg21        36 ile      ha       3.767  0.000  19
constraint    34 val      ha        35 ile    hg23       3.767  0.000  18
constraint    34 val      ha        35 ile    hg22       3.767  0.000  17
constraint    34 val      ha        35 ile    hg21       3.767  0.000  16
constraint    34 val      ha        53 val    hg23       3.767  0.000  15
constraint    34 val      ha        53 val    hg22       3.767  0.000  14
constraint    34 val      ha        53 val    hg21       3.767  0.000  13
constraint    34 val      ha        97 val    hg13       3.767  0.000  12
constraint    34 val      ha        97 val    hg12       3.767  0.000  11
constraint    34 val      ha        97 val    hg11       3.767  0.000  10
constraint    34 val      ha        97 val    hg23       3.767  0.000   9
constraint    34 val      ha        97 val    hg22       3.767  0.000   8
constraint    34 val      ha        97 val    hg21       3.767  0.000   7
constraint    35 ile    hg23        36 ile      ha       3.767  0.000   6
constraint    35 ile    hg22        36 ile      ha       3.767  0.000   5
constraint    35 ile    hg21        36 ile      ha       3.767  0.000   4
constraint    36 ile      ha        53 val    hg23       3.767  0.000   3
constraint    36 ile      ha        53 val    hg22       3.767  0.000   2
constraint    36 ile      ha        53 val    hg21       3.767  0.000   1
constraint     8 leu      ha        38 ala      ha       7.907  0.000   2
constraint    36 ile      ha        38 ala      ha       7.907  0.000   1
constraint     8 leu      ha        38 ala      ha       4.907  0.000   1
constraint     8 leu      ha        38 ala     hb3       4.275  0.000  13
constraint     8 leu      ha        38 ala     hb2       4.275  0.000  12
constraint     8 leu      ha        38 ala     hb1       4.275  0.000  11
constraint     8 leu      ha        92 val    hg13       4.275  0.000  10
constraint     8 leu      ha        92 val    hg12       4.275  0.000   9
constraint     8 leu      ha        92 val    hg11       4.275  0.000   8
constraint     8 leu      ha        92 val    hg23       4.275  0.000   7
constraint     8 leu      ha        92 val    hg22       4.275  0.000   6
constraint     8 leu      ha        92 val    hg21       4.275  0.000   5
constraint    34 val      ha        35 ile    hg11       4.275  0.000   4
constraint    34 val      ha        35 ile    hg12       4.275  0.000   3
constraint    35 ile    hg11        36 ile      ha       4.275  0.000   2
constraint    35 ile    hg12        36 ile      ha       4.275  0.000   1
constraint     8 leu      ha        55 leu       h       3.863  0.000   1
constraint     8 leu      ha        55 leu      ha       5.000  0.000   1
constraint     8 leu      ha        55 leu     hb1       3.329  0.000   6
constraint     8 leu      ha        55 leu     hb2       3.329  0.000   5
constraint    34 val      ha        35 ile      hb       3.329  0.000   4
constraint    34 val      ha        35 ile    hg11       3.329  0.000   3
constraint    34 val      ha        35 ile    hg12       3.329  0.000   2
constraint    35 ile      hb        36 ile      ha       3.329  0.000   1
constraint     8 leu      ha        55 leu     hb1       4.000  0.000   2
constraint     8 leu      ha        55 leu     hb2       4.000  0.000   1
constraint     8 leu      ha        55 leu      hg       4.500  0.000   1
constraint     8 leu      ha        56 leu       h       5.000  0.000   1
constraint     8 leu      ha        56 leu      ha       4.855  0.000   1
constraint     8 leu     hb1         9 phe      ha       4.623  0.000   2
constraint     8 leu     hb2         9 phe      ha       4.623  0.000   1
constraint     8 leu     hb1         9 phe      ha       8.000  0.000   1
constraint     8 leu     hb1         9 phe     hd1       4.278  0.000  13
constraint     8 leu     hb1         9 phe     hd2       4.278  0.000  12
constraint     8 leu     hb2         9 phe     hd1       4.278  0.000  11
constraint     8 leu     hb2         9 phe     hd2       4.278  0.000  10
constraint     9 phe     hd1        47 lys     hb1       4.278  0.000   9
constraint     9 phe     hd1        47 lys     hb2       4.278  0.000   8
constraint     9 phe     hd2        47 lys     hb1       4.278  0.000   7
constraint     9 phe     hd2        47 lys     hb2       4.278  0.000   6
constraint    47 lys     hb1        49 gln       h       4.278  0.000   5
constraint    47 lys     hb2        49 gln       h       4.278  0.000   4
constraint    49 gln       h        51 ala     hb3       4.278  0.000   3
constraint    49 gln       h        51 ala     hb2       4.278  0.000   2
constraint    49 gln       h        51 ala     hb1       4.278  0.000   1
constraint     8 leu     hb1        38 ala      ha       3.382  0.000   2
constraint     8 leu     hb2        38 ala      ha       3.382  0.000   1
constraint     8 leu     hb1        38 ala      ha       3.987  0.000   1
constraint     8 leu     hb1        39 phe       h       4.493  0.000   2
constraint     8 leu     hb2        39 phe       h       4.493  0.000   1
constraint     8 leu     hb1        79 ile     hd3       2.825  0.000  33
constraint     8 leu     hb1        79 ile     hd2       2.825  0.000  32
constraint     8 leu     hb1        79 ile     hd1       2.825  0.000  31
constraint     8 leu     hb2        79 ile     hd3       2.825  0.000  30
constraint     8 leu     hb2        79 ile     hd2       2.825  0.000  29
constraint     8 leu     hb2        79 ile     hd1       2.825  0.000  28
constraint    79 ile    hg23        79 ile     hd3       2.825  0.000  27
constraint    79 ile    hg23        79 ile     hd2       2.825  0.000  26
constraint    79 ile    hg23        79 ile     hd1       2.825  0.000  25
constraint    79 ile    hg22        79 ile     hd3       2.825  0.000  24
constraint    79 ile    hg22        79 ile     hd2       2.825  0.000  23
constraint    79 ile    hg22        79 ile     hd1       2.825  0.000  22
constraint    79 ile    hg21        79 ile     hd3       2.825  0.000  21
constraint    79 ile    hg21        79 ile     hd2       2.825  0.000  20
constraint    79 ile    hg21        79 ile     hd1       2.825  0.000  19
constraint    79 ile    hg23        83 leu    hd13       2.825  0.000  18
constraint    79 ile    hg23        83 leu    hd12       2.825  0.000  17
constraint    79 ile    hg23        83 leu    hd11       2.825  0.000  16
constraint    79 ile    hg22        83 leu    hd13       2.825  0.000  15
constraint    79 ile    hg22        83 leu    hd12       2.825  0.000  14
constraint    79 ile    hg22        83 leu    hd11       2.825  0.000  13
constraint    79 ile    hg21        83 leu    hd13       2.825  0.000  12
constraint    79 ile    hg21        83 leu    hd12       2.825  0.000  11
constraint    79 ile    hg21        83 leu    hd11       2.825  0.000  10
constraint    79 ile    hg23        83 leu    hd23       2.825  0.000   9
constraint    79 ile    hg23        83 leu    hd22       2.825  0.000   8
constraint    79 ile    hg23        83 leu    hd21       2.825  0.000   7
constraint    79 ile    hg22        83 leu    hd23       2.825  0.000   6
constraint    79 ile    hg22        83 leu    hd22       2.825  0.000   5
constraint    79 ile    hg22        83 leu    hd21       2.825  0.000   4
constraint    79 ile    hg21        83 leu    hd23       2.825  0.000   3
constraint    79 ile    hg21        83 leu    hd22       2.825  0.000   2
constraint    79 ile    hg21        83 leu    hd21       2.825  0.000   1
constraint     8 leu     hb2         9 phe      ha       8.000  0.000   1
constraint     8 leu     hb2        38 ala      ha       3.987  0.000   1
constraint     8 leu      hg        38 ala      ha       5.000  0.000   1
constraint     8 leu      hg        55 leu       h       4.796  0.000   1
constraint     8 leu      hg        84 tyr     hd1       5.000  0.000   8
constraint     8 leu      hg        84 tyr     hd2       5.000  0.000   7
constraint    29 lys     hb2        30 tyr     he1       5.000  0.000   6
constraint    29 lys     hb2        30 tyr     he2       5.000  0.000   5
constraint    79 ile    hg11        84 tyr     hd1       5.000  0.000   4
constraint    79 ile    hg11        84 tyr     hd2       5.000  0.000   3
constraint    79 ile    hg12        84 tyr     hd1       5.000  0.000   2
constraint    79 ile    hg12        84 tyr     hd2       5.000  0.000   1
constraint     8 leu    hd13        10 ser       h       3.732  0.000  30
constraint     8 leu    hd12        10 ser       h       3.732  0.000  29
constraint     8 leu    hd11        10 ser       h       3.732  0.000  28
constraint     8 leu    hd23        10 ser       h       3.732  0.000  27
constraint     8 leu    hd22        10 ser       h       3.732  0.000  26
constraint     8 leu    hd21        10 ser       h       3.732  0.000  25
constraint    10 ser       h        56 leu    hd13       3.732  0.000  24
constraint    10 ser       h        56 leu    hd12       3.732  0.000  23
constraint    10 ser       h        56 leu    hd11       3.732  0.000  22
constraint    10 ser       h        56 leu    hd23       3.732  0.000  21
constraint    10 ser       h        56 leu    hd22       3.732  0.000  20
constraint    10 ser       h        56 leu    hd21       3.732  0.000  19
constraint    55 leu    hd13        96 ala       h       3.732  0.000  18
constraint    55 leu    hd12        96 ala       h       3.732  0.000  17
constraint    55 leu    hd11        96 ala       h       3.732  0.000  16
constraint    55 leu    hd23        96 ala       h       3.732  0.000  15
constraint    55 leu    hd22        96 ala       h       3.732  0.000  14
constraint    55 leu    hd21        96 ala       h       3.732  0.000  13
constraint    56 leu    hd13        57 gly       h       3.732  0.000  12
constraint    56 leu    hd12        57 gly       h       3.732  0.000  11
constraint    56 leu    hd11        57 gly       h       3.732  0.000  10
constraint    56 leu    hd23        57 gly       h       3.732  0.000   9
constraint    56 leu    hd22        57 gly       h       3.732  0.000   8
constraint    56 leu    hd21        57 gly       h       3.732  0.000   7
constraint    93 leu    hd13        96 ala       h       3.732  0.000   6
constraint    93 leu    hd12        96 ala       h       3.732  0.000   5
constraint    93 leu    hd11        96 ala       h       3.732  0.000   4
constraint    93 leu    hd23        96 ala       h       3.732  0.000   3
constraint    93 leu    hd22        96 ala       h       3.732  0.000   2
constraint    93 leu    hd21        96 ala       h       3.732  0.000   1
constraint     8 leu    hd13        16 thr    hg23       2.999  0.000  18
constraint     8 leu    hd13        16 thr    hg22       2.999  0.000  17
constraint     8 leu    hd13        16 thr    hg21       2.999  0.000  16
constraint     8 leu    hd12        16 thr    hg23       2.999  0.000  15
constraint     8 leu    hd12        16 thr    hg22       2.999  0.000  14
constraint     8 leu    hd12        16 thr    hg21       2.999  0.000  13
constraint     8 leu    hd11        16 thr    hg23       2.999  0.000  12
constraint     8 leu    hd11        16 thr    hg22       2.999  0.000  11
constraint     8 leu    hd11        16 thr    hg21       2.999  0.000  10
constraint     8 leu    hd23        16 thr    hg23       2.999  0.000   9
constraint     8 leu    hd23        16 thr    hg22       2.999  0.000   8
constraint     8 leu    hd23        16 thr    hg21       2.999  0.000   7
constraint     8 leu    hd22        16 thr    hg23       2.999  0.000   6
constraint     8 leu    hd22        16 thr    hg22       2.999  0.000   5
constraint     8 leu    hd22        16 thr    hg21       2.999  0.000   4
constraint     8 leu    hd21        16 thr    hg23       2.999  0.000   3
constraint     8 leu    hd21        16 thr    hg22       2.999  0.000   2
constraint     8 leu    hd21        16 thr    hg21       2.999  0.000   1
constraint     8 leu    hd13        38 ala      ha       4.108  0.000   6
constraint     8 leu    hd12        38 ala      ha       4.108  0.000   5
constraint     8 leu    hd11        38 ala      ha       4.108  0.000   4
constraint     8 leu    hd23        38 ala      ha       4.108  0.000   3
constraint     8 leu    hd22        38 ala      ha       4.108  0.000   2
constraint     8 leu    hd21        38 ala      ha       4.108  0.000   1
constraint     8 leu    hd13        55 leu       h       3.978  0.000  18
constraint     8 leu    hd12        55 leu       h       3.978  0.000  17
constraint     8 leu    hd11        55 leu       h       3.978  0.000  16
constraint     8 leu    hd23        55 leu       h       3.978  0.000  15
constraint     8 leu    hd22        55 leu       h       3.978  0.000  14
constraint     8 leu    hd21        55 leu       h       3.978  0.000  13
constraint    55 leu       h        55 leu    hd13       3.978  0.000  12
constraint    55 leu       h        55 leu    hd12       3.978  0.000  11
constraint    55 leu       h        55 leu    hd11       3.978  0.000  10
constraint    55 leu       h        55 leu    hd23       3.978  0.000   9
constraint    55 leu       h        55 leu    hd22       3.978  0.000   8
constraint    55 leu       h        55 leu    hd21       3.978  0.000   7
constraint    55 leu       h        56 leu    hd13       3.978  0.000   6
constraint    55 leu       h        56 leu    hd12       3.978  0.000   5
constraint    55 leu       h        56 leu    hd11       3.978  0.000   4
constraint    55 leu       h        56 leu    hd23       3.978  0.000   3
constraint    55 leu       h        56 leu    hd22       3.978  0.000   2
constraint    55 leu       h        56 leu    hd21       3.978  0.000   1
constraint     8 leu    hd13        84 tyr     he1       3.627  0.000  12
constraint     8 leu    hd12        84 tyr     he1       3.627  0.000  11
constraint     8 leu    hd11        84 tyr     he1       3.627  0.000  10
constraint     8 leu    hd13        84 tyr     he2       3.627  0.000   9
constraint     8 leu    hd12        84 tyr     he2       3.627  0.000   8
constraint     8 leu    hd11        84 tyr     he2       3.627  0.000   7
constraint     8 leu    hd23        84 tyr     he1       3.627  0.000   6
constraint     8 leu    hd22        84 tyr     he1       3.627  0.000   5
constraint     8 leu    hd21        84 tyr     he1       3.627  0.000   4
constraint     8 leu    hd23        84 tyr     he2       3.627  0.000   3
constraint     8 leu    hd22        84 tyr     he2       3.627  0.000   2
constraint     8 leu    hd21        84 tyr     he2       3.627  0.000   1
constraint     9 phe       h         9 phe     hb1       4.111  0.000   2
constraint     9 phe       h         9 phe     hb2       4.111  0.000   1
constraint     9 phe       h         9 phe     hd1       3.537  0.000   2
constraint     9 phe       h         9 phe     hd2       3.537  0.000   1
constraint     9 phe       h        10 ser       h       4.447  0.000   1
constraint     9 phe       h        56 leu       h       4.023  0.000   3
constraint    56 leu       h        78 val       h       4.023  0.000   2
constraint    56 leu       h        79 ile       h       4.023  0.000   1
constraint     9 phe       h        56 leu      ha       3.926  0.000   1
constraint     9 phe       h        84 tyr     he1       8.000  0.000   2
constraint     9 phe       h        84 tyr     he2       8.000  0.000   1
constraint     9 phe      ha         9 phe     hd1       3.305  0.000   2
constraint     9 phe      ha         9 phe     hd2       3.305  0.000   1
constraint     9 phe      ha         9 phe     he1       4.626  0.000   2
constraint     9 phe      ha         9 phe     he2       4.626  0.000   1
constraint     9 phe      ha        10 ser       h       2.962  0.000   1
constraint     9 phe      ha        10 ser      ha       4.870  0.000   1
constraint     9 phe      ha        10 ser     hb1       4.431  0.000   2
constraint     9 phe      ha        10 ser     hb2       4.431  0.000   1
constraint     9 phe      ha        10 ser     hb1       5.000  0.000   1
constraint     9 phe      ha        10 ser     hb2       5.000  0.000   1
constraint     9 phe      ha        16 thr    hg23       5.000  0.000   3
constraint     9 phe      ha        16 thr    hg22       5.000  0.000   2
constraint     9 phe      ha        16 thr    hg21       5.000  0.000   1
constraint     9 phe      ha        38 ala      ha       4.644  0.000   1
constraint     9 phe      ha        38 ala     hb3       6.000  0.000   3
constraint     9 phe      ha        38 ala     hb2       6.000  0.000   2
constraint     9 phe      ha        38 ala     hb1       6.000  0.000   1
constraint     9 phe      ha        39 phe       h       3.756  0.000   1
constraint     9 phe      ha        39 phe      ha       5.000  0.000   2
constraint     9 phe      ha        40 pro      ha       5.000  0.000   1
constraint     9 phe      ha        39 phe     hb1       4.343  0.000   2
constraint     9 phe      ha        39 phe     hb2       4.343  0.000   1
constraint     9 phe      ha        39 phe     hb1       5.000  0.000   1
constraint     9 phe      ha        39 phe     hb2       5.000  0.000   1
constraint     9 phe      ha        39 phe     hd1       4.855  0.000   2
constraint     9 phe      ha        39 phe     hd2       4.855  0.000   1
constraint     9 phe      ha        41 glu       h       5.000  0.000   1
constraint     9 phe      ha        41 glu      ha       4.165  0.000   1
constraint     9 phe      ha        41 glu     hb1       6.000  0.000   2
constraint     9 phe      ha        41 glu     hb2       6.000  0.000   1
constraint     9 phe      ha        44 ala     hb3       5.000  0.000   3
constraint     9 phe      ha        44 ala     hb2       5.000  0.000   2
constraint     9 phe      ha        44 ala     hb1       5.000  0.000   1
constraint     9 phe      ha        56 leu    hd13       4.625  0.000   6
constraint     9 phe      ha        56 leu    hd12       4.625  0.000   5
constraint     9 phe      ha        56 leu    hd11       4.625  0.000   4
constraint     9 phe      ha        56 leu    hd23       4.625  0.000   3
constraint     9 phe      ha        56 leu    hd22       4.625  0.000   2
constraint     9 phe      ha        56 leu    hd21       4.625  0.000   1
constraint     9 phe      ha        60 ile    hg23       4.895  0.000   6
constraint     9 phe      ha        60 ile    hg22       4.895  0.000   5
constraint     9 phe      ha        60 ile    hg21       4.895  0.000   4
constraint     9 phe      ha        60 ile     hd3       4.895  0.000   3
constraint     9 phe      ha        60 ile     hd2       4.895  0.000   2
constraint     9 phe      ha        60 ile     hd1       4.895  0.000   1
constraint     9 phe     hb1         9 phe     hd1       2.791  0.000   4
constraint     9 phe     hb1         9 phe     hd2       2.791  0.000   3
constraint     9 phe     hb2         9 phe     hd1       2.791  0.000   2
constraint     9 phe     hb2         9 phe     hd2       2.791  0.000   1
constraint     9 phe     hb1         9 phe     hd1       3.169  0.000   2
constraint     9 phe     hb2         9 phe     hd1       3.169  0.000   1
constraint     9 phe     hb1         9 phe     hd2       3.169  0.000   2
constraint     9 phe     hb2         9 phe     hd2       3.169  0.000   1
constraint     9 phe     hb1        10 ser       h       3.867  0.000   3
constraint     9 phe     hb2        10 ser       h       3.867  0.000   2
constraint    44 ala      ha        47 lys       h       3.867  0.000   1
constraint     9 phe     hb1        10 ser       h       4.438  0.000   2
constraint     9 phe     hb2        10 ser       h       4.438  0.000   1
constraint     9 phe     hb1        38 ala      ha       7.000  0.000   4
constraint     9 phe     hb2        38 ala      ha       7.000  0.000   3
constraint    38 ala      ha        44 ala      ha       7.000  0.000   2
constraint    38 ala      ha        47 lys     he2       7.000  0.000   1
constraint     9 phe     hb1        39 phe       h       6.000  0.000   2
constraint     9 phe     hb2        39 phe       h       6.000  0.000   1
constraint     9 phe     hb1        41 glu       h       5.000  0.000   1
constraint     9 phe     hb1        41 glu      ha       3.052  0.000   2
constraint     9 phe     hb2        41 glu      ha       3.052  0.000   1
constraint     9 phe     hb1        41 glu      ha       3.669  0.000   1
constraint     9 phe     hb1        44 ala     hb3       4.585  0.000   6
constraint     9 phe     hb1        44 ala     hb2       4.585  0.000   5
constraint     9 phe     hb1        44 ala     hb1       4.585  0.000   4
constraint     9 phe     hb2        44 ala     hb3       4.585  0.000   3
constraint     9 phe     hb2        44 ala     hb2       4.585  0.000   2
constraint     9 phe     hb2        44 ala     hb1       4.585  0.000   1
constraint     9 phe     hb1        54 val    hg13       4.306  0.000  18
constraint     9 phe     hb1        54 val    hg12       4.306  0.000  17
constraint     9 phe     hb1        54 val    hg11       4.306  0.000  16
constraint     9 phe     hb1        54 val    hg23       4.306  0.000  15
constraint     9 phe     hb1        54 val    hg22       4.306  0.000  14
constraint     9 phe     hb1        54 val    hg21       4.306  0.000  13
constraint     9 phe     hb2        54 val    hg13       4.306  0.000  12
constraint     9 phe     hb2        54 val    hg12       4.306  0.000  11
constraint     9 phe     hb2        54 val    hg11       4.306  0.000  10
constraint     9 phe     hb2        54 val    hg23       4.306  0.000   9
constraint     9 phe     hb2        54 val    hg22       4.306  0.000   8
constraint     9 phe     hb2        54 val    hg21       4.306  0.000   7
constraint    44 ala      ha        54 val    hg13       4.306  0.000   6
constraint    44 ala      ha        54 val    hg12       4.306  0.000   5
constraint    44 ala      ha        54 val    hg11       4.306  0.000   4
constraint    44 ala      ha        54 val    hg23       4.306  0.000   3
constraint    44 ala      ha        54 val    hg22       4.306  0.000   2
constraint    44 ala      ha        54 val    hg21       4.306  0.000   1
constraint     9 phe     hb1        56 leu      ha       4.103  0.000   2
constraint     9 phe     hb2        56 leu      ha       4.103  0.000   1
constraint     9 phe     hb1        56 leu      ha       4.778  0.000   1
constraint     9 phe     hb1        56 leu      hg       4.496  0.000   2
constraint     9 phe     hb2        56 leu      hg       4.496  0.000   1
constraint     9 phe     hb1        56 leu    hd13       3.170  0.000  12
constraint     9 phe     hb1        56 leu    hd12       3.170  0.000  11
constraint     9 phe     hb1        56 leu    hd11       3.170  0.000  10
constraint     9 phe     hb1        56 leu    hd23       3.170  0.000   9
constraint     9 phe     hb1        56 leu    hd22       3.170  0.000   8
constraint     9 phe     hb1        56 leu    hd21       3.170  0.000   7
constraint     9 phe     hb2        56 leu    hd13       3.170  0.000   6
constraint     9 phe     hb2        56 leu    hd12       3.170  0.000   5
constraint     9 phe     hb2        56 leu    hd11       3.170  0.000   4
constraint     9 phe     hb2        56 leu    hd23       3.170  0.000   3
constraint     9 phe     hb2        56 leu    hd22       3.170  0.000   2
constraint     9 phe     hb2        56 leu    hd21       3.170  0.000   1
constraint     9 phe     hb1        56 leu    hd13       3.777  0.000   6
constraint     9 phe     hb1        56 leu    hd12       3.777  0.000   5
constraint     9 phe     hb1        56 leu    hd11       3.777  0.000   4
constraint     9 phe     hb1        56 leu    hd23       3.777  0.000   3
constraint     9 phe     hb1        56 leu    hd22       3.777  0.000   2
constraint     9 phe     hb1        56 leu    hd21       3.777  0.000   1
constraint     9 phe     hb1        60 ile     hd3       3.494  0.000  24
constraint     9 phe     hb1        60 ile     hd2       3.494  0.000  23
constraint     9 phe     hb1        60 ile     hd1       3.494  0.000  22
constraint     9 phe     hb2        60 ile     hd3       3.494  0.000  21
constraint     9 phe     hb2        60 ile     hd2       3.494  0.000  20
constraint     9 phe     hb2        60 ile     hd1       3.494  0.000  19
constraint    44 ala      ha        54 val    hg13       3.494  0.000  18
constraint    44 ala      ha        54 val    hg12       3.494  0.000  17
constraint    44 ala      ha        54 val    hg11       3.494  0.000  16
constraint    44 ala      ha        54 val    hg23       3.494  0.000  15
constraint    44 ala      ha        54 val    hg22       3.494  0.000  14
constraint    44 ala      ha        54 val    hg21       3.494  0.000  13
constraint    52 asp     hb1        53 val    hg13       3.494  0.000  12
constraint    52 asp     hb1        53 val    hg12       3.494  0.000  11
constraint    52 asp     hb1        53 val    hg11       3.494  0.000  10
constraint    52 asp     hb1        53 val    hg23       3.494  0.000   9
constraint    52 asp     hb1        53 val    hg22       3.494  0.000   8
constraint    52 asp     hb1        53 val    hg21       3.494  0.000   7
constraint    52 asp     hb2        53 val    hg13       3.494  0.000   6
constraint    52 asp     hb2        53 val    hg12       3.494  0.000   5
constraint    52 asp     hb2        53 val    hg11       3.494  0.000   4
constraint    52 asp     hb2        53 val    hg23       3.494  0.000   3
constraint    52 asp     hb2        53 val    hg22       3.494  0.000   2
constraint    52 asp     hb2        53 val    hg21       3.494  0.000   1
constraint     9 phe     hb1        67 ile    hg23       3.520  0.000  31
constraint     9 phe     hb1        67 ile    hg22       3.520  0.000  30
constraint     9 phe     hb1        67 ile    hg21       3.520  0.000  29
constraint     9 phe     hb2        67 ile    hg23       3.520  0.000  28
constraint     9 phe     hb2        67 ile    hg22       3.520  0.000  27
constraint     9 phe     hb2        67 ile    hg21       3.520  0.000  26
constraint    34 val    hg13        52 asp     hb1       3.520  0.000  25
constraint    34 val    hg12        52 asp     hb1       3.520  0.000  24
constraint    34 val    hg11        52 asp     hb1       3.520  0.000  23
constraint    34 val    hg13        52 asp     hb2       3.520  0.000  22
constraint    34 val    hg12        52 asp     hb2       3.520  0.000  21
constraint    34 val    hg11        52 asp     hb2       3.520  0.000  20
constraint    34 val    hg23        52 asp     hb1       3.520  0.000  19
constraint    34 val    hg22        52 asp     hb1       3.520  0.000  18
constraint    34 val    hg21        52 asp     hb1       3.520  0.000  17
constraint    34 val    hg23        52 asp     hb2       3.520  0.000  16
constraint    34 val    hg22        52 asp     hb2       3.520  0.000  15
constraint    34 val    hg21        52 asp     hb2       3.520  0.000  14
constraint    44 ala      ha        67 ile    hg23       3.520  0.000  13
constraint    44 ala      ha        67 ile    hg22       3.520  0.000  12
constraint    44 ala      ha        67 ile    hg21       3.520  0.000  11
constraint    52 asp     hb1       100 ile    hg11       3.520  0.000  10
constraint    52 asp     hb1       100 ile    hg12       3.520  0.000   9
constraint    52 asp     hb1       100 ile     hd3       3.520  0.000   8
constraint    52 asp     hb1       100 ile     hd2       3.520  0.000   7
constraint    52 asp     hb1       100 ile     hd1       3.520  0.000   6
constraint    52 asp     hb2       100 ile    hg11       3.520  0.000   5
constraint    52 asp     hb2       100 ile    hg12       3.520  0.000   4
constraint    52 asp     hb2       100 ile     hd3       3.520  0.000   3
constraint    52 asp     hb2       100 ile     hd2       3.520  0.000   2
constraint    52 asp     hb2       100 ile     hd1       3.520  0.000   1
constraint     9 phe     hb1        67 ile     hd3       4.471  0.000   6
constraint     9 phe     hb1        67 ile     hd2       4.471  0.000   5
constraint     9 phe     hb1        67 ile     hd1       4.471  0.000   4
constraint     9 phe     hb2        67 ile     hd3       4.471  0.000   3
constraint     9 phe     hb2        67 ile     hd2       4.471  0.000   2
constraint     9 phe     hb2        67 ile     hd1       4.471  0.000   1
constraint     9 phe     hb2        41 glu       h       5.000  0.000   1
constraint     9 phe     hb2        41 glu      ha       3.669  0.000   1
constraint     9 phe     hb2        56 leu      ha       4.778  0.000   1
constraint     9 phe     hb2        56 leu    hd13       3.777  0.000   6
constraint     9 phe     hb2        56 leu    hd12       3.777  0.000   5
constraint     9 phe     hb2        56 leu    hd11       3.777  0.000   4
constraint     9 phe     hb2        56 leu    hd23       3.777  0.000   3
constraint     9 phe     hb2        56 leu    hd22       3.777  0.000   2
constraint     9 phe     hb2        56 leu    hd21       3.777  0.000   1
constraint     9 phe     hd1        10 ser       h       3.910  0.000   3
constraint     9 phe     hd2        10 ser       h       3.910  0.000   2
constraint    47 lys       h        49 gln       h       3.910  0.000   1
constraint     9 phe     hd1        10 ser       h       5.000  0.000   2
constraint     9 phe     hd2        10 ser       h       5.000  0.000   1
constraint     9 phe     hd1        38 ala      ha       7.000  0.000   2
constraint     9 phe     hd2        38 ala      ha       7.000  0.000   1
constraint     9 phe     hd1        39 phe       h       4.426  0.000   2
constraint     9 phe     hd2        39 phe       h       4.426  0.000   1
constraint     9 phe     hd1        39 phe      ha       4.387  0.000   6
constraint     9 phe     hd1        40 pro      ha       4.387  0.000   5
constraint     9 phe     hd2        39 phe      ha       4.387  0.000   4
constraint     9 phe     hd2        40 pro      ha       4.387  0.000   3
constraint    39 phe      ha        42 thr       h       4.387  0.000   2
constraint    40 pro      ha        42 thr       h       4.387  0.000   1
constraint     9 phe     hd1        39 phe      ha       5.000  0.000   4
constraint     9 phe     hd1        40 pro      ha       5.000  0.000   3
constraint     9 phe     hd2        39 phe      ha       5.000  0.000   2
constraint     9 phe     hd2        40 pro      ha       5.000  0.000   1
constraint     9 phe     hd1        39 phe     hb1       3.050  0.000   4
constraint     9 phe     hd1        39 phe     hb2       3.050  0.000   3
constraint     9 phe     hd2        39 phe     hb1       3.050  0.000   2
constraint     9 phe     hd2        39 phe     hb2       3.050  0.000   1
constraint     9 phe     hd1        39 phe     hb1       3.891  0.000   2
constraint     9 phe     hd2        39 phe     hb1       3.891  0.000   1
constraint     9 phe     hd1        39 phe     hb2       3.891  0.000   2
constraint     9 phe     hd2        39 phe     hb2       3.891  0.000   1
constraint     9 phe     hd1        39 phe     hd1       3.848  0.000   4
constraint     9 phe     hd1        39 phe     hd2       3.848  0.000   3
constraint     9 phe     hd2        39 phe     hd1       3.848  0.000   2
constraint     9 phe     hd2        39 phe     hd2       3.848  0.000   1
constraint     9 phe     hd1        39 phe     he1       7.000  0.000   4
constraint     9 phe     hd1        39 phe     he2       7.000  0.000   3
constraint     9 phe     hd2        39 phe     he1       7.000  0.000   2
constraint     9 phe     hd2        39 phe     he2       7.000  0.000   1
constraint     9 phe     hd1        41 glu      ha       3.076  0.000   4
constraint     9 phe     hd2        41 glu      ha       3.076  0.000   3
constraint    41 glu      ha        42 thr       h       3.076  0.000   2
constraint    42 thr       h        42 thr      ha       3.076  0.000   1
constraint     9 phe     hd1        44 ala     hb3       3.588  0.000   6
constraint     9 phe     hd1        44 ala     hb2       3.588  0.000   5
constraint     9 phe     hd1        44 ala     hb1       3.588  0.000   4
constraint     9 phe     hd2        44 ala     hb3       3.588  0.000   3
constraint     9 phe     hd2        44 ala     hb2       3.588  0.000   2
constraint     9 phe     hd2        44 ala     hb1       3.588  0.000   1
constraint     9 phe     hd1        47 lys     hg1       7.000  0.000   6
constraint     9 phe     hd1        47 lys     hg2       7.000  0.000   5
constraint     9 phe     hd2        47 lys     hg1       7.000  0.000   4
constraint     9 phe     hd2        47 lys     hg2       7.000  0.000   3
constraint    47 lys     hg1        49 gln       h       7.000  0.000   2
constraint    47 lys     hg2        49 gln       h       7.000  0.000   1
constraint     9 phe     hd1        54 val      ha       6.000  0.000   2
constraint     9 phe     hd2        54 val      ha       6.000  0.000   1
constraint     9 phe     hd1        54 val    hg13       2.934  0.000  12
constraint     9 phe     hd1        54 val    hg12       2.934  0.000  11
constraint     9 phe     hd1        54 val    hg11       2.934  0.000  10
constraint     9 phe     hd1        54 val    hg23       2.934  0.000   9
constraint     9 phe     hd1        54 val    hg22       2.934  0.000   8
constraint     9 phe     hd1        54 val    hg21       2.934  0.000   7
constraint     9 phe     hd2        54 val    hg13       2.934  0.000   6
constraint     9 phe     hd2        54 val    hg12       2.934  0.000   5
constraint     9 phe     hd2        54 val    hg11       2.934  0.000   4
constraint     9 phe     hd2        54 val    hg23       2.934  0.000   3
constraint     9 phe     hd2        54 val    hg22       2.934  0.000   2
constraint     9 phe     hd2        54 val    hg21       2.934  0.000   1
constraint     9 phe     hd1        55 leu       h       4.522  0.000   2
constraint     9 phe     hd2        55 leu       h       4.522  0.000   1
constraint     9 phe     hd1        55 leu      ha       5.000  0.000   2
constraint     9 phe     hd2        55 leu      ha       5.000  0.000   1
constraint     9 phe     hd1        56 leu      ha       4.574  0.000   2
constraint     9 phe     hd2        56 leu      ha       4.574  0.000   1
constraint     9 phe     hd1        56 leu    hd13       3.874  0.000  30
constraint     9 phe     hd1        56 leu    hd12       3.874  0.000  29
constraint     9 phe     hd1        56 leu    hd11       3.874  0.000  28
constraint     9 phe     hd1        56 leu    hd23       3.874  0.000  27
constraint     9 phe     hd1        56 leu    hd22       3.874  0.000  26
constraint     9 phe     hd1        56 leu    hd21       3.874  0.000  25
constraint     9 phe     hd1        76 val    hg13       3.874  0.000  24
constraint     9 phe     hd1        76 val    hg12       3.874  0.000  23
constraint     9 phe     hd1        76 val    hg11       3.874  0.000  22
constraint     9 phe     hd1        76 val    hg23       3.874  0.000  21
constraint     9 phe     hd1        76 val    hg22       3.874  0.000  20
constraint     9 phe     hd1        76 val    hg21       3.874  0.000  19
constraint     9 phe     hd2        56 leu    hd13       3.874  0.000  18
constraint     9 phe     hd2        56 leu    hd12       3.874  0.000  17
constraint     9 phe     hd2        56 leu    hd11       3.874  0.000  16
constraint     9 phe     hd2        56 leu    hd23       3.874  0.000  15
constraint     9 phe     hd2        56 leu    hd22       3.874  0.000  14
constraint     9 phe     hd2        56 leu    hd21       3.874  0.000  13
constraint     9 phe     hd2        76 val    hg13       3.874  0.000  12
constraint     9 phe     hd2        76 val    hg12       3.874  0.000  11
constraint     9 phe     hd2        76 val    hg11       3.874  0.000  10
constraint     9 phe     hd2        76 val    hg23       3.874  0.000   9
constraint     9 phe     hd2        76 val    hg22       3.874  0.000   8
constraint     9 phe     hd2        76 val    hg21       3.874  0.000   7
constraint    49 gln       h        71 leu    hd13       3.874  0.000   6
constraint    49 gln       h        71 leu    hd12       3.874  0.000   5
constraint    49 gln       h        71 leu    hd11       3.874  0.000   4
constraint    49 gln       h        71 leu    hd23       3.874  0.000   3
constraint    49 gln       h        71 leu    hd22       3.874  0.000   2
constraint    49 gln       h        71 leu    hd21       3.874  0.000   1
constraint     9 phe     hd1        56 leu    hd13       3.327  0.000  12
constraint     9 phe     hd1        56 leu    hd12       3.327  0.000  11
constraint     9 phe     hd1        56 leu    hd11       3.327  0.000  10
constraint     9 phe     hd1        56 leu    hd23       3.327  0.000   9
constraint     9 phe     hd1        56 leu    hd22       3.327  0.000   8
constraint     9 phe     hd1        56 leu    hd21       3.327  0.000   7
constraint     9 phe     hd2        56 leu    hd13       3.327  0.000   6
constraint     9 phe     hd2        56 leu    hd12       3.327  0.000   5
constraint     9 phe     hd2        56 leu    hd11       3.327  0.000   4
constraint     9 phe     hd2        56 leu    hd23       3.327  0.000   3
constraint     9 phe     hd2        56 leu    hd22       3.327  0.000   2
constraint     9 phe     hd2        56 leu    hd21       3.327  0.000   1
constraint     9 phe     hd1        67 ile     hd3       3.992  0.000   6
constraint     9 phe     hd1        67 ile     hd2       3.992  0.000   5
constraint     9 phe     hd1        67 ile     hd1       3.992  0.000   4
constraint     9 phe     hd2        67 ile     hd3       3.992  0.000   3
constraint     9 phe     hd2        67 ile     hd2       3.992  0.000   2
constraint     9 phe     hd2        67 ile     hd1       3.992  0.000   1
constraint     9 phe     he1        39 phe       h       5.000  0.000   2
constraint     9 phe     he2        39 phe       h       5.000  0.000   1
constraint     9 phe     he1        39 phe      ha       5.500  0.000   4
constraint     9 phe     he1        40 pro      ha       5.500  0.000   3
constraint     9 phe     he2        39 phe      ha       5.500  0.000   2
constraint     9 phe     he2        40 pro      ha       5.500  0.000   1
constraint     9 phe     he1        39 phe     hb1       3.734  0.000   8
constraint     9 phe     he1        39 phe     hb2       3.734  0.000   7
constraint     9 phe     he2        39 phe     hb1       3.734  0.000   6
constraint     9 phe     he2        39 phe     hb2       3.734  0.000   5
constraint    24 arg     hd1        24 arg    hh21       3.734  0.000   4
constraint    24 arg     hd1        24 arg    hh22       3.734  0.000   3
constraint    24 arg     hd2        24 arg    hh21       3.734  0.000   2
constraint    24 arg     hd2        24 arg    hh22       3.734  0.000   1
constraint     9 phe     he1        39 phe     hb1       3.439  0.000   8
constraint     9 phe     he1        39 phe     hb2       3.439  0.000   7
constraint     9 phe     he2        39 phe     hb1       3.439  0.000   6
constraint     9 phe     he2        39 phe     hb2       3.439  0.000   5
constraint    49 gln     hg1        49 gln    he21       3.439  0.000   4
constraint    49 gln     hg1        49 gln    he22       3.439  0.000   3
constraint    49 gln     hg2        49 gln    he21       3.439  0.000   2
constraint    49 gln     hg2        49 gln    he22       3.439  0.000   1
constraint     9 phe     he1        39 phe     hd1       3.439  0.000   4
constraint     9 phe     he1        39 phe     hd2       3.439  0.000   3
constraint     9 phe     he2        39 phe     hd1       3.439  0.000   2
constraint     9 phe     he2        39 phe     hd2       3.439  0.000   1
constraint     9 phe     he1        39 phe     he1       4.534  0.000   4
constraint     9 phe     he1        39 phe     he2       4.534  0.000   3
constraint     9 phe     he2        39 phe     he1       4.534  0.000   2
constraint     9 phe     he2        39 phe     he2       4.534  0.000   1
constraint     9 phe     he1        40 pro     hd1       5.000  0.000   6
constraint     9 phe     he1        40 pro     hd2       5.000  0.000   5
constraint     9 phe     he2        40 pro     hd1       5.000  0.000   4
constraint     9 phe     he2        40 pro     hd2       5.000  0.000   3
constraint    24 arg      ha        24 arg    hh21       5.000  0.000   2
constraint    24 arg      ha        24 arg    hh22       5.000  0.000   1
constraint     9 phe     he1        40 pro     hd1       5.000  0.000   6
constraint     9 phe     he1        40 pro     hd2       5.000  0.000   5
constraint     9 phe     he2        40 pro     hd1       5.000  0.000   4
constraint     9 phe     he2        40 pro     hd2       5.000  0.000   3
constraint    49 gln      ha        49 gln    he21       5.000  0.000   2
constraint    49 gln      ha        49 gln    he22       5.000  0.000   1
constraint     9 phe     he1        41 glu      ha       4.401  0.000   8
constraint     9 phe     he2        41 glu      ha       4.401  0.000   7
constraint    21 ser      ha        24 arg    hh21       4.401  0.000   6
constraint    21 ser      ha        24 arg    hh22       4.401  0.000   5
constraint    21 ser     hb1        24 arg    hh21       4.401  0.000   4
constraint    21 ser     hb1        24 arg    hh22       4.401  0.000   3
constraint    21 ser     hb2        24 arg    hh21       4.401  0.000   2
constraint    21 ser     hb2        24 arg    hh22       4.401  0.000   1
constraint     9 phe     he1        43 leu       h       4.773  0.000   2
constraint     9 phe     he2        43 leu       h       4.773  0.000   1
constraint     9 phe     he1        43 leu      ha       5.000  0.000   2
constraint     9 phe     he2        43 leu      ha       5.000  0.000   1
constraint     9 phe     he1        43 leu     hb1       4.008  0.000   6
constraint     9 phe     he1        43 leu     hb2       4.008  0.000   5
constraint     9 phe     he2        43 leu     hb1       4.008  0.000   4
constraint     9 phe     he2        43 leu     hb2       4.008  0.000   3
constraint    24 arg     hg2        24 arg    hh21       4.008  0.000   2
constraint    24 arg     hg2        24 arg    hh22       4.008  0.000   1
constraint     9 phe     he1        43 leu     hb1       3.849  0.000   4
constraint     9 phe     he1        43 leu     hb2       3.849  0.000   3
constraint     9 phe     he2        43 leu     hb1       3.849  0.000   2
constraint     9 phe     he2        43 leu     hb2       3.849  0.000   1
constraint     9 phe     he1        44 ala      ha       3.249  0.000   2
constraint     9 phe     he2        44 ala      ha       3.249  0.000   1
constraint     9 phe     he1        44 ala     hb3       3.828  0.000   6
constraint     9 phe     he1        44 ala     hb2       3.828  0.000   5
constraint     9 phe     he1        44 ala     hb1       3.828  0.000   4
constraint     9 phe     he2        44 ala     hb3       3.828  0.000   3
constraint     9 phe     he2        44 ala     hb2       3.828  0.000   2
constraint     9 phe     he2        44 ala     hb1       3.828  0.000   1
constraint     9 phe     he1        45 gly     ha1       6.000  0.000   8
constraint     9 phe     he1        45 gly     ha2       6.000  0.000   7
constraint     9 phe     he2        45 gly     ha1       6.000  0.000   6
constraint     9 phe     he2        45 gly     ha2       6.000  0.000   5
constraint    45 gly     ha1        49 gln    he21       6.000  0.000   4
constraint    45 gly     ha1        49 gln    he22       6.000  0.000   3
constraint    45 gly     ha2        49 gln    he21       6.000  0.000   2
constraint    45 gly     ha2        49 gln    he22       6.000  0.000   1
constraint     9 phe     he1        46 glu     hg1       5.000  0.000  12
constraint     9 phe     he1        46 glu     hg2       5.000  0.000  11
constraint     9 phe     he2        46 glu     hg1       5.000  0.000  10
constraint     9 phe     he2        46 glu     hg2       5.000  0.000   9
constraint    46 glu     hb1        49 gln    he21       5.000  0.000   8
constraint    46 glu     hb1        49 gln    he22       5.000  0.000   7
constraint    46 glu     hb2        49 gln    he21       5.000  0.000   6
constraint    46 glu     hb2        49 gln    he22       5.000  0.000   5
constraint    46 glu     hg1        49 gln    he21       5.000  0.000   4
constraint    46 glu     hg1        49 gln    he22       5.000  0.000   3
constraint    46 glu     hg2        49 gln    he21       5.000  0.000   2
constraint    46 glu     hg2        49 gln    he22       5.000  0.000   1
constraint     9 phe     he1        47 lys       h       4.347  0.000   2
constraint     9 phe     he2        47 lys       h       4.347  0.000   1
constraint     9 phe     he1        47 lys     hb1       3.578  0.000  10
constraint     9 phe     he1        47 lys     hb2       3.578  0.000   9
constraint     9 phe     he1        51 ala     hb3       3.578  0.000   8
constraint     9 phe     he1        51 ala     hb2       3.578  0.000   7
constraint     9 phe     he1        51 ala     hb1       3.578  0.000   6
constraint     9 phe     he2        47 lys     hb1       3.578  0.000   5
constraint     9 phe     he2        47 lys     hb2       3.578  0.000   4
constraint     9 phe     he2        51 ala     hb3       3.578  0.000   3
constraint     9 phe     he2        51 ala     hb2       3.578  0.000   2
constraint     9 phe     he2        51 ala     hb1       3.578  0.000   1
constraint     9 phe     he1        47 lys     hb1       3.574  0.000   4
constraint     9 phe     he1        47 lys     hb2       3.574  0.000   3
constraint     9 phe     he2        47 lys     hb1       3.574  0.000   2
constraint     9 phe     he2        47 lys     hb2       3.574  0.000   1
constraint     9 phe     he1        47 lys     hg1       4.463  0.000   4
constraint     9 phe     he1        47 lys     hg2       4.463  0.000   3
constraint     9 phe     he2        47 lys     hg1       4.463  0.000   2
constraint     9 phe     he2        47 lys     hg2       4.463  0.000   1
constraint     9 phe     he1        48 gly     ha1       3.834  0.000   4
constraint     9 phe     he1        48 gly     ha2       3.834  0.000   3
constraint     9 phe     he2        48 gly     ha1       3.834  0.000   2
constraint     9 phe     he2        48 gly     ha2       3.834  0.000   1
constraint     9 phe     he1        48 gly     ha1       4.351  0.000   2
constraint     9 phe     he2        48 gly     ha1       4.351  0.000   1
constraint     9 phe     he1        48 gly     ha2       4.351  0.000   2
constraint     9 phe     he2        48 gly     ha2       4.351  0.000   1
constraint     9 phe     he1        54 val      ha       5.000  0.000   2
constraint     9 phe     he2        54 val      ha       5.000  0.000   1
constraint     9 phe     he1        54 val      hb       4.882  0.000   6
constraint     9 phe     he2        54 val      hb       4.882  0.000   5
constraint    46 glu     hg1        49 gln    he21       4.882  0.000   4
constraint    46 glu     hg1        49 gln    he22       4.882  0.000   3
constraint    46 glu     hg2        49 gln    he21       4.882  0.000   2
constraint    46 glu     hg2        49 gln    he22       4.882  0.000   1
constraint     9 phe     he1        54 val    hg13       2.927  0.000  12
constraint     9 phe     he1        54 val    hg12       2.927  0.000  11
constraint     9 phe     he1        54 val    hg11       2.927  0.000  10
constraint     9 phe     he1        54 val    hg23       2.927  0.000   9
constraint     9 phe     he1        54 val    hg22       2.927  0.000   8
constraint     9 phe     he1        54 val    hg21       2.927  0.000   7
constraint     9 phe     he2        54 val    hg13       2.927  0.000   6
constraint     9 phe     he2        54 val    hg12       2.927  0.000   5
constraint     9 phe     he2        54 val    hg11       2.927  0.000   4
constraint     9 phe     he2        54 val    hg23       2.927  0.000   3
constraint     9 phe     he2        54 val    hg22       2.927  0.000   2
constraint     9 phe     he2        54 val    hg21       2.927  0.000   1
constraint     9 phe     he1        54 val    hg13       3.465  0.000   6
constraint     9 phe     he1        54 val    hg12       3.465  0.000   5
constraint     9 phe     he1        54 val    hg11       3.465  0.000   4
constraint     9 phe     he2        54 val    hg13       3.465  0.000   3
constraint     9 phe     he2        54 val    hg12       3.465  0.000   2
constraint     9 phe     he2        54 val    hg11       3.465  0.000   1
constraint     9 phe     he1        54 val    hg23       3.465  0.000   6
constraint     9 phe     he1        54 val    hg22       3.465  0.000   5
constraint     9 phe     he1        54 val    hg21       3.465  0.000   4
constraint     9 phe     he2        54 val    hg23       3.465  0.000   3
constraint     9 phe     he2        54 val    hg22       3.465  0.000   2
constraint     9 phe     he2        54 val    hg21       3.465  0.000   1
constraint     9 phe     he1        55 leu       h       5.000  0.000   2
constraint     9 phe     he2        55 leu       h       5.000  0.000   1
constraint     9 phe     he1        56 leu    hd13       4.895  0.000  42
constraint     9 phe     he1        56 leu    hd12       4.895  0.000  41
constraint     9 phe     he1        56 leu    hd11       4.895  0.000  40
constraint     9 phe     he1        56 leu    hd23       4.895  0.000  39
constraint     9 phe     he1        56 leu    hd22       4.895  0.000  38
constraint     9 phe     he1        56 leu    hd21       4.895  0.000  37
constraint     9 phe     he1        76 val    hg13       4.895  0.000  36
constraint     9 phe     he1        76 val    hg12       4.895  0.000  35
constraint     9 phe     he1        76 val    hg11       4.895  0.000  34
constraint     9 phe     he1        76 val    hg23       4.895  0.000  33
constraint     9 phe     he1        76 val    hg22       4.895  0.000  32
constraint     9 phe     he1        76 val    hg21       4.895  0.000  31
constraint     9 phe     he2        56 leu    hd13       4.895  0.000  30
constraint     9 phe     he2        56 leu    hd12       4.895  0.000  29
constraint     9 phe     he2        56 leu    hd11       4.895  0.000  28
constraint     9 phe     he2        56 leu    hd23       4.895  0.000  27
constraint     9 phe     he2        56 leu    hd22       4.895  0.000  26
constraint     9 phe     he2        56 leu    hd21       4.895  0.000  25
constraint     9 phe     he2        76 val    hg13       4.895  0.000  24
constraint     9 phe     he2        76 val    hg12       4.895  0.000  23
constraint     9 phe     he2        76 val    hg11       4.895  0.000  22
constraint     9 phe     he2        76 val    hg23       4.895  0.000  21
constraint     9 phe     he2        76 val    hg22       4.895  0.000  20
constraint     9 phe     he2        76 val    hg21       4.895  0.000  19
constraint    24 arg    hh21        36 ile     hd3       4.895  0.000  18
constraint    24 arg    hh21        36 ile     hd2       4.895  0.000  17
constraint    24 arg    hh21        36 ile     hd1       4.895  0.000  16
constraint    24 arg    hh22        36 ile     hd3       4.895  0.000  15
constraint    24 arg    hh22        36 ile     hd2       4.895  0.000  14
constraint    24 arg    hh22        36 ile     hd1       4.895  0.000  13
constraint    49 gln    he21        70 leu    hd13       4.895  0.000  12
constraint    49 gln    he21        70 leu    hd12       4.895  0.000  11
constraint    49 gln    he21        70 leu    hd11       4.895  0.000  10
constraint    49 gln    he21        70 leu    hd23       4.895  0.000   9
constraint    49 gln    he21        70 leu    hd22       4.895  0.000   8
constraint    49 gln    he21        70 leu    hd21       4.895  0.000   7
constraint    49 gln    he22        70 leu    hd13       4.895  0.000   6
constraint    49 gln    he22        70 leu    hd12       4.895  0.000   5
constraint    49 gln    he22        70 leu    hd11       4.895  0.000   4
constraint    49 gln    he22        70 leu    hd23       4.895  0.000   3
constraint    49 gln    he22        70 leu    hd22       4.895  0.000   2
constraint    49 gln    he22        70 leu    hd21       4.895  0.000   1
constraint     9 phe     he1        67 ile     hd3       5.000  0.000   6
constraint     9 phe     he1        67 ile     hd2       5.000  0.000   5
constraint     9 phe     he1        67 ile     hd1       5.000  0.000   4
constraint     9 phe     he2        67 ile     hd3       5.000  0.000   3
constraint     9 phe     he2        67 ile     hd2       5.000  0.000   2
constraint     9 phe     he2        67 ile     hd1       5.000  0.000   1
constraint     9 phe     he1        71 leu    hd13       4.100  0.000  36
constraint     9 phe     he1        71 leu    hd12       4.100  0.000  35
constraint     9 phe     he1        71 leu    hd11       4.100  0.000  34
constraint     9 phe     he1        71 leu    hd23       4.100  0.000  33
constraint     9 phe     he1        71 leu    hd22       4.100  0.000  32
constraint     9 phe     he1        71 leu    hd21       4.100  0.000  31
constraint     9 phe     he1        76 val    hg13       4.100  0.000  30
constraint     9 phe     he1        76 val    hg12       4.100  0.000  29
constraint     9 phe     he1        76 val    hg11       4.100  0.000  28
constraint     9 phe     he1        76 val    hg23       4.100  0.000  27
constraint     9 phe     he1        76 val    hg22       4.100  0.000  26
constraint     9 phe     he1        76 val    hg21       4.100  0.000  25
constraint     9 phe     he2        71 leu    hd13       4.100  0.000  24
constraint     9 phe     he2        71 leu    hd12       4.100  0.000  23
constraint     9 phe     he2        71 leu    hd11       4.100  0.000  22
constraint     9 phe     he2        71 leu    hd23       4.100  0.000  21
constraint     9 phe     he2        71 leu    hd22       4.100  0.000  20
constraint     9 phe     he2        71 leu    hd21       4.100  0.000  19
constraint     9 phe     he2        76 val    hg13       4.100  0.000  18
constraint     9 phe     he2        76 val    hg12       4.100  0.000  17
constraint     9 phe     he2        76 val    hg11       4.100  0.000  16
constraint     9 phe     he2        76 val    hg23       4.100  0.000  15
constraint     9 phe     he2        76 val    hg22       4.100  0.000  14
constraint     9 phe     he2        76 val    hg21       4.100  0.000  13
constraint    49 gln    he21        71 leu    hd13       4.100  0.000  12
constraint    49 gln    he21        71 leu    hd12       4.100  0.000  11
constraint    49 gln    he21        71 leu    hd11       4.100  0.000  10
constraint    49 gln    he21        71 leu    hd23       4.100  0.000   9
constraint    49 gln    he21        71 leu    hd22       4.100  0.000   8
constraint    49 gln    he21        71 leu    hd21       4.100  0.000   7
constraint    49 gln    he22        71 leu    hd13       4.100  0.000   6
constraint    49 gln    he22        71 leu    hd12       4.100  0.000   5
constraint    49 gln    he22        71 leu    hd11       4.100  0.000   4
constraint    49 gln    he22        71 leu    hd23       4.100  0.000   3
constraint    49 gln    he22        71 leu    hd22       4.100  0.000   2
constraint    49 gln    he22        71 leu    hd21       4.100  0.000   1
constraint     9 phe     he1        71 leu    hd13       4.360  0.000  30
constraint     9 phe     he1        71 leu    hd12       4.360  0.000  29
constraint     9 phe     he1        71 leu    hd11       4.360  0.000  28
constraint     9 phe     he1        71 leu    hd23       4.360  0.000  27
constraint     9 phe     he1        71 leu    hd22       4.360  0.000  26
constraint     9 phe     he1        71 leu    hd21       4.360  0.000  25
constraint     9 phe     he2        71 leu    hd13       4.360  0.000  24
constraint     9 phe     he2        71 leu    hd12       4.360  0.000  23
constraint     9 phe     he2        71 leu    hd11       4.360  0.000  22
constraint     9 phe     he2        71 leu    hd23       4.360  0.000  21
constraint     9 phe     he2        71 leu    hd22       4.360  0.000  20
constraint     9 phe     he2        71 leu    hd21       4.360  0.000  19
constraint    24 arg    hh21        35 ile     hd3       4.360  0.000  18
constraint    24 arg    hh21        35 ile     hd2       4.360  0.000  17
constraint    24 arg    hh21        35 ile     hd1       4.360  0.000  16
constraint    24 arg    hh22        35 ile     hd3       4.360  0.000  15
constraint    24 arg    hh22        35 ile     hd2       4.360  0.000  14
constraint    24 arg    hh22        35 ile     hd1       4.360  0.000  13
constraint    49 gln    he21        71 leu    hd13       4.360  0.000  12
constraint    49 gln    he21        71 leu    hd12       4.360  0.000  11
constraint    49 gln    he21        71 leu    hd11       4.360  0.000  10
constraint    49 gln    he21        71 leu    hd23       4.360  0.000   9
constraint    49 gln    he21        71 leu    hd22       4.360  0.000   8
constraint    49 gln    he21        71 leu    hd21       4.360  0.000   7
constraint    49 gln    he22        71 leu    hd13       4.360  0.000   6
constraint    49 gln    he22        71 leu    hd12       4.360  0.000   5
constraint    49 gln    he22        71 leu    hd11       4.360  0.000   4
constraint    49 gln    he22        71 leu    hd23       4.360  0.000   3
constraint    49 gln    he22        71 leu    hd22       4.360  0.000   2
constraint    49 gln    he22        71 leu    hd21       4.360  0.000   1
constraint     9 phe      hz        39 phe     hb1       4.987  0.000   2
constraint     9 phe      hz        39 phe     hb2       4.987  0.000   1
constraint     9 phe      hz        39 phe     hd1       4.171  0.000   3
constraint     9 phe      hz        39 phe     hd2       4.171  0.000   2
constraint     9 phe      hz        39 phe      hz       4.171  0.000   1
constraint     9 phe      hz        39 phe     he1       4.836  0.000   2
constraint     9 phe      hz        39 phe     he2       4.836  0.000   1
constraint     9 phe      hz        43 leu     hb1       5.000  0.000   2
constraint     9 phe      hz        43 leu     hb2       5.000  0.000   1
constraint     9 phe      hz        44 ala       h       5.000  0.000   1
constraint     9 phe      hz        44 ala      ha       3.560  0.000   1
constraint     9 phe      hz        44 ala     hb3       4.361  0.000   3
constraint     9 phe      hz        44 ala     hb2       4.361  0.000   2
constraint     9 phe      hz        44 ala     hb1       4.361  0.000   1
constraint     9 phe      hz        47 lys       h       4.566  0.000   1
constraint     9 phe      hz        47 lys      ha       4.637  0.000   1
constraint     9 phe      hz        47 lys     hb1       3.250  0.000   2
constraint     9 phe      hz        47 lys     hb2       3.250  0.000   1
constraint     9 phe      hz        47 lys     hb1       3.651  0.000   1
constraint     9 phe      hz        47 lys     hb2       3.651  0.000   1
constraint     9 phe      hz        47 lys     hg1       4.168  0.000   2
constraint     9 phe      hz        47 lys     hg2       4.168  0.000   1
constraint     9 phe      hz        47 lys     hg1       4.835  0.000   1
constraint     9 phe      hz        47 lys     hg2       4.835  0.000   1
constraint     9 phe      hz        48 gly       h       3.939  0.000   1
constraint     9 phe      hz        48 gly     ha1       3.586  0.000   2
constraint     9 phe      hz        48 gly     ha2       3.586  0.000   1
constraint     9 phe      hz        48 gly     ha1       4.129  0.000   1
constraint     9 phe      hz        48 gly     ha2       4.129  0.000   1
constraint     9 phe      hz        54 val    hg13       4.118  0.000   6
constraint     9 phe      hz        54 val    hg12       4.118  0.000   5
constraint     9 phe      hz        54 val    hg11       4.118  0.000   4
constraint     9 phe      hz        54 val    hg23       4.118  0.000   3
constraint     9 phe      hz        54 val    hg22       4.118  0.000   2
constraint     9 phe      hz        54 val    hg21       4.118  0.000   1
constraint     9 phe      hz        54 val    hg13       4.821  0.000   3
constraint     9 phe      hz        54 val    hg12       4.821  0.000   2
constraint     9 phe      hz        54 val    hg11       4.821  0.000   1
constraint     9 phe      hz        54 val    hg23       4.821  0.000   3
constraint     9 phe      hz        54 val    hg22       4.821  0.000   2
constraint     9 phe      hz        54 val    hg21       4.821  0.000   1
constraint     9 phe      hz        71 leu    hd13       4.842  0.000   6
constraint     9 phe      hz        71 leu    hd12       4.842  0.000   5
constraint     9 phe      hz        71 leu    hd11       4.842  0.000   4
constraint     9 phe      hz        71 leu    hd23       4.842  0.000   3
constraint     9 phe      hz        71 leu    hd22       4.842  0.000   2
constraint     9 phe      hz        71 leu    hd21       4.842  0.000   1
constraint    10 ser       h        10 ser     hb1       3.535  0.000   2
constraint    10 ser       h        10 ser     hb2       3.535  0.000   1
constraint    10 ser       h        10 ser     hb1       4.028  0.000   1
constraint    10 ser       h        10 ser     hb2       4.028  0.000   1
constraint    10 ser       h        16 thr    hg23       4.907  0.000   5
constraint    10 ser       h        16 thr    hg22       4.907  0.000   4
constraint    10 ser       h        16 thr    hg21       4.907  0.000   3
constraint    47 lys       h        47 lys     hd1       4.907  0.000   2
constraint    47 lys       h        47 lys     hd2       4.907  0.000   1
constraint    10 ser       h        38 ala      ha       7.000  0.000   1
constraint    10 ser       h        39 phe       h       4.296  0.000   1
constraint    10 ser       h        39 phe     hb1       5.000  0.000   4
constraint    10 ser       h        39 phe     hb2       5.000  0.000   3
constraint    39 phe     hb1        47 lys       h       5.000  0.000   2
constraint    39 phe     hb2        47 lys       h       5.000  0.000   1
constraint    10 ser       h        39 phe     hb1       7.000  0.000   4
constraint    10 ser       h        39 phe     hb2       7.000  0.000   3
constraint    39 phe     hb1        47 lys       h       7.000  0.000   2
constraint    39 phe     hb2        47 lys       h       7.000  0.000   1
constraint    10 ser       h        39 phe     hd1       5.000  0.000   5
constraint    10 ser       h        39 phe     hd2       5.000  0.000   4
constraint    39 phe     hd1        47 lys       h       5.000  0.000   3
constraint    39 phe     hd2        47 lys       h       5.000  0.000   2
constraint    39 phe      hz        47 lys       h       5.000  0.000   1
constraint    10 ser       h        39 phe     hd1       5.000  0.000   4
constraint    10 ser       h        39 phe     hd2       5.000  0.000   3
constraint    39 phe     hd1        47 lys       h       5.000  0.000   2
constraint    39 phe     hd2        47 lys       h       5.000  0.000   1
constraint    10 ser       h        40 pro      ha       4.321  0.000   1
constraint    10 ser       h        41 glu       h       4.700  0.000   1
constraint    10 ser       h        84 tyr     he1       5.000  0.000   6
constraint    10 ser       h        84 tyr     he2       5.000  0.000   5
constraint    57 gly       h        84 tyr     he1       5.000  0.000   4
constraint    57 gly       h        84 tyr     he2       5.000  0.000   3
constraint    82 leu       h        84 tyr     he1       5.000  0.000   2
constraint    82 leu       h        84 tyr     he2       5.000  0.000   1
constraint    10 ser      ha        10 ser     hb1       3.324  0.000   2
constraint    10 ser      ha        10 ser     hb2       3.324  0.000   1
constraint    10 ser      ha        10 ser     hb1       3.866  0.000   1
constraint    10 ser      ha        10 ser     hb2       3.866  0.000   1
constraint    10 ser      ha        11 ser       h       3.515  0.000   1
constraint    10 ser      ha        11 ser      ha       6.000  0.000   3
constraint    10 ser      ha        39 phe      ha       6.000  0.000   2
constraint    10 ser      ha        40 pro      ha       6.000  0.000   1
constraint    10 ser      ha        11 ser     hb1       5.000  0.000   4
constraint    10 ser      ha        11 ser     hb2       5.000  0.000   3
constraint    10 ser      ha        57 gly     ha1       5.000  0.000   2
constraint    10 ser      ha        57 gly     ha2       5.000  0.000   1
constraint    10 ser      ha        12 ala       h       4.762  0.000   1
constraint    10 ser      ha        16 thr    hg23       6.000  0.000   3
constraint    10 ser      ha        16 thr    hg22       6.000  0.000   2
constraint    10 ser      ha        16 thr    hg21       6.000  0.000   1
constraint    10 ser      ha        41 glu       h       5.000  0.000   1
constraint    10 ser      ha        56 leu      ha       6.000  0.000   1
constraint    10 ser      ha        60 ile    hg23       2.871  0.000  24
constraint    10 ser      ha        60 ile    hg22       2.871  0.000  23
constraint    10 ser      ha        60 ile    hg21       2.871  0.000  22
constraint    10 ser      ha        60 ile     hd3       2.871  0.000  21
constraint    10 ser      ha        60 ile     hd2       2.871  0.000  20
constraint    10 ser      ha        60 ile     hd1       2.871  0.000  19
constraint    60 ile      ha        60 ile    hg23       2.871  0.000  18
constraint    60 ile      ha        60 ile    hg22       2.871  0.000  17
constraint    60 ile      ha        60 ile    hg21       2.871  0.000  16
constraint    60 ile      ha        60 ile     hd3       2.871  0.000  15
constraint    60 ile      ha        60 ile     hd2       2.871  0.000  14
constraint    60 ile      ha        60 ile     hd1       2.871  0.000  13
constraint    83 leu    hd13        88 asp      ha       2.871  0.000  12
constraint    83 leu    hd12        88 asp      ha       2.871  0.000  11
constraint    83 leu    hd11        88 asp      ha       2.871  0.000  10
constraint    83 leu    hd23        88 asp      ha       2.871  0.000   9
constraint    83 leu    hd22        88 asp      ha       2.871  0.000   8
constraint    83 leu    hd21        88 asp      ha       2.871  0.000   7
constraint    88 asp      ha        90 leu    hd13       2.871  0.000   6
constraint    88 asp      ha        90 leu    hd12       2.871  0.000   5
constraint    88 asp      ha        90 leu    hd11       2.871  0.000   4
constraint    88 asp      ha        90 leu    hd23       2.871  0.000   3
constraint    88 asp      ha        90 leu    hd22       2.871  0.000   2
constraint    88 asp      ha        90 leu    hd21       2.871  0.000   1
constraint    10 ser     hb1        11 ser       h       4.669  0.000   2
constraint    10 ser     hb2        11 ser       h       4.669  0.000   1
constraint    10 ser     hb1        16 thr    hg23       3.929  0.000  12
constraint    10 ser     hb1        16 thr    hg22       3.929  0.000  11
constraint    10 ser     hb1        16 thr    hg21       3.929  0.000  10
constraint    10 ser     hb2        16 thr    hg23       3.929  0.000   9
constraint    10 ser     hb2        16 thr    hg22       3.929  0.000   8
constraint    10 ser     hb2        16 thr    hg21       3.929  0.000   7
constraint    11 ser     hb1        16 thr    hg23       3.929  0.000   6
constraint    11 ser     hb1        16 thr    hg22       3.929  0.000   5
constraint    11 ser     hb1        16 thr    hg21       3.929  0.000   4
constraint    11 ser     hb2        16 thr    hg23       3.929  0.000   3
constraint    11 ser     hb2        16 thr    hg22       3.929  0.000   2
constraint    11 ser     hb2        16 thr    hg21       3.929  0.000   1
constraint    10 ser     hb1        16 thr    hg23       3.482  0.000   6
constraint    10 ser     hb1        16 thr    hg22       3.482  0.000   5
constraint    10 ser     hb1        16 thr    hg21       3.482  0.000   4
constraint    10 ser     hb2        16 thr    hg23       3.482  0.000   3
constraint    10 ser     hb2        16 thr    hg22       3.482  0.000   2
constraint    10 ser     hb2        16 thr    hg21       3.482  0.000   1
constraint    10 ser     hb1        41 glu       h       5.000  0.000   4
constraint    10 ser     hb2        41 glu       h       5.000  0.000   3
constraint    11 ser     hb1        41 glu       h       5.000  0.000   2
constraint    11 ser     hb2        41 glu       h       5.000  0.000   1
constraint    10 ser     hb1        56 leu      ha       5.000  0.000   4
constraint    10 ser     hb2        56 leu      ha       5.000  0.000   3
constraint    11 ser     hb1        56 leu      ha       5.000  0.000   2
constraint    11 ser     hb2        56 leu      ha       5.000  0.000   1
constraint    10 ser     hb1        59 gln    he21       5.000  0.000   8
constraint    10 ser     hb1        59 gln    he22       5.000  0.000   7
constraint    10 ser     hb2        59 gln    he21       5.000  0.000   6
constraint    10 ser     hb2        59 gln    he22       5.000  0.000   5
constraint    11 ser     hb1        59 gln    he21       5.000  0.000   4
constraint    11 ser     hb1        59 gln    he22       5.000  0.000   3
constraint    11 ser     hb2        59 gln    he21       5.000  0.000   2
constraint    11 ser     hb2        59 gln    he22       5.000  0.000   1
constraint    10 ser     hb1        60 ile    hg11       3.985  0.000  20
constraint    10 ser     hb1        60 ile    hg12       3.985  0.000  19
constraint    10 ser     hb2        60 ile    hg11       3.985  0.000  18
constraint    10 ser     hb2        60 ile    hg12       3.985  0.000  17
constraint    11 ser     hb1        60 ile    hg11       3.985  0.000  16
constraint    11 ser     hb1        60 ile    hg12       3.985  0.000  15
constraint    11 ser     hb2        60 ile    hg11       3.985  0.000  14
constraint    11 ser     hb2        60 ile    hg12       3.985  0.000  13
constraint    32 val    hg13        33 pro     hd1       3.985  0.000  12
constraint    32 val    hg12        33 pro     hd1       3.985  0.000  11
constraint    32 val    hg11        33 pro     hd1       3.985  0.000  10
constraint    32 val    hg13        33 pro     hd2       3.985  0.000   9
constraint    32 val    hg12        33 pro     hd2       3.985  0.000   8
constraint    32 val    hg11        33 pro     hd2       3.985  0.000   7
constraint    32 val    hg23        33 pro     hd1       3.985  0.000   6
constraint    32 val    hg22        33 pro     hd1       3.985  0.000   5
constraint    32 val    hg21        33 pro     hd1       3.985  0.000   4
constraint    32 val    hg23        33 pro     hd2       3.985  0.000   3
constraint    32 val    hg22        33 pro     hd2       3.985  0.000   2
constraint    32 val    hg21        33 pro     hd2       3.985  0.000   1
constraint    10 ser     hb1        67 ile     hd3       8.000  0.000  15
constraint    10 ser     hb1        67 ile     hd2       8.000  0.000  14
constraint    10 ser     hb1        67 ile     hd1       8.000  0.000  13
constraint    10 ser     hb2        67 ile     hd3       8.000  0.000  12
constraint    10 ser     hb2        67 ile     hd2       8.000  0.000  11
constraint    10 ser     hb2        67 ile     hd1       8.000  0.000  10
constraint    48 gly     ha1        67 ile     hd3       8.000  0.000   9
constraint    48 gly     ha1        67 ile     hd2       8.000  0.000   8
constraint    48 gly     ha1        67 ile     hd1       8.000  0.000   7
constraint    48 gly     ha2        67 ile     hd3       8.000  0.000   6
constraint    48 gly     ha2        67 ile     hd2       8.000  0.000   5
constraint    48 gly     ha2        67 ile     hd1       8.000  0.000   4
constraint    67 ile     hd3        70 leu      ha       8.000  0.000   3
constraint    67 ile     hd2        70 leu      ha       8.000  0.000   2
constraint    67 ile     hd1        70 leu      ha       8.000  0.000   1
constraint    10 ser     hb1        84 tyr     he1       5.000  0.000  12
constraint    10 ser     hb1        84 tyr     he2       5.000  0.000  11
constraint    10 ser     hb2        84 tyr     he1       5.000  0.000  10
constraint    10 ser     hb2        84 tyr     he2       5.000  0.000   9
constraint    11 ser     hb1        84 tyr     he1       5.000  0.000   8
constraint    11 ser     hb1        84 tyr     he2       5.000  0.000   7
constraint    11 ser     hb2        84 tyr     he1       5.000  0.000   6
constraint    11 ser     hb2        84 tyr     he2       5.000  0.000   5
constraint    84 tyr     he1        85 gly     ha1       5.000  0.000   4
constraint    84 tyr     he1        85 gly     ha2       5.000  0.000   3
constraint    84 tyr     he2        85 gly     ha1       5.000  0.000   2
constraint    84 tyr     he2        85 gly     ha2       5.000  0.000   1
constraint    10 ser     hb1        84 tyr     he1       7.000  0.000   4
constraint    10 ser     hb1        84 tyr     he2       7.000  0.000   3
constraint    10 ser     hb2        84 tyr     he1       7.000  0.000   2
constraint    10 ser     hb2        84 tyr     he2       7.000  0.000   1
constraint    11 ser       h        12 ala       h       4.040  0.000   1
constraint    11 ser       h        59 gln     hg1       7.000  0.000   4
constraint    59 gln     hg1        85 gly       h       7.000  0.000   3
constraint    80 asp     hb1        85 gly       h       7.000  0.000   2
constraint    80 asp     hb2        85 gly       h       7.000  0.000   1
constraint    11 ser       h        60 ile    hg23       2.917  0.000  18
constraint    11 ser       h        60 ile    hg22       2.917  0.000  17
constraint    11 ser       h        60 ile    hg21       2.917  0.000  16
constraint    11 ser       h        60 ile     hd3       2.917  0.000  15
constraint    11 ser       h        60 ile     hd2       2.917  0.000  14
constraint    11 ser       h        60 ile     hd1       2.917  0.000  13
constraint    53 val    hg13        54 val       h       2.917  0.000  12
constraint    53 val    hg12        54 val       h       2.917  0.000  11
constraint    53 val    hg11        54 val       h       2.917  0.000  10
constraint    53 val    hg23        54 val       h       2.917  0.000   9
constraint    53 val    hg22        54 val       h       2.917  0.000   8
constraint    53 val    hg21        54 val       h       2.917  0.000   7
constraint    54 val       h        54 val    hg13       2.917  0.000   6
constraint    54 val       h        54 val    hg12       2.917  0.000   5
constraint    54 val       h        54 val    hg11       2.917  0.000   4
constraint    54 val       h        54 val    hg23       2.917  0.000   3
constraint    54 val       h        54 val    hg22       2.917  0.000   2
constraint    54 val       h        54 val    hg21       2.917  0.000   1
constraint    11 ser       h        84 tyr     he1       5.000  0.000   4
constraint    11 ser       h        84 tyr     he2       5.000  0.000   3
constraint    84 tyr     he1        85 gly       h       5.000  0.000   2
constraint    84 tyr     he2        85 gly       h       5.000  0.000   1
constraint    11 ser      ha        11 ser     hb1       3.399  0.000   6
constraint    11 ser      ha        11 ser     hb2       3.399  0.000   5
constraint    39 phe      ha        40 pro     hd1       3.399  0.000   4
constraint    39 phe      ha        40 pro     hd2       3.399  0.000   3
constraint    40 pro      ha        40 pro     hd1       3.399  0.000   2
constraint    40 pro      ha        40 pro     hd2       3.399  0.000   1
constraint    11 ser      ha        11 ser     hb1       3.886  0.000   2
constraint    11 ser      ha        11 ser     hb2       3.886  0.000   1
constraint    11 ser      ha        12 ala       h       4.694  0.000   1
constraint    11 ser      ha        12 ala     hb3       4.899  0.000   7
constraint    11 ser      ha        12 ala     hb2       4.899  0.000   6
constraint    11 ser      ha        12 ala     hb1       4.899  0.000   5
constraint    11 ser      ha        60 ile    hg11       4.899  0.000   4
constraint    11 ser      ha        60 ile    hg12       4.899  0.000   3
constraint    74 lys      ha        74 lys     hb1       4.899  0.000   2
constraint    74 lys      ha        74 lys     hb2       4.899  0.000   1
constraint    11 ser      ha        13 gly       h       5.000  0.000   1
constraint    11 ser      ha        60 ile    hg23       4.500  0.000   6
constraint    11 ser      ha        60 ile    hg22       4.500  0.000   5
constraint    11 ser      ha        60 ile    hg21       4.500  0.000   4
constraint    11 ser      ha        60 ile     hd3       4.500  0.000   3
constraint    11 ser      ha        60 ile     hd2       4.500  0.000   2
constraint    11 ser      ha        60 ile     hd1       4.500  0.000   1
constraint    11 ser     hb1        12 ala     hb3       3.783  0.000   7
constraint    11 ser     hb1        12 ala     hb2       3.783  0.000   6
constraint    11 ser     hb1        12 ala     hb1       3.783  0.000   5
constraint    11 ser     hb2        12 ala     hb3       3.783  0.000   4
constraint    11 ser     hb2        12 ala     hb2       3.783  0.000   3
constraint    11 ser     hb2        12 ala     hb1       3.783  0.000   2
constraint    16 thr      ha        19 leu      hg       3.783  0.000   1
constraint    11 ser     hb1        16 thr    hg23       4.998  0.000  15
constraint    11 ser     hb1        16 thr    hg22       4.998  0.000  14
constraint    11 ser     hb1        16 thr    hg21       4.998  0.000  13
constraint    11 ser     hb2        16 thr    hg23       4.998  0.000  12
constraint    11 ser     hb2        16 thr    hg22       4.998  0.000  11
constraint    11 ser     hb2        16 thr    hg21       4.998  0.000  10
constraint    16 thr    hg23        19 leu      ha       4.998  0.000   9
constraint    16 thr    hg22        19 leu      ha       4.998  0.000   8
constraint    16 thr    hg21        19 leu      ha       4.998  0.000   7
constraint    16 thr    hg23        57 gly     ha1       4.998  0.000   6
constraint    16 thr    hg22        57 gly     ha1       4.998  0.000   5
constraint    16 thr    hg21        57 gly     ha1       4.998  0.000   4
constraint    16 thr    hg23        57 gly     ha2       4.998  0.000   3
constraint    16 thr    hg22        57 gly     ha2       4.998  0.000   2
constraint    16 thr    hg21        57 gly     ha2       4.998  0.000   1
constraint    11 ser     hb1        56 leu       h       5.000  0.000   5
constraint    11 ser     hb2        56 leu       h       5.000  0.000   4
constraint    21 ser     hb1        23 met       h       5.000  0.000   3
constraint    21 ser     hb2        23 met       h       5.000  0.000   2
constraint    23 met       h        90 leu      ha       5.000  0.000   1
constraint    11 ser     hb1        57 gly       h       4.042  0.000   5
constraint    11 ser     hb2        57 gly       h       4.042  0.000   4
constraint    81 ser      ha        82 leu       h       4.042  0.000   3
constraint    81 ser     hb1        82 leu       h       4.042  0.000   2
constraint    81 ser     hb2        82 leu       h       4.042  0.000   1
constraint    11 ser     hb1        59 gln       h       3.833  0.000   3
constraint    11 ser     hb2        59 gln       h       3.833  0.000   2
constraint    24 arg      ha        27 ala       h       3.833  0.000   1
constraint    11 ser     hb1        59 gln       h       4.167  0.000   5
constraint    11 ser     hb2        59 gln       h       4.167  0.000   4
constraint    57 gly     ha1        59 gln       h       4.167  0.000   3
constraint    57 gly     ha2        59 gln       h       4.167  0.000   2
constraint    64 leu      ha        68 gln       h       4.167  0.000   1
constraint    11 ser     hb1        59 gln     hb1       2.830  0.000  12
constraint    11 ser     hb1        59 gln     hb2       2.830  0.000  11
constraint    11 ser     hb2        59 gln     hb1       2.830  0.000  10
constraint    11 ser     hb2        59 gln     hb2       2.830  0.000   9
constraint    24 arg      ha        28 glu     hb1       2.830  0.000   8
constraint    24 arg      ha        93 leu      hg       2.830  0.000   7
constraint    31 glu      ha        31 glu     hb1       2.830  0.000   6
constraint    31 glu      ha        31 glu     hb2       2.830  0.000   5
constraint    31 glu      ha        31 glu     hg1       2.830  0.000   4
constraint    31 glu      ha        31 glu     hg2       2.830  0.000   3
constraint    31 glu     hg2        93 leu      ha       2.830  0.000   2
constraint    93 leu      ha        93 leu      hg       2.830  0.000   1
constraint    11 ser     hb1        60 ile    hg23       2.882  0.000  36
constraint    11 ser     hb1        60 ile    hg22       2.882  0.000  35
constraint    11 ser     hb1        60 ile    hg21       2.882  0.000  34
constraint    11 ser     hb1        60 ile     hd3       2.882  0.000  33
constraint    11 ser     hb1        60 ile     hd2       2.882  0.000  32
constraint    11 ser     hb1        60 ile     hd1       2.882  0.000  31
constraint    11 ser     hb2        60 ile    hg23       2.882  0.000  30
constraint    11 ser     hb2        60 ile    hg22       2.882  0.000  29
constraint    11 ser     hb2        60 ile    hg21       2.882  0.000  28
constraint    11 ser     hb2        60 ile     hd3       2.882  0.000  27
constraint    11 ser     hb2        60 ile     hd2       2.882  0.000  26
constraint    11 ser     hb2        60 ile     hd1       2.882  0.000  25
constraint    19 leu      ha        87 val    hg13       2.882  0.000  24
constraint    19 leu      ha        87 val    hg12       2.882  0.000  23
constraint    19 leu      ha        87 val    hg11       2.882  0.000  22
constraint    19 leu      ha        87 val    hg23       2.882  0.000  21
constraint    19 leu      ha        87 val    hg22       2.882  0.000  20
constraint    19 leu      ha        87 val    hg21       2.882  0.000  19
constraint    57 gly     ha1        60 ile    hg23       2.882  0.000  18
constraint    57 gly     ha1        60 ile    hg22       2.882  0.000  17
constraint    57 gly     ha1        60 ile    hg21       2.882  0.000  16
constraint    57 gly     ha1        60 ile     hd3       2.882  0.000  15
constraint    57 gly     ha1        60 ile     hd2       2.882  0.000  14
constraint    57 gly     ha1        60 ile     hd1       2.882  0.000  13
constraint    57 gly     ha2        60 ile    hg23       2.882  0.000  12
constraint    57 gly     ha2        60 ile    hg22       2.882  0.000  11
constraint    57 gly     ha2        60 ile    hg21       2.882  0.000  10
constraint    57 gly     ha2        60 ile     hd3       2.882  0.000   9
constraint    57 gly     ha2        60 ile     hd2       2.882  0.000   8
constraint    57 gly     ha2        60 ile     hd1       2.882  0.000   7
constraint    60 ile    hg23        64 leu      ha       2.882  0.000   6
constraint    60 ile    hg22        64 leu      ha       2.882  0.000   5
constraint    60 ile    hg21        64 leu      ha       2.882  0.000   4
constraint    60 ile     hd3        64 leu      ha       2.882  0.000   3
constraint    60 ile     hd2        64 leu      ha       2.882  0.000   2
constraint    60 ile     hd1        64 leu      ha       2.882  0.000   1
constraint    11 ser     hb1        60 ile    hg23       2.723  0.000  24
constraint    11 ser     hb1        60 ile    hg22       2.723  0.000  23
constraint    11 ser     hb1        60 ile    hg21       2.723  0.000  22
constraint    11 ser     hb1        60 ile     hd3       2.723  0.000  21
constraint    11 ser     hb1        60 ile     hd2       2.723  0.000  20
constraint    11 ser     hb1        60 ile     hd1       2.723  0.000  19
constraint    11 ser     hb2        60 ile    hg23       2.723  0.000  18
constraint    11 ser     hb2        60 ile    hg22       2.723  0.000  17
constraint    11 ser     hb2        60 ile    hg21       2.723  0.000  16
constraint    11 ser     hb2        60 ile     hd3       2.723  0.000  15
constraint    11 ser     hb2        60 ile     hd2       2.723  0.000  14
constraint    11 ser     hb2        60 ile     hd1       2.723  0.000  13
constraint    90 leu      ha        90 leu    hd13       2.723  0.000  12
constraint    90 leu      ha        90 leu    hd12       2.723  0.000  11
constraint    90 leu      ha        90 leu    hd11       2.723  0.000  10
constraint    90 leu      ha        90 leu    hd23       2.723  0.000   9
constraint    90 leu      ha        90 leu    hd22       2.723  0.000   8
constraint    90 leu      ha        90 leu    hd21       2.723  0.000   7
constraint    90 leu      ha        93 leu    hd13       2.723  0.000   6
constraint    90 leu      ha        93 leu    hd12       2.723  0.000   5
constraint    90 leu      ha        93 leu    hd11       2.723  0.000   4
constraint    90 leu      ha        93 leu    hd23       2.723  0.000   3
constraint    90 leu      ha        93 leu    hd22       2.723  0.000   2
constraint    90 leu      ha        93 leu    hd21       2.723  0.000   1
constraint    11 ser     hb1        60 ile    hg23       4.500  0.000   6
constraint    11 ser     hb1        60 ile    hg22       4.500  0.000   5
constraint    11 ser     hb1        60 ile    hg21       4.500  0.000   4
constraint    11 ser     hb1        60 ile     hd3       4.500  0.000   3
constraint    11 ser     hb1        60 ile     hd2       4.500  0.000   2
constraint    11 ser     hb1        60 ile     hd1       4.500  0.000   1
constraint    11 ser     hb1        79 ile       h       4.427  0.000   5
constraint    11 ser     hb1        80 asp       h       4.427  0.000   4
constraint    11 ser     hb2        79 ile       h       4.427  0.000   3
constraint    11 ser     hb2        80 asp       h       4.427  0.000   2
constraint    28 glu      ha        32 val       h       4.427  0.000   1
constraint    11 ser     hb1        84 tyr     hd1       4.755  0.000   6
constraint    11 ser     hb1        84 tyr     hd2       4.755  0.000   5
constraint    11 ser     hb2        84 tyr     hd1       4.755  0.000   4
constraint    11 ser     hb2        84 tyr     hd2       4.755  0.000   3
constraint    16 thr      ha        84 tyr     hd1       4.755  0.000   2
constraint    16 thr      ha        84 tyr     hd2       4.755  0.000   1
constraint    11 ser     hb1        84 tyr     hd1       5.000  0.000   6
constraint    11 ser     hb1        84 tyr     hd2       5.000  0.000   5
constraint    11 ser     hb2        84 tyr     hd1       5.000  0.000   4
constraint    11 ser     hb2        84 tyr     hd2       5.000  0.000   3
constraint    30 tyr     he1        90 leu      ha       5.000  0.000   2
constraint    30 tyr     he2        90 leu      ha       5.000  0.000   1
constraint    11 ser     hb1        84 tyr     hd1       3.533  0.000  12
constraint    11 ser     hb1        84 tyr     hd2       3.533  0.000  11
constraint    11 ser     hb2        84 tyr     hd1       3.533  0.000  10
constraint    11 ser     hb2        84 tyr     hd2       3.533  0.000   9
constraint    81 ser      ha        84 tyr     hd1       3.533  0.000   8
constraint    81 ser      ha        84 tyr     hd2       3.533  0.000   7
constraint    81 ser     hb1        84 tyr     hd1       3.533  0.000   6
constraint    81 ser     hb1        84 tyr     hd2       3.533  0.000   5
constraint    84 tyr     hd1        85 gly     ha1       3.533  0.000   4
constraint    84 tyr     hd1        85 gly     ha2       3.533  0.000   3
constraint    84 tyr     hd2        85 gly     ha1       3.533  0.000   2
constraint    84 tyr     hd2        85 gly     ha2       3.533  0.000   1
constraint    11 ser     hb1        84 tyr     he1       4.032  0.000   8
constraint    11 ser     hb1        84 tyr     he2       4.032  0.000   7
constraint    11 ser     hb2        84 tyr     he1       4.032  0.000   6
constraint    11 ser     hb2        84 tyr     he2       4.032  0.000   5
constraint    15 ser     hb1        84 tyr     he1       4.032  0.000   4
constraint    15 ser     hb1        84 tyr     he2       4.032  0.000   3
constraint    15 ser     hb2        84 tyr     he1       4.032  0.000   2
constraint    15 ser     hb2        84 tyr     he2       4.032  0.000   1
constraint    11 ser     hb1        84 tyr     he1       3.620  0.000   6
constraint    11 ser     hb1        84 tyr     he2       3.620  0.000   5
constraint    11 ser     hb2        84 tyr     he1       3.620  0.000   4
constraint    11 ser     hb2        84 tyr     he2       3.620  0.000   3
constraint    16 thr      ha        84 tyr     he1       3.620  0.000   2
constraint    16 thr      ha        84 tyr     he2       3.620  0.000   1
constraint    11 ser     hb1        84 tyr     he1       4.227  0.000   8
constraint    11 ser     hb1        84 tyr     he2       4.227  0.000   7
constraint    11 ser     hb2        84 tyr     he1       4.227  0.000   6
constraint    11 ser     hb2        84 tyr     he2       4.227  0.000   5
constraint    57 gly     ha1        84 tyr     he1       4.227  0.000   4
constraint    57 gly     ha1        84 tyr     he2       4.227  0.000   3
constraint    57 gly     ha2        84 tyr     he1       4.227  0.000   2
constraint    57 gly     ha2        84 tyr     he2       4.227  0.000   1
constraint    11 ser     hb2        60 ile    hg23       4.500  0.000   6
constraint    11 ser     hb2        60 ile    hg22       4.500  0.000   5
constraint    11 ser     hb2        60 ile    hg21       4.500  0.000   4
constraint    11 ser     hb2        60 ile     hd3       4.500  0.000   3
constraint    11 ser     hb2        60 ile     hd2       4.500  0.000   2
constraint    11 ser     hb2        60 ile     hd1       4.500  0.000   1
constraint    12 ala       h        12 ala     hb3       3.320  0.000   3
constraint    12 ala       h        12 ala     hb2       3.320  0.000   2
constraint    12 ala       h        12 ala     hb1       3.320  0.000   1
constraint    12 ala       h        13 gly       h       4.616  0.000   1
constraint    12 ala       h        14 met      ha       4.104  0.000   2
constraint    14 met      ha        17 ser       h       4.104  0.000   1
constraint    12 ala       h        59 gln     hg1       7.000  0.000   3
constraint    80 asp     hb1        92 val       h       7.000  0.000   2
constraint    80 asp     hb2        92 val       h       7.000  0.000   1
constraint    12 ala       h        59 gln    he21       7.000  0.000   2
constraint    12 ala       h        59 gln    he22       7.000  0.000   1
constraint    12 ala       h        60 ile    hg23       3.857  0.000  30
constraint    12 ala       h        60 ile    hg22       3.857  0.000  29
constraint    12 ala       h        60 ile    hg21       3.857  0.000  28
constraint    12 ala       h        60 ile     hd3       3.857  0.000  27
constraint    12 ala       h        60 ile     hd2       3.857  0.000  26
constraint    12 ala       h        60 ile     hd1       3.857  0.000  25
constraint    17 ser       h        18 leu    hd13       3.857  0.000  24
constraint    17 ser       h        18 leu    hd12       3.857  0.000  23
constraint    17 ser       h        18 leu    hd11       3.857  0.000  22
constraint    17 ser       h        18 leu    hd23       3.857  0.000  21
constraint    17 ser       h        18 leu    hd22       3.857  0.000  20
constraint    17 ser       h        18 leu    hd21       3.857  0.000  19
constraint    17 ser       h        20 val    hg13       3.857  0.000  18
constraint    17 ser       h        20 val    hg12       3.857  0.000  17
constraint    17 ser       h        20 val    hg11       3.857  0.000  16
constraint    17 ser       h        20 val    hg23       3.857  0.000  15
constraint    17 ser       h        20 val    hg22       3.857  0.000  14
constraint    17 ser       h        20 val    hg21       3.857  0.000  13
constraint    83 leu    hd13        92 val       h       3.857  0.000  12
constraint    83 leu    hd12        92 val       h       3.857  0.000  11
constraint    83 leu    hd11        92 val       h       3.857  0.000  10
constraint    83 leu    hd23        92 val       h       3.857  0.000   9
constraint    83 leu    hd22        92 val       h       3.857  0.000   8
constraint    83 leu    hd21        92 val       h       3.857  0.000   7
constraint    90 leu    hd13        92 val       h       3.857  0.000   6
constraint    90 leu    hd12        92 val       h       3.857  0.000   5
constraint    90 leu    hd11        92 val       h       3.857  0.000   4
constraint    90 leu    hd23        92 val       h       3.857  0.000   3
constraint    90 leu    hd22        92 val       h       3.857  0.000   2
constraint    90 leu    hd21        92 val       h       3.857  0.000   1
constraint    12 ala       h        60 ile    hg23       3.812  0.000  15
constraint    12 ala       h        60 ile    hg22       3.812  0.000  14
constraint    12 ala       h        60 ile    hg21       3.812  0.000  13
constraint    12 ala       h        60 ile     hd3       3.812  0.000  12
constraint    12 ala       h        60 ile     hd2       3.812  0.000  11
constraint    12 ala       h        60 ile     hd1       3.812  0.000  10
constraint    79 ile     hd3        92 val       h       3.812  0.000   9
constraint    79 ile     hd2        92 val       h       3.812  0.000   8
constraint    79 ile     hd1        92 val       h       3.812  0.000   7
constraint    83 leu    hd13        92 val       h       3.812  0.000   6
constraint    83 leu    hd12        92 val       h       3.812  0.000   5
constraint    83 leu    hd11        92 val       h       3.812  0.000   4
constraint    83 leu    hd23        92 val       h       3.812  0.000   3
constraint    83 leu    hd22        92 val       h       3.812  0.000   2
constraint    83 leu    hd21        92 val       h       3.812  0.000   1
constraint    12 ala       h        84 tyr     he1       6.000  0.000   4
constraint    12 ala       h        84 tyr     he2       6.000  0.000   3
constraint    17 ser       h        84 tyr     he1       6.000  0.000   2
constraint    17 ser       h        84 tyr     he2       6.000  0.000   1
constraint    12 ala      ha        13 gly       h       3.353  0.000   1
constraint    12 ala      ha        59 gln    he21       5.000  0.000   2
constraint    12 ala      ha        59 gln    he22       5.000  0.000   1
constraint    12 ala      ha        60 ile       h       8.000  0.000   2
constraint    71 leu       h        72 pro      ha       8.000  0.000   1
constraint    12 ala     hb3        15 ser       h       7.000  0.000   4
constraint    12 ala     hb2        15 ser       h       7.000  0.000   3
constraint    12 ala     hb1        15 ser       h       7.000  0.000   2
constraint    15 ser       h        19 leu      hg       7.000  0.000   1
constraint    12 ala     hb3        59 gln    he21       4.007  0.000   6
constraint    12 ala     hb2        59 gln    he21       4.007  0.000   5
constraint    12 ala     hb1        59 gln    he21       4.007  0.000   4
constraint    12 ala     hb3        59 gln    he22       4.007  0.000   3
constraint    12 ala     hb2        59 gln    he22       4.007  0.000   2
constraint    12 ala     hb1        59 gln    he22       4.007  0.000   1
constraint    12 ala     hb3        84 tyr     hd1       5.000  0.000  12
constraint    12 ala     hb2        84 tyr     hd1       5.000  0.000  11
constraint    12 ala     hb1        84 tyr     hd1       5.000  0.000  10
constraint    12 ala     hb3        84 tyr     hd2       5.000  0.000   9
constraint    12 ala     hb2        84 tyr     hd2       5.000  0.000   8
constraint    12 ala     hb1        84 tyr     hd2       5.000  0.000   7
constraint    19 leu      hg        84 tyr     hd1       5.000  0.000   6
constraint    19 leu      hg        84 tyr     hd2       5.000  0.000   5
constraint    60 ile    hg11        62 tyr     he1       5.000  0.000   4
constraint    60 ile    hg11        62 tyr     he2       5.000  0.000   3
constraint    60 ile    hg12        62 tyr     he1       5.000  0.000   2
constraint    60 ile    hg12        62 tyr     he2       5.000  0.000   1
constraint    12 ala     hb3        84 tyr     he1       4.100  0.000   8
constraint    12 ala     hb2        84 tyr     he1       4.100  0.000   7
constraint    12 ala     hb1        84 tyr     he1       4.100  0.000   6
constraint    12 ala     hb3        84 tyr     he2       4.100  0.000   5
constraint    12 ala     hb2        84 tyr     he2       4.100  0.000   4
constraint    12 ala     hb1        84 tyr     he2       4.100  0.000   3
constraint    19 leu      hg        84 tyr     he1       4.100  0.000   2
constraint    19 leu      hg        84 tyr     he2       4.100  0.000   1
constraint    13 gly       h        16 thr    hg23       7.000  0.000   3
constraint    13 gly       h        16 thr    hg22       7.000  0.000   2
constraint    13 gly       h        16 thr    hg21       7.000  0.000   1
constraint    13 gly     ha1        14 met       h       4.095  0.000   2
constraint    13 gly     ha2        14 met       h       4.095  0.000   1
constraint    13 gly     ha1        84 tyr     hd1       4.256  0.000   8
constraint    13 gly     ha1        84 tyr     hd2       4.256  0.000   7
constraint    13 gly     ha2        84 tyr     hd1       4.256  0.000   6
constraint    13 gly     ha2        84 tyr     hd2       4.256  0.000   5
constraint    84 tyr     hd1        85 gly     ha1       4.256  0.000   4
constraint    84 tyr     hd1        85 gly     ha2       4.256  0.000   3
constraint    84 tyr     hd2        85 gly     ha1       4.256  0.000   2
constraint    84 tyr     hd2        85 gly     ha2       4.256  0.000   1
constraint    14 met       h        14 met     hb1       7.000  0.000   2
constraint    14 met       h        14 met     hb2       7.000  0.000   1
constraint    14 met       h        14 met     hg1       7.000  0.000   2
constraint    14 met       h        14 met     hg2       7.000  0.000   1
constraint    14 met      ha        14 met     hb1       4.273  0.000   2
constraint    14 met      ha        14 met     hb2       4.273  0.000   1
constraint    14 met      ha        14 met     hg1       4.157  0.000   2
constraint    14 met      ha        14 met     hg2       4.157  0.000   1
constraint    14 met      ha        85 gly     ha1       3.319  0.000   5
constraint    14 met      ha        85 gly     ha2       3.319  0.000   4
constraint    80 asp      ha        81 ser      ha       3.319  0.000   3
constraint    80 asp      ha        81 ser     hb1       3.319  0.000   2
constraint    80 asp      ha        81 ser     hb2       3.319  0.000   1
constraint    14 met      ha        87 val    hg13       3.886  0.000  18
constraint    14 met      ha        87 val    hg12       3.886  0.000  17
constraint    14 met      ha        87 val    hg11       3.886  0.000  16
constraint    14 met      ha        87 val    hg23       3.886  0.000  15
constraint    14 met      ha        87 val    hg22       3.886  0.000  14
constraint    14 met      ha        87 val    hg21       3.886  0.000  13
constraint    42 thr      hb        43 leu    hd13       3.886  0.000  12
constraint    42 thr      hb        43 leu    hd12       3.886  0.000  11
constraint    42 thr      hb        43 leu    hd11       3.886  0.000  10
constraint    42 thr      hb        43 leu    hd23       3.886  0.000   9
constraint    42 thr      hb        43 leu    hd22       3.886  0.000   8
constraint    42 thr      hb        43 leu    hd21       3.886  0.000   7
constraint    80 asp      ha        83 leu    hd13       3.886  0.000   6
constraint    80 asp      ha        83 leu    hd12       3.886  0.000   5
constraint    80 asp      ha        83 leu    hd11       3.886  0.000   4
constraint    80 asp      ha        83 leu    hd23       3.886  0.000   3
constraint    80 asp      ha        83 leu    hd22       3.886  0.000   2
constraint    80 asp      ha        83 leu    hd21       3.886  0.000   1
constraint    14 met     hb1        15 ser       h       3.870  0.000   2
constraint    14 met     hb2        15 ser       h       3.870  0.000   1
constraint    14 met     hb1        15 ser       h       5.000  0.000   1
constraint    14 met     hb2        15 ser       h       5.000  0.000   1
constraint    14 met     hg1        15 ser       h       5.000  0.000   2
constraint    14 met     hg2        15 ser       h       5.000  0.000   1
constraint    14 met     hg1        18 leu       h       7.000  0.000   2
constraint    14 met     hg2        18 leu       h       7.000  0.000   1
constraint    14 met     hg1        39 phe     hd1       6.000  0.000   8
constraint    14 met     hg1        39 phe     hd2       6.000  0.000   7
constraint    14 met     hg2        39 phe     hd1       6.000  0.000   6
constraint    14 met     hg2        39 phe     hd2       6.000  0.000   5
constraint    39 phe     hd1        40 pro     hg1       6.000  0.000   4
constraint    39 phe     hd1        40 pro     hg2       6.000  0.000   3
constraint    39 phe     hd2        40 pro     hg1       6.000  0.000   2
constraint    39 phe     hd2        40 pro     hg2       6.000  0.000   1
constraint    15 ser       h        15 ser     hb1       3.812  0.000   2
constraint    15 ser       h        15 ser     hb2       3.812  0.000   1
constraint    15 ser       h        15 ser     hb1       4.346  0.000   1
constraint    15 ser       h        15 ser     hb2       4.346  0.000   1
constraint    15 ser       h        16 thr       h       4.813  0.000   1
constraint    15 ser       h        84 tyr     he1       5.000  0.000   2
constraint    15 ser       h        84 tyr     he2       5.000  0.000   1
constraint    15 ser      ha        84 tyr     he1       5.000  0.000   2
constraint    15 ser      ha        84 tyr     he2       5.000  0.000   1
constraint    15 ser     hb1        16 thr       h       5.000  0.000   4
constraint    15 ser     hb2        16 thr       h       5.000  0.000   3
constraint    24 arg      ha        28 glu       h       5.000  0.000   2
constraint    28 glu       h        29 lys      ha       5.000  0.000   1
constraint    15 ser     hb1        16 thr    hg23       4.290  0.000   9
constraint    15 ser     hb1        16 thr    hg22       4.290  0.000   8
constraint    15 ser     hb1        16 thr    hg21       4.290  0.000   7
constraint    15 ser     hb2        16 thr    hg23       4.290  0.000   6
constraint    15 ser     hb2        16 thr    hg22       4.290  0.000   5
constraint    15 ser     hb2        16 thr    hg21       4.290  0.000   4
constraint    16 thr    hg23        17 ser      ha       4.290  0.000   3
constraint    16 thr    hg22        17 ser      ha       4.290  0.000   2
constraint    16 thr    hg21        17 ser      ha       4.290  0.000   1
constraint    15 ser     hb1        84 tyr     he1       3.981  0.000   4
constraint    15 ser     hb1        84 tyr     he2       3.981  0.000   3
constraint    15 ser     hb2        84 tyr     he1       3.981  0.000   2
constraint    15 ser     hb2        84 tyr     he2       3.981  0.000   1
constraint    16 thr       h        16 thr    hg23       4.292  0.000   3
constraint    16 thr       h        16 thr    hg22       4.292  0.000   2
constraint    16 thr       h        16 thr    hg21       4.292  0.000   1
constraint    16 thr       h        17 ser       h       3.696  0.000   1
constraint    16 thr       h        18 leu     hb1       4.359  0.000  12
constraint    16 thr       h        18 leu     hb2       4.359  0.000  11
constraint    16 thr       h        18 leu      hg       4.359  0.000  10
constraint    18 leu     hb1        89 gly       h       4.359  0.000   9
constraint    18 leu     hb2        89 gly       h       4.359  0.000   8
constraint    22 lys     hg1        89 gly       h       4.359  0.000   7
constraint    22 lys     hg2        89 gly       h       4.359  0.000   6
constraint    25 ala     hb3        28 glu       h       4.359  0.000   5
constraint    25 ala     hb2        28 glu       h       4.359  0.000   4
constraint    25 ala     hb1        28 glu       h       4.359  0.000   3
constraint   101 lys     hg1       105 ala       h       4.359  0.000   2
constraint   101 lys     hg2       105 ala       h       4.359  0.000   1
constraint    16 thr       h        19 leu       h       6.000  0.000   1
constraint    16 thr       h        84 tyr     he1       5.000  0.000   2
constraint    16 thr       h        84 tyr     he2       5.000  0.000   1
constraint    16 thr      ha        16 thr      hb       3.592  0.000   1
constraint    16 thr      ha        19 leu       h       4.060  0.000   1
constraint    16 thr      hb        17 ser       h       3.659  0.000   2
constraint    17 ser       h        17 ser     hb1       3.659  0.000   1
constraint    16 thr      hb        84 tyr     he1       5.000  0.000   2
constraint    16 thr      hb        84 tyr     he2       5.000  0.000   1
constraint    16 thr    hg23        17 ser       h       4.209  0.000   3
constraint    16 thr    hg22        17 ser       h       4.209  0.000   2
constraint    16 thr    hg21        17 ser       h       4.209  0.000   1
constraint    16 thr    hg23        19 leu       h       7.000  0.000   3
constraint    16 thr    hg22        19 leu       h       7.000  0.000   2
constraint    16 thr    hg21        19 leu       h       7.000  0.000   1
constraint    16 thr    hg23        19 leu       h       8.000  0.000   3
constraint    16 thr    hg22        19 leu       h       8.000  0.000   2
constraint    16 thr    hg21        19 leu       h       8.000  0.000   1
constraint    16 thr    hg23        20 val       h       4.358  0.000   6
constraint    16 thr    hg22        20 val       h       4.358  0.000   5
constraint    16 thr    hg21        20 val       h       4.358  0.000   4
constraint    16 thr    hg23        39 phe       h       4.358  0.000   3
constraint    16 thr    hg22        39 phe       h       4.358  0.000   2
constraint    16 thr    hg21        39 phe       h       4.358  0.000   1
constraint    16 thr    hg23        20 val      ha       7.000  0.000   3
constraint    16 thr    hg22        20 val      ha       7.000  0.000   2
constraint    16 thr    hg21        20 val      ha       7.000  0.000   1
constraint    16 thr    hg23        38 ala       h       5.000  0.000   3
constraint    16 thr    hg22        38 ala       h       5.000  0.000   2
constraint    16 thr    hg21        38 ala       h       5.000  0.000   1
constraint    16 thr    hg23        38 ala      ha       4.682  0.000   3
constraint    16 thr    hg22        38 ala      ha       4.682  0.000   2
constraint    16 thr    hg21        38 ala      ha       4.682  0.000   1
constraint    16 thr    hg23        84 tyr     hd1       7.000  0.000   6
constraint    16 thr    hg22        84 tyr     hd1       7.000  0.000   5
constraint    16 thr    hg21        84 tyr     hd1       7.000  0.000   4
constraint    16 thr    hg23        84 tyr     hd2       7.000  0.000   3
constraint    16 thr    hg22        84 tyr     hd2       7.000  0.000   2
constraint    16 thr    hg21        84 tyr     hd2       7.000  0.000   1
constraint    16 thr    hg23        84 tyr     he1       3.837  0.000   6
constraint    16 thr    hg22        84 tyr     he1       3.837  0.000   5
constraint    16 thr    hg21        84 tyr     he1       3.837  0.000   4
constraint    16 thr    hg23        84 tyr     he2       3.837  0.000   3
constraint    16 thr    hg22        84 tyr     he2       3.837  0.000   2
constraint    16 thr    hg21        84 tyr     he2       3.837  0.000   1
constraint    17 ser      ha        18 leu    hd13       2.564  0.000  42
constraint    17 ser      ha        18 leu    hd12       2.564  0.000  41
constraint    17 ser      ha        18 leu    hd11       2.564  0.000  40
constraint    17 ser      ha        18 leu    hd23       2.564  0.000  39
constraint    17 ser      ha        18 leu    hd22       2.564  0.000  38
constraint    17 ser      ha        18 leu    hd21       2.564  0.000  37
constraint    17 ser      ha        20 val    hg13       2.564  0.000  36
constraint    17 ser      ha        20 val    hg12       2.564  0.000  35
constraint    17 ser      ha        20 val    hg11       2.564  0.000  34
constraint    17 ser      ha        20 val    hg23       2.564  0.000  33
constraint    17 ser      ha        20 val    hg22       2.564  0.000  32
constraint    17 ser      ha        20 val    hg21       2.564  0.000  31
constraint    58 pro      ha        60 ile    hg23       2.564  0.000  30
constraint    58 pro      ha        60 ile    hg22       2.564  0.000  29
constraint    58 pro      ha        60 ile    hg21       2.564  0.000  28
constraint    58 pro      ha        60 ile     hd3       2.564  0.000  27
constraint    58 pro      ha        60 ile     hd2       2.564  0.000  26
constraint    58 pro      ha        60 ile     hd1       2.564  0.000  25
constraint    58 pro      ha        64 leu    hd13       2.564  0.000  24
constraint    58 pro      ha        64 leu    hd12       2.564  0.000  23
constraint    58 pro      ha        64 leu    hd11       2.564  0.000  22
constraint    58 pro      ha        64 leu    hd23       2.564  0.000  21
constraint    58 pro      ha        64 leu    hd22       2.564  0.000  20
constraint    58 pro      ha        64 leu    hd21       2.564  0.000  19
constraint    58 pro      ha        78 val    hg13       2.564  0.000  18
constraint    58 pro      ha        78 val    hg12       2.564  0.000  17
constraint    58 pro      ha        78 val    hg11       2.564  0.000  16
constraint    58 pro      ha        78 val    hg23       2.564  0.000  15
constraint    58 pro      ha        78 val    hg22       2.564  0.000  14
constraint    58 pro      ha        78 val    hg21       2.564  0.000  13
constraint    64 leu    hd13        68 gln      ha       2.564  0.000  12
constraint    64 leu    hd12        68 gln      ha       2.564  0.000  11
constraint    64 leu    hd11        68 gln      ha       2.564  0.000  10
constraint    64 leu    hd23        68 gln      ha       2.564  0.000   9
constraint    64 leu    hd22        68 gln      ha       2.564  0.000   8
constraint    64 leu    hd21        68 gln      ha       2.564  0.000   7
constraint    83 leu      ha        83 leu    hd13       2.564  0.000   6
constraint    83 leu      ha        83 leu    hd12       2.564  0.000   5
constraint    83 leu      ha        83 leu    hd11       2.564  0.000   4
constraint    83 leu      ha        83 leu    hd23       2.564  0.000   3
constraint    83 leu      ha        83 leu    hd22       2.564  0.000   2
constraint    83 leu      ha        83 leu    hd21       2.564  0.000   1
constraint    17 ser      ha        20 val       h       3.770  0.000   1
constraint    17 ser      ha        20 val      hb       2.795  0.000   5
constraint    68 gln      ha        68 gln     hb1       2.795  0.000   4
constraint    68 gln      ha        68 gln     hb2       2.795  0.000   3
constraint    68 gln     hb1        69 arg      ha       2.795  0.000   2
constraint    68 gln     hb2        69 arg      ha       2.795  0.000   1
constraint    17 ser      ha        38 ala     hb3       3.449  0.000  11
constraint    17 ser      ha        38 ala     hb2       3.449  0.000  10
constraint    17 ser      ha        38 ala     hb1       3.449  0.000   9
constraint    58 pro      ha        78 val    hg13       3.449  0.000   8
constraint    58 pro      ha        78 val    hg12       3.449  0.000   7
constraint    58 pro      ha        78 val    hg11       3.449  0.000   6
constraint    58 pro      ha        78 val    hg23       3.449  0.000   5
constraint    58 pro      ha        78 val    hg22       3.449  0.000   4
constraint    58 pro      ha        78 val    hg21       3.449  0.000   3
constraint    68 gln      ha        71 leu     hb1       3.449  0.000   2
constraint    68 gln      ha        71 leu     hb2       3.449  0.000   1
constraint    18 leu       h        18 leu     hb1       3.315  0.000   3
constraint    18 leu       h        18 leu     hb2       3.315  0.000   2
constraint    18 leu       h        18 leu      hg       3.315  0.000   1
constraint    18 leu       h        18 leu     hb1       3.368  0.000   2
constraint    18 leu       h        18 leu     hb2       3.368  0.000   1
constraint    18 leu       h        19 leu       h       3.584  0.000   1
constraint    18 leu       h        20 val       h       5.000  0.000   1
constraint    18 leu      ha        18 leu     hb1       3.191  0.000   2
constraint    18 leu      ha        18 leu     hb2       3.191  0.000   1
constraint    18 leu      ha        18 leu    hd13       2.731  0.000  36
constraint    18 leu      ha        18 leu    hd12       2.731  0.000  35
constraint    18 leu      ha        18 leu    hd11       2.731  0.000  34
constraint    18 leu      ha        18 leu    hd23       2.731  0.000  33
constraint    18 leu      ha        18 leu    hd22       2.731  0.000  32
constraint    18 leu      ha        18 leu    hd21       2.731  0.000  31
constraint    18 leu    hd13        21 ser      ha       2.731  0.000  30
constraint    18 leu    hd12        21 ser      ha       2.731  0.000  29
constraint    18 leu    hd11        21 ser      ha       2.731  0.000  28
constraint    18 leu    hd13        21 ser     hb1       2.731  0.000  27
constraint    18 leu    hd12        21 ser     hb1       2.731  0.000  26
constraint    18 leu    hd11        21 ser     hb1       2.731  0.000  25
constraint    18 leu    hd13        21 ser     hb2       2.731  0.000  24
constraint    18 leu    hd12        21 ser     hb2       2.731  0.000  23
constraint    18 leu    hd11        21 ser     hb2       2.731  0.000  22
constraint    18 leu    hd23        21 ser      ha       2.731  0.000  21
constraint    18 leu    hd22        21 ser      ha       2.731  0.000  20
constraint    18 leu    hd21        21 ser      ha       2.731  0.000  19
constraint    18 leu    hd23        21 ser     hb1       2.731  0.000  18
constraint    18 leu    hd22        21 ser     hb1       2.731  0.000  17
constraint    18 leu    hd21        21 ser     hb1       2.731  0.000  16
constraint    18 leu    hd23        21 ser     hb2       2.731  0.000  15
constraint    18 leu    hd22        21 ser     hb2       2.731  0.000  14
constraint    18 leu    hd21        21 ser     hb2       2.731  0.000  13
constraint    21 ser      ha        35 ile    hg23       2.731  0.000  12
constraint    21 ser      ha        35 ile    hg22       2.731  0.000  11
constraint    21 ser      ha        35 ile    hg21       2.731  0.000  10
constraint    41 glu      ha        60 ile    hg23       2.731  0.000   9
constraint    41 glu      ha        60 ile    hg22       2.731  0.000   8
constraint    41 glu      ha        60 ile    hg21       2.731  0.000   7
constraint    41 glu      ha        60 ile     hd3       2.731  0.000   6
constraint    41 glu      ha        60 ile     hd2       2.731  0.000   5
constraint    41 glu      ha        60 ile     hd1       2.731  0.000   4
constraint    42 thr      ha        60 ile     hd3       2.731  0.000   3
constraint    42 thr      ha        60 ile     hd2       2.731  0.000   2
constraint    42 thr      ha        60 ile     hd1       2.731  0.000   1
constraint    18 leu      ha        20 val       h       4.323  0.000   3
constraint    20 val       h        21 ser      ha       4.323  0.000   2
constraint    39 phe       h        41 glu      ha       4.323  0.000   1
constraint    18 leu      ha        20 val       h       4.323  0.000   1
constraint    18 leu     hb1        19 leu       h       3.846  0.000   3
constraint    18 leu     hb2        19 leu       h       3.846  0.000   2
constraint    18 leu      hg        19 leu       h       3.846  0.000   1
constraint    18 leu     hb1        19 leu       h       3.965  0.000   2
constraint    18 leu     hb2        19 leu       h       3.965  0.000   1
constraint    18 leu    hd13        19 leu       h       3.879  0.000  12
constraint    18 leu    hd12        19 leu       h       3.879  0.000  11
constraint    18 leu    hd11        19 leu       h       3.879  0.000  10
constraint    18 leu    hd23        19 leu       h       3.879  0.000   9
constraint    18 leu    hd22        19 leu       h       3.879  0.000   8
constraint    18 leu    hd21        19 leu       h       3.879  0.000   7
constraint    19 leu       h        20 val    hg13       3.879  0.000   6
constraint    19 leu       h        20 val    hg12       3.879  0.000   5
constraint    19 leu       h        20 val    hg11       3.879  0.000   4
constraint    19 leu       h        20 val    hg23       3.879  0.000   3
constraint    19 leu       h        20 val    hg22       3.879  0.000   2
constraint    19 leu       h        20 val    hg21       3.879  0.000   1
constraint    18 leu    hd13        19 leu       h       4.464  0.000  12
constraint    18 leu    hd12        19 leu       h       4.464  0.000  11
constraint    18 leu    hd11        19 leu       h       4.464  0.000  10
constraint    18 leu    hd23        19 leu       h       4.464  0.000   9
constraint    18 leu    hd22        19 leu       h       4.464  0.000   8
constraint    18 leu    hd21        19 leu       h       4.464  0.000   7
constraint    19 leu       h        20 val    hg13       4.464  0.000   6
constraint    19 leu       h        20 val    hg12       4.464  0.000   5
constraint    19 leu       h        20 val    hg11       4.464  0.000   4
constraint    19 leu       h        20 val    hg23       4.464  0.000   3
constraint    19 leu       h        20 val    hg22       4.464  0.000   2
constraint    19 leu       h        20 val    hg21       4.464  0.000   1
constraint    18 leu    hd13        22 lys     he1       3.391  0.000  33
constraint    18 leu    hd12        22 lys     he1       3.391  0.000  32
constraint    18 leu    hd11        22 lys     he1       3.391  0.000  31
constraint    18 leu    hd13        22 lys     he2       3.391  0.000  30
constraint    18 leu    hd12        22 lys     he2       3.391  0.000  29
constraint    18 leu    hd11        22 lys     he2       3.391  0.000  28
constraint    18 leu    hd23        22 lys     he1       3.391  0.000  27
constraint    18 leu    hd22        22 lys     he1       3.391  0.000  26
constraint    18 leu    hd21        22 lys     he1       3.391  0.000  25
constraint    18 leu    hd23        22 lys     he2       3.391  0.000  24
constraint    18 leu    hd22        22 lys     he2       3.391  0.000  23
constraint    18 leu    hd21        22 lys     he2       3.391  0.000  22
constraint    20 val    hg13        24 arg     hd1       3.391  0.000  21
constraint    20 val    hg12        24 arg     hd1       3.391  0.000  20
constraint    20 val    hg11        24 arg     hd1       3.391  0.000  19
constraint    20 val    hg13        24 arg     hd2       3.391  0.000  18
constraint    20 val    hg12        24 arg     hd2       3.391  0.000  17
constraint    20 val    hg11        24 arg     hd2       3.391  0.000  16
constraint    20 val    hg23        24 arg     hd1       3.391  0.000  15
constraint    20 val    hg22        24 arg     hd1       3.391  0.000  14
constraint    20 val    hg21        24 arg     hd1       3.391  0.000  13
constraint    20 val    hg23        24 arg     hd2       3.391  0.000  12
constraint    20 val    hg22        24 arg     hd2       3.391  0.000  11
constraint    20 val    hg21        24 arg     hd2       3.391  0.000  10
constraint    22 lys     he1        90 leu    hd13       3.391  0.000   9
constraint    22 lys     he1        90 leu    hd12       3.391  0.000   8
constraint    22 lys     he1        90 leu    hd11       3.391  0.000   7
constraint    24 arg     hd1        35 ile    hg23       3.391  0.000   6
constraint    24 arg     hd1        35 ile    hg22       3.391  0.000   5
constraint    24 arg     hd1        35 ile    hg21       3.391  0.000   4
constraint    24 arg     hd2        35 ile    hg23       3.391  0.000   3
constraint    24 arg     hd2        35 ile    hg22       3.391  0.000   2
constraint    24 arg     hd2        35 ile    hg21       3.391  0.000   1
constraint    18 leu    hd23        19 leu       h       4.325  0.000   9
constraint    18 leu    hd22        19 leu       h       4.325  0.000   8
constraint    18 leu    hd21        19 leu       h       4.325  0.000   7
constraint    19 leu       h        19 leu    hd13       4.325  0.000   6
constraint    19 leu       h        19 leu    hd12       4.325  0.000   5
constraint    19 leu       h        19 leu    hd11       4.325  0.000   4
constraint    19 leu       h        19 leu    hd23       4.325  0.000   3
constraint    19 leu       h        19 leu    hd22       4.325  0.000   2
constraint    19 leu       h        19 leu    hd21       4.325  0.000   1
constraint    19 leu       h        19 leu     hb1       4.127  0.000   2
constraint    19 leu       h        19 leu     hb2       4.127  0.000   1
constraint    19 leu       h        19 leu      hg       3.515  0.000   1
constraint    19 leu       h        19 leu    hd13       4.163  0.000   6
constraint    19 leu       h        19 leu    hd12       4.163  0.000   5
constraint    19 leu       h        19 leu    hd11       4.163  0.000   4
constraint    19 leu       h        19 leu    hd23       4.163  0.000   3
constraint    19 leu       h        19 leu    hd22       4.163  0.000   2
constraint    19 leu       h        19 leu    hd21       4.163  0.000   1
constraint    19 leu       h        20 val       h       3.661  0.000   1
constraint    19 leu       h        20 val      ha       8.000  0.000   1
constraint    19 leu       h        20 val    hg13       4.973  0.000  18
constraint    19 leu       h        20 val    hg12       4.973  0.000  17
constraint    19 leu       h        20 val    hg11       4.973  0.000  16
constraint    19 leu       h        20 val    hg23       4.973  0.000  15
constraint    19 leu       h        20 val    hg22       4.973  0.000  14
constraint    19 leu       h        20 val    hg21       4.973  0.000  13
constraint    19 leu       h        87 val    hg13       4.973  0.000  12
constraint    19 leu       h        87 val    hg12       4.973  0.000  11
constraint    19 leu       h        87 val    hg11       4.973  0.000  10
constraint    19 leu       h        87 val    hg23       4.973  0.000   9
constraint    19 leu       h        87 val    hg22       4.973  0.000   8
constraint    19 leu       h        87 val    hg21       4.973  0.000   7
constraint    69 arg       h        70 leu    hd13       4.973  0.000   6
constraint    69 arg       h        70 leu    hd12       4.973  0.000   5
constraint    69 arg       h        70 leu    hd11       4.973  0.000   4
constraint    69 arg       h        70 leu    hd23       4.973  0.000   3
constraint    69 arg       h        70 leu    hd22       4.973  0.000   2
constraint    69 arg       h        70 leu    hd21       4.973  0.000   1
constraint    19 leu       h        21 ser       h       5.000  0.000   1
constraint    19 leu       h        22 lys       h       6.000  0.000   1
constraint    19 leu       h        87 val      ha       6.000  0.000   3
constraint    19 leu       h        88 asp     hb1       6.000  0.000   2
constraint    19 leu       h        88 asp     hb2       6.000  0.000   1
constraint    19 leu       h        87 val    hg13       3.977  0.000  12
constraint    19 leu       h        87 val    hg12       3.977  0.000  11
constraint    19 leu       h        87 val    hg11       3.977  0.000  10
constraint    19 leu       h        87 val    hg23       3.977  0.000   9
constraint    19 leu       h        87 val    hg22       3.977  0.000   8
constraint    19 leu       h        87 val    hg21       3.977  0.000   7
constraint    69 arg       h        70 leu    hd13       3.977  0.000   6
constraint    69 arg       h        70 leu    hd12       3.977  0.000   5
constraint    69 arg       h        70 leu    hd11       3.977  0.000   4
constraint    69 arg       h        70 leu    hd23       3.977  0.000   3
constraint    69 arg       h        70 leu    hd22       3.977  0.000   2
constraint    69 arg       h        70 leu    hd21       3.977  0.000   1
constraint    19 leu      ha        19 leu    hd13       2.704  0.000  18
constraint    19 leu      ha        19 leu    hd12       2.704  0.000  17
constraint    19 leu      ha        19 leu    hd11       2.704  0.000  16
constraint    19 leu      ha        19 leu    hd23       2.704  0.000  15
constraint    19 leu      ha        19 leu    hd22       2.704  0.000  14
constraint    19 leu      ha        19 leu    hd21       2.704  0.000  13
constraint    56 leu    hd13        64 leu      ha       2.704  0.000  12
constraint    56 leu    hd12        64 leu      ha       2.704  0.000  11
constraint    56 leu    hd11        64 leu      ha       2.704  0.000  10
constraint    56 leu    hd23        64 leu      ha       2.704  0.000   9
constraint    56 leu    hd22        64 leu      ha       2.704  0.000   8
constraint    56 leu    hd21        64 leu      ha       2.704  0.000   7
constraint    64 leu      ha        76 val    hg13       2.704  0.000   6
constraint    64 leu      ha        76 val    hg12       2.704  0.000   5
constraint    64 leu      ha        76 val    hg11       2.704  0.000   4
constraint    64 leu      ha        76 val    hg23       2.704  0.000   3
constraint    64 leu      ha        76 val    hg22       2.704  0.000   2
constraint    64 leu      ha        76 val    hg21       2.704  0.000   1
constraint    19 leu      ha        20 val       h       4.257  0.000   1
constraint    19 leu      ha        21 ser       h       5.000  0.000   1
constraint    19 leu      ha        22 lys       h       4.039  0.000   1
constraint    19 leu      ha        22 lys     hd1       4.285  0.000   5
constraint    19 leu      ha        22 lys     hd2       4.285  0.000   4
constraint    64 leu      ha        68 gln     hb1       4.285  0.000   3
constraint    64 leu      ha        68 gln     hb2       4.285  0.000   2
constraint    64 leu      ha        76 val      hb       4.285  0.000   1
constraint    19 leu      ha        23 met       h       4.624  0.000   1
constraint    19 leu      ha        87 val      ha       4.422  0.000   3
constraint    19 leu      ha        88 asp     hb1       4.422  0.000   2
constraint    19 leu      ha        88 asp     hb2       4.422  0.000   1
constraint    19 leu      ha        89 gly     ha1       7.720  0.000   2
constraint    19 leu      ha        89 gly     ha2       7.720  0.000   1
constraint    19 leu     hb1        84 tyr     he1       4.237  0.000   8
constraint    19 leu     hb1        84 tyr     he2       4.237  0.000   7
constraint    19 leu     hb2        84 tyr     he1       4.237  0.000   6
constraint    19 leu     hb2        84 tyr     he2       4.237  0.000   5
constraint    58 pro     hg1        84 tyr     he1       4.237  0.000   4
constraint    58 pro     hg1        84 tyr     he2       4.237  0.000   3
constraint    58 pro     hg2        84 tyr     he1       4.237  0.000   2
constraint    58 pro     hg2        84 tyr     he2       4.237  0.000   1
constraint    19 leu     hb1        84 tyr     he1       4.545  0.000   4
constraint    19 leu     hb1        84 tyr     he2       4.545  0.000   3
constraint    19 leu     hb2        84 tyr     he1       4.545  0.000   2
constraint    19 leu     hb2        84 tyr     he2       4.545  0.000   1
constraint    19 leu     hb1        89 gly     ha1       5.000  0.000  14
constraint    19 leu     hb1        89 gly     ha2       5.000  0.000  13
constraint    19 leu     hb2        89 gly     ha1       5.000  0.000  12
constraint    19 leu     hb2        89 gly     ha2       5.000  0.000  11
constraint    36 ile    hg11        89 gly     ha1       5.000  0.000  10
constraint    36 ile    hg11        89 gly     ha2       5.000  0.000   9
constraint    36 ile    hg12        89 gly     ha1       5.000  0.000   8
constraint    36 ile    hg12        89 gly     ha2       5.000  0.000   7
constraint    83 leu     hb1        89 gly     ha1       5.000  0.000   6
constraint    83 leu     hb1        89 gly     ha2       5.000  0.000   5
constraint    83 leu     hb2        89 gly     ha1       5.000  0.000   4
constraint    83 leu     hb2        89 gly     ha2       5.000  0.000   3
constraint    89 gly     ha1        90 leu      hg       5.000  0.000   2
constraint    89 gly     ha2        90 leu      hg       5.000  0.000   1
constraint    19 leu      hg        20 val       h       4.151  0.000   1
constraint    19 leu    hd13        20 val       h       4.317  0.000  18
constraint    19 leu    hd12        20 val       h       4.317  0.000  17
constraint    19 leu    hd11        20 val       h       4.317  0.000  16
constraint    19 leu    hd13        90 leu       h       4.317  0.000  15
constraint    19 leu    hd12        90 leu       h       4.317  0.000  14
constraint    19 leu    hd11        90 leu       h       4.317  0.000  13
constraint    19 leu    hd13        91 gly       h       4.317  0.000  12
constraint    19 leu    hd12        91 gly       h       4.317  0.000  11
constraint    19 leu    hd11        91 gly       h       4.317  0.000  10
constraint    19 leu    hd23        20 val       h       4.317  0.000   9
constraint    19 leu    hd22        20 val       h       4.317  0.000   8
constraint    19 leu    hd21        20 val       h       4.317  0.000   7
constraint    19 leu    hd23        90 leu       h       4.317  0.000   6
constraint    19 leu    hd22        90 leu       h       4.317  0.000   5
constraint    19 leu    hd21        90 leu       h       4.317  0.000   4
constraint    19 leu    hd23        91 gly       h       4.317  0.000   3
constraint    19 leu    hd22        91 gly       h       4.317  0.000   2
constraint    19 leu    hd21        91 gly       h       4.317  0.000   1
constraint    19 leu    hd13        23 met     hg2       3.889  0.000   6
constraint    19 leu    hd12        23 met     hg2       3.889  0.000   5
constraint    19 leu    hd11        23 met     hg2       3.889  0.000   4
constraint    19 leu    hd23        23 met     hg2       3.889  0.000   3
constraint    19 leu    hd22        23 met     hg2       3.889  0.000   2
constraint    19 leu    hd21        23 met     hg2       3.889  0.000   1
constraint    19 leu    hd13        84 tyr      ha       3.041  0.000  21
constraint    19 leu    hd12        84 tyr      ha       3.041  0.000  20
constraint    19 leu    hd11        84 tyr      ha       3.041  0.000  19
constraint    19 leu    hd23        84 tyr      ha       3.041  0.000  18
constraint    19 leu    hd22        84 tyr      ha       3.041  0.000  17
constraint    19 leu    hd21        84 tyr      ha       3.041  0.000  16
constraint    83 leu    hd13        84 tyr      ha       3.041  0.000  15
constraint    83 leu    hd12        84 tyr      ha       3.041  0.000  14
constraint    83 leu    hd11        84 tyr      ha       3.041  0.000  13
constraint    83 leu    hd23        84 tyr      ha       3.041  0.000  12
constraint    83 leu    hd22        84 tyr      ha       3.041  0.000  11
constraint    83 leu    hd21        84 tyr      ha       3.041  0.000  10
constraint    90 leu    hd13        94 lys      ha       3.041  0.000   9
constraint    90 leu    hd12        94 lys      ha       3.041  0.000   8
constraint    90 leu    hd11        94 lys      ha       3.041  0.000   7
constraint    94 lys      ha        97 val    hg13       3.041  0.000   6
constraint    94 lys      ha        97 val    hg12       3.041  0.000   5
constraint    94 lys      ha        97 val    hg11       3.041  0.000   4
constraint    94 lys      ha        97 val    hg23       3.041  0.000   3
constraint    94 lys      ha        97 val    hg22       3.041  0.000   2
constraint    94 lys      ha        97 val    hg21       3.041  0.000   1
constraint    19 leu    hd13        84 tyr      ha       3.566  0.000   6
constraint    19 leu    hd12        84 tyr      ha       3.566  0.000   5
constraint    19 leu    hd11        84 tyr      ha       3.566  0.000   4
constraint    19 leu    hd23        84 tyr      ha       3.566  0.000   3
constraint    19 leu    hd22        84 tyr      ha       3.566  0.000   2
constraint    19 leu    hd21        84 tyr      ha       3.566  0.000   1
constraint    19 leu    hd13        84 tyr     hd1       2.905  0.000  12
constraint    19 leu    hd12        84 tyr     hd1       2.905  0.000  11
constraint    19 leu    hd11        84 tyr     hd1       2.905  0.000  10
constraint    19 leu    hd13        84 tyr     hd2       2.905  0.000   9
constraint    19 leu    hd12        84 tyr     hd2       2.905  0.000   8
constraint    19 leu    hd11        84 tyr     hd2       2.905  0.000   7
constraint    19 leu    hd23        84 tyr     hd1       2.905  0.000   6
constraint    19 leu    hd22        84 tyr     hd1       2.905  0.000   5
constraint    19 leu    hd21        84 tyr     hd1       2.905  0.000   4
constraint    19 leu    hd23        84 tyr     hd2       2.905  0.000   3
constraint    19 leu    hd22        84 tyr     hd2       2.905  0.000   2
constraint    19 leu    hd21        84 tyr     hd2       2.905  0.000   1
constraint    19 leu    hd13        84 tyr     hd1       4.197  0.000   6
constraint    19 leu    hd12        84 tyr     hd1       4.197  0.000   5
constraint    19 leu    hd11        84 tyr     hd1       4.197  0.000   4
constraint    19 leu    hd13        84 tyr     hd2       4.197  0.000   3
constraint    19 leu    hd12        84 tyr     hd2       4.197  0.000   2
constraint    19 leu    hd11        84 tyr     hd2       4.197  0.000   1
constraint    19 leu    hd13        84 tyr     he1       3.264  0.000  12
constraint    19 leu    hd12        84 tyr     he1       3.264  0.000  11
constraint    19 leu    hd11        84 tyr     he1       3.264  0.000  10
constraint    19 leu    hd13        84 tyr     he2       3.264  0.000   9
constraint    19 leu    hd12        84 tyr     he2       3.264  0.000   8
constraint    19 leu    hd11        84 tyr     he2       3.264  0.000   7
constraint    19 leu    hd23        84 tyr     he1       3.264  0.000   6
constraint    19 leu    hd22        84 tyr     he1       3.264  0.000   5
constraint    19 leu    hd21        84 tyr     he1       3.264  0.000   4
constraint    19 leu    hd23        84 tyr     he2       3.264  0.000   3
constraint    19 leu    hd22        84 tyr     he2       3.264  0.000   2
constraint    19 leu    hd21        84 tyr     he2       3.264  0.000   1
constraint    19 leu    hd13        84 tyr     he1       3.278  0.000  12
constraint    19 leu    hd12        84 tyr     he1       3.278  0.000  11
constraint    19 leu    hd11        84 tyr     he1       3.278  0.000  10
constraint    19 leu    hd13        84 tyr     he2       3.278  0.000   9
constraint    19 leu    hd12        84 tyr     he2       3.278  0.000   8
constraint    19 leu    hd11        84 tyr     he2       3.278  0.000   7
constraint    19 leu    hd23        84 tyr     he1       3.278  0.000   6
constraint    19 leu    hd22        84 tyr     he1       3.278  0.000   5
constraint    19 leu    hd21        84 tyr     he1       3.278  0.000   4
constraint    19 leu    hd23        84 tyr     he2       3.278  0.000   3
constraint    19 leu    hd22        84 tyr     he2       3.278  0.000   2
constraint    19 leu    hd21        84 tyr     he2       3.278  0.000   1
constraint    19 leu    hd13        84 tyr     he1       6.000  0.000   6
constraint    19 leu    hd12        84 tyr     he1       6.000  0.000   5
constraint    19 leu    hd11        84 tyr     he1       6.000  0.000   4
constraint    19 leu    hd13        84 tyr     he2       6.000  0.000   3
constraint    19 leu    hd12        84 tyr     he2       6.000  0.000   2
constraint    19 leu    hd11        84 tyr     he2       6.000  0.000   1
constraint    19 leu    hd13        87 val       h       4.111  0.000   6
constraint    19 leu    hd12        87 val       h       4.111  0.000   5
constraint    19 leu    hd11        87 val       h       4.111  0.000   4
constraint    19 leu    hd23        87 val       h       4.111  0.000   3
constraint    19 leu    hd22        87 val       h       4.111  0.000   2
constraint    19 leu    hd21        87 val       h       4.111  0.000   1
constraint    19 leu    hd13        87 val      ha       3.104  0.000  18
constraint    19 leu    hd12        87 val      ha       3.104  0.000  17
constraint    19 leu    hd11        87 val      ha       3.104  0.000  16
constraint    19 leu    hd13        88 asp     hb1       3.104  0.000  15
constraint    19 leu    hd12        88 asp     hb1       3.104  0.000  14
constraint    19 leu    hd11        88 asp     hb1       3.104  0.000  13
constraint    19 leu    hd13        88 asp     hb2       3.104  0.000  12
constraint    19 leu    hd12        88 asp     hb2       3.104  0.000  11
constraint    19 leu    hd11        88 asp     hb2       3.104  0.000  10
constraint    19 leu    hd23        87 val      ha       3.104  0.000   9
constraint    19 leu    hd22        87 val      ha       3.104  0.000   8
constraint    19 leu    hd21        87 val      ha       3.104  0.000   7
constraint    19 leu    hd23        88 asp     hb1       3.104  0.000   6
constraint    19 leu    hd22        88 asp     hb1       3.104  0.000   5
constraint    19 leu    hd21        88 asp     hb1       3.104  0.000   4
constraint    19 leu    hd23        88 asp     hb2       3.104  0.000   3
constraint    19 leu    hd22        88 asp     hb2       3.104  0.000   2
constraint    19 leu    hd21        88 asp     hb2       3.104  0.000   1
constraint    19 leu    hd13        87 val      hb       3.686  0.000  18
constraint    19 leu    hd12        87 val      hb       3.686  0.000  17
constraint    19 leu    hd11        87 val      hb       3.686  0.000  16
constraint    19 leu    hd23        87 val      hb       3.686  0.000  15
constraint    19 leu    hd22        87 val      hb       3.686  0.000  14
constraint    19 leu    hd21        87 val      hb       3.686  0.000  13
constraint    68 gln     hg1        76 val    hg13       3.686  0.000  12
constraint    68 gln     hg1        76 val    hg12       3.686  0.000  11
constraint    68 gln     hg1        76 val    hg11       3.686  0.000  10
constraint    68 gln     hg1        76 val    hg23       3.686  0.000   9
constraint    68 gln     hg1        76 val    hg22       3.686  0.000   8
constraint    68 gln     hg1        76 val    hg21       3.686  0.000   7
constraint    68 gln     hg2        76 val    hg13       3.686  0.000   6
constraint    68 gln     hg2        76 val    hg12       3.686  0.000   5
constraint    68 gln     hg2        76 val    hg11       3.686  0.000   4
constraint    68 gln     hg2        76 val    hg23       3.686  0.000   3
constraint    68 gln     hg2        76 val    hg22       3.686  0.000   2
constraint    68 gln     hg2        76 val    hg21       3.686  0.000   1
constraint    19 leu    hd13        88 asp      ha       4.366  0.000  12
constraint    19 leu    hd12        88 asp      ha       4.366  0.000  11
constraint    19 leu    hd11        88 asp      ha       4.366  0.000  10
constraint    19 leu    hd23        88 asp      ha       4.366  0.000   9
constraint    19 leu    hd22        88 asp      ha       4.366  0.000   8
constraint    19 leu    hd21        88 asp      ha       4.366  0.000   7
constraint    75 pro      ha        76 val    hg13       4.366  0.000   6
constraint    75 pro      ha        76 val    hg12       4.366  0.000   5
constraint    75 pro      ha        76 val    hg11       4.366  0.000   4
constraint    75 pro      ha        76 val    hg23       4.366  0.000   3
constraint    75 pro      ha        76 val    hg22       4.366  0.000   2
constraint    75 pro      ha        76 val    hg21       4.366  0.000   1
constraint    19 leu    hd13        89 gly       h       4.002  0.000   6
constraint    19 leu    hd12        89 gly       h       4.002  0.000   5
constraint    19 leu    hd11        89 gly       h       4.002  0.000   4
constraint    19 leu    hd23        89 gly       h       4.002  0.000   3
constraint    19 leu    hd22        89 gly       h       4.002  0.000   2
constraint    19 leu    hd21        89 gly       h       4.002  0.000   1
constraint    19 leu    hd13        89 gly     ha1       3.718  0.000  12
constraint    19 leu    hd12        89 gly     ha1       3.718  0.000  11
constraint    19 leu    hd11        89 gly     ha1       3.718  0.000  10
constraint    19 leu    hd13        89 gly     ha2       3.718  0.000   9
constraint    19 leu    hd12        89 gly     ha2       3.718  0.000   8
constraint    19 leu    hd11        89 gly     ha2       3.718  0.000   7
constraint    19 leu    hd23        89 gly     ha1       3.718  0.000   6
constraint    19 leu    hd22        89 gly     ha1       3.718  0.000   5
constraint    19 leu    hd21        89 gly     ha1       3.718  0.000   4
constraint    19 leu    hd23        89 gly     ha2       3.718  0.000   3
constraint    19 leu    hd22        89 gly     ha2       3.718  0.000   2
constraint    19 leu    hd21        89 gly     ha2       3.718  0.000   1
constraint    19 leu    hd13        92 val    hg13       3.104  0.000  36
constraint    19 leu    hd13        92 val    hg12       3.104  0.000  35
constraint    19 leu    hd13        92 val    hg11       3.104  0.000  34
constraint    19 leu    hd12        92 val    hg13       3.104  0.000  33
constraint    19 leu    hd12        92 val    hg12       3.104  0.000  32
constraint    19 leu    hd12        92 val    hg11       3.104  0.000  31
constraint    19 leu    hd11        92 val    hg13       3.104  0.000  30
constraint    19 leu    hd11        92 val    hg12       3.104  0.000  29
constraint    19 leu    hd11        92 val    hg11       3.104  0.000  28
constraint    19 leu    hd13        92 val    hg23       3.104  0.000  27
constraint    19 leu    hd13        92 val    hg22       3.104  0.000  26
constraint    19 leu    hd13        92 val    hg21       3.104  0.000  25
constraint    19 leu    hd12        92 val    hg23       3.104  0.000  24
constraint    19 leu    hd12        92 val    hg22       3.104  0.000  23
constraint    19 leu    hd12        92 val    hg21       3.104  0.000  22
constraint    19 leu    hd11        92 val    hg23       3.104  0.000  21
constraint    19 leu    hd11        92 val    hg22       3.104  0.000  20
constraint    19 leu    hd11        92 val    hg21       3.104  0.000  19
constraint    19 leu    hd23        92 val    hg13       3.104  0.000  18
constraint    19 leu    hd23        92 val    hg12       3.104  0.000  17
constraint    19 leu    hd23        92 val    hg11       3.104  0.000  16
constraint    19 leu    hd22        92 val    hg13       3.104  0.000  15
constraint    19 leu    hd22        92 val    hg12       3.104  0.000  14
constraint    19 leu    hd22        92 val    hg11       3.104  0.000  13
constraint    19 leu    hd21        92 val    hg13       3.104  0.000  12
constraint    19 leu    hd21        92 val    hg12       3.104  0.000  11
constraint    19 leu    hd21        92 val    hg11       3.104  0.000  10
constraint    19 leu    hd23        92 val    hg23       3.104  0.000   9
constraint    19 leu    hd23        92 val    hg22       3.104  0.000   8
constraint    19 leu    hd23        92 val    hg21       3.104  0.000   7
constraint    19 leu    hd22        92 val    hg23       3.104  0.000   6
constraint    19 leu    hd22        92 val    hg22       3.104  0.000   5
constraint    19 leu    hd22        92 val    hg21       3.104  0.000   4
constraint    19 leu    hd21        92 val    hg23       3.104  0.000   3
constraint    19 leu    hd21        92 val    hg22       3.104  0.000   2
constraint    19 leu    hd21        92 val    hg21       3.104  0.000   1
constraint    19 leu    hd23        84 tyr     hd1       4.197  0.000   6
constraint    19 leu    hd22        84 tyr     hd1       4.197  0.000   5
constraint    19 leu    hd21        84 tyr     hd1       4.197  0.000   4
constraint    19 leu    hd23        84 tyr     hd2       4.197  0.000   3
constraint    19 leu    hd22        84 tyr     hd2       4.197  0.000   2
constraint    19 leu    hd21        84 tyr     hd2       4.197  0.000   1
constraint    19 leu    hd23        84 tyr     he1       6.000  0.000   6
constraint    19 leu    hd22        84 tyr     he1       6.000  0.000   5
constraint    19 leu    hd21        84 tyr     he1       6.000  0.000   4
constraint    19 leu    hd23        84 tyr     he2       6.000  0.000   3
constraint    19 leu    hd22        84 tyr     he2       6.000  0.000   2
constraint    19 leu    hd21        84 tyr     he2       6.000  0.000   1
constraint    20 val       h        20 val      hb       3.119  0.000   1
constraint    20 val       h        20 val    hg13       3.604  0.000   6
constraint    20 val       h        20 val    hg12       3.604  0.000   5
constraint    20 val       h        20 val    hg11       3.604  0.000   4
constraint    20 val       h        20 val    hg23       3.604  0.000   3
constraint    20 val       h        20 val    hg22       3.604  0.000   2
constraint    20 val       h        20 val    hg21       3.604  0.000   1
constraint    20 val       h        21 ser       h       3.529  0.000   1
constraint    20 val       h        23 met       h       5.000  0.000   1
constraint    20 val      ha        20 val      hb       3.309  0.000   3
constraint    20 val      ha        23 met     hb1       3.309  0.000   2
constraint    20 val      ha        23 met     hb2       3.309  0.000   1
constraint    20 val      ha        21 ser      ha       4.616  0.000   1
constraint    20 val      ha        22 lys       h       4.874  0.000   1
constraint    20 val      ha        23 met       h       3.859  0.000   1
constraint    20 val      ha        23 met     hb1       3.518  0.000   2
constraint    20 val      ha        23 met     hb2       3.518  0.000   1
constraint    20 val      ha        23 met     hg1       4.771  0.000   1
constraint    20 val      ha        23 met     hg2       4.400  0.000   1
constraint    20 val      ha        23 met     he3       4.147  0.000   4
constraint    20 val      ha        23 met     he2       4.147  0.000   3
constraint    20 val      ha        23 met     he1       4.147  0.000   2
constraint    20 val      ha        24 arg     hg2       4.147  0.000   1
constraint    20 val      ha        24 arg       h       4.310  0.000   1
constraint    20 val      ha        24 arg      he       7.000  0.000   1
constraint    20 val      ha        36 ile      ha       5.000  0.000   1
constraint    20 val      ha        36 ile    hg23       3.643  0.000   3
constraint    20 val      ha        36 ile    hg22       3.643  0.000   2
constraint    20 val      ha        36 ile    hg21       3.643  0.000   1
constraint    20 val      ha        38 ala     hb3       4.812  0.000   9
constraint    20 val      ha        38 ala     hb2       4.812  0.000   8
constraint    20 val      ha        38 ala     hb1       4.812  0.000   7
constraint    20 val      ha        92 val    hg13       4.812  0.000   6
constraint    20 val      ha        92 val    hg12       4.812  0.000   5
constraint    20 val      ha        92 val    hg11       4.812  0.000   4
constraint    20 val      ha        92 val    hg23       4.812  0.000   3
constraint    20 val      ha        92 val    hg22       4.812  0.000   2
constraint    20 val      ha        92 val    hg21       4.812  0.000   1
constraint    20 val      hb        21 ser       h       3.342  0.000   1
constraint    20 val      hb        36 ile      ha       5.000  0.000  11
constraint    23 met     hb1        36 ile      ha       5.000  0.000  10
constraint    23 met     hb2        36 ile      ha       5.000  0.000   9
constraint    31 glu     hb1        34 val      ha       5.000  0.000   8
constraint    31 glu     hb2        34 val      ha       5.000  0.000   7
constraint    31 glu     hg2        34 val      ha       5.000  0.000   6
constraint    33 pro     hg1        34 val      ha       5.000  0.000   5
constraint    33 pro     hg1        36 ile      ha       5.000  0.000   4
constraint    33 pro     hg2        34 val      ha       5.000  0.000   3
constraint    33 pro     hg2        36 ile      ha       5.000  0.000   2
constraint    36 ile      ha        93 leu      hg       5.000  0.000   1
constraint    20 val    hg13        21 ser       h       3.640  0.000   6
constraint    20 val    hg12        21 ser       h       3.640  0.000   5
constraint    20 val    hg11        21 ser       h       3.640  0.000   4
constraint    20 val    hg23        21 ser       h       3.640  0.000   3
constraint    20 val    hg22        21 ser       h       3.640  0.000   2
constraint    20 val    hg21        21 ser       h       3.640  0.000   1
constraint    20 val    hg13        23 met       h       4.031  0.000  24
constraint    20 val    hg12        23 met       h       4.031  0.000  23
constraint    20 val    hg11        23 met       h       4.031  0.000  22
constraint    20 val    hg23        23 met       h       4.031  0.000  21
constraint    20 val    hg22        23 met       h       4.031  0.000  20
constraint    20 val    hg21        23 met       h       4.031  0.000  19
constraint    54 val    hg13        56 leu       h       4.031  0.000  18
constraint    54 val    hg12        56 leu       h       4.031  0.000  17
constraint    54 val    hg11        56 leu       h       4.031  0.000  16
constraint    54 val    hg23        56 leu       h       4.031  0.000  15
constraint    54 val    hg22        56 leu       h       4.031  0.000  14
constraint    54 val    hg21        56 leu       h       4.031  0.000  13
constraint    56 leu       h        64 leu    hd13       4.031  0.000  12
constraint    56 leu       h        64 leu    hd12       4.031  0.000  11
constraint    56 leu       h        64 leu    hd11       4.031  0.000  10
constraint    56 leu       h        64 leu    hd23       4.031  0.000   9
constraint    56 leu       h        64 leu    hd22       4.031  0.000   8
constraint    56 leu       h        64 leu    hd21       4.031  0.000   7
constraint    56 leu       h        78 val    hg13       4.031  0.000   6
constraint    56 leu       h        78 val    hg12       4.031  0.000   5
constraint    56 leu       h        78 val    hg11       4.031  0.000   4
constraint    56 leu       h        78 val    hg23       4.031  0.000   3
constraint    56 leu       h        78 val    hg22       4.031  0.000   2
constraint    56 leu       h        78 val    hg21       4.031  0.000   1
constraint    20 val    hg13        24 arg     hd1       3.663  0.000  30
constraint    20 val    hg12        24 arg     hd1       3.663  0.000  29
constraint    20 val    hg11        24 arg     hd1       3.663  0.000  28
constraint    20 val    hg13        24 arg     hd2       3.663  0.000  27
constraint    20 val    hg12        24 arg     hd2       3.663  0.000  26
constraint    20 val    hg11        24 arg     hd2       3.663  0.000  25
constraint    20 val    hg23        24 arg     hd1       3.663  0.000  24
constraint    20 val    hg22        24 arg     hd1       3.663  0.000  23
constraint    20 val    hg21        24 arg     hd1       3.663  0.000  22
constraint    20 val    hg23        24 arg     hd2       3.663  0.000  21
constraint    20 val    hg22        24 arg     hd2       3.663  0.000  20
constraint    20 val    hg21        24 arg     hd2       3.663  0.000  19
constraint    22 lys     he1        87 val    hg13       3.663  0.000  18
constraint    22 lys     he1        87 val    hg12       3.663  0.000  17
constraint    22 lys     he1        87 val    hg11       3.663  0.000  16
constraint    22 lys     he1        87 val    hg23       3.663  0.000  15
constraint    22 lys     he1        87 val    hg22       3.663  0.000  14
constraint    22 lys     he1        87 val    hg21       3.663  0.000  13
constraint    22 lys     he2        87 val    hg13       3.663  0.000  12
constraint    22 lys     he2        87 val    hg12       3.663  0.000  11
constraint    22 lys     he2        87 val    hg11       3.663  0.000  10
constraint    22 lys     he2        87 val    hg23       3.663  0.000   9
constraint    22 lys     he2        87 val    hg22       3.663  0.000   8
constraint    22 lys     he2        87 val    hg21       3.663  0.000   7
constraint    24 arg     hd1        36 ile     hd3       3.663  0.000   6
constraint    24 arg     hd1        36 ile     hd2       3.663  0.000   5
constraint    24 arg     hd1        36 ile     hd1       3.663  0.000   4
constraint    24 arg     hd2        36 ile     hd3       3.663  0.000   3
constraint    24 arg     hd2        36 ile     hd2       3.663  0.000   2
constraint    24 arg     hd2        36 ile     hd1       3.663  0.000   1
constraint    20 val    hg13        24 arg     hd1       4.274  0.000  18
constraint    20 val    hg12        24 arg     hd1       4.274  0.000  17
constraint    20 val    hg11        24 arg     hd1       4.274  0.000  16
constraint    20 val    hg13        24 arg     hd2       4.274  0.000  15
constraint    20 val    hg12        24 arg     hd2       4.274  0.000  14
constraint    20 val    hg11        24 arg     hd2       4.274  0.000  13
constraint    20 val    hg23        24 arg     hd1       4.274  0.000  12
constraint    20 val    hg22        24 arg     hd1       4.274  0.000  11
constraint    20 val    hg21        24 arg     hd1       4.274  0.000  10
constraint    20 val    hg23        24 arg     hd2       4.274  0.000   9
constraint    20 val    hg22        24 arg     hd2       4.274  0.000   8
constraint    20 val    hg21        24 arg     hd2       4.274  0.000   7
constraint    24 arg     hd1        36 ile     hd3       4.274  0.000   6
constraint    24 arg     hd1        36 ile     hd2       4.274  0.000   5
constraint    24 arg     hd1        36 ile     hd1       4.274  0.000   4
constraint    24 arg     hd2        36 ile     hd3       4.274  0.000   3
constraint    24 arg     hd2        36 ile     hd2       4.274  0.000   2
constraint    24 arg     hd2        36 ile     hd1       4.274  0.000   1
constraint    20 val    hg13        24 arg      he       3.695  0.000   9
constraint    20 val    hg12        24 arg      he       3.695  0.000   8
constraint    20 val    hg11        24 arg      he       3.695  0.000   7
constraint    20 val    hg23        24 arg      he       3.695  0.000   6
constraint    20 val    hg22        24 arg      he       3.695  0.000   5
constraint    20 val    hg21        24 arg      he       3.695  0.000   4
constraint    24 arg      he        36 ile     hd3       3.695  0.000   3
constraint    24 arg      he        36 ile     hd2       3.695  0.000   2
constraint    24 arg      he        36 ile     hd1       3.695  0.000   1
constraint    20 val    hg13        38 ala       h       3.698  0.000   6
constraint    20 val    hg12        38 ala       h       3.698  0.000   5
constraint    20 val    hg11        38 ala       h       3.698  0.000   4
constraint    20 val    hg23        38 ala       h       3.698  0.000   3
constraint    20 val    hg22        38 ala       h       3.698  0.000   2
constraint    20 val    hg21        38 ala       h       3.698  0.000   1
constraint    20 val    hg13        38 ala       h       4.266  0.000   3
constraint    20 val    hg12        38 ala       h       4.266  0.000   2
constraint    20 val    hg11        38 ala       h       4.266  0.000   1
constraint    20 val    hg13        38 ala      ha       4.592  0.000   6
constraint    20 val    hg12        38 ala      ha       4.592  0.000   5
constraint    20 val    hg11        38 ala      ha       4.592  0.000   4
constraint    20 val    hg23        38 ala      ha       4.592  0.000   3
constraint    20 val    hg22        38 ala      ha       4.592  0.000   2
constraint    20 val    hg21        38 ala      ha       4.592  0.000   1
constraint    20 val    hg23        38 ala       h       4.266  0.000   3
constraint    20 val    hg22        38 ala       h       4.266  0.000   2
constraint    20 val    hg21        38 ala       h       4.266  0.000   1
constraint    21 ser       h        21 ser     hb1       3.881  0.000   3
constraint    21 ser       h        21 ser     hb2       3.881  0.000   2
constraint    99 ala      ha       102 lys       h       3.881  0.000   1
constraint    21 ser       h        21 ser     hb1       3.027  0.000   3
constraint    21 ser       h        21 ser     hb2       3.027  0.000   2
constraint   102 lys       h       102 lys      ha       3.027  0.000   1
constraint    21 ser       h        21 ser     hb1       2.967  0.000   2
constraint    21 ser       h        21 ser     hb2       2.967  0.000   1
constraint    21 ser       h        22 lys       h       3.449  0.000   1
constraint    21 ser       h        23 met       h       4.912  0.000   1
constraint    21 ser       h        24 arg       h       5.000  0.000   1
constraint    21 ser      ha        22 lys       h       3.828  0.000   3
constraint    21 ser     hb1        22 lys       h       3.828  0.000   2
constraint    21 ser     hb2        22 lys       h       3.828  0.000   1
constraint    21 ser      ha        23 met       h       4.963  0.000   1
constraint    21 ser      ha        24 arg       h       3.974  0.000   1
constraint    21 ser      ha        24 arg     hd1       3.789  0.000   6
constraint    21 ser      ha        24 arg     hd2       3.789  0.000   5
constraint    21 ser     hb1        24 arg     hd1       3.789  0.000   4
constraint    21 ser     hb1        24 arg     hd2       3.789  0.000   3
constraint    21 ser     hb2        24 arg     hd1       3.789  0.000   2
constraint    21 ser     hb2        24 arg     hd2       3.789  0.000   1
constraint    21 ser      ha        24 arg     hd1       4.052  0.000   4
constraint    21 ser      ha        24 arg     hd2       4.052  0.000   3
constraint    66 glu      ha        69 arg     hd1       4.052  0.000   2
constraint    66 glu      ha        69 arg     hd2       4.052  0.000   1
constraint    21 ser      ha        24 arg      he       5.000  0.000   3
constraint    21 ser     hb1        24 arg      he       5.000  0.000   2
constraint    21 ser     hb2        24 arg      he       5.000  0.000   1
constraint    21 ser      ha        25 ala       h       4.401  0.000   1
constraint    21 ser     hb1        22 lys       h       3.442  0.000   2
constraint    21 ser     hb2        22 lys       h       3.442  0.000   1
constraint    21 ser     hb1        23 met       h       5.000  0.000   3
constraint    21 ser     hb2        23 met       h       5.000  0.000   2
constraint    23 met       h        90 leu      ha       5.000  0.000   1
constraint    21 ser     hb1        24 arg       h       6.000  0.000   2
constraint    21 ser     hb2        24 arg       h       6.000  0.000   1
constraint    21 ser     hb1        24 arg     hd1       4.834  0.000   4
constraint    21 ser     hb1        24 arg     hd2       4.834  0.000   3
constraint    21 ser     hb2        24 arg     hd1       4.834  0.000   2
constraint    21 ser     hb2        24 arg     hd2       4.834  0.000   1
constraint    21 ser     hb1        25 ala       h       5.000  0.000   2
constraint    21 ser     hb2        25 ala       h       5.000  0.000   1
constraint    22 lys       h        22 lys      ha       3.350  0.000   1
constraint    22 lys       h        22 lys     hb1       3.332  0.000   5
constraint    22 lys       h        22 lys     hb2       3.332  0.000   4
constraint    83 leu      hg        88 asp       h       3.332  0.000   3
constraint    86 lys     hb1        88 asp       h       3.332  0.000   2
constraint    86 lys     hb2        88 asp       h       3.332  0.000   1
constraint    22 lys       h        22 lys     hb1       3.540  0.000   2
constraint    22 lys       h        22 lys     hb2       3.540  0.000   1
constraint    22 lys       h        22 lys     he1       4.410  0.000   4
constraint    22 lys       h        22 lys     he2       4.410  0.000   3
constraint    22 lys       h        24 arg     hd1       4.410  0.000   2
constraint    22 lys       h        24 arg     hd2       4.410  0.000   1
constraint    22 lys       h        23 met       h       3.000  0.000   1
constraint    22 lys       h        23 met       h       3.483  0.000   1
constraint    22 lys       h        23 met      ha       6.000  0.000   1
constraint    22 lys       h        23 met     hg1       5.000  0.000   5
constraint    22 lys       h        29 lys     he1       5.000  0.000   4
constraint    23 met     hg1        88 asp       h       5.000  0.000   3
constraint    80 asp     hb1        88 asp       h       5.000  0.000   2
constraint    80 asp     hb2        88 asp       h       5.000  0.000   1
constraint    22 lys       h        23 met     hg2       5.000  0.000   4
constraint    22 lys       h        29 lys     he2       5.000  0.000   3
constraint    23 met     hg2        88 asp       h       5.000  0.000   2
constraint    29 lys     he2        88 asp       h       5.000  0.000   1
constraint    22 lys       h        89 gly     ha1       4.979  0.000   2
constraint    22 lys       h        89 gly     ha2       4.979  0.000   1
constraint    22 lys      ha        22 lys     he1       4.463  0.000  10
constraint    22 lys      ha        22 lys     he2       4.463  0.000   9
constraint    22 lys      ha        24 arg     hd1       4.463  0.000   8
constraint    22 lys      ha        24 arg     hd2       4.463  0.000   7
constraint    22 lys     he1        26 gln      ha       4.463  0.000   6
constraint    22 lys     he1        86 lys      ha       4.463  0.000   5
constraint    22 lys     he2        26 gln      ha       4.463  0.000   4
constraint    22 lys     he2        86 lys      ha       4.463  0.000   3
constraint    24 arg     hd1        35 ile      ha       4.463  0.000   2
constraint    24 arg     hd2        35 ile      ha       4.463  0.000   1
constraint    22 lys      ha        23 met       h       5.000  0.000   1
constraint    22 lys      ha        87 val      hb       4.908  0.000   2
constraint    86 lys      ha        87 val      hb       4.908  0.000   1
constraint    22 lys      ha        87 val    hg13       3.271  0.000  24
constraint    22 lys      ha        87 val    hg12       3.271  0.000  23
constraint    22 lys      ha        87 val    hg11       3.271  0.000  22
constraint    22 lys      ha        87 val    hg23       3.271  0.000  21
constraint    22 lys      ha        87 val    hg22       3.271  0.000  20
constraint    22 lys      ha        87 val    hg21       3.271  0.000  19
constraint    34 val    hg13        35 ile      ha       3.271  0.000  18
constraint    34 val    hg12        35 ile      ha       3.271  0.000  17
constraint    34 val    hg11        35 ile      ha       3.271  0.000  16
constraint    34 val    hg23        35 ile      ha       3.271  0.000  15
constraint    34 val    hg22        35 ile      ha       3.271  0.000  14
constraint    34 val    hg21        35 ile      ha       3.271  0.000  13
constraint    35 ile      ha        35 ile     hd3       3.271  0.000  12
constraint    35 ile      ha        35 ile     hd2       3.271  0.000  11
constraint    35 ile      ha        35 ile     hd1       3.271  0.000  10
constraint    35 ile      ha        36 ile     hd3       3.271  0.000   9
constraint    35 ile      ha        36 ile     hd2       3.271  0.000   8
constraint    35 ile      ha        36 ile     hd1       3.271  0.000   7
constraint    86 lys      ha        87 val    hg13       3.271  0.000   6
constraint    86 lys      ha        87 val    hg12       3.271  0.000   5
constraint    86 lys      ha        87 val    hg11       3.271  0.000   4
constraint    86 lys      ha        87 val    hg23       3.271  0.000   3
constraint    86 lys      ha        87 val    hg22       3.271  0.000   2
constraint    86 lys      ha        87 val    hg21       3.271  0.000   1
constraint    22 lys      ha        89 gly     ha1       4.814  0.000   2
constraint    22 lys      ha        89 gly     ha2       4.814  0.000   1
constraint    22 lys     hb1        22 lys     he1       4.385  0.000   4
constraint    22 lys     hb1        22 lys     he2       4.385  0.000   3
constraint    22 lys     hb2        22 lys     he1       4.385  0.000   2
constraint    22 lys     hb2        22 lys     he2       4.385  0.000   1
constraint    22 lys     hb1        23 met       h       3.706  0.000   2
constraint    22 lys     hb2        23 met       h       3.706  0.000   1
constraint    22 lys     hb1        89 gly     ha1       3.739  0.000   8
constraint    22 lys     hb1        89 gly     ha2       3.739  0.000   7
constraint    22 lys     hb2        89 gly     ha1       3.739  0.000   6
constraint    22 lys     hb2        89 gly     ha2       3.739  0.000   5
constraint    23 met     hb1        89 gly     ha1       3.739  0.000   4
constraint    23 met     hb1        89 gly     ha2       3.739  0.000   3
constraint    23 met     hb2        89 gly     ha1       3.739  0.000   2
constraint    23 met     hb2        89 gly     ha2       3.739  0.000   1
constraint    22 lys     hb1        89 gly     ha1       3.724  0.000   4
constraint    22 lys     hb1        89 gly     ha2       3.724  0.000   3
constraint    22 lys     hb2        89 gly     ha1       3.724  0.000   2
constraint    22 lys     hb2        89 gly     ha2       3.724  0.000   1
constraint    22 lys     hg1        22 lys     he1       3.240  0.000   4
constraint    22 lys     hg1        22 lys     he2       3.240  0.000   3
constraint    22 lys     hg2        22 lys     he1       3.240  0.000   2
constraint    22 lys     hg2        22 lys     he2       3.240  0.000   1
constraint    22 lys     hg1        22 lys     he1       3.652  0.000   2
constraint    22 lys     hg1        22 lys     he2       3.652  0.000   1
constraint    22 lys     hg1        23 met       h       4.095  0.000   2
constraint    22 lys     hg2        23 met       h       4.095  0.000   1
constraint    22 lys     hg1        26 gln    he21       4.049  0.000  10
constraint    22 lys     hg1        26 gln    he22       4.049  0.000   9
constraint    22 lys     hg2        26 gln    he21       4.049  0.000   8
constraint    22 lys     hg2        26 gln    he22       4.049  0.000   7
constraint    25 ala     hb3        26 gln    he21       4.049  0.000   6
constraint    25 ala     hb2        26 gln    he21       4.049  0.000   5
constraint    25 ala     hb1        26 gln    he21       4.049  0.000   4
constraint    25 ala     hb3        26 gln    he22       4.049  0.000   3
constraint    25 ala     hb2        26 gln    he22       4.049  0.000   2
constraint    25 ala     hb1        26 gln    he22       4.049  0.000   1
constraint    22 lys     hg1        26 gln    he21       4.866  0.000   5
constraint    22 lys     hg2        26 gln    he21       4.866  0.000   4
constraint    25 ala     hb3        26 gln    he21       4.866  0.000   3
constraint    25 ala     hb2        26 gln    he21       4.866  0.000   2
constraint    25 ala     hb1        26 gln    he21       4.866  0.000   1
constraint    22 lys     hg1        26 gln    he22       4.866  0.000   5
constraint    22 lys     hg2        26 gln    he22       4.866  0.000   4
constraint    25 ala     hb3        26 gln    he22       4.866  0.000   3
constraint    25 ala     hb2        26 gln    he22       4.866  0.000   2
constraint    25 ala     hb1        26 gln    he22       4.866  0.000   1
constraint    22 lys     hg1        27 ala       h       4.165  0.000  12
constraint    22 lys     hg2        27 ala       h       4.165  0.000  11
constraint    25 ala     hb3        27 ala       h       4.165  0.000  10
constraint    25 ala     hb2        27 ala       h       4.165  0.000   9
constraint    25 ala     hb1        27 ala       h       4.165  0.000   8
constraint    56 leu     hb1        68 gln       h       4.165  0.000   7
constraint    56 leu     hb2        68 gln       h       4.165  0.000   6
constraint    56 leu      hg        68 gln       h       4.165  0.000   5
constraint    68 gln       h        74 lys     hd1       4.165  0.000   4
constraint    68 gln       h        74 lys     hd2       4.165  0.000   3
constraint    73 asn       h        74 lys     hd1       4.165  0.000   2
constraint    73 asn       h        74 lys     hd2       4.165  0.000   1
constraint    22 lys     hg1        89 gly       h       4.243  0.000   3
constraint    22 lys     hg2        89 gly       h       4.243  0.000   2
constraint    28 glu       h        29 lys     hb2       4.243  0.000   1
constraint    22 lys     hg1        89 gly       h       4.378  0.000   2
constraint    22 lys     hg2        89 gly       h       4.378  0.000   1
constraint    22 lys     hg1        89 gly     ha1       4.566  0.000  10
constraint    22 lys     hg1        89 gly     ha2       4.566  0.000   9
constraint    22 lys     hg2        89 gly     ha1       4.566  0.000   8
constraint    22 lys     hg2        89 gly     ha2       4.566  0.000   7
constraint    23 met     he3        89 gly     ha1       4.566  0.000   6
constraint    23 met     he2        89 gly     ha1       4.566  0.000   5
constraint    23 met     he1        89 gly     ha1       4.566  0.000   4
constraint    23 met     he3        89 gly     ha2       4.566  0.000   3
constraint    23 met     he2        89 gly     ha2       4.566  0.000   2
constraint    23 met     he1        89 gly     ha2       4.566  0.000   1
constraint    22 lys     hg1        89 gly     ha1       5.000  0.000   4
constraint    22 lys     hg1        89 gly     ha2       5.000  0.000   3
constraint    22 lys     hg2        89 gly     ha1       5.000  0.000   2
constraint    22 lys     hg2        89 gly     ha2       5.000  0.000   1
constraint    22 lys     hg2        22 lys     he1       3.652  0.000   2
constraint    22 lys     hg2        22 lys     he2       3.652  0.000   1
constraint    22 lys     hd1        23 met       h       4.361  0.000   4
constraint    22 lys     hd2        23 met       h       4.361  0.000   3
constraint    23 met       h        24 arg     hg2       4.361  0.000   2
constraint    56 leu       h        76 val      hb       4.361  0.000   1
constraint    22 lys     hd1        88 asp      ha       4.011  0.000   5
constraint    22 lys     hd2        88 asp      ha       4.011  0.000   4
constraint    75 pro      ha        76 val      hb       4.011  0.000   3
constraint    83 leu     hb1        88 asp      ha       4.011  0.000   2
constraint    83 leu     hb2        88 asp      ha       4.011  0.000   1
constraint    22 lys     hd1        89 gly       h       4.172  0.000  10
constraint    22 lys     hd2        89 gly       h       4.172  0.000   9
constraint    24 arg     hg2        28 glu       h       4.172  0.000   8
constraint    28 glu       h        34 val      hb       4.172  0.000   7
constraint    83 leu     hb1        89 gly       h       4.172  0.000   6
constraint    83 leu     hb2        89 gly       h       4.172  0.000   5
constraint   101 lys     hb1       105 ala       h       4.172  0.000   4
constraint   101 lys     hb2       105 ala       h       4.172  0.000   3
constraint   102 lys     hb1       105 ala       h       4.172  0.000   2
constraint   102 lys     hb2       105 ala       h       4.172  0.000   1
constraint    22 lys     hd1        89 gly       h       4.172  0.000   3
constraint    22 lys     hd2        89 gly       h       4.172  0.000   2
constraint    24 arg     hg2        28 glu       h       4.172  0.000   1
constraint    22 lys     hd1        89 gly     ha1       4.929  0.000   4
constraint    22 lys     hd1        89 gly     ha2       4.929  0.000   3
constraint    22 lys     hd2        89 gly     ha1       4.929  0.000   2
constraint    22 lys     hd2        89 gly     ha2       4.929  0.000   1
constraint    22 lys     he1        23 met       h       8.000  0.000   4
constraint    22 lys     he2        23 met       h       8.000  0.000   3
constraint    23 met       h        24 arg     hd1       8.000  0.000   2
constraint    23 met       h        24 arg     hd2       8.000  0.000   1
constraint    22 lys     he1        87 val      hb       4.121  0.000   2
constraint    22 lys     he2        87 val      hb       4.121  0.000   1
constraint    22 lys     he1        87 val    hg13       3.556  0.000  12
constraint    22 lys     he1        87 val    hg12       3.556  0.000  11
constraint    22 lys     he1        87 val    hg11       3.556  0.000  10
constraint    22 lys     he1        87 val    hg23       3.556  0.000   9
constraint    22 lys     he1        87 val    hg22       3.556  0.000   8
constraint    22 lys     he1        87 val    hg21       3.556  0.000   7
constraint    22 lys     he2        87 val    hg13       3.556  0.000   6
constraint    22 lys     he2        87 val    hg12       3.556  0.000   5
constraint    22 lys     he2        87 val    hg11       3.556  0.000   4
constraint    22 lys     he2        87 val    hg23       3.556  0.000   3
constraint    22 lys     he2        87 val    hg22       3.556  0.000   2
constraint    22 lys     he2        87 val    hg21       3.556  0.000   1
constraint    22 lys     he1        89 gly       h       4.894  0.000   2
constraint    22 lys     he2        89 gly       h       4.894  0.000   1
constraint    23 met       h        23 met      ha       3.534  0.000   1
constraint    23 met       h        23 met     hb1       3.195  0.000   2
constraint    23 met       h        23 met     hb2       3.195  0.000   1
constraint    23 met       h        23 met     hb1       3.609  0.000   1
constraint    23 met       h        23 met     hb2       3.609  0.000   1
constraint    23 met       h        23 met     hg1       3.770  0.000   1
constraint    23 met       h        23 met     hg2       3.566  0.000   1
constraint    23 met       h        24 arg       h       3.647  0.000   1
constraint    23 met       h        24 arg       h       3.666  0.000   1
constraint    23 met       h        24 arg      ha       6.000  0.000   1
constraint    23 met       h        24 arg     hd1       8.000  0.000   2
constraint    23 met       h        24 arg     hd2       8.000  0.000   1
constraint    23 met       h        25 ala       h       4.912  0.000   1
constraint    23 met       h        36 ile     hd3       3.451  0.000  15
constraint    23 met       h        36 ile     hd2       3.451  0.000  14
constraint    23 met       h        36 ile     hd1       3.451  0.000  13
constraint    55 leu    hd13        56 leu       h       3.451  0.000  12
constraint    55 leu    hd12        56 leu       h       3.451  0.000  11
constraint    55 leu    hd11        56 leu       h       3.451  0.000  10
constraint    55 leu    hd23        56 leu       h       3.451  0.000   9
constraint    55 leu    hd22        56 leu       h       3.451  0.000   8
constraint    55 leu    hd21        56 leu       h       3.451  0.000   7
constraint    56 leu       h        56 leu    hd13       3.451  0.000   6
constraint    56 leu       h        56 leu    hd12       3.451  0.000   5
constraint    56 leu       h        56 leu    hd11       3.451  0.000   4
constraint    56 leu       h        56 leu    hd23       3.451  0.000   3
constraint    56 leu       h        56 leu    hd22       3.451  0.000   2
constraint    56 leu       h        56 leu    hd21       3.451  0.000   1
constraint    23 met       h        89 gly       h       5.000  0.000   1
constraint    23 met       h        89 gly     ha1       4.107  0.000   2
constraint    23 met       h        89 gly     ha2       4.107  0.000   1
constraint    23 met       h        89 gly     ha1       4.631  0.000   1
constraint    23 met       h        89 gly     ha2       4.631  0.000   1
constraint    23 met      ha        23 met     hb1       3.296  0.000   2
constraint    23 met      ha        23 met     hb2       3.296  0.000   1
constraint    23 met      ha        23 met     hg1       3.352  0.000   1
constraint    23 met      ha        23 met     hg1       3.380  0.000   1
constraint    23 met      ha        25 ala       h       4.965  0.000   1
constraint    23 met      ha        26 gln       h       4.084  0.000   1
constraint    23 met      ha        27 ala       h       4.655  0.000   1
constraint    23 met      ha        36 ile    hg23       3.684  0.000  21
constraint    23 met      ha        36 ile    hg22       3.684  0.000  20
constraint    23 met      ha        36 ile    hg21       3.684  0.000  19
constraint    23 met      ha        90 leu    hd13       3.684  0.000  18
constraint    23 met      ha        90 leu    hd12       3.684  0.000  17
constraint    23 met      ha        90 leu    hd11       3.684  0.000  16
constraint    23 met      ha        90 leu    hd23       3.684  0.000  15
constraint    23 met      ha        90 leu    hd22       3.684  0.000  14
constraint    23 met      ha        90 leu    hd21       3.684  0.000  13
constraint    23 met      ha        93 leu    hd13       3.684  0.000  12
constraint    23 met      ha        93 leu    hd12       3.684  0.000  11
constraint    23 met      ha        93 leu    hd11       3.684  0.000  10
constraint    23 met      ha        93 leu    hd23       3.684  0.000   9
constraint    23 met      ha        93 leu    hd22       3.684  0.000   8
constraint    23 met      ha        93 leu    hd21       3.684  0.000   7
constraint    53 val    hg23        75 pro     hd1       3.684  0.000   6
constraint    53 val    hg22        75 pro     hd1       3.684  0.000   5
constraint    53 val    hg21        75 pro     hd1       3.684  0.000   4
constraint    53 val    hg23        75 pro     hd2       3.684  0.000   3
constraint    53 val    hg22        75 pro     hd2       3.684  0.000   2
constraint    53 val    hg21        75 pro     hd2       3.684  0.000   1
constraint    23 met      ha        36 ile     hd3       4.037  0.000  21
constraint    23 met      ha        36 ile     hd2       4.037  0.000  20
constraint    23 met      ha        36 ile     hd1       4.037  0.000  19
constraint    23 met      ha        93 leu    hd13       4.037  0.000  18
constraint    23 met      ha        93 leu    hd12       4.037  0.000  17
constraint    23 met      ha        93 leu    hd11       4.037  0.000  16
constraint    23 met      ha        93 leu    hd23       4.037  0.000  15
constraint    23 met      ha        93 leu    hd22       4.037  0.000  14
constraint    23 met      ha        93 leu    hd21       4.037  0.000  13
constraint    75 pro     hd1        76 val    hg13       4.037  0.000  12
constraint    75 pro     hd1        76 val    hg12       4.037  0.000  11
constraint    75 pro     hd1        76 val    hg11       4.037  0.000  10
constraint    75 pro     hd1        76 val    hg23       4.037  0.000   9
constraint    75 pro     hd1        76 val    hg22       4.037  0.000   8
constraint    75 pro     hd1        76 val    hg21       4.037  0.000   7
constraint    75 pro     hd2        76 val    hg13       4.037  0.000   6
constraint    75 pro     hd2        76 val    hg12       4.037  0.000   5
constraint    75 pro     hd2        76 val    hg11       4.037  0.000   4
constraint    75 pro     hd2        76 val    hg23       4.037  0.000   3
constraint    75 pro     hd2        76 val    hg22       4.037  0.000   2
constraint    75 pro     hd2        76 val    hg21       4.037  0.000   1
constraint    23 met      ha        89 gly       h       4.610  0.000   1
constraint    23 met      ha        89 gly     ha1       3.843  0.000   2
constraint    23 met      ha        89 gly     ha2       3.843  0.000   1
constraint    23 met      ha        93 leu       h       4.768  0.000   1
constraint    23 met     hb1        23 met     hg1       3.412  0.000  10
constraint    23 met     hb2        23 met     hg1       3.412  0.000   9
constraint    23 met     hg1        26 gln     hb1       3.412  0.000   8
constraint    23 met     hg1        26 gln     hb2       3.412  0.000   7
constraint    23 met     hg1        26 gln     hg1       3.412  0.000   6
constraint    23 met     hg1        26 gln     hg2       3.412  0.000   5
constraint    26 gln     hb1        29 lys     he1       3.412  0.000   4
constraint    26 gln     hb2        29 lys     he1       3.412  0.000   3
constraint    26 gln     hg1        29 lys     he1       3.412  0.000   2
constraint    26 gln     hg2        29 lys     he1       3.412  0.000   1
constraint    23 met     hb1        24 arg       h       3.359  0.000   2
constraint    23 met     hb2        24 arg       h       3.359  0.000   1
constraint    23 met     hb1        24 arg       h       3.834  0.000   1
constraint    23 met     hb1        25 ala       h       5.000  0.000   6
constraint    23 met     hb2        25 ala       h       5.000  0.000   5
constraint    25 ala       h        26 gln     hb1       5.000  0.000   4
constraint    25 ala       h        26 gln     hb2       5.000  0.000   3
constraint    25 ala       h        26 gln     hg1       5.000  0.000   2
constraint    25 ala       h        26 gln     hg2       5.000  0.000   1
constraint    23 met     hb1        89 gly     ha1       5.000  0.000  12
constraint    23 met     hb1        89 gly     ha2       5.000  0.000  11
constraint    23 met     hb2        89 gly     ha1       5.000  0.000  10
constraint    23 met     hb2        89 gly     ha2       5.000  0.000   9
constraint    26 gln     hb1        89 gly     ha1       5.000  0.000   8
constraint    26 gln     hb1        89 gly     ha2       5.000  0.000   7
constraint    26 gln     hb2        89 gly     ha1       5.000  0.000   6
constraint    26 gln     hb2        89 gly     ha2       5.000  0.000   5
constraint    26 gln     hg1        89 gly     ha1       5.000  0.000   4
constraint    26 gln     hg1        89 gly     ha2       5.000  0.000   3
constraint    26 gln     hg2        89 gly     ha1       5.000  0.000   2
constraint    26 gln     hg2        89 gly     ha2       5.000  0.000   1
constraint    23 met     hb2        24 arg       h       3.834  0.000   1
constraint    23 met     hg1        24 arg       h       4.892  0.000   1
constraint    23 met     hg1        26 gln     hg1       2.843  0.000   4
constraint    23 met     hg1        26 gln     hg2       2.843  0.000   3
constraint    26 gln     hg1        29 lys     he1       2.843  0.000   2
constraint    26 gln     hg2        29 lys     he1       2.843  0.000   1
constraint    23 met     hg1        26 gln    he21       3.405  0.000   4
constraint    23 met     hg1        26 gln    he22       3.405  0.000   3
constraint    26 gln    he21        29 lys     he1       3.405  0.000   2
constraint    26 gln    he22        29 lys     he1       3.405  0.000   1
constraint    23 met     hg1        26 gln    he21       4.051  0.000   2
constraint    26 gln    he21        29 lys     he1       4.051  0.000   1
constraint    23 met     hg1        26 gln    he22       4.051  0.000   2
constraint    26 gln    he22        29 lys     he1       4.051  0.000   1
constraint    23 met     hg1        36 ile     hd3       4.502  0.000   9
constraint    23 met     hg1        36 ile     hd2       4.502  0.000   8
constraint    23 met     hg1        36 ile     hd1       4.502  0.000   7
constraint    23 met     hg1        93 leu    hd13       4.502  0.000   6
constraint    23 met     hg1        93 leu    hd12       4.502  0.000   5
constraint    23 met     hg1        93 leu    hd11       4.502  0.000   4
constraint    23 met     hg1        93 leu    hd23       4.502  0.000   3
constraint    23 met     hg1        93 leu    hd22       4.502  0.000   2
constraint    23 met     hg1        93 leu    hd21       4.502  0.000   1
constraint    23 met     hg1        89 gly       h       4.760  0.000   1
constraint    23 met     hg1        89 gly     ha1       3.527  0.000   2
constraint    23 met     hg1        89 gly     ha2       3.527  0.000   1
constraint    23 met     hg1        89 gly     ha1       4.092  0.000   1
constraint    23 met     hg1        89 gly     ha2       4.092  0.000   1
constraint    23 met     hg1        92 val       h       5.000  0.000   1
constraint    23 met     hg1        92 val      ha       3.751  0.000   9
constraint    79 ile      ha        80 asp     hb1       3.751  0.000   8
constraint    79 ile      ha        80 asp     hb2       3.751  0.000   7
constraint    80 asp     hb1        91 gly     ha1       3.751  0.000   6
constraint    80 asp     hb1        91 gly     ha2       3.751  0.000   5
constraint    80 asp     hb1        92 val      ha       3.751  0.000   4
constraint    80 asp     hb2        91 gly     ha1       3.751  0.000   3
constraint    80 asp     hb2        91 gly     ha2       3.751  0.000   2
constraint    80 asp     hb2        92 val      ha       3.751  0.000   1
constraint    23 met     hg1        93 leu       h       4.423  0.000   1
constraint    23 met     hg1        93 leu      ha       3.871  0.000   2
constraint    29 lys      ha        29 lys     he1       3.871  0.000   1
constraint    23 met     hg1        93 leu    hd13       3.252  0.000  18
constraint    23 met     hg1        93 leu    hd12       3.252  0.000  17
constraint    23 met     hg1        93 leu    hd11       3.252  0.000  16
constraint    23 met     hg1        93 leu    hd23       3.252  0.000  15
constraint    23 met     hg1        93 leu    hd22       3.252  0.000  14
constraint    23 met     hg1        93 leu    hd21       3.252  0.000  13
constraint    80 asp     hb1        83 leu    hd13       3.252  0.000  12
constraint    80 asp     hb1        83 leu    hd12       3.252  0.000  11
constraint    80 asp     hb1        83 leu    hd11       3.252  0.000  10
constraint    80 asp     hb1        83 leu    hd23       3.252  0.000   9
constraint    80 asp     hb1        83 leu    hd22       3.252  0.000   8
constraint    80 asp     hb1        83 leu    hd21       3.252  0.000   7
constraint    80 asp     hb2        83 leu    hd13       3.252  0.000   6
constraint    80 asp     hb2        83 leu    hd12       3.252  0.000   5
constraint    80 asp     hb2        83 leu    hd11       3.252  0.000   4
constraint    80 asp     hb2        83 leu    hd23       3.252  0.000   3
constraint    80 asp     hb2        83 leu    hd22       3.252  0.000   2
constraint    80 asp     hb2        83 leu    hd21       3.252  0.000   1
constraint    23 met     hg2        24 arg       h       4.799  0.000   1
constraint    23 met     hg2        89 gly     ha1       3.490  0.000   2
constraint    23 met     hg2        89 gly     ha2       3.490  0.000   1
constraint    23 met     hg2        89 gly     ha1       4.148  0.000   1
constraint    23 met     hg2        89 gly     ha2       4.148  0.000   1
constraint    23 met     hg2        93 leu       h       4.811  0.000   1
constraint    24 arg       h        24 arg     hb1       3.264  0.000   2
constraint    24 arg       h        24 arg     hb2       3.264  0.000   1
constraint    24 arg       h        24 arg     hb1       3.374  0.000   2
constraint    24 arg       h        24 arg     hb2       3.374  0.000   1
constraint    24 arg       h        24 arg     hd1       4.263  0.000   2
constraint    24 arg       h        24 arg     hd2       4.263  0.000   1
constraint    24 arg       h        24 arg     hd1       4.799  0.000   1
constraint    24 arg       h        24 arg     hd2       4.799  0.000   1
constraint    24 arg       h        24 arg      he       6.000  0.000   1
constraint    24 arg       h        25 ala       h       3.531  0.000   1
constraint    24 arg       h        26 gln       h       5.000  0.000   1
constraint    24 arg       h        36 ile     hd3       3.783  0.000   9
constraint    24 arg       h        36 ile     hd2       3.783  0.000   8
constraint    24 arg       h        36 ile     hd1       3.783  0.000   7
constraint    24 arg       h        93 leu    hd13       3.783  0.000   6
constraint    24 arg       h        93 leu    hd12       3.783  0.000   5
constraint    24 arg       h        93 leu    hd11       3.783  0.000   4
constraint    24 arg       h        93 leu    hd23       3.783  0.000   3
constraint    24 arg       h        93 leu    hd22       3.783  0.000   2
constraint    24 arg       h        93 leu    hd21       3.783  0.000   1
constraint    24 arg      ha        24 arg     hd1       4.791  0.000   2
constraint    24 arg      ha        24 arg     hd2       4.791  0.000   1
constraint    24 arg      ha        24 arg      he       6.000  0.000   1
constraint    24 arg      ha        26 gln       h       5.000  0.000   1
constraint    24 arg      ha        27 ala     hb3       2.696  0.000   6
constraint    24 arg      ha        27 ala     hb2       2.696  0.000   5
constraint    24 arg      ha        27 ala     hb1       2.696  0.000   4
constraint    93 leu      ha        96 ala     hb3       2.696  0.000   3
constraint    93 leu      ha        96 ala     hb2       2.696  0.000   2
constraint    93 leu      ha        96 ala     hb1       2.696  0.000   1
constraint    24 arg      ha        34 val      ha       7.000  0.000   3
constraint    24 arg      ha        36 ile      ha       7.000  0.000   2
constraint    36 ile      ha        93 leu      ha       7.000  0.000   1
constraint    24 arg      ha        36 ile       h       6.000  0.000   1
constraint    24 arg      ha        36 ile     hd3       2.826  0.000  12
constraint    24 arg      ha        36 ile     hd2       2.826  0.000  11
constraint    24 arg      ha        36 ile     hd1       2.826  0.000  10
constraint    36 ile     hd3        93 leu      ha       2.826  0.000   9
constraint    36 ile     hd2        93 leu      ha       2.826  0.000   8
constraint    36 ile     hd1        93 leu      ha       2.826  0.000   7
constraint    93 leu      ha        93 leu    hd13       2.826  0.000   6
constraint    93 leu      ha        93 leu    hd12       2.826  0.000   5
constraint    93 leu      ha        93 leu    hd11       2.826  0.000   4
constraint    93 leu      ha        93 leu    hd23       2.826  0.000   3
constraint    93 leu      ha        93 leu    hd22       2.826  0.000   2
constraint    93 leu      ha        93 leu    hd21       2.826  0.000   1
constraint    24 arg     hb1        24 arg      he       4.082  0.000   2
constraint    24 arg     hb2        24 arg      he       4.082  0.000   1
constraint    24 arg     hb1        24 arg    hh21       4.708  0.000   8
constraint    24 arg     hb1        24 arg    hh22       4.708  0.000   7
constraint    24 arg     hb2        24 arg    hh21       4.708  0.000   6
constraint    24 arg     hb2        24 arg    hh22       4.708  0.000   5
constraint    49 gln     hb1        49 gln    he21       4.708  0.000   4
constraint    49 gln     hb1        49 gln    he22       4.708  0.000   3
constraint    49 gln     hb2        49 gln    he21       4.708  0.000   2
constraint    49 gln     hb2        49 gln    he22       4.708  0.000   1
constraint    24 arg     hg1        24 arg     hd1       3.731  0.000   4
constraint    24 arg     hg1        24 arg     hd2       3.731  0.000   3
constraint    24 arg     hg2        24 arg     hd1       3.731  0.000   2
constraint    24 arg     hg2        24 arg     hd2       3.731  0.000   1
constraint    24 arg     hg1        24 arg      he       3.816  0.000   2
constraint    24 arg     hg2        24 arg      he       3.816  0.000   1
constraint    24 arg     hg1        36 ile       h       8.000  0.000   2
constraint    24 arg     hg2        36 ile       h       8.000  0.000   1
constraint    24 arg     hd1        24 arg      he       3.417  0.000   2
constraint    24 arg     hd2        24 arg      he       3.417  0.000   1
constraint    24 arg     hd1        24 arg      he       3.992  0.000   1
constraint    24 arg     hd1        25 ala       h       4.765  0.000   2
constraint    24 arg     hd2        25 ala       h       4.765  0.000   1
constraint    24 arg     hd1        25 ala       h       6.000  0.000   1
constraint    24 arg     hd1        36 ile       h       4.897  0.000   2
constraint    24 arg     hd2        36 ile       h       4.897  0.000   1
constraint    24 arg     hd1        36 ile       h       7.000  0.000   1
constraint    24 arg     hd1        36 ile     hd3       5.000  0.000  30
constraint    24 arg     hd1        36 ile     hd2       5.000  0.000  29
constraint    24 arg     hd1        36 ile     hd1       5.000  0.000  28
constraint    24 arg     hd1        93 leu    hd13       5.000  0.000  27
constraint    24 arg     hd1        93 leu    hd12       5.000  0.000  26
constraint    24 arg     hd1        93 leu    hd11       5.000  0.000  25
constraint    24 arg     hd1        93 leu    hd23       5.000  0.000  24
constraint    24 arg     hd1        93 leu    hd22       5.000  0.000  23
constraint    24 arg     hd1        93 leu    hd21       5.000  0.000  22
constraint    24 arg     hd2        36 ile     hd3       5.000  0.000  21
constraint    24 arg     hd2        36 ile     hd2       5.000  0.000  20
constraint    24 arg     hd2        36 ile     hd1       5.000  0.000  19
constraint    24 arg     hd2        93 leu    hd13       5.000  0.000  18
constraint    24 arg     hd2        93 leu    hd12       5.000  0.000  17
constraint    24 arg     hd2        93 leu    hd11       5.000  0.000  16
constraint    24 arg     hd2        93 leu    hd23       5.000  0.000  15
constraint    24 arg     hd2        93 leu    hd22       5.000  0.000  14
constraint    24 arg     hd2        93 leu    hd21       5.000  0.000  13
constraint    69 arg     hd1        70 leu    hd13       5.000  0.000  12
constraint    69 arg     hd1        70 leu    hd12       5.000  0.000  11
constraint    69 arg     hd1        70 leu    hd11       5.000  0.000  10
constraint    69 arg     hd1        70 leu    hd23       5.000  0.000   9
constraint    69 arg     hd1        70 leu    hd22       5.000  0.000   8
constraint    69 arg     hd1        70 leu    hd21       5.000  0.000   7
constraint    69 arg     hd2        70 leu    hd13       5.000  0.000   6
constraint    69 arg     hd2        70 leu    hd12       5.000  0.000   5
constraint    69 arg     hd2        70 leu    hd11       5.000  0.000   4
constraint    69 arg     hd2        70 leu    hd23       5.000  0.000   3
constraint    69 arg     hd2        70 leu    hd22       5.000  0.000   2
constraint    69 arg     hd2        70 leu    hd21       5.000  0.000   1
constraint    24 arg     hd1        38 ala      ha       5.000  0.000   4
constraint    24 arg     hd2        38 ala      ha       5.000  0.000   3
constraint    38 ala      ha        39 phe     hb1       5.000  0.000   2
constraint    38 ala      ha        39 phe     hb2       5.000  0.000   1
constraint    24 arg     hd2        24 arg      he       3.992  0.000   1
constraint    24 arg     hd2        25 ala       h       6.000  0.000   1
constraint    24 arg     hd2        36 ile       h       7.000  0.000   1
constraint    24 arg      he        25 ala       h       8.000  0.000   1
constraint    24 arg      he        35 ile      ha       7.000  0.000   2
constraint    39 phe      hz        47 lys      ha       7.000  0.000   1
constraint    24 arg      he        36 ile       h       4.420  0.000   1
constraint    24 arg      he        36 ile      ha       5.000  0.000   1
constraint    24 arg      he        36 ile      hb       3.848  0.000   1
constraint    24 arg      he        36 ile    hg23       5.000  0.000   3
constraint    24 arg      he        36 ile    hg22       5.000  0.000   2
constraint    24 arg      he        36 ile    hg21       5.000  0.000   1
constraint    24 arg      he        37 glu      ha       4.655  0.000   2
constraint    37 glu      ha        39 phe      hz       4.655  0.000   1
constraint    24 arg    hh21        35 ile      ha       5.935  0.000   4
constraint    24 arg    hh22        35 ile      ha       5.935  0.000   3
constraint    47 lys      ha        49 gln    he21       5.935  0.000   2
constraint    47 lys      ha        49 gln    he22       5.935  0.000   1
constraint    24 arg    hh21        36 ile       h      99.000  0.000   2
constraint    24 arg    hh22        36 ile       h      99.000  0.000   1
constraint    24 arg    hh21        37 glu      ha       5.000  0.000   2
constraint    24 arg    hh22        37 glu      ha       5.000  0.000   1
constraint    25 ala       h        26 gln       h       3.463  0.000   1
constraint    25 ala       h        27 ala       h       4.634  0.000   1
constraint    25 ala      ha        25 ala     hb3       2.494  0.000   3
constraint    25 ala      ha        25 ala     hb2       2.494  0.000   2
constraint    25 ala      ha        25 ala     hb1       2.494  0.000   1
constraint    25 ala      ha        26 gln       h       3.358  0.000   2
constraint    26 gln       h        26 gln      ha       3.358  0.000   1
constraint    25 ala      ha        28 glu     hg1       3.975  0.000   4
constraint    25 ala      ha        28 glu     hg2       3.975  0.000   3
constraint    46 glu      ha        49 gln     hg1       3.975  0.000   2
constraint    46 glu      ha        49 gln     hg2       3.975  0.000   1
constraint    25 ala      ha        29 lys       h       3.210  0.000   3
constraint    26 gln      ha        29 lys       h       3.210  0.000   2
constraint   103 ala      ha       104 ala       h       3.210  0.000   1
constraint    25 ala     hb3        26 gln       h       3.180  0.000   5
constraint    25 ala     hb2        26 gln       h       3.180  0.000   4
constraint    25 ala     hb1        26 gln       h       3.180  0.000   3
constraint   101 lys       h       101 lys     hg1       3.180  0.000   2
constraint   101 lys       h       101 lys     hg2       3.180  0.000   1
constraint    26 gln       h        26 gln      ha       3.358  0.000   1
constraint    26 gln       h        26 gln     hb1       3.706  0.000   4
constraint    26 gln       h        26 gln     hb2       3.706  0.000   3
constraint    26 gln       h        26 gln     hg1       3.706  0.000   2
constraint    26 gln       h        26 gln     hg2       3.706  0.000   1
constraint    26 gln       h        26 gln     hg1       3.753  0.000   2
constraint    26 gln       h        26 gln     hg2       3.753  0.000   1
constraint    26 gln       h        26 gln    he21       4.329  0.000   2
constraint    26 gln       h        26 gln    he22       4.329  0.000   1
constraint    26 gln       h        26 gln    he21       5.000  0.000   1
constraint    26 gln       h        26 gln    he22       5.000  0.000   1
constraint    26 gln       h        27 ala       h       3.350  0.000   1
constraint    26 gln       h        27 ala      ha       4.535  0.000   4
constraint    81 ser      ha        83 leu       h       4.535  0.000   3
constraint    83 leu       h        85 gly     ha1       4.535  0.000   2
constraint    83 leu       h        85 gly     ha2       4.535  0.000   1
constraint    26 gln       h        28 glu       h       6.000  0.000   1
constraint    26 gln       h        29 lys     hg1       4.692  0.000   8
constraint    26 gln       h        29 lys     hg2       4.692  0.000   7
constraint    83 leu       h        92 val    hg13       4.692  0.000   6
constraint    83 leu       h        92 val    hg12       4.692  0.000   5
constraint    83 leu       h        92 val    hg11       4.692  0.000   4
constraint    83 leu       h        92 val    hg23       4.692  0.000   3
constraint    83 leu       h        92 val    hg22       4.692  0.000   2
constraint    83 leu       h        92 val    hg21       4.692  0.000   1
constraint    26 gln       h        89 gly     ha1       5.000  0.000   2
constraint    26 gln       h        89 gly     ha2       5.000  0.000   1
constraint    26 gln      ha        26 gln     hb1       3.284  0.000   4
constraint    26 gln      ha        26 gln     hb2       3.284  0.000   3
constraint    26 gln      ha        26 gln     hg1       3.284  0.000   2
constraint    26 gln      ha        26 gln     hg2       3.284  0.000   1
constraint    26 gln      ha        26 gln    he21       4.167  0.000   4
constraint    26 gln      ha        26 gln    he22       4.167  0.000   3
constraint    47 lys      ha        50 asn    hd21       4.167  0.000   2
constraint    47 lys      ha        50 asn    hd22       4.167  0.000   1
constraint    26 gln      ha        26 gln    he21       4.709  0.000   2
constraint    26 gln      ha        26 gln    he22       4.709  0.000   1
constraint    26 gln      ha        29 lys     hg1       4.201  0.000   2
constraint    26 gln      ha        29 lys     hg2       4.201  0.000   1
constraint    26 gln      ha        29 lys     hg1       4.888  0.000   1
constraint    26 gln      ha        29 lys     hg2       4.888  0.000   1
constraint    26 gln      ha        29 lys     he1       3.662  0.000   1
constraint    26 gln      ha        30 tyr     hb1       6.000  0.000   2
constraint    26 gln      ha        30 tyr     hb2       6.000  0.000   1
constraint    26 gln      ha        30 tyr     hd1       3.690  0.000   2
constraint    26 gln      ha        30 tyr     hd2       3.690  0.000   1
constraint    26 gln      ha        30 tyr     he1       4.106  0.000   2
constraint    26 gln      ha        30 tyr     he2       4.106  0.000   1
constraint    26 gln     hb1        26 gln    he21       7.000  0.000   8
constraint    26 gln     hb1        26 gln    he22       7.000  0.000   7
constraint    26 gln     hb2        26 gln    he21       7.000  0.000   6
constraint    26 gln     hb2        26 gln    he22       7.000  0.000   5
constraint    26 gln     hg1        26 gln    he21       7.000  0.000   4
constraint    26 gln     hg1        26 gln    he22       7.000  0.000   3
constraint    26 gln     hg2        26 gln    he21       7.000  0.000   2
constraint    26 gln     hg2        26 gln    he22       7.000  0.000   1
constraint    26 gln     hb1        27 ala       h       3.569  0.000   4
constraint    26 gln     hb2        27 ala       h       3.569  0.000   3
constraint    26 gln     hg1        27 ala       h       3.569  0.000   2
constraint    26 gln     hg2        27 ala       h       3.569  0.000   1
constraint    26 gln     hb1        29 lys     hg1       4.522  0.000  14
constraint    26 gln     hb1        29 lys     hg2       4.522  0.000  13
constraint    26 gln     hb2        29 lys     hg1       4.522  0.000  12
constraint    26 gln     hb2        29 lys     hg2       4.522  0.000  11
constraint    26 gln     hg1        29 lys     hg1       4.522  0.000  10
constraint    26 gln     hg1        29 lys     hg2       4.522  0.000   9
constraint    26 gln     hg2        29 lys     hg1       4.522  0.000   8
constraint    26 gln     hg2        29 lys     hg2       4.522  0.000   7
constraint    66 glu     hg1        67 ile     hd3       4.522  0.000   6
constraint    66 glu     hg1        67 ile     hd2       4.522  0.000   5
constraint    66 glu     hg1        67 ile     hd1       4.522  0.000   4
constraint    66 glu     hg2        67 ile     hd3       4.522  0.000   3
constraint    66 glu     hg2        67 ile     hd2       4.522  0.000   2
constraint    66 glu     hg2        67 ile     hd1       4.522  0.000   1
constraint    26 gln     hb1        30 tyr       h       5.000  0.000   4
constraint    26 gln     hb2        30 tyr       h       5.000  0.000   3
constraint    26 gln     hg1        30 tyr       h       5.000  0.000   2
constraint    26 gln     hg2        30 tyr       h       5.000  0.000   1
constraint    26 gln     hb1        30 tyr     hd1       3.128  0.000  12
constraint    26 gln     hb1        30 tyr     hd2       3.128  0.000  11
constraint    26 gln     hb2        30 tyr     hd1       3.128  0.000  10
constraint    26 gln     hb2        30 tyr     hd2       3.128  0.000   9
constraint    26 gln     hg1        30 tyr     hd1       3.128  0.000   8
constraint    26 gln     hg1        30 tyr     hd2       3.128  0.000   7
constraint    26 gln     hg2        30 tyr     hd1       3.128  0.000   6
constraint    26 gln     hg2        30 tyr     hd2       3.128  0.000   5
constraint    65 pro     hb1        66 glu       h       3.128  0.000   4
constraint    65 pro     hb2        66 glu       h       3.128  0.000   3
constraint    66 glu       h        66 glu     hg1       3.128  0.000   2
constraint    66 glu       h        66 glu     hg2       3.128  0.000   1
constraint    26 gln     hb1        30 tyr     he1       4.302  0.000   8
constraint    26 gln     hb1        30 tyr     he2       4.302  0.000   7
constraint    26 gln     hb2        30 tyr     he1       4.302  0.000   6
constraint    26 gln     hb2        30 tyr     he2       4.302  0.000   5
constraint    26 gln     hg1        30 tyr     he1       4.302  0.000   4
constraint    26 gln     hg1        30 tyr     he2       4.302  0.000   3
constraint    26 gln     hg2        30 tyr     he1       4.302  0.000   2
constraint    26 gln     hg2        30 tyr     he2       4.302  0.000   1
constraint    26 gln     hb1        90 leu      ha       4.129  0.000   4
constraint    26 gln     hb2        90 leu      ha       4.129  0.000   3
constraint    26 gln     hg1        90 leu      ha       4.129  0.000   2
constraint    26 gln     hg2        90 leu      ha       4.129  0.000   1
constraint    26 gln     hg1        26 gln    he21       3.631  0.000   4
constraint    26 gln     hg1        26 gln    he22       3.631  0.000   3
constraint    26 gln     hg2        26 gln    he21       3.631  0.000   2
constraint    26 gln     hg2        26 gln    he22       3.631  0.000   1
constraint    26 gln     hg1        26 gln    he21       4.343  0.000   2
constraint    26 gln     hg2        26 gln    he21       4.343  0.000   1
constraint    26 gln     hg1        26 gln    he22       4.343  0.000   2
constraint    26 gln     hg2        26 gln    he22       4.343  0.000   1
constraint    26 gln     hg1        30 tyr     he1       5.000  0.000  12
constraint    26 gln     hg1        30 tyr     he2       5.000  0.000  11
constraint    26 gln     hg2        30 tyr     he1       5.000  0.000  10
constraint    26 gln     hg2        30 tyr     he2       5.000  0.000   9
constraint    30 tyr     he1        31 glu     hb1       5.000  0.000   8
constraint    30 tyr     he1        31 glu     hb2       5.000  0.000   7
constraint    30 tyr     he1        31 glu     hg1       5.000  0.000   6
constraint    30 tyr     he1        31 glu     hg2       5.000  0.000   5
constraint    30 tyr     he2        31 glu     hb1       5.000  0.000   4
constraint    30 tyr     he2        31 glu     hb2       5.000  0.000   3
constraint    30 tyr     he2        31 glu     hg1       5.000  0.000   2
constraint    30 tyr     he2        31 glu     hg2       5.000  0.000   1
constraint    26 gln     hg1        90 leu       h       3.936  0.000   2
constraint    26 gln     hg2        90 leu       h       3.936  0.000   1
constraint    26 gln     hg1        92 val       h       5.000  0.000   4
constraint    26 gln     hg2        92 val       h       5.000  0.000   3
constraint    88 asp     hb1        92 val       h       5.000  0.000   2
constraint    88 asp     hb2        92 val       h       5.000  0.000   1
constraint    26 gln    he21        27 ala       h       8.000  0.000   2
constraint    26 gln    he22        27 ala       h       8.000  0.000   1
constraint    26 gln    he21        89 gly     ha1       6.500  0.000   4
constraint    26 gln    he21        89 gly     ha2       6.500  0.000   3
constraint    26 gln    he22        89 gly     ha1       6.500  0.000   2
constraint    26 gln    he22        89 gly     ha2       6.500  0.000   1
constraint    26 gln    he21        90 leu       h       5.000  0.000   2
constraint    26 gln    he21        91 gly       h       5.000  0.000   1
constraint    26 gln    he21        90 leu     hb1       4.380  0.000   6
constraint    26 gln    he21        90 leu     hb2       4.380  0.000   5
constraint    26 gln    he21        90 leu      hg       4.380  0.000   4
constraint    26 gln    he22        90 leu     hb1       4.380  0.000   3
constraint    26 gln    he22        90 leu     hb2       4.380  0.000   2
constraint    26 gln    he22        90 leu      hg       4.380  0.000   1
constraint    26 gln    he22        90 leu       h       5.000  0.000   2
constraint    26 gln    he22        91 gly       h       5.000  0.000   1
constraint    27 ala       h        27 ala      ha       3.361  0.000   1
constraint    27 ala       h        27 ala     hb3       2.888  0.000   3
constraint    27 ala       h        27 ala     hb2       2.888  0.000   2
constraint    27 ala       h        27 ala     hb1       2.888  0.000   1
constraint    27 ala       h        28 glu       h       3.392  0.000   1
constraint    27 ala       h        29 lys       h       4.759  0.000   1
constraint    27 ala       h        29 lys     hg1       5.000  0.000   5
constraint    27 ala       h        29 lys     hg2       5.000  0.000   4
constraint    67 ile     hd3        68 gln       h       5.000  0.000   3
constraint    67 ile     hd2        68 gln       h       5.000  0.000   2
constraint    67 ile     hd1        68 gln       h       5.000  0.000   1
constraint    27 ala       h        30 tyr       h       5.000  0.000   1
constraint    27 ala       h        30 tyr     hd1       4.132  0.000   7
constraint    27 ala       h        30 tyr     hd2       4.132  0.000   6
constraint    66 glu       h        68 gln       h       4.132  0.000   5
constraint    68 gln       h        68 gln    he21       4.132  0.000   4
constraint    68 gln       h        68 gln    he22       4.132  0.000   3
constraint    68 gln    he21        73 asn       h       4.132  0.000   2
constraint    68 gln    he22        73 asn       h       4.132  0.000   1
constraint    27 ala       h        32 val    hg13       4.298  0.000  27
constraint    27 ala       h        32 val    hg12       4.298  0.000  26
constraint    27 ala       h        32 val    hg11       4.298  0.000  25
constraint    27 ala       h        32 val    hg23       4.298  0.000  24
constraint    27 ala       h        32 val    hg22       4.298  0.000  23
constraint    27 ala       h        32 val    hg21       4.298  0.000  22
constraint    27 ala       h        90 leu    hd23       4.298  0.000  21
constraint    27 ala       h        90 leu    hd22       4.298  0.000  20
constraint    27 ala       h        90 leu    hd21       4.298  0.000  19
constraint    59 gln       h        60 ile    hg23       4.298  0.000  18
constraint    59 gln       h        60 ile    hg22       4.298  0.000  17
constraint    59 gln       h        60 ile    hg21       4.298  0.000  16
constraint    59 gln       h        60 ile     hd3       4.298  0.000  15
constraint    59 gln       h        60 ile     hd2       4.298  0.000  14
constraint    59 gln       h        60 ile     hd1       4.298  0.000  13
constraint    59 gln       h        78 val    hg13       4.298  0.000  12
constraint    59 gln       h        78 val    hg12       4.298  0.000  11
constraint    59 gln       h        78 val    hg11       4.298  0.000  10
constraint    59 gln       h        78 val    hg23       4.298  0.000   9
constraint    59 gln       h        78 val    hg22       4.298  0.000   8
constraint    59 gln       h        78 val    hg21       4.298  0.000   7
constraint    64 leu    hd13        68 gln       h       4.298  0.000   6
constraint    64 leu    hd12        68 gln       h       4.298  0.000   5
constraint    64 leu    hd11        68 gln       h       4.298  0.000   4
constraint    64 leu    hd23        68 gln       h       4.298  0.000   3
constraint    64 leu    hd22        68 gln       h       4.298  0.000   2
constraint    64 leu    hd21        68 gln       h       4.298  0.000   1
constraint    27 ala       h        32 val    hg13       4.434  0.000  14
constraint    27 ala       h        32 val    hg12       4.434  0.000  13
constraint    27 ala       h        32 val    hg11       4.434  0.000  12
constraint    27 ala       h        32 val    hg23       4.434  0.000  11
constraint    27 ala       h        32 val    hg22       4.434  0.000  10
constraint    27 ala       h        32 val    hg21       4.434  0.000   9
constraint    59 gln       h        60 ile    hg11       4.434  0.000   8
constraint    59 gln       h        60 ile    hg12       4.434  0.000   7
constraint    59 gln       h        78 val    hg13       4.434  0.000   6
constraint    59 gln       h        78 val    hg12       4.434  0.000   5
constraint    59 gln       h        78 val    hg11       4.434  0.000   4
constraint    59 gln       h        78 val    hg23       4.434  0.000   3
constraint    59 gln       h        78 val    hg22       4.434  0.000   2
constraint    59 gln       h        78 val    hg21       4.434  0.000   1
constraint    27 ala       h        36 ile     hd3       4.060  0.000  33
constraint    27 ala       h        36 ile     hd2       4.060  0.000  32
constraint    27 ala       h        36 ile     hd1       4.060  0.000  31
constraint    27 ala       h        93 leu    hd13       4.060  0.000  30
constraint    27 ala       h        93 leu    hd12       4.060  0.000  29
constraint    27 ala       h        93 leu    hd11       4.060  0.000  28
constraint    27 ala       h        93 leu    hd23       4.060  0.000  27
constraint    27 ala       h        93 leu    hd22       4.060  0.000  26
constraint    27 ala       h        93 leu    hd21       4.060  0.000  25
constraint    56 leu    hd13        68 gln       h       4.060  0.000  24
constraint    56 leu    hd12        68 gln       h       4.060  0.000  23
constraint    56 leu    hd11        68 gln       h       4.060  0.000  22
constraint    56 leu    hd23        68 gln       h       4.060  0.000  21
constraint    56 leu    hd22        68 gln       h       4.060  0.000  20
constraint    56 leu    hd21        68 gln       h       4.060  0.000  19
constraint    68 gln       h        70 leu    hd13       4.060  0.000  18
constraint    68 gln       h        70 leu    hd12       4.060  0.000  17
constraint    68 gln       h        70 leu    hd11       4.060  0.000  16
constraint    68 gln       h        70 leu    hd23       4.060  0.000  15
constraint    68 gln       h        70 leu    hd22       4.060  0.000  14
constraint    68 gln       h        70 leu    hd21       4.060  0.000  13
constraint    68 gln       h        76 val    hg13       4.060  0.000  12
constraint    68 gln       h        76 val    hg12       4.060  0.000  11
constraint    68 gln       h        76 val    hg11       4.060  0.000  10
constraint    68 gln       h        76 val    hg23       4.060  0.000   9
constraint    68 gln       h        76 val    hg22       4.060  0.000   8
constraint    68 gln       h        76 val    hg21       4.060  0.000   7
constraint    73 asn       h        76 val    hg13       4.060  0.000   6
constraint    73 asn       h        76 val    hg12       4.060  0.000   5
constraint    73 asn       h        76 val    hg11       4.060  0.000   4
constraint    73 asn       h        76 val    hg23       4.060  0.000   3
constraint    73 asn       h        76 val    hg22       4.060  0.000   2
constraint    73 asn       h        76 val    hg21       4.060  0.000   1
constraint    27 ala       h        36 ile     hd3       4.060  0.000  27
constraint    27 ala       h        36 ile     hd2       4.060  0.000  26
constraint    27 ala       h        36 ile     hd1       4.060  0.000  25
constraint    27 ala       h        93 leu    hd13       4.060  0.000  24
constraint    27 ala       h        93 leu    hd12       4.060  0.000  23
constraint    27 ala       h        93 leu    hd11       4.060  0.000  22
constraint    27 ala       h        93 leu    hd23       4.060  0.000  21
constraint    27 ala       h        93 leu    hd22       4.060  0.000  20
constraint    27 ala       h        93 leu    hd21       4.060  0.000  19
constraint    64 leu    hd13        68 gln       h       4.060  0.000  18
constraint    64 leu    hd12        68 gln       h       4.060  0.000  17
constraint    64 leu    hd11        68 gln       h       4.060  0.000  16
constraint    64 leu    hd13        73 asn       h       4.060  0.000  15
constraint    64 leu    hd12        73 asn       h       4.060  0.000  14
constraint    64 leu    hd11        73 asn       h       4.060  0.000  13
constraint    64 leu    hd23        68 gln       h       4.060  0.000  12
constraint    64 leu    hd22        68 gln       h       4.060  0.000  11
constraint    64 leu    hd21        68 gln       h       4.060  0.000  10
constraint    64 leu    hd23        73 asn       h       4.060  0.000   9
constraint    64 leu    hd22        73 asn       h       4.060  0.000   8
constraint    64 leu    hd21        73 asn       h       4.060  0.000   7
constraint    68 gln       h        70 leu    hd13       4.060  0.000   6
constraint    68 gln       h        70 leu    hd12       4.060  0.000   5
constraint    68 gln       h        70 leu    hd11       4.060  0.000   4
constraint    68 gln       h        70 leu    hd23       4.060  0.000   3
constraint    68 gln       h        70 leu    hd22       4.060  0.000   2
constraint    68 gln       h        70 leu    hd21       4.060  0.000   1
constraint    27 ala       h        93 leu    hd13       3.475  0.000   9
constraint    27 ala       h        93 leu    hd12       3.475  0.000   8
constraint    27 ala       h        93 leu    hd11       3.475  0.000   7
constraint    27 ala       h        93 leu    hd23       3.475  0.000   6
constraint    27 ala       h        93 leu    hd22       3.475  0.000   5
constraint    27 ala       h        93 leu    hd21       3.475  0.000   4
constraint    59 gln       h        60 ile    hg23       3.475  0.000   3
constraint    59 gln       h        60 ile    hg22       3.475  0.000   2
constraint    59 gln       h        60 ile    hg21       3.475  0.000   1
constraint    27 ala      ha        28 glu       h       3.986  0.000   1
constraint    27 ala      ha        30 tyr       h       4.202  0.000   1
constraint    27 ala      ha        30 tyr     hb1       3.710  0.000   2
constraint    27 ala      ha        30 tyr     hb2       3.710  0.000   1
constraint    27 ala      ha        30 tyr     hb1       3.983  0.000   2
constraint    27 ala      ha        30 tyr     hb2       3.983  0.000   1
constraint    27 ala      ha        30 tyr     hb1       4.346  0.000   1
constraint    27 ala      ha        30 tyr     hb1       6.346  0.000   1
constraint    27 ala      ha        30 tyr     hb2       4.346  0.000   1
constraint    27 ala      ha        30 tyr     hb2       6.346  0.000   1
constraint    27 ala      ha        30 tyr     hd1       4.744  0.000   2
constraint    27 ala      ha        30 tyr     hd2       4.744  0.000   1
constraint    27 ala      ha        32 val       h       3.785  0.000   2
constraint    80 asp       h        81 ser      ha       3.785  0.000   1
constraint    27 ala      ha        32 val      hb       3.029  0.000   1
constraint    27 ala      ha        32 val    hg13       3.039  0.000  18
constraint    27 ala      ha        32 val    hg12       3.039  0.000  17
constraint    27 ala      ha        32 val    hg11       3.039  0.000  16
constraint    27 ala      ha        32 val    hg23       3.039  0.000  15
constraint    27 ala      ha        32 val    hg22       3.039  0.000  14
constraint    27 ala      ha        32 val    hg21       3.039  0.000  13
constraint    81 ser     hb1        82 leu    hd13       3.039  0.000  12
constraint    81 ser     hb1        82 leu    hd12       3.039  0.000  11
constraint    81 ser     hb1        82 leu    hd11       3.039  0.000  10
constraint    81 ser     hb1        82 leu    hd23       3.039  0.000   9
constraint    81 ser     hb1        82 leu    hd22       3.039  0.000   8
constraint    81 ser     hb1        82 leu    hd21       3.039  0.000   7
constraint    81 ser     hb2        82 leu    hd13       3.039  0.000   6
constraint    81 ser     hb2        82 leu    hd12       3.039  0.000   5
constraint    81 ser     hb2        82 leu    hd11       3.039  0.000   4
constraint    81 ser     hb2        82 leu    hd23       3.039  0.000   3
constraint    81 ser     hb2        82 leu    hd22       3.039  0.000   2
constraint    81 ser     hb2        82 leu    hd21       3.039  0.000   1
constraint    27 ala      ha        32 val    hg13       3.553  0.000   6
constraint    27 ala      ha        32 val    hg12       3.553  0.000   5
constraint    27 ala      ha        32 val    hg11       3.553  0.000   4
constraint    27 ala      ha        32 val    hg23       3.553  0.000   3
constraint    27 ala      ha        32 val    hg22       3.553  0.000   2
constraint    27 ala      ha        32 val    hg21       3.553  0.000   1
constraint    27 ala      ha        93 leu    hd13       3.047  0.000   6
constraint    27 ala      ha        93 leu    hd12       3.047  0.000   5
constraint    27 ala      ha        93 leu    hd11       3.047  0.000   4
constraint    27 ala      ha        93 leu    hd23       3.047  0.000   3
constraint    27 ala      ha        93 leu    hd22       3.047  0.000   2
constraint    27 ala      ha        93 leu    hd21       3.047  0.000   1
constraint    27 ala     hb3        28 glu       h       3.241  0.000   3
constraint    27 ala     hb2        28 glu       h       3.241  0.000   2
constraint    27 ala     hb1        28 glu       h       3.241  0.000   1
constraint    27 ala     hb3        32 val    hg13       3.319  0.000  62
constraint    27 ala     hb3        32 val    hg12       3.319  0.000  61
constraint    27 ala     hb3        32 val    hg11       3.319  0.000  60
constraint    27 ala     hb2        32 val    hg13       3.319  0.000  59
constraint    27 ala     hb2        32 val    hg12       3.319  0.000  58
constraint    27 ala     hb2        32 val    hg11       3.319  0.000  57
constraint    27 ala     hb1        32 val    hg13       3.319  0.000  56
constraint    27 ala     hb1        32 val    hg12       3.319  0.000  55
constraint    27 ala     hb1        32 val    hg11       3.319  0.000  54
constraint    27 ala     hb3        32 val    hg23       3.319  0.000  53
constraint    27 ala     hb3        32 val    hg22       3.319  0.000  52
constraint    27 ala     hb3        32 val    hg21       3.319  0.000  51
constraint    27 ala     hb2        32 val    hg23       3.319  0.000  50
constraint    27 ala     hb2        32 val    hg22       3.319  0.000  49
constraint    27 ala     hb2        32 val    hg21       3.319  0.000  48
constraint    27 ala     hb1        32 val    hg23       3.319  0.000  47
constraint    27 ala     hb1        32 val    hg22       3.319  0.000  46
constraint    27 ala     hb1        32 val    hg21       3.319  0.000  45
constraint    32 val    hg13        96 ala     hb3       3.319  0.000  44
constraint    32 val    hg13        96 ala     hb2       3.319  0.000  43
constraint    32 val    hg13        96 ala     hb1       3.319  0.000  42
constraint    32 val    hg12        96 ala     hb3       3.319  0.000  41
constraint    32 val    hg12        96 ala     hb2       3.319  0.000  40
constraint    32 val    hg12        96 ala     hb1       3.319  0.000  39
constraint    32 val    hg11        96 ala     hb3       3.319  0.000  38
constraint    32 val    hg11        96 ala     hb2       3.319  0.000  37
constraint    32 val    hg11        96 ala     hb1       3.319  0.000  36
constraint    32 val    hg23        96 ala     hb3       3.319  0.000  35
constraint    32 val    hg23        96 ala     hb2       3.319  0.000  34
constraint    32 val    hg23        96 ala     hb1       3.319  0.000  33
constraint    32 val    hg22        96 ala     hb3       3.319  0.000  32
constraint    32 val    hg22        96 ala     hb2       3.319  0.000  31
constraint    32 val    hg22        96 ala     hb1       3.319  0.000  30
constraint    32 val    hg21        96 ala     hb3       3.319  0.000  29
constraint    32 val    hg21        96 ala     hb2       3.319  0.000  28
constraint    32 val    hg21        96 ala     hb1       3.319  0.000  27
constraint    56 leu      hg        60 ile    hg11       3.319  0.000  26
constraint    56 leu      hg        60 ile    hg12       3.319  0.000  25
constraint    78 val    hg13        79 ile      hb       3.319  0.000  24
constraint    78 val    hg12        79 ile      hb       3.319  0.000  23
constraint    78 val    hg11        79 ile      hb       3.319  0.000  22
constraint    78 val    hg13        95 ala     hb3       3.319  0.000  21
constraint    78 val    hg13        95 ala     hb2       3.319  0.000  20
constraint    78 val    hg13        95 ala     hb1       3.319  0.000  19
constraint    78 val    hg12        95 ala     hb3       3.319  0.000  18
constraint    78 val    hg12        95 ala     hb2       3.319  0.000  17
constraint    78 val    hg12        95 ala     hb1       3.319  0.000  16
constraint    78 val    hg11        95 ala     hb3       3.319  0.000  15
constraint    78 val    hg11        95 ala     hb2       3.319  0.000  14
constraint    78 val    hg11        95 ala     hb1       3.319  0.000  13
constraint    78 val    hg23        79 ile      hb       3.319  0.000  12
constraint    78 val    hg22        79 ile      hb       3.319  0.000  11
constraint    78 val    hg21        79 ile      hb       3.319  0.000  10
constraint    78 val    hg23        95 ala     hb3       3.319  0.000   9
constraint    78 val    hg23        95 ala     hb2       3.319  0.000   8
constraint    78 val    hg23        95 ala     hb1       3.319  0.000   7
constraint    78 val    hg22        95 ala     hb3       3.319  0.000   6
constraint    78 val    hg22        95 ala     hb2       3.319  0.000   5
constraint    78 val    hg22        95 ala     hb1       3.319  0.000   4
constraint    78 val    hg21        95 ala     hb3       3.319  0.000   3
constraint    78 val    hg21        95 ala     hb2       3.319  0.000   2
constraint    78 val    hg21        95 ala     hb1       3.319  0.000   1
constraint    27 ala     hb3        36 ile     hd3       2.597  0.000  69
constraint    27 ala     hb3        36 ile     hd2       2.597  0.000  68
constraint    27 ala     hb3        36 ile     hd1       2.597  0.000  67
constraint    27 ala     hb2        36 ile     hd3       2.597  0.000  66
constraint    27 ala     hb2        36 ile     hd2       2.597  0.000  65
constraint    27 ala     hb2        36 ile     hd1       2.597  0.000  64
constraint    27 ala     hb1        36 ile     hd3       2.597  0.000  63
constraint    27 ala     hb1        36 ile     hd2       2.597  0.000  62
constraint    27 ala     hb1        36 ile     hd1       2.597  0.000  61
constraint    27 ala     hb3        93 leu    hd13       2.597  0.000  60
constraint    27 ala     hb3        93 leu    hd12       2.597  0.000  59
constraint    27 ala     hb3        93 leu    hd11       2.597  0.000  58
constraint    27 ala     hb2        93 leu    hd13       2.597  0.000  57
constraint    27 ala     hb2        93 leu    hd12       2.597  0.000  56
constraint    27 ala     hb2        93 leu    hd11       2.597  0.000  55
constraint    27 ala     hb1        93 leu    hd13       2.597  0.000  54
constraint    27 ala     hb1        93 leu    hd12       2.597  0.000  53
constraint    27 ala     hb1        93 leu    hd11       2.597  0.000  52
constraint    27 ala     hb3        93 leu    hd23       2.597  0.000  51
constraint    27 ala     hb3        93 leu    hd22       2.597  0.000  50
constraint    27 ala     hb3        93 leu    hd21       2.597  0.000  49
constraint    27 ala     hb2        93 leu    hd23       2.597  0.000  48
constraint    27 ala     hb2        93 leu    hd22       2.597  0.000  47
constraint    27 ala     hb2        93 leu    hd21       2.597  0.000  46
constraint    27 ala     hb1        93 leu    hd23       2.597  0.000  45
constraint    27 ala     hb1        93 leu    hd22       2.597  0.000  44
constraint    27 ala     hb1        93 leu    hd21       2.597  0.000  43
constraint    36 ile     hd3        55 leu      hg       2.597  0.000  42
constraint    36 ile     hd2        55 leu      hg       2.597  0.000  41
constraint    36 ile     hd1        55 leu      hg       2.597  0.000  40
constraint    36 ile     hd3        96 ala     hb3       2.597  0.000  39
constraint    36 ile     hd3        96 ala     hb2       2.597  0.000  38
constraint    36 ile     hd3        96 ala     hb1       2.597  0.000  37
constraint    36 ile     hd2        96 ala     hb3       2.597  0.000  36
constraint    36 ile     hd2        96 ala     hb2       2.597  0.000  35
constraint    36 ile     hd2        96 ala     hb1       2.597  0.000  34
constraint    36 ile     hd1        96 ala     hb3       2.597  0.000  33
constraint    36 ile     hd1        96 ala     hb2       2.597  0.000  32
constraint    36 ile     hd1        96 ala     hb1       2.597  0.000  31
constraint    55 leu      hg        93 leu    hd13       2.597  0.000  30
constraint    55 leu      hg        93 leu    hd12       2.597  0.000  29
constraint    55 leu      hg        93 leu    hd11       2.597  0.000  28
constraint    55 leu      hg        93 leu    hd23       2.597  0.000  27
constraint    55 leu      hg        93 leu    hd22       2.597  0.000  26
constraint    55 leu      hg        93 leu    hd21       2.597  0.000  25
constraint    56 leu      hg        70 leu    hd13       2.597  0.000  24
constraint    56 leu      hg        70 leu    hd12       2.597  0.000  23
constraint    56 leu      hg        70 leu    hd11       2.597  0.000  22
constraint    56 leu      hg        70 leu    hd23       2.597  0.000  21
constraint    56 leu      hg        70 leu    hd22       2.597  0.000  20
constraint    56 leu      hg        70 leu    hd21       2.597  0.000  19
constraint    93 leu    hd13        96 ala     hb3       2.597  0.000  18
constraint    93 leu    hd13        96 ala     hb2       2.597  0.000  17
constraint    93 leu    hd13        96 ala     hb1       2.597  0.000  16
constraint    93 leu    hd12        96 ala     hb3       2.597  0.000  15
constraint    93 leu    hd12        96 ala     hb2       2.597  0.000  14
constraint    93 leu    hd12        96 ala     hb1       2.597  0.000  13
constraint    93 leu    hd11        96 ala     hb3       2.597  0.000  12
constraint    93 leu    hd11        96 ala     hb2       2.597  0.000  11
constraint    93 leu    hd11        96 ala     hb1       2.597  0.000  10
constraint    93 leu    hd23        96 ala     hb3       2.597  0.000   9
constraint    93 leu    hd23        96 ala     hb2       2.597  0.000   8
constraint    93 leu    hd23        96 ala     hb1       2.597  0.000   7
constraint    93 leu    hd22        96 ala     hb3       2.597  0.000   6
constraint    93 leu    hd22        96 ala     hb2       2.597  0.000   5
constraint    93 leu    hd22        96 ala     hb1       2.597  0.000   4
constraint    93 leu    hd21        96 ala     hb3       2.597  0.000   3
constraint    93 leu    hd21        96 ala     hb2       2.597  0.000   2
constraint    93 leu    hd21        96 ala     hb1       2.597  0.000   1
constraint    28 glu       h        28 glu     hb1       2.970  0.000   2
constraint    28 glu       h        28 glu     hb2       2.970  0.000   1
constraint    28 glu       h        28 glu     hg1       3.498  0.000   2
constraint    28 glu       h        28 glu     hg2       3.498  0.000   1
constraint    28 glu       h        28 glu     hg1       4.053  0.000   1
constraint    28 glu       h        28 glu     hg2       4.053  0.000   1
constraint    28 glu       h        29 lys       h       3.067  0.000   2
constraint   104 ala       h       105 ala       h       3.067  0.000   1
constraint    28 glu       h        29 lys     hg1       5.000  0.000   8
constraint    28 glu       h        29 lys     hg2       5.000  0.000   7
constraint    89 gly       h        92 val    hg13       5.000  0.000   6
constraint    89 gly       h        92 val    hg12       5.000  0.000   5
constraint    89 gly       h        92 val    hg11       5.000  0.000   4
constraint    89 gly       h        92 val    hg23       5.000  0.000   3
constraint    89 gly       h        92 val    hg22       5.000  0.000   2
constraint    89 gly       h        92 val    hg21       5.000  0.000   1
constraint    28 glu       h        32 val       h       7.000  0.000   1
constraint    28 glu      ha        28 glu     hg1       3.123  0.000   2
constraint    28 glu      ha        28 glu     hg2       3.123  0.000   1
constraint    28 glu      ha        28 glu     hg1       3.553  0.000   1
constraint    28 glu      ha        28 glu     hg2       3.553  0.000   1
constraint    28 glu      ha        31 glu       h       3.198  0.000   2
constraint   102 lys      ha       103 ala       h       3.198  0.000   1
constraint    28 glu     hb1        28 glu     hg1       2.955  0.000   8
constraint    28 glu     hb1        28 glu     hg2       2.955  0.000   7
constraint    28 glu     hb2        28 glu     hg1       2.955  0.000   6
constraint    28 glu     hb2        28 glu     hg2       2.955  0.000   5
constraint    49 gln     hb1        49 gln     hg1       2.955  0.000   4
constraint    49 gln     hb1        49 gln     hg2       2.955  0.000   3
constraint    49 gln     hb2        49 gln     hg1       2.955  0.000   2
constraint    49 gln     hb2        49 gln     hg2       2.955  0.000   1
constraint    28 glu     hb1        29 lys       h       3.308  0.000   2
constraint    28 glu     hb2        29 lys       h       3.308  0.000   1
constraint    28 glu     hg1        29 lys       h       4.659  0.000   4
constraint    28 glu     hg2        29 lys       h       4.659  0.000   3
constraint    39 phe     hb1        43 leu       h       4.659  0.000   2
constraint    39 phe     hb2        43 leu       h       4.659  0.000   1
constraint    28 glu     hg1        29 lys       h       4.518  0.000   2
constraint    28 glu     hg2        29 lys       h       4.518  0.000   1
constraint    28 glu     hg1        31 glu       h       5.000  0.000   4
constraint    28 glu     hg2        31 glu       h       5.000  0.000   3
constraint    75 pro     hg1       103 ala       h       5.000  0.000   2
constraint    75 pro     hg2       103 ala       h       5.000  0.000   1
constraint    28 glu     hg1        35 ile     hd3       3.523  0.000  28
constraint    28 glu     hg1        35 ile     hd2       3.523  0.000  27
constraint    28 glu     hg1        35 ile     hd1       3.523  0.000  26
constraint    28 glu     hg2        35 ile     hd3       3.523  0.000  25
constraint    28 glu     hg2        35 ile     hd2       3.523  0.000  24
constraint    28 glu     hg2        35 ile     hd1       3.523  0.000  23
constraint    49 gln     hg1        71 leu    hd13       3.523  0.000  22
constraint    49 gln     hg1        71 leu    hd12       3.523  0.000  21
constraint    49 gln     hg1        71 leu    hd11       3.523  0.000  20
constraint    49 gln     hg1        71 leu    hd23       3.523  0.000  19
constraint    49 gln     hg1        71 leu    hd22       3.523  0.000  18
constraint    49 gln     hg1        71 leu    hd21       3.523  0.000  17
constraint    49 gln     hg2        71 leu    hd13       3.523  0.000  16
constraint    49 gln     hg2        71 leu    hd12       3.523  0.000  15
constraint    49 gln     hg2        71 leu    hd11       3.523  0.000  14
constraint    49 gln     hg2        71 leu    hd23       3.523  0.000  13
constraint    49 gln     hg2        71 leu    hd22       3.523  0.000  12
constraint    49 gln     hg2        71 leu    hd21       3.523  0.000  11
constraint    75 pro     hg1       100 ile    hg11       3.523  0.000  10
constraint    75 pro     hg1       100 ile    hg12       3.523  0.000   9
constraint    75 pro     hg1       100 ile     hd3       3.523  0.000   8
constraint    75 pro     hg1       100 ile     hd2       3.523  0.000   7
constraint    75 pro     hg1       100 ile     hd1       3.523  0.000   6
constraint    75 pro     hg2       100 ile    hg11       3.523  0.000   5
constraint    75 pro     hg2       100 ile    hg12       3.523  0.000   4
constraint    75 pro     hg2       100 ile     hd3       3.523  0.000   3
constraint    75 pro     hg2       100 ile     hd2       3.523  0.000   2
constraint    75 pro     hg2       100 ile     hd1       3.523  0.000   1
constraint    29 lys       h        29 lys      ha       3.179  0.000   1
constraint    29 lys       h        29 lys     hb2       3.050  0.000   1
constraint    29 lys       h        29 lys     hg1       3.842  0.000   2
constraint    29 lys       h        29 lys     hg2       3.842  0.000   1
constraint    29 lys       h        29 lys     hg1       4.315  0.000   1
constraint    29 lys       h        29 lys     hg2       4.315  0.000   1
constraint    29 lys       h        29 lys     he1       5.000  0.000   1
constraint    29 lys       h        29 lys     he2       5.000  0.000   1
constraint    29 lys      ha        29 lys     hg1       3.013  0.000   2
constraint    29 lys      ha        29 lys     hg2       3.013  0.000   1
constraint    29 lys      ha        29 lys     hg1       3.632  0.000   1
constraint    29 lys      ha        29 lys     hg2       3.632  0.000   1
constraint    29 lys      ha        29 lys     he2       5.000  0.000   1
constraint    29 lys      ha        30 tyr      ha       4.338  0.000   2
constraint    30 tyr      ha        31 glu      ha       4.338  0.000   1
constraint    29 lys     hb1        30 tyr      ha       8.000  0.000   2
constraint    29 lys     hb2        30 tyr      ha       8.000  0.000   1
constraint    29 lys     hb2        29 lys     hg1       3.020  0.000  11
constraint    29 lys     hb2        29 lys     hg2       3.020  0.000  10
constraint    63 met     hb1        67 ile     hd3       3.020  0.000   9
constraint    63 met     hb1        67 ile     hd2       3.020  0.000   8
constraint    63 met     hb1        67 ile     hd1       3.020  0.000   7
constraint    63 met     hb2        67 ile     hd3       3.020  0.000   6
constraint    63 met     hb2        67 ile     hd2       3.020  0.000   5
constraint    63 met     hb2        67 ile     hd1       3.020  0.000   4
constraint    67 ile      hb        67 ile     hd3       3.020  0.000   3
constraint    67 ile      hb        67 ile     hd2       3.020  0.000   2
constraint    67 ile      hb        67 ile     hd1       3.020  0.000   1
constraint    29 lys     hb2        30 tyr     hd1       3.735  0.000   4
constraint    29 lys     hb2        30 tyr     hd2       3.735  0.000   3
constraint    66 glu       h        69 arg     hg1       3.735  0.000   2
constraint    66 glu       h        69 arg     hg2       3.735  0.000   1
constraint    29 lys     hb2        30 tyr     hd1       3.908  0.000   2
constraint    29 lys     hb2        30 tyr     hd2       3.908  0.000   1
constraint    29 lys     hb2        30 tyr     he1       5.000  0.000   6
constraint    29 lys     hb2        30 tyr     he2       5.000  0.000   5
constraint    79 ile    hg11        84 tyr     hd1       5.000  0.000   4
constraint    79 ile    hg11        84 tyr     hd2       5.000  0.000   3
constraint    79 ile    hg12        84 tyr     hd1       5.000  0.000   2
constraint    79 ile    hg12        84 tyr     hd2       5.000  0.000   1
constraint    29 lys     hg1        29 lys     hd1       3.288  0.000   4
constraint    29 lys     hg1        29 lys     hd2       3.288  0.000   3
constraint    29 lys     hg2        29 lys     hd1       3.288  0.000   2
constraint    29 lys     hg2        29 lys     hd2       3.288  0.000   1
constraint    29 lys     hg1        29 lys     he1       3.441  0.000   2
constraint    29 lys     hg2        29 lys     he1       3.441  0.000   1
constraint    29 lys     hg1        29 lys     he1       3.876  0.000   1
constraint    29 lys     hg1        29 lys     he2       3.398  0.000   2
constraint    29 lys     hg2        29 lys     he2       3.398  0.000   1
constraint    29 lys     hg1        29 lys     he2       3.876  0.000   1
constraint    29 lys     hg1        30 tyr       h       4.457  0.000   2
constraint    29 lys     hg2        30 tyr       h       4.457  0.000   1
constraint    29 lys     hg1        30 tyr      ha       5.000  0.000   1
constraint    29 lys     hg1        30 tyr     hb1       7.000  0.000   2
constraint    29 lys     hg2        30 tyr     hb1       7.000  0.000   1
constraint    29 lys     hg1        30 tyr     hb2       7.000  0.000   2
constraint    29 lys     hg2        30 tyr     hb2       7.000  0.000   1
constraint    29 lys     hg1        30 tyr     hd1       3.836  0.000   4
constraint    29 lys     hg1        30 tyr     hd2       3.836  0.000   3
constraint    29 lys     hg2        30 tyr     hd1       3.836  0.000   2
constraint    29 lys     hg2        30 tyr     hd2       3.836  0.000   1
constraint    29 lys     hg1        30 tyr     hd1       4.772  0.000   2
constraint    29 lys     hg1        30 tyr     hd2       4.772  0.000   1
constraint    29 lys     hg1        30 tyr     he1       4.154  0.000  16
constraint    29 lys     hg1        30 tyr     he2       4.154  0.000  15
constraint    29 lys     hg2        30 tyr     he1       4.154  0.000  14
constraint    29 lys     hg2        30 tyr     he2       4.154  0.000  13
constraint    84 tyr     hd1        92 val    hg13       4.154  0.000  12
constraint    84 tyr     hd1        92 val    hg12       4.154  0.000  11
constraint    84 tyr     hd1        92 val    hg11       4.154  0.000  10
constraint    84 tyr     hd1        92 val    hg23       4.154  0.000   9
constraint    84 tyr     hd1        92 val    hg22       4.154  0.000   8
constraint    84 tyr     hd1        92 val    hg21       4.154  0.000   7
constraint    84 tyr     hd2        92 val    hg13       4.154  0.000   6
constraint    84 tyr     hd2        92 val    hg12       4.154  0.000   5
constraint    84 tyr     hd2        92 val    hg11       4.154  0.000   4
constraint    84 tyr     hd2        92 val    hg23       4.154  0.000   3
constraint    84 tyr     hd2        92 val    hg22       4.154  0.000   2
constraint    84 tyr     hd2        92 val    hg21       4.154  0.000   1
constraint    29 lys     hg1        30 tyr     he1       4.340  0.000   4
constraint    29 lys     hg1        30 tyr     he2       4.340  0.000   3
constraint    29 lys     hg2        30 tyr     he1       4.340  0.000   2
constraint    29 lys     hg2        30 tyr     he2       4.340  0.000   1
constraint    29 lys     hg1        90 leu     hb1       3.015  0.000  25
constraint    29 lys     hg1        90 leu     hb2       3.015  0.000  24
constraint    29 lys     hg2        90 leu     hb1       3.015  0.000  23
constraint    29 lys     hg2        90 leu     hb2       3.015  0.000  22
constraint    63 met     hb1        67 ile     hd3       3.015  0.000  21
constraint    63 met     hb1        67 ile     hd2       3.015  0.000  20
constraint    63 met     hb1        67 ile     hd1       3.015  0.000  19
constraint    63 met     hb2        67 ile     hd3       3.015  0.000  18
constraint    63 met     hb2        67 ile     hd2       3.015  0.000  17
constraint    63 met     hb2        67 ile     hd1       3.015  0.000  16
constraint    64 leu     hb1        67 ile     hd3       3.015  0.000  15
constraint    64 leu     hb1        67 ile     hd2       3.015  0.000  14
constraint    64 leu     hb1        67 ile     hd1       3.015  0.000  13
constraint    64 leu     hb2        67 ile     hd3       3.015  0.000  12
constraint    64 leu     hb2        67 ile     hd2       3.015  0.000  11
constraint    64 leu     hb2        67 ile     hd1       3.015  0.000  10
constraint    66 glu     hb1        67 ile     hd3       3.015  0.000   9
constraint    66 glu     hb1        67 ile     hd2       3.015  0.000   8
constraint    66 glu     hb1        67 ile     hd1       3.015  0.000   7
constraint    66 glu     hb2        67 ile     hd3       3.015  0.000   6
constraint    66 glu     hb2        67 ile     hd2       3.015  0.000   5
constraint    66 glu     hb2        67 ile     hd1       3.015  0.000   4
constraint    67 ile     hd3        78 val      hb       3.015  0.000   3
constraint    67 ile     hd2        78 val      hb       3.015  0.000   2
constraint    67 ile     hd1        78 val      hb       3.015  0.000   1
constraint    29 lys     hg2        29 lys     he1       3.876  0.000   1
constraint    29 lys     hg2        29 lys     he2       3.876  0.000   1
constraint    29 lys     hg2        30 tyr      ha       5.000  0.000   1
constraint    29 lys     hg2        30 tyr     hd1       4.772  0.000   2
constraint    29 lys     hg2        30 tyr     hd2       4.772  0.000   1
constraint    29 lys     hd1        29 lys     he1       3.111  0.000   6
constraint    29 lys     hd2        29 lys     he1       3.111  0.000   5
constraint    80 asp     hb1        83 leu     hb1       3.111  0.000   4
constraint    80 asp     hb1        83 leu     hb2       3.111  0.000   3
constraint    80 asp     hb2        83 leu     hb1       3.111  0.000   2
constraint    80 asp     hb2        83 leu     hb2       3.111  0.000   1
constraint    29 lys     hd1        29 lys     he2       3.333  0.000   2
constraint    29 lys     hd2        29 lys     he2       3.333  0.000   1
constraint    29 lys     hd1        30 tyr     he1       3.394  0.000  10
constraint    29 lys     hd1        30 tyr     he2       3.394  0.000   9
constraint    29 lys     hd2        30 tyr     he1       3.394  0.000   8
constraint    29 lys     hd2        30 tyr     he2       3.394  0.000   7
constraint    30 tyr     he1        90 leu      hg       3.394  0.000   6
constraint    30 tyr     he2        90 leu      hg       3.394  0.000   5
constraint    58 pro     hg1        84 tyr     hd1       3.394  0.000   4
constraint    58 pro     hg1        84 tyr     hd2       3.394  0.000   3
constraint    58 pro     hg2        84 tyr     hd1       3.394  0.000   2
constraint    58 pro     hg2        84 tyr     hd2       3.394  0.000   1
constraint    29 lys     he1        30 tyr     hd1       6.000  0.000   2
constraint    29 lys     he1        30 tyr     hd2       6.000  0.000   1
constraint    29 lys     he1        30 tyr     he1       3.927  0.000   2
constraint    29 lys     he1        30 tyr     he2       3.927  0.000   1
constraint    30 tyr       h        30 tyr     hb1       3.097  0.000   2
constraint    30 tyr       h        30 tyr     hb2       3.097  0.000   1
constraint    30 tyr       h        30 tyr     hb1       3.595  0.000   1
constraint    30 tyr       h        30 tyr     hb2       3.595  0.000   1
constraint    30 tyr       h        30 tyr     hd1       3.364  0.000   2
constraint    30 tyr       h        30 tyr     hd2       3.364  0.000   1
constraint    30 tyr       h        30 tyr     he1       6.000  0.000   2
constraint    30 tyr       h        30 tyr     he2       6.000  0.000   1
constraint    30 tyr       h        32 val       h       4.772  0.000   1
constraint    30 tyr       h        32 val    hg13       3.978  0.000   6
constraint    30 tyr       h        32 val    hg12       3.978  0.000   5
constraint    30 tyr       h        32 val    hg11       3.978  0.000   4
constraint    30 tyr       h        32 val    hg23       3.978  0.000   3
constraint    30 tyr       h        32 val    hg22       3.978  0.000   2
constraint    30 tyr       h        32 val    hg21       3.978  0.000   1
constraint    30 tyr      ha        30 tyr     hb1       2.908  0.000   2
constraint    30 tyr      ha        30 tyr     hb2       2.908  0.000   1
constraint    30 tyr      ha        30 tyr     hb1       3.406  0.000   1
constraint    30 tyr      ha        30 tyr     hb2       3.406  0.000   1
constraint    30 tyr      ha        30 tyr     hd1       2.947  0.000   2
constraint    30 tyr      ha        30 tyr     hd2       2.947  0.000   1
constraint    30 tyr      ha        30 tyr     he1       5.120  0.000   2
constraint    30 tyr      ha        30 tyr     he2       5.120  0.000   1
constraint    30 tyr      ha        31 glu       h       3.618  0.000   1
constraint    30 tyr      ha        31 glu     hb1       3.982  0.000   4
constraint    30 tyr      ha        31 glu     hb2       3.982  0.000   3
constraint    30 tyr      ha        31 glu     hg1       3.982  0.000   2
constraint    30 tyr      ha        31 glu     hg2       3.982  0.000   1
constraint    30 tyr      ha        31 glu     hb1       4.521  0.000   3
constraint    30 tyr      ha        31 glu     hg1       4.521  0.000   2
constraint    30 tyr      ha        31 glu     hg2       4.521  0.000   1
constraint    30 tyr      ha        31 glu     hb2       4.521  0.000   3
constraint    30 tyr      ha        31 glu     hg1       4.521  0.000   2
constraint    30 tyr      ha        31 glu     hg2       4.521  0.000   1
constraint    30 tyr      ha        32 val       h       5.000  0.000   1
constraint    30 tyr      ha        32 val    hg13       4.191  0.000   6
constraint    30 tyr      ha        32 val    hg12       4.191  0.000   5
constraint    30 tyr      ha        32 val    hg11       4.191  0.000   4
constraint    30 tyr      ha        32 val    hg23       4.191  0.000   3
constraint    30 tyr      ha        32 val    hg22       4.191  0.000   2
constraint    30 tyr      ha        32 val    hg21       4.191  0.000   1
constraint    30 tyr     hb1        31 glu       h       4.024  0.000   2
constraint    30 tyr     hb2        31 glu       h       4.024  0.000   1
constraint    30 tyr     hb1        31 glu       h       4.609  0.000   1
constraint    30 tyr     hb1        32 val       h       5.000  0.000   2
constraint    30 tyr     hb2        32 val       h       5.000  0.000   1
constraint    30 tyr     hb1        32 val      ha       7.000  0.000   2
constraint    30 tyr     hb2        32 val      ha       7.000  0.000   1
constraint    30 tyr     hb1        32 val    hg13       2.888  0.000  12
constraint    30 tyr     hb1        32 val    hg12       2.888  0.000  11
constraint    30 tyr     hb1        32 val    hg11       2.888  0.000  10
constraint    30 tyr     hb1        32 val    hg23       2.888  0.000   9
constraint    30 tyr     hb1        32 val    hg22       2.888  0.000   8
constraint    30 tyr     hb1        32 val    hg21       2.888  0.000   7
constraint    30 tyr     hb2        32 val    hg13       2.888  0.000   6
constraint    30 tyr     hb2        32 val    hg12       2.888  0.000   5
constraint    30 tyr     hb2        32 val    hg11       2.888  0.000   4
constraint    30 tyr     hb2        32 val    hg23       2.888  0.000   3
constraint    30 tyr     hb2        32 val    hg22       2.888  0.000   2
constraint    30 tyr     hb2        32 val    hg21       2.888  0.000   1
constraint    30 tyr     hb1        32 val    hg13       3.276  0.000   6
constraint    30 tyr     hb1        32 val    hg12       3.276  0.000   5
constraint    30 tyr     hb1        32 val    hg11       3.276  0.000   4
constraint    30 tyr     hb1        32 val    hg23       3.276  0.000   3
constraint    30 tyr     hb1        32 val    hg22       3.276  0.000   2
constraint    30 tyr     hb1        32 val    hg21       3.276  0.000   1
constraint    30 tyr     hb1        93 leu    hd13       4.811  0.000  12
constraint    30 tyr     hb1        93 leu    hd12       4.811  0.000  11
constraint    30 tyr     hb1        93 leu    hd11       4.811  0.000  10
constraint    30 tyr     hb1        93 leu    hd23       4.811  0.000   9
constraint    30 tyr     hb1        93 leu    hd22       4.811  0.000   8
constraint    30 tyr     hb1        93 leu    hd21       4.811  0.000   7
constraint    30 tyr     hb2        93 leu    hd13       4.811  0.000   6
constraint    30 tyr     hb2        93 leu    hd12       4.811  0.000   5
constraint    30 tyr     hb2        93 leu    hd11       4.811  0.000   4
constraint    30 tyr     hb2        93 leu    hd23       4.811  0.000   3
constraint    30 tyr     hb2        93 leu    hd22       4.811  0.000   2
constraint    30 tyr     hb2        93 leu    hd21       4.811  0.000   1
constraint    30 tyr     hb2        31 glu       h       4.609  0.000   1
constraint    30 tyr     hb2        32 val    hg13       3.276  0.000   6
constraint    30 tyr     hb2        32 val    hg12       3.276  0.000   5
constraint    30 tyr     hb2        32 val    hg11       3.276  0.000   4
constraint    30 tyr     hb2        32 val    hg23       3.276  0.000   3
constraint    30 tyr     hb2        32 val    hg22       3.276  0.000   2
constraint    30 tyr     hb2        32 val    hg21       3.276  0.000   1
constraint    30 tyr     hd1        31 glu       h       4.560  0.000   2
constraint    30 tyr     hd2        31 glu       h       4.560  0.000   1
constraint    30 tyr     hd1        32 val       h       5.000  0.000   2
constraint    30 tyr     hd2        32 val       h       5.000  0.000   1
constraint    30 tyr     hd1        32 val    hg13       3.636  0.000  12
constraint    30 tyr     hd1        32 val    hg12       3.636  0.000  11
constraint    30 tyr     hd1        32 val    hg11       3.636  0.000  10
constraint    30 tyr     hd1        32 val    hg23       3.636  0.000   9
constraint    30 tyr     hd1        32 val    hg22       3.636  0.000   8
constraint    30 tyr     hd1        32 val    hg21       3.636  0.000   7
constraint    30 tyr     hd2        32 val    hg13       3.636  0.000   6
constraint    30 tyr     hd2        32 val    hg12       3.636  0.000   5
constraint    30 tyr     hd2        32 val    hg11       3.636  0.000   4
constraint    30 tyr     hd2        32 val    hg23       3.636  0.000   3
constraint    30 tyr     hd2        32 val    hg22       3.636  0.000   2
constraint    30 tyr     hd2        32 val    hg21       3.636  0.000   1
constraint    30 tyr     hd1        36 ile     hd3       3.788  0.000  36
constraint    30 tyr     hd1        36 ile     hd2       3.788  0.000  35
constraint    30 tyr     hd1        36 ile     hd1       3.788  0.000  34
constraint    30 tyr     hd1        93 leu    hd13       3.788  0.000  33
constraint    30 tyr     hd1        93 leu    hd12       3.788  0.000  32
constraint    30 tyr     hd1        93 leu    hd11       3.788  0.000  31
constraint    30 tyr     hd1        93 leu    hd23       3.788  0.000  30
constraint    30 tyr     hd1        93 leu    hd22       3.788  0.000  29
constraint    30 tyr     hd1        93 leu    hd21       3.788  0.000  28
constraint    30 tyr     hd2        36 ile     hd3       3.788  0.000  27
constraint    30 tyr     hd2        36 ile     hd2       3.788  0.000  26
constraint    30 tyr     hd2        36 ile     hd1       3.788  0.000  25
constraint    30 tyr     hd2        93 leu    hd13       3.788  0.000  24
constraint    30 tyr     hd2        93 leu    hd12       3.788  0.000  23
constraint    30 tyr     hd2        93 leu    hd11       3.788  0.000  22
constraint    30 tyr     hd2        93 leu    hd23       3.788  0.000  21
constraint    30 tyr     hd2        93 leu    hd22       3.788  0.000  20
constraint    30 tyr     hd2        93 leu    hd21       3.788  0.000  19
constraint    64 leu    hd13        66 glu       h       3.788  0.000  18
constraint    64 leu    hd12        66 glu       h       3.788  0.000  17
constraint    64 leu    hd11        66 glu       h       3.788  0.000  16
constraint    64 leu    hd13        68 gln    he21       3.788  0.000  15
constraint    64 leu    hd12        68 gln    he21       3.788  0.000  14
constraint    64 leu    hd11        68 gln    he21       3.788  0.000  13
constraint    64 leu    hd13        68 gln    he22       3.788  0.000  12
constraint    64 leu    hd12        68 gln    he22       3.788  0.000  11
constraint    64 leu    hd11        68 gln    he22       3.788  0.000  10
constraint    64 leu    hd23        66 glu       h       3.788  0.000   9
constraint    64 leu    hd22        66 glu       h       3.788  0.000   8
constraint    64 leu    hd21        66 glu       h       3.788  0.000   7
constraint    64 leu    hd23        68 gln    he21       3.788  0.000   6
constraint    64 leu    hd22        68 gln    he21       3.788  0.000   5
constraint    64 leu    hd21        68 gln    he21       3.788  0.000   4
constraint    64 leu    hd23        68 gln    he22       3.788  0.000   3
constraint    64 leu    hd22        68 gln    he22       3.788  0.000   2
constraint    64 leu    hd21        68 gln    he22       3.788  0.000   1
constraint    30 tyr     hd1        97 val      ha       5.000  0.000   4
constraint    30 tyr     hd2        97 val      ha       5.000  0.000   3
constraint    45 gly     ha1        49 gln       h       5.000  0.000   2
constraint    45 gly     ha2        49 gln       h       5.000  0.000   1
constraint    30 tyr     he1        32 val       h       7.000  0.000   6
constraint    30 tyr     he2        32 val       h       7.000  0.000   5
constraint    79 ile       h        84 tyr     hd1       7.000  0.000   4
constraint    79 ile       h        84 tyr     hd2       7.000  0.000   3
constraint    80 asp       h        84 tyr     hd1       7.000  0.000   2
constraint    80 asp       h        84 tyr     hd2       7.000  0.000   1
constraint    30 tyr     he1        32 val    hg13       3.395  0.000  36
constraint    30 tyr     he1        32 val    hg12       3.395  0.000  35
constraint    30 tyr     he1        32 val    hg11       3.395  0.000  34
constraint    30 tyr     he1        32 val    hg23       3.395  0.000  33
constraint    30 tyr     he1        32 val    hg22       3.395  0.000  32
constraint    30 tyr     he1        32 val    hg21       3.395  0.000  31
constraint    30 tyr     he1        90 leu    hd13       3.395  0.000  30
constraint    30 tyr     he1        90 leu    hd12       3.395  0.000  29
constraint    30 tyr     he1        90 leu    hd11       3.395  0.000  28
constraint    30 tyr     he1        90 leu    hd23       3.395  0.000  27
constraint    30 tyr     he1        90 leu    hd22       3.395  0.000  26
constraint    30 tyr     he1        90 leu    hd21       3.395  0.000  25
constraint    30 tyr     he1        97 val    hg13       3.395  0.000  24
constraint    30 tyr     he1        97 val    hg12       3.395  0.000  23
constraint    30 tyr     he1        97 val    hg11       3.395  0.000  22
constraint    30 tyr     he1        97 val    hg23       3.395  0.000  21
constraint    30 tyr     he1        97 val    hg22       3.395  0.000  20
constraint    30 tyr     he1        97 val    hg21       3.395  0.000  19
constraint    30 tyr     he2        32 val    hg13       3.395  0.000  18
constraint    30 tyr     he2        32 val    hg12       3.395  0.000  17
constraint    30 tyr     he2        32 val    hg11       3.395  0.000  16
constraint    30 tyr     he2        32 val    hg23       3.395  0.000  15
constraint    30 tyr     he2        32 val    hg22       3.395  0.000  14
constraint    30 tyr     he2        32 val    hg21       3.395  0.000  13
constraint    30 tyr     he2        90 leu    hd13       3.395  0.000  12
constraint    30 tyr     he2        90 leu    hd12       3.395  0.000  11
constraint    30 tyr     he2        90 leu    hd11       3.395  0.000  10
constraint    30 tyr     he2        90 leu    hd23       3.395  0.000   9
constraint    30 tyr     he2        90 leu    hd22       3.395  0.000   8
constraint    30 tyr     he2        90 leu    hd21       3.395  0.000   7
constraint    30 tyr     he2        97 val    hg13       3.395  0.000   6
constraint    30 tyr     he2        97 val    hg12       3.395  0.000   5
constraint    30 tyr     he2        97 val    hg11       3.395  0.000   4
constraint    30 tyr     he2        97 val    hg23       3.395  0.000   3
constraint    30 tyr     he2        97 val    hg22       3.395  0.000   2
constraint    30 tyr     he2        97 val    hg21       3.395  0.000   1
constraint    30 tyr     he1        90 leu    hd13       3.007  0.000  42
constraint    30 tyr     he1        90 leu    hd12       3.007  0.000  41
constraint    30 tyr     he1        90 leu    hd11       3.007  0.000  40
constraint    30 tyr     he1        90 leu    hd23       3.007  0.000  39
constraint    30 tyr     he1        90 leu    hd22       3.007  0.000  38
constraint    30 tyr     he1        90 leu    hd21       3.007  0.000  37
constraint    30 tyr     he1        93 leu    hd13       3.007  0.000  36
constraint    30 tyr     he1        93 leu    hd12       3.007  0.000  35
constraint    30 tyr     he1        93 leu    hd11       3.007  0.000  34
constraint    30 tyr     he1        93 leu    hd23       3.007  0.000  33
constraint    30 tyr     he1        93 leu    hd22       3.007  0.000  32
constraint    30 tyr     he1        93 leu    hd21       3.007  0.000  31
constraint    30 tyr     he2        90 leu    hd13       3.007  0.000  30
constraint    30 tyr     he2        90 leu    hd12       3.007  0.000  29
constraint    30 tyr     he2        90 leu    hd11       3.007  0.000  28
constraint    30 tyr     he2        90 leu    hd23       3.007  0.000  27
constraint    30 tyr     he2        90 leu    hd22       3.007  0.000  26
constraint    30 tyr     he2        90 leu    hd21       3.007  0.000  25
constraint    30 tyr     he2        93 leu    hd13       3.007  0.000  24
constraint    30 tyr     he2        93 leu    hd12       3.007  0.000  23
constraint    30 tyr     he2        93 leu    hd11       3.007  0.000  22
constraint    30 tyr     he2        93 leu    hd23       3.007  0.000  21
constraint    30 tyr     he2        93 leu    hd22       3.007  0.000  20
constraint    30 tyr     he2        93 leu    hd21       3.007  0.000  19
constraint    79 ile     hd3        84 tyr     hd1       3.007  0.000  18
constraint    79 ile     hd2        84 tyr     hd1       3.007  0.000  17
constraint    79 ile     hd1        84 tyr     hd1       3.007  0.000  16
constraint    79 ile     hd3        84 tyr     hd2       3.007  0.000  15
constraint    79 ile     hd2        84 tyr     hd2       3.007  0.000  14
constraint    79 ile     hd1        84 tyr     hd2       3.007  0.000  13
constraint    83 leu    hd13        84 tyr     hd1       3.007  0.000  12
constraint    83 leu    hd12        84 tyr     hd1       3.007  0.000  11
constraint    83 leu    hd11        84 tyr     hd1       3.007  0.000  10
constraint    83 leu    hd13        84 tyr     hd2       3.007  0.000   9
constraint    83 leu    hd12        84 tyr     hd2       3.007  0.000   8
constraint    83 leu    hd11        84 tyr     hd2       3.007  0.000   7
constraint    83 leu    hd23        84 tyr     hd1       3.007  0.000   6
constraint    83 leu    hd22        84 tyr     hd1       3.007  0.000   5
constraint    83 leu    hd21        84 tyr     hd1       3.007  0.000   4
constraint    83 leu    hd23        84 tyr     hd2       3.007  0.000   3
constraint    83 leu    hd22        84 tyr     hd2       3.007  0.000   2
constraint    83 leu    hd21        84 tyr     hd2       3.007  0.000   1
constraint    31 glu       h        31 glu      ha       2.720  0.000   1
constraint    31 glu       h        31 glu     hb1       3.355  0.000   4
constraint    31 glu       h        31 glu     hb2       3.355  0.000   3
constraint    31 glu       h        31 glu     hg1       3.355  0.000   2
constraint    31 glu       h        31 glu     hg2       3.355  0.000   1
constraint    31 glu       h        32 val       h       3.550  0.000   1
constraint    31 glu       h        32 val    hg13       4.169  0.000   6
constraint    31 glu       h        32 val    hg12       4.169  0.000   5
constraint    31 glu       h        32 val    hg11       4.169  0.000   4
constraint    31 glu       h        32 val    hg23       4.169  0.000   3
constraint    31 glu       h        32 val    hg22       4.169  0.000   2
constraint    31 glu       h        32 val    hg21       4.169  0.000   1
constraint    31 glu      ha        31 glu     hb1       2.823  0.000   4
constraint    31 glu      ha        31 glu     hb2       2.823  0.000   3
constraint    31 glu      ha        31 glu     hg1       2.823  0.000   2
constraint    31 glu      ha        31 glu     hg2       2.823  0.000   1
constraint    31 glu      ha        32 val       h       3.249  0.000   1
constraint    32 val       h        32 val      hb       3.086  0.000   5
constraint    77 glu     hb1        78 val       h       3.086  0.000   4
constraint    77 glu     hb2        78 val       h       3.086  0.000   3
constraint    77 glu     hg1        78 val       h       3.086  0.000   2
constraint    77 glu     hg2        78 val       h       3.086  0.000   1
constraint    32 val       h        32 val    hg13       3.159  0.000  18
constraint    32 val       h        32 val    hg12       3.159  0.000  17
constraint    32 val       h        32 val    hg11       3.159  0.000  16
constraint    32 val       h        32 val    hg23       3.159  0.000  15
constraint    32 val       h        32 val    hg22       3.159  0.000  14
constraint    32 val       h        32 val    hg21       3.159  0.000  13
constraint    78 val       h        78 val    hg13       3.159  0.000  12
constraint    78 val       h        78 val    hg12       3.159  0.000  11
constraint    78 val       h        78 val    hg11       3.159  0.000  10
constraint    78 val       h        78 val    hg23       3.159  0.000   9
constraint    78 val       h        78 val    hg22       3.159  0.000   8
constraint    78 val       h        78 val    hg21       3.159  0.000   7
constraint    78 val    hg13        79 ile       h       3.159  0.000   6
constraint    78 val    hg12        79 ile       h       3.159  0.000   5
constraint    78 val    hg11        79 ile       h       3.159  0.000   4
constraint    78 val    hg23        79 ile       h       3.159  0.000   3
constraint    78 val    hg22        79 ile       h       3.159  0.000   2
constraint    78 val    hg21        79 ile       h       3.159  0.000   1
constraint    32 val       h        33 pro     hd1       4.476  0.000   2
constraint    32 val       h        33 pro     hd2       4.476  0.000   1
constraint    32 val      ha        32 val    hg13       2.704  0.000   6
constraint    32 val      ha        32 val    hg12       2.704  0.000   5
constraint    32 val      ha        32 val    hg11       2.704  0.000   4
constraint    32 val      ha        32 val    hg23       2.704  0.000   3
constraint    32 val      ha        32 val    hg22       2.704  0.000   2
constraint    32 val      ha        32 val    hg21       2.704  0.000   1
constraint    32 val      ha        32 val    hg13       3.095  0.000   3
constraint    32 val      ha        32 val    hg12       3.095  0.000   2
constraint    32 val      ha        32 val    hg11       3.095  0.000   1
constraint    32 val      ha        32 val    hg23       3.095  0.000   3
constraint    32 val      ha        32 val    hg22       3.095  0.000   2
constraint    32 val      ha        32 val    hg21       3.095  0.000   1
constraint    32 val      ha        33 pro     hd1       2.618  0.000   2
constraint    32 val      ha        33 pro     hd2       2.618  0.000   1
constraint    32 val      ha        33 pro     hd1       2.979  0.000   1
constraint    32 val      ha        33 pro     hd2       2.979  0.000   1
constraint    33 pro      ha        33 pro     hg1       4.162  0.000   2
constraint    33 pro      ha        33 pro     hg2       4.162  0.000   1
constraint    33 pro      ha        33 pro     hg1       4.398  0.000   2
constraint    33 pro      ha        33 pro     hg2       4.398  0.000   1
constraint    33 pro      ha        33 pro     hd1       4.837  0.000   2
constraint    33 pro      ha        33 pro     hd2       4.837  0.000   1
constraint    33 pro      ha        34 val       h       3.154  0.000   1
constraint    33 pro      ha        34 val      ha       5.000  0.000   1
constraint    33 pro     hb1        33 pro     hd1       4.195  0.000   4
constraint    33 pro     hb1        33 pro     hd2       4.195  0.000   3
constraint    33 pro     hb2        33 pro     hd1       4.195  0.000   2
constraint    33 pro     hb2        33 pro     hd2       4.195  0.000   1
constraint    33 pro     hb1        34 val       h       4.872  0.000   2
constraint    33 pro     hb2        34 val       h       4.872  0.000   1
constraint    33 pro     hb1        34 val      ha       5.000  0.000   2
constraint    33 pro     hb2        34 val      ha       5.000  0.000   1
constraint    33 pro     hd1        33 pro     hd2       2.645  0.000   1
constraint    34 val       h        34 val      hb       4.217  0.000   1
constraint    34 val       h        34 val    hg13       3.433  0.000   9
constraint    34 val       h        34 val    hg12       3.433  0.000   8
constraint    34 val       h        34 val    hg11       3.433  0.000   7
constraint    34 val       h        34 val    hg23       3.433  0.000   6
constraint    34 val       h        34 val    hg22       3.433  0.000   5
constraint    34 val       h        34 val    hg21       3.433  0.000   4
constraint    67 ile       h        67 ile    hg23       3.433  0.000   3
constraint    67 ile       h        67 ile    hg22       3.433  0.000   2
constraint    67 ile       h        67 ile    hg21       3.433  0.000   1
constraint    34 val       h        34 val    hg13       3.031  0.000   6
constraint    34 val       h        34 val    hg12       3.031  0.000   5
constraint    34 val       h        34 val    hg11       3.031  0.000   4
constraint    34 val       h        34 val    hg23       3.031  0.000   3
constraint    34 val       h        34 val    hg22       3.031  0.000   2
constraint    34 val       h        34 val    hg21       3.031  0.000   1
constraint    34 val      ha        34 val    hg13       5.000  0.000   6
constraint    34 val      ha        34 val    hg12       5.000  0.000   5
constraint    34 val      ha        34 val    hg11       5.000  0.000   4
constraint    34 val      ha        34 val    hg23       5.000  0.000   3
constraint    34 val      ha        34 val    hg22       5.000  0.000   2
constraint    34 val      ha        34 val    hg21       5.000  0.000   1
constraint    34 val      ha        35 ile       h       3.011  0.000   1
constraint    34 val      ha        35 ile      ha       4.151  0.000   2
constraint    35 ile      ha        36 ile      ha       4.151  0.000   1
constraint    34 val      hb        35 ile       h       3.058  0.000   2
constraint    94 lys       h        94 lys     hb1       3.058  0.000   1
constraint    34 val    hg13        35 ile       h       4.199  0.000   6
constraint    34 val    hg12        35 ile       h       4.199  0.000   5
constraint    34 val    hg11        35 ile       h       4.199  0.000   4
constraint    34 val    hg23        35 ile       h       4.199  0.000   3
constraint    34 val    hg22        35 ile       h       4.199  0.000   2
constraint    34 val    hg21        35 ile       h       4.199  0.000   1
constraint    34 val    hg13        35 ile      ha       3.714  0.000  24
constraint    34 val    hg12        35 ile      ha       3.714  0.000  23
constraint    34 val    hg11        35 ile      ha       3.714  0.000  22
constraint    34 val    hg23        35 ile      ha       3.714  0.000  21
constraint    34 val    hg22        35 ile      ha       3.714  0.000  20
constraint    34 val    hg21        35 ile      ha       3.714  0.000  19
constraint    47 lys      ha        71 leu    hd13       3.714  0.000  18
constraint    47 lys      ha        71 leu    hd12       3.714  0.000  17
constraint    47 lys      ha        71 leu    hd11       3.714  0.000  16
constraint    47 lys      ha        71 leu    hd23       3.714  0.000  15
constraint    47 lys      ha        71 leu    hd22       3.714  0.000  14
constraint    47 lys      ha        71 leu    hd21       3.714  0.000  13
constraint    56 leu    hd13        78 val      ha       3.714  0.000  12
constraint    56 leu    hd12        78 val      ha       3.714  0.000  11
constraint    56 leu    hd11        78 val      ha       3.714  0.000  10
constraint    56 leu    hd23        78 val      ha       3.714  0.000   9
constraint    56 leu    hd22        78 val      ha       3.714  0.000   8
constraint    56 leu    hd21        78 val      ha       3.714  0.000   7
constraint    76 val    hg13        78 val      ha       3.714  0.000   6
constraint    76 val    hg12        78 val      ha       3.714  0.000   5
constraint    76 val    hg11        78 val      ha       3.714  0.000   4
constraint    76 val    hg23        78 val      ha       3.714  0.000   3
constraint    76 val    hg22        78 val      ha       3.714  0.000   2
constraint    76 val    hg21        78 val      ha       3.714  0.000   1
constraint    34 val    hg13        36 ile       h       4.656  0.000  12
constraint    34 val    hg12        36 ile       h       4.656  0.000  11
constraint    34 val    hg11        36 ile       h       4.656  0.000  10
constraint    34 val    hg23        36 ile       h       4.656  0.000   9
constraint    34 val    hg22        36 ile       h       4.656  0.000   8
constraint    34 val    hg21        36 ile       h       4.656  0.000   7
constraint    35 ile     hd3        36 ile       h       4.656  0.000   6
constraint    35 ile     hd2        36 ile       h       4.656  0.000   5
constraint    35 ile     hd1        36 ile       h       4.656  0.000   4
constraint    36 ile       h        36 ile     hd3       4.656  0.000   3
constraint    36 ile       h        36 ile     hd2       4.656  0.000   2
constraint    36 ile       h        36 ile     hd1       4.656  0.000   1
constraint    34 val    hg13        36 ile       h       4.909  0.000   6
constraint    34 val    hg12        36 ile       h       4.909  0.000   5
constraint    34 val    hg11        36 ile       h       4.909  0.000   4
constraint    34 val    hg23        36 ile       h       4.909  0.000   3
constraint    34 val    hg22        36 ile       h       4.909  0.000   2
constraint    34 val    hg21        36 ile       h       4.909  0.000   1
constraint    35 ile       h        35 ile    hg11       3.139  0.000   2
constraint    35 ile       h        35 ile    hg12       3.139  0.000   1
constraint    35 ile       h        35 ile    hg11       4.105  0.000   1
constraint    35 ile       h        35 ile    hg12       4.105  0.000   1
constraint    35 ile       h        36 ile       h       4.977  0.000   1
constraint    35 ile      ha        36 ile       h       2.861  0.000   1
constraint    35 ile      ha        52 asp     hb1       4.683  0.000   4
constraint    35 ile      ha        52 asp     hb2       4.683  0.000   3
constraint    44 ala      ha        47 lys      ha       4.683  0.000   2
constraint    47 lys      ha        47 lys     he2       4.683  0.000   1
constraint    35 ile      hb        35 ile    hg23       2.829  0.000   9
constraint    35 ile      hb        35 ile    hg22       2.829  0.000   8
constraint    35 ile      hb        35 ile    hg21       2.829  0.000   7
constraint    35 ile    hg11        35 ile    hg23       2.829  0.000   6
constraint    35 ile    hg11        35 ile    hg22       2.829  0.000   5
constraint    35 ile    hg11        35 ile    hg21       2.829  0.000   4
constraint    35 ile    hg12        35 ile    hg23       2.829  0.000   3
constraint    35 ile    hg12        35 ile    hg22       2.829  0.000   2
constraint    35 ile    hg12        35 ile    hg21       2.829  0.000   1
constraint    35 ile      hb        36 ile       h       4.292  0.000   3
constraint    35 ile    hg11        36 ile       h       4.292  0.000   2
constraint    35 ile    hg12        36 ile       h       4.292  0.000   1
constraint    35 ile      hb        93 leu      hg       4.347  0.000  15
constraint    35 ile    hg11        93 leu      hg       4.347  0.000  14
constraint    35 ile    hg12        93 leu      hg       4.347  0.000  13
constraint    40 pro     hb1        42 thr    hg23       4.347  0.000  12
constraint    40 pro     hb1        42 thr    hg22       4.347  0.000  11
constraint    40 pro     hb1        42 thr    hg21       4.347  0.000  10
constraint    40 pro     hb2        42 thr    hg23       4.347  0.000   9
constraint    40 pro     hb2        42 thr    hg22       4.347  0.000   8
constraint    40 pro     hb2        42 thr    hg21       4.347  0.000   7
constraint    41 glu     hb1        42 thr    hg23       4.347  0.000   6
constraint    41 glu     hb1        42 thr    hg22       4.347  0.000   5
constraint    41 glu     hb1        42 thr    hg21       4.347  0.000   4
constraint    41 glu     hb2        42 thr    hg23       4.347  0.000   3
constraint    41 glu     hb2        42 thr    hg22       4.347  0.000   2
constraint    41 glu     hb2        42 thr    hg21       4.347  0.000   1
constraint    35 ile    hg11        36 ile       h       4.787  0.000   2
constraint    35 ile    hg12        36 ile       h       4.787  0.000   1
constraint    35 ile    hg23        36 ile       h       3.476  0.000   3
constraint    35 ile    hg22        36 ile       h       3.476  0.000   2
constraint    35 ile    hg21        36 ile       h       3.476  0.000   1
constraint    36 ile       h        36 ile      ha       3.860  0.000   1
constraint    36 ile       h        36 ile      hb       3.471  0.000   1
constraint    36 ile       h        36 ile    hg11       3.884  0.000   2
constraint    36 ile       h        36 ile    hg12       3.884  0.000   1
constraint    36 ile       h        36 ile    hg23       4.179  0.000   3
constraint    36 ile       h        36 ile    hg22       4.179  0.000   2
constraint    36 ile       h        36 ile    hg21       4.179  0.000   1
constraint    36 ile       h        36 ile     hd3       4.046  0.000   3
constraint    36 ile       h        36 ile     hd2       4.046  0.000   2
constraint    36 ile       h        36 ile     hd1       4.046  0.000   1
constraint    36 ile       h        37 glu       h       5.000  0.000   1
constraint    36 ile       h        37 glu     hg1       4.961  0.000   2
constraint    36 ile       h        37 glu     hg2       4.961  0.000   1
constraint    36 ile       h        37 glu     hg1       8.000  0.000   2
constraint    36 ile       h        37 glu     hg2       8.000  0.000   1
constraint    36 ile      ha        36 ile      hb       3.573  0.000   1
constraint    36 ile      ha        36 ile    hg23       3.074  0.000   3
constraint    36 ile      ha        36 ile    hg22       3.074  0.000   2
constraint    36 ile      ha        36 ile    hg21       3.074  0.000   1
constraint    36 ile      ha        37 glu       h       2.991  0.000   1
constraint    36 ile    hg23        38 ala      ha       5.000  0.000   3
constraint    36 ile    hg22        38 ala      ha       5.000  0.000   2
constraint    36 ile    hg21        38 ala      ha       5.000  0.000   1
constraint    36 ile     hd3        93 leu       h       3.948  0.000  21
constraint    36 ile     hd2        93 leu       h       3.948  0.000  20
constraint    36 ile     hd1        93 leu       h       3.948  0.000  19
constraint    64 leu    hd13        67 ile       h       3.948  0.000  18
constraint    64 leu    hd12        67 ile       h       3.948  0.000  17
constraint    64 leu    hd11        67 ile       h       3.948  0.000  16
constraint    64 leu    hd23        67 ile       h       3.948  0.000  15
constraint    64 leu    hd22        67 ile       h       3.948  0.000  14
constraint    64 leu    hd21        67 ile       h       3.948  0.000  13
constraint    67 ile       h        70 leu    hd13       3.948  0.000  12
constraint    67 ile       h        70 leu    hd12       3.948  0.000  11
constraint    67 ile       h        70 leu    hd11       3.948  0.000  10
constraint    67 ile       h        70 leu    hd23       3.948  0.000   9
constraint    67 ile       h        70 leu    hd22       3.948  0.000   8
constraint    67 ile       h        70 leu    hd21       3.948  0.000   7
constraint    93 leu       h        93 leu    hd13       3.948  0.000   6
constraint    93 leu       h        93 leu    hd12       3.948  0.000   5
constraint    93 leu       h        93 leu    hd11       3.948  0.000   4
constraint    93 leu       h        93 leu    hd23       3.948  0.000   3
constraint    93 leu       h        93 leu    hd22       3.948  0.000   2
constraint    93 leu       h        93 leu    hd21       3.948  0.000   1
constraint    37 glu       h        37 glu      ha       2.958  0.000   2
constraint    53 val      ha        54 val       h       2.958  0.000   1
constraint    37 glu       h        37 glu     hb1       3.732  0.000   2
constraint    37 glu       h        37 glu     hb2       3.732  0.000   1
constraint    37 glu       h        38 ala      ha       6.000  0.000   1
constraint    37 glu       h        39 phe     hd1       5.000  0.000   3
constraint    37 glu       h        39 phe     hd2       5.000  0.000   2
constraint    37 glu       h        39 phe      hz       5.000  0.000   1
constraint    37 glu       h        39 phe     he1       5.000  0.000   2
constraint    37 glu       h        39 phe     he2       5.000  0.000   1
constraint    37 glu      ha        37 glu     hb1       3.167  0.000   2
constraint    37 glu      ha        37 glu     hb2       3.167  0.000   1
constraint    37 glu      ha        38 ala       h       2.906  0.000   1
constraint    37 glu      ha        38 ala      ha       4.820  0.000   1
constraint    37 glu      ha        38 ala     hb3       4.088  0.000   3
constraint    37 glu      ha        38 ala     hb2       4.088  0.000   2
constraint    37 glu      ha        38 ala     hb1       4.088  0.000   1
constraint    37 glu      ha        39 phe     he1       4.902  0.000   2
constraint    37 glu      ha        39 phe     he2       4.902  0.000   1
constraint    37 glu     hb1        37 glu     hg1       3.235  0.000   4
constraint    37 glu     hb1        37 glu     hg2       3.235  0.000   3
constraint    37 glu     hb2        37 glu     hg1       3.235  0.000   2
constraint    37 glu     hb2        37 glu     hg2       3.235  0.000   1
constraint    37 glu     hb1        38 ala       h       3.419  0.000   2
constraint    37 glu     hb2        38 ala       h       3.419  0.000   1
constraint    37 glu     hb1        38 ala      ha       5.000  0.000   2
constraint    37 glu     hb2        38 ala      ha       5.000  0.000   1
constraint    37 glu     hb1        39 phe     he1       3.252  0.000   4
constraint    37 glu     hb1        39 phe     he2       3.252  0.000   3
constraint    37 glu     hb2        39 phe     he1       3.252  0.000   2
constraint    37 glu     hb2        39 phe     he2       3.252  0.000   1
constraint    37 glu     hb1        39 phe      hz       3.420  0.000   2
constraint    37 glu     hb2        39 phe      hz       3.420  0.000   1
constraint    37 glu     hg1        38 ala       h       4.464  0.000   2
constraint    37 glu     hg2        38 ala       h       4.464  0.000   1
constraint    37 glu     hg1        39 phe     he1       4.116  0.000   4
constraint    37 glu     hg1        39 phe     he2       4.116  0.000   3
constraint    37 glu     hg2        39 phe     he1       4.116  0.000   2
constraint    37 glu     hg2        39 phe     he2       4.116  0.000   1
constraint    37 glu     hg1        39 phe     he1       4.734  0.000   2
constraint    37 glu     hg1        39 phe     he2       4.734  0.000   1
constraint    37 glu     hg1        39 phe      hz       4.355  0.000   2
constraint    37 glu     hg2        39 phe      hz       4.355  0.000   1
constraint    37 glu     hg2        39 phe     he1       4.734  0.000   2
constraint    37 glu     hg2        39 phe     he2       4.734  0.000   1
constraint    38 ala       h        39 phe       h       4.872  0.000   1
constraint    38 ala       h        39 phe     hd1       5.000  0.000   3
constraint    38 ala       h        39 phe     hd2       5.000  0.000   2
constraint    38 ala       h        39 phe      hz       5.000  0.000   1
constraint    38 ala       h        39 phe     he1       5.000  0.000   2
constraint    38 ala       h        39 phe     he2       5.000  0.000   1
constraint    38 ala      ha        39 phe       h       2.999  0.000   1
constraint    38 ala      ha        39 phe      ha       4.796  0.000   1
constraint    38 ala      ha        39 phe     hb1       4.965  0.000   2
constraint    38 ala      ha        39 phe     hb2       4.965  0.000   1
constraint    38 ala      ha        39 phe     hd1       4.006  0.000   2
constraint    38 ala      ha        39 phe     hd2       4.006  0.000   1
constraint    38 ala      ha        39 phe     he1       5.000  0.000   2
constraint    38 ala      ha        39 phe     he2       5.000  0.000   1
constraint    38 ala     hb3        39 phe       h       3.340  0.000   3
constraint    38 ala     hb2        39 phe       h       3.340  0.000   2
constraint    38 ala     hb1        39 phe       h       3.340  0.000   1
constraint    38 ala     hb3        84 tyr     he1       5.000  0.000  30
constraint    38 ala     hb2        84 tyr     he1       5.000  0.000  29
constraint    38 ala     hb1        84 tyr     he1       5.000  0.000  28
constraint    38 ala     hb3        84 tyr     he2       5.000  0.000  27
constraint    38 ala     hb2        84 tyr     he2       5.000  0.000  26
constraint    38 ala     hb1        84 tyr     he2       5.000  0.000  25
constraint    78 val    hg13        84 tyr     he1       5.000  0.000  24
constraint    78 val    hg12        84 tyr     he1       5.000  0.000  23
constraint    78 val    hg11        84 tyr     he1       5.000  0.000  22
constraint    78 val    hg13        84 tyr     he2       5.000  0.000  21
constraint    78 val    hg12        84 tyr     he2       5.000  0.000  20
constraint    78 val    hg11        84 tyr     he2       5.000  0.000  19
constraint    78 val    hg23        84 tyr     he1       5.000  0.000  18
constraint    78 val    hg22        84 tyr     he1       5.000  0.000  17
constraint    78 val    hg21        84 tyr     he1       5.000  0.000  16
constraint    78 val    hg23        84 tyr     he2       5.000  0.000  15
constraint    78 val    hg22        84 tyr     he2       5.000  0.000  14
constraint    78 val    hg21        84 tyr     he2       5.000  0.000  13
constraint    84 tyr     he1        92 val    hg13       5.000  0.000  12
constraint    84 tyr     he1        92 val    hg12       5.000  0.000  11
constraint    84 tyr     he1        92 val    hg11       5.000  0.000  10
constraint    84 tyr     he1        92 val    hg23       5.000  0.000   9
constraint    84 tyr     he1        92 val    hg22       5.000  0.000   8
constraint    84 tyr     he1        92 val    hg21       5.000  0.000   7
constraint    84 tyr     he2        92 val    hg13       5.000  0.000   6
constraint    84 tyr     he2        92 val    hg12       5.000  0.000   5
constraint    84 tyr     he2        92 val    hg11       5.000  0.000   4
constraint    84 tyr     he2        92 val    hg23       5.000  0.000   3
constraint    84 tyr     he2        92 val    hg22       5.000  0.000   2
constraint    84 tyr     he2        92 val    hg21       5.000  0.000   1
constraint    39 phe       h        39 phe     hb1       3.689  0.000   2
constraint    39 phe       h        39 phe     hb2       3.689  0.000   1
constraint    39 phe       h        39 phe     hb1       4.373  0.000   1
constraint    39 phe       h        39 phe     hb2       4.373  0.000   1
constraint    39 phe       h        39 phe     hd1       3.650  0.000   2
constraint    39 phe       h        39 phe     hd2       3.650  0.000   1
constraint    39 phe       h        39 phe     he1       8.000  0.000   2
constraint    39 phe       h        39 phe     he2       8.000  0.000   1
constraint    39 phe      ha        39 phe     hb1       4.193  0.000   2
constraint    39 phe      ha        39 phe     hb2       4.193  0.000   1
constraint    39 phe      ha        39 phe     hd1       3.673  0.000   2
constraint    39 phe      ha        39 phe     hd2       3.673  0.000   1
constraint    39 phe      ha        39 phe     he1       4.774  0.000   2
constraint    39 phe      ha        39 phe     he2       4.774  0.000   1
constraint    39 phe      ha        40 pro     hg1       3.884  0.000   4
constraint    39 phe      ha        40 pro     hg2       3.884  0.000   3
constraint    40 pro      ha        40 pro     hg1       3.884  0.000   2
constraint    40 pro      ha        40 pro     hg2       3.884  0.000   1
constraint    39 phe      ha        40 pro     hd1       3.420  0.000   4
constraint    39 phe      ha        40 pro     hd2       3.420  0.000   3
constraint    40 pro      ha        40 pro     hd1       3.420  0.000   2
constraint    40 pro      ha        40 pro     hd2       3.420  0.000   1
constraint    39 phe      ha        42 thr       h       5.000  0.000   2
constraint    40 pro      ha        42 thr       h       5.000  0.000   1
constraint    39 phe      ha        43 leu    hd13       4.042  0.000   6
constraint    39 phe      ha        43 leu    hd12       4.042  0.000   5
constraint    39 phe      ha        43 leu    hd11       4.042  0.000   4
constraint    39 phe      ha        43 leu    hd23       4.042  0.000   3
constraint    39 phe      ha        43 leu    hd22       4.042  0.000   2
constraint    39 phe      ha        43 leu    hd21       4.042  0.000   1
constraint    39 phe     hb1        40 pro     hg1       4.664  0.000  12
constraint    39 phe     hb1        40 pro     hg2       4.664  0.000  11
constraint    39 phe     hb2        40 pro     hg1       4.664  0.000  10
constraint    39 phe     hb2        40 pro     hg2       4.664  0.000   9
constraint    65 pro     hg1        69 arg     hd1       4.664  0.000   8
constraint    65 pro     hg1        69 arg     hd2       4.664  0.000   7
constraint    65 pro     hg2        69 arg     hd1       4.664  0.000   6
constraint    65 pro     hg2        69 arg     hd2       4.664  0.000   5
constraint    68 gln     hb1        69 arg     hd1       4.664  0.000   4
constraint    68 gln     hb1        69 arg     hd2       4.664  0.000   3
constraint    68 gln     hb2        69 arg     hd1       4.664  0.000   2
constraint    68 gln     hb2        69 arg     hd2       4.664  0.000   1
constraint    39 phe     hb1        40 pro     hd1       3.528  0.000   4
constraint    39 phe     hb1        40 pro     hd2       3.528  0.000   3
constraint    39 phe     hb2        40 pro     hd1       3.528  0.000   2
constraint    39 phe     hb2        40 pro     hd2       3.528  0.000   1
constraint    39 phe     hb1        43 leu       h       8.000  0.000   2
constraint    39 phe     hb2        43 leu       h       8.000  0.000   1
constraint    39 phe     hb1        43 leu     hb1       4.254  0.000   6
constraint    39 phe     hb1        43 leu     hb2       4.254  0.000   5
constraint    39 phe     hb1        43 leu      hg       4.254  0.000   4
constraint    39 phe     hb2        43 leu     hb1       4.254  0.000   3
constraint    39 phe     hb2        43 leu     hb2       4.254  0.000   2
constraint    39 phe     hb2        43 leu      hg       4.254  0.000   1
constraint    39 phe     hb1        43 leu    hd13       3.616  0.000  16
constraint    39 phe     hb1        43 leu    hd12       3.616  0.000  15
constraint    39 phe     hb1        43 leu    hd11       3.616  0.000  14
constraint    39 phe     hb1        43 leu    hd23       3.616  0.000  13
constraint    39 phe     hb1        43 leu    hd22       3.616  0.000  12
constraint    39 phe     hb1        43 leu    hd21       3.616  0.000  11
constraint    39 phe     hb1        47 lys     hg1       3.616  0.000  10
constraint    39 phe     hb1        47 lys     hg2       3.616  0.000   9
constraint    39 phe     hb2        43 leu    hd13       3.616  0.000   8
constraint    39 phe     hb2        43 leu    hd12       3.616  0.000   7
constraint    39 phe     hb2        43 leu    hd11       3.616  0.000   6
constraint    39 phe     hb2        43 leu    hd23       3.616  0.000   5
constraint    39 phe     hb2        43 leu    hd22       3.616  0.000   4
constraint    39 phe     hb2        43 leu    hd21       3.616  0.000   3
constraint    39 phe     hb2        47 lys     hg1       3.616  0.000   2
constraint    39 phe     hb2        47 lys     hg2       3.616  0.000   1
constraint    39 phe     hb1        43 leu    hd13       5.000  0.000  12
constraint    39 phe     hb1        43 leu    hd12       5.000  0.000  11
constraint    39 phe     hb1        43 leu    hd11       5.000  0.000  10
constraint    39 phe     hb1        43 leu    hd23       5.000  0.000   9
constraint    39 phe     hb1        43 leu    hd22       5.000  0.000   8
constraint    39 phe     hb1        43 leu    hd21       5.000  0.000   7
constraint    39 phe     hb2        43 leu    hd13       5.000  0.000   6
constraint    39 phe     hb2        43 leu    hd12       5.000  0.000   5
constraint    39 phe     hb2        43 leu    hd11       5.000  0.000   4
constraint    39 phe     hb2        43 leu    hd23       5.000  0.000   3
constraint    39 phe     hb2        43 leu    hd22       5.000  0.000   2
constraint    39 phe     hb2        43 leu    hd21       5.000  0.000   1
constraint    39 phe     hb1        47 lys     hg1       5.000  0.000   2
constraint    39 phe     hb1        47 lys     hg2       5.000  0.000   1
constraint    39 phe     hb1        48 gly       h       5.000  0.000   4
constraint    39 phe     hb2        48 gly       h       5.000  0.000   3
constraint    48 gly       h        49 gln     hg1       5.000  0.000   2
constraint    48 gly       h        49 gln     hg2       5.000  0.000   1
constraint    39 phe     hb2        47 lys     hg1       5.000  0.000   2
constraint    39 phe     hb2        47 lys     hg2       5.000  0.000   1
constraint    39 phe     hd1        40 pro     hd1       3.480  0.000   4
constraint    39 phe     hd1        40 pro     hd2       3.480  0.000   3
constraint    39 phe     hd2        40 pro     hd1       3.480  0.000   2
constraint    39 phe     hd2        40 pro     hd2       3.480  0.000   1
constraint    39 phe     hd1        40 pro     hd1       4.047  0.000   2
constraint    39 phe     hd2        40 pro     hd1       4.047  0.000   1
constraint    39 phe     hd1        40 pro     hd2       4.047  0.000   2
constraint    39 phe     hd2        40 pro     hd2       4.047  0.000   1
constraint    39 phe     hd1        43 leu       h       7.000  0.000   2
constraint    39 phe     hd2        43 leu       h       7.000  0.000   1
constraint    39 phe     hd1        43 leu     hb1       4.277  0.000   6
constraint    39 phe     hd1        43 leu     hb2       4.277  0.000   5
constraint    39 phe     hd1        43 leu      hg       4.277  0.000   4
constraint    39 phe     hd2        43 leu     hb1       4.277  0.000   3
constraint    39 phe     hd2        43 leu     hb2       4.277  0.000   2
constraint    39 phe     hd2        43 leu      hg       4.277  0.000   1
constraint    39 phe     hd1        43 leu     hb1       4.544  0.000   4
constraint    39 phe     hd1        43 leu     hb2       4.544  0.000   3
constraint    39 phe     hd2        43 leu     hb1       4.544  0.000   2
constraint    39 phe     hd2        43 leu     hb2       4.544  0.000   1
constraint    39 phe     hd1        43 leu    hd13       4.333  0.000  12
constraint    39 phe     hd1        43 leu    hd12       4.333  0.000  11
constraint    39 phe     hd1        43 leu    hd11       4.333  0.000  10
constraint    39 phe     hd1        43 leu    hd23       4.333  0.000   9
constraint    39 phe     hd1        43 leu    hd22       4.333  0.000   8
constraint    39 phe     hd1        43 leu    hd21       4.333  0.000   7
constraint    39 phe     hd2        43 leu    hd13       4.333  0.000   6
constraint    39 phe     hd2        43 leu    hd12       4.333  0.000   5
constraint    39 phe     hd2        43 leu    hd11       4.333  0.000   4
constraint    39 phe     hd2        43 leu    hd23       4.333  0.000   3
constraint    39 phe     hd2        43 leu    hd22       4.333  0.000   2
constraint    39 phe     hd2        43 leu    hd21       4.333  0.000   1
constraint    39 phe     hd1        44 ala      ha       4.040  0.000   4
constraint    39 phe     hd1        47 lys     he2       4.040  0.000   3
constraint    39 phe     hd2        44 ala      ha       4.040  0.000   2
constraint    39 phe     hd2        47 lys     he2       4.040  0.000   1
constraint    39 phe     hd1        44 ala     hb3       7.500  0.000   9
constraint    39 phe     hd1        44 ala     hb2       7.500  0.000   8
constraint    39 phe     hd1        44 ala     hb1       7.500  0.000   7
constraint    39 phe     hd2        44 ala     hb3       7.500  0.000   6
constraint    39 phe     hd2        44 ala     hb2       7.500  0.000   5
constraint    39 phe     hd2        44 ala     hb1       7.500  0.000   4
constraint    39 phe      hz        44 ala     hb3       7.500  0.000   3
constraint    39 phe      hz        44 ala     hb2       7.500  0.000   2
constraint    39 phe      hz        44 ala     hb1       7.500  0.000   1
constraint    39 phe     hd1        47 lys      ha       7.000  0.000   3
constraint    39 phe     hd2        47 lys      ha       7.000  0.000   2
constraint    39 phe      hz        47 lys      ha       7.000  0.000   1
constraint    39 phe     hd1        47 lys     hb1       4.621  0.000   6
constraint    39 phe     hd1        47 lys     hb2       4.621  0.000   5
constraint    39 phe     hd2        47 lys     hb1       4.621  0.000   4
constraint    39 phe     hd2        47 lys     hb2       4.621  0.000   3
constraint    39 phe      hz        47 lys     hb1       4.621  0.000   2
constraint    39 phe      hz        47 lys     hb2       4.621  0.000   1
constraint    39 phe     hd1        47 lys     hg1       4.147  0.000   6
constraint    39 phe     hd1        47 lys     hg2       4.147  0.000   5
constraint    39 phe     hd2        47 lys     hg1       4.147  0.000   4
constraint    39 phe     hd2        47 lys     hg2       4.147  0.000   3
constraint    39 phe      hz        47 lys     hg1       4.147  0.000   2
constraint    39 phe      hz        47 lys     hg2       4.147  0.000   1
constraint    39 phe     he1        40 pro     hd1       7.000  0.000   4
constraint    39 phe     he1        40 pro     hd2       7.000  0.000   3
constraint    39 phe     he2        40 pro     hd1       7.000  0.000   2
constraint    39 phe     he2        40 pro     hd2       7.000  0.000   1
constraint    39 phe     he1        43 leu     hb1       7.000  0.000   6
constraint    39 phe     he1        43 leu     hb2       7.000  0.000   5
constraint    39 phe     he1        43 leu      hg       7.000  0.000   4
constraint    39 phe     he2        43 leu     hb1       7.000  0.000   3
constraint    39 phe     he2        43 leu     hb2       7.000  0.000   2
constraint    39 phe     he2        43 leu      hg       7.000  0.000   1
constraint    39 phe     he1        43 leu    hd13       3.663  0.000  12
constraint    39 phe     he1        43 leu    hd12       3.663  0.000  11
constraint    39 phe     he1        43 leu    hd11       3.663  0.000  10
constraint    39 phe     he1        43 leu    hd23       3.663  0.000   9
constraint    39 phe     he1        43 leu    hd22       3.663  0.000   8
constraint    39 phe     he1        43 leu    hd21       3.663  0.000   7
constraint    39 phe     he2        43 leu    hd13       3.663  0.000   6
constraint    39 phe     he2        43 leu    hd12       3.663  0.000   5
constraint    39 phe     he2        43 leu    hd11       3.663  0.000   4
constraint    39 phe     he2        43 leu    hd23       3.663  0.000   3
constraint    39 phe     he2        43 leu    hd22       3.663  0.000   2
constraint    39 phe     he2        43 leu    hd21       3.663  0.000   1
constraint    39 phe     he1        43 leu    hd13       5.000  0.000   6
constraint    39 phe     he1        43 leu    hd12       5.000  0.000   5
constraint    39 phe     he1        43 leu    hd11       5.000  0.000   4
constraint    39 phe     he2        43 leu    hd13       5.000  0.000   3
constraint    39 phe     he2        43 leu    hd12       5.000  0.000   2
constraint    39 phe     he2        43 leu    hd11       5.000  0.000   1
constraint    39 phe     he1        43 leu    hd23       5.000  0.000   6
constraint    39 phe     he1        43 leu    hd22       5.000  0.000   5
constraint    39 phe     he1        43 leu    hd21       5.000  0.000   4
constraint    39 phe     he2        43 leu    hd23       5.000  0.000   3
constraint    39 phe     he2        43 leu    hd22       5.000  0.000   2
constraint    39 phe     he2        43 leu    hd21       5.000  0.000   1
constraint    39 phe     he1        44 ala      ha       3.878  0.000   4
constraint    39 phe     he1        47 lys     he2       3.878  0.000   3
constraint    39 phe     he2        44 ala      ha       3.878  0.000   2
constraint    39 phe     he2        47 lys     he2       3.878  0.000   1
constraint    39 phe     he1        47 lys       h       8.000  0.000   2
constraint    39 phe     he2        47 lys       h       8.000  0.000   1
constraint    39 phe     he1        47 lys      ha       5.000  0.000   2
constraint    39 phe     he2        47 lys      ha       5.000  0.000   1
constraint    39 phe     he1        47 lys     hb1       4.230  0.000  10
constraint    39 phe     he1        47 lys     hb2       4.230  0.000   9
constraint    39 phe     he1        51 ala     hb3       4.230  0.000   8
constraint    39 phe     he1        51 ala     hb2       4.230  0.000   7
constraint    39 phe     he1        51 ala     hb1       4.230  0.000   6
constraint    39 phe     he2        47 lys     hb1       4.230  0.000   5
constraint    39 phe     he2        47 lys     hb2       4.230  0.000   4
constraint    39 phe     he2        51 ala     hb3       4.230  0.000   3
constraint    39 phe     he2        51 ala     hb2       4.230  0.000   2
constraint    39 phe     he2        51 ala     hb1       4.230  0.000   1
constraint    39 phe     he1        47 lys     hb1       4.997  0.000   4
constraint    39 phe     he1        47 lys     hb2       4.997  0.000   3
constraint    39 phe     he2        47 lys     hb1       4.997  0.000   2
constraint    39 phe     he2        47 lys     hb2       4.997  0.000   1
constraint    39 phe     he1        47 lys     hg1       4.383  0.000   4
constraint    39 phe     he1        47 lys     hg2       4.383  0.000   3
constraint    39 phe     he2        47 lys     hg1       4.383  0.000   2
constraint    39 phe     he2        47 lys     hg2       4.383  0.000   1
constraint    39 phe     he1        47 lys     he1       4.486  0.000   2
constraint    39 phe     he2        47 lys     he1       4.486  0.000   1
constraint    40 pro      ha        40 pro     hb1       3.817  0.000   2
constraint    40 pro      ha        40 pro     hb2       3.817  0.000   1
constraint    40 pro      ha        41 glu       h       3.499  0.000   1
constraint    40 pro      ha        41 glu      ha       5.000  0.000   1
constraint    40 pro     hb1        40 pro     hd1       4.203  0.000   4
constraint    40 pro     hb1        40 pro     hd2       4.203  0.000   3
constraint    40 pro     hb2        40 pro     hd1       4.203  0.000   2
constraint    40 pro     hb2        40 pro     hd2       4.203  0.000   1
constraint    40 pro     hb1        41 glu       h       4.326  0.000   4
constraint    40 pro     hb2        41 glu       h       4.326  0.000   3
constraint    41 glu       h        41 glu     hb1       4.326  0.000   2
constraint    41 glu       h        41 glu     hb2       4.326  0.000   1
constraint    40 pro     hb1        41 glu       h       3.859  0.000   2
constraint    40 pro     hb2        41 glu       h       3.859  0.000   1
constraint    40 pro     hb1        41 glu       h       4.338  0.000   1
constraint    40 pro     hb1        41 glu      ha       5.000  0.000   4
constraint    40 pro     hb1        42 thr      ha       5.000  0.000   3
constraint    40 pro     hb2        41 glu      ha       5.000  0.000   2
constraint    40 pro     hb2        42 thr      ha       5.000  0.000   1
constraint    40 pro     hb1        42 thr       h       3.676  0.000   4
constraint    40 pro     hb2        42 thr       h       3.676  0.000   3
constraint    41 glu     hb1        42 thr       h       3.676  0.000   2
constraint    41 glu     hb2        42 thr       h       3.676  0.000   1
constraint    40 pro     hb1        42 thr       h       4.482  0.000   2
constraint    40 pro     hb2        42 thr       h       4.482  0.000   1
constraint    40 pro     hb1        42 thr     hg1       5.000  0.000   4
constraint    40 pro     hb2        42 thr     hg1       5.000  0.000   3
constraint    41 glu     hb1        42 thr     hg1       5.000  0.000   2
constraint    41 glu     hb2        42 thr     hg1       5.000  0.000   1
constraint    40 pro     hb1        42 thr     hg1       6.000  0.000   2
constraint    40 pro     hb2        42 thr     hg1       6.000  0.000   1
constraint    40 pro     hb1        42 thr    hg23       7.000  0.000   6
constraint    40 pro     hb1        42 thr    hg22       7.000  0.000   5
constraint    40 pro     hb1        42 thr    hg21       7.000  0.000   4
constraint    40 pro     hb2        42 thr    hg23       7.000  0.000   3
constraint    40 pro     hb2        42 thr    hg22       7.000  0.000   2
constraint    40 pro     hb2        42 thr    hg21       7.000  0.000   1
constraint    40 pro     hb2        41 glu       h       4.338  0.000   1
constraint    40 pro     hg1        42 thr     hg1       5.000  0.000   2
constraint    40 pro     hg2        42 thr     hg1       5.000  0.000   1
constraint    40 pro     hd1        41 glu       h       6.581  0.000   2
constraint    40 pro     hd2        41 glu       h       6.581  0.000   1
constraint    40 pro     hd1        41 glu       h       8.000  0.000   1
constraint    40 pro     hd2        41 glu       h       8.000  0.000   1
constraint    41 glu       h        41 glu      ha       3.731  0.000   1
constraint    41 glu       h        41 glu     hb1       3.736  0.000   2
constraint    41 glu       h        41 glu     hb2       3.736  0.000   1
constraint    41 glu       h        41 glu     hb1       4.326  0.000   1
constraint    41 glu       h        41 glu     hb2       4.326  0.000   1
constraint    41 glu       h        41 glu     hg1       3.893  0.000   2
constraint    41 glu       h        41 glu     hg2       3.893  0.000   1
constraint    41 glu       h        41 glu     hg1       4.421  0.000   1
constraint    41 glu       h        41 glu     hg2       4.421  0.000   1
constraint    41 glu       h        42 thr       h       3.855  0.000   1
constraint    41 glu       h        42 thr    hg23       5.000  0.000   3
constraint    41 glu       h        42 thr    hg22       5.000  0.000   2
constraint    41 glu       h        42 thr    hg21       5.000  0.000   1
constraint    41 glu       h        43 leu       h       5.000  0.000   1
constraint    41 glu       h        60 ile    hg23       4.723  0.000   6
constraint    41 glu       h        60 ile    hg22       4.723  0.000   5
constraint    41 glu       h        60 ile    hg21       4.723  0.000   4
constraint    41 glu       h        60 ile     hd3       4.723  0.000   3
constraint    41 glu       h        60 ile     hd2       4.723  0.000   2
constraint    41 glu       h        60 ile     hd1       4.723  0.000   1
constraint    41 glu      ha        41 glu     hg1       3.994  0.000   4
constraint    41 glu      ha        41 glu     hg2       3.994  0.000   3
constraint    41 glu     hg1        42 thr      ha       3.994  0.000   2
constraint    41 glu     hg2        42 thr      ha       3.994  0.000   1
constraint    41 glu      ha        43 leu       h       3.554  0.000   1
constraint    41 glu      ha        44 ala       h       3.939  0.000   2
constraint    42 thr      ha        44 ala       h       3.939  0.000   1
constraint    41 glu      ha        44 ala     hb3       3.731  0.000   3
constraint    41 glu      ha        44 ala     hb2       3.731  0.000   2
constraint    41 glu      ha        44 ala     hb1       3.731  0.000   1
constraint    41 glu      ha        67 ile     hd3       4.634  0.000   6
constraint    41 glu      ha        67 ile     hd2       4.634  0.000   5
constraint    41 glu      ha        67 ile     hd1       4.634  0.000   4
constraint    42 thr      ha        67 ile     hd3       4.634  0.000   3
constraint    42 thr      ha        67 ile     hd2       4.634  0.000   2
constraint    42 thr      ha        67 ile     hd1       4.634  0.000   1
constraint    41 glu     hb1        60 ile       h       4.467  0.000  13
constraint    41 glu     hb2        60 ile       h       4.467  0.000  12
constraint    49 gln     hb1        71 leu       h       4.467  0.000  11
constraint    49 gln     hb2        71 leu       h       4.467  0.000  10
constraint    60 ile       h        64 leu     hb1       4.467  0.000   9
constraint    60 ile       h        64 leu     hb2       4.467  0.000   8
constraint    60 ile       h        78 val      hb       4.467  0.000   7
constraint    68 gln     hb1        71 leu       h       4.467  0.000   6
constraint    68 gln     hb2        71 leu       h       4.467  0.000   5
constraint    69 arg     hb1        71 leu       h       4.467  0.000   4
constraint    69 arg     hb2        71 leu       h       4.467  0.000   3
constraint    71 leu       h        72 pro     hb1       4.467  0.000   2
constraint    71 leu       h        72 pro     hb2       4.467  0.000   1
constraint    41 glu     hg1        41 glu     hg2       2.762  0.000   1
constraint    41 glu     hg1        42 thr       h       3.611  0.000   2
constraint    41 glu     hg2        42 thr       h       3.611  0.000   1
constraint    41 glu     hg1        42 thr       h       4.123  0.000   1
constraint    41 glu     hg1        42 thr    hg23       3.621  0.000   6
constraint    41 glu     hg1        42 thr    hg22       3.621  0.000   5
constraint    41 glu     hg1        42 thr    hg21       3.621  0.000   4
constraint    41 glu     hg2        42 thr    hg23       3.621  0.000   3
constraint    41 glu     hg2        42 thr    hg22       3.621  0.000   2
constraint    41 glu     hg2        42 thr    hg21       3.621  0.000   1
constraint    41 glu     hg1        42 thr    hg23       4.461  0.000   3
constraint    41 glu     hg1        42 thr    hg22       4.461  0.000   2
constraint    41 glu     hg1        42 thr    hg21       4.461  0.000   1
constraint    41 glu     hg1        60 ile    hg23       3.405  0.000  36
constraint    41 glu     hg1        60 ile    hg22       3.405  0.000  35
constraint    41 glu     hg1        60 ile    hg21       3.405  0.000  34
constraint    41 glu     hg1        60 ile     hd3       3.405  0.000  33
constraint    41 glu     hg1        60 ile     hd2       3.405  0.000  32
constraint    41 glu     hg1        60 ile     hd1       3.405  0.000  31
constraint    41 glu     hg2        60 ile    hg23       3.405  0.000  30
constraint    41 glu     hg2        60 ile    hg22       3.405  0.000  29
constraint    41 glu     hg2        60 ile    hg21       3.405  0.000  28
constraint    41 glu     hg2        60 ile     hd3       3.405  0.000  27
constraint    41 glu     hg2        60 ile     hd2       3.405  0.000  26
constraint    41 glu     hg2        60 ile     hd1       3.405  0.000  25
constraint    52 asp     hb1        53 val    hg13       3.405  0.000  24
constraint    52 asp     hb1        53 val    hg12       3.405  0.000  23
constraint    52 asp     hb1        53 val    hg11       3.405  0.000  22
constraint    52 asp     hb1        53 val    hg23       3.405  0.000  21
constraint    52 asp     hb1        53 val    hg22       3.405  0.000  20
constraint    52 asp     hb1        53 val    hg21       3.405  0.000  19
constraint    52 asp     hb1        54 val    hg13       3.405  0.000  18
constraint    52 asp     hb1        54 val    hg12       3.405  0.000  17
constraint    52 asp     hb1        54 val    hg11       3.405  0.000  16
constraint    52 asp     hb1        54 val    hg23       3.405  0.000  15
constraint    52 asp     hb1        54 val    hg22       3.405  0.000  14
constraint    52 asp     hb1        54 val    hg21       3.405  0.000  13
constraint    52 asp     hb2        53 val    hg13       3.405  0.000  12
constraint    52 asp     hb2        53 val    hg12       3.405  0.000  11
constraint    52 asp     hb2        53 val    hg11       3.405  0.000  10
constraint    52 asp     hb2        53 val    hg23       3.405  0.000   9
constraint    52 asp     hb2        53 val    hg22       3.405  0.000   8
constraint    52 asp     hb2        53 val    hg21       3.405  0.000   7
constraint    52 asp     hb2        54 val    hg13       3.405  0.000   6
constraint    52 asp     hb2        54 val    hg12       3.405  0.000   5
constraint    52 asp     hb2        54 val    hg11       3.405  0.000   4
constraint    52 asp     hb2        54 val    hg23       3.405  0.000   3
constraint    52 asp     hb2        54 val    hg22       3.405  0.000   2
constraint    52 asp     hb2        54 val    hg21       3.405  0.000   1
constraint    41 glu     hg1        67 ile     hd3       4.303  0.000   6
constraint    41 glu     hg1        67 ile     hd2       4.303  0.000   5
constraint    41 glu     hg1        67 ile     hd1       4.303  0.000   4
constraint    41 glu     hg2        67 ile     hd3       4.303  0.000   3
constraint    41 glu     hg2        67 ile     hd2       4.303  0.000   2
constraint    41 glu     hg2        67 ile     hd1       4.303  0.000   1
constraint    41 glu     hg1        67 ile     hd3       7.000  0.000   3
constraint    41 glu     hg1        67 ile     hd2       7.000  0.000   2
constraint    41 glu     hg1        67 ile     hd1       7.000  0.000   1
constraint    41 glu     hg2        42 thr       h       4.123  0.000   1
constraint    41 glu     hg2        42 thr    hg23       4.461  0.000   3
constraint    41 glu     hg2        42 thr    hg22       4.461  0.000   2
constraint    41 glu     hg2        42 thr    hg21       4.461  0.000   1
constraint    41 glu     hg2        67 ile     hd3       7.000  0.000   3
constraint    41 glu     hg2        67 ile     hd2       7.000  0.000   2
constraint    41 glu     hg2        67 ile     hd1       7.000  0.000   1
constraint    42 thr       h        42 thr      hb       3.978  0.000   1
constraint    42 thr       h        42 thr     hg1       5.000  0.000   1
constraint    42 thr       h        42 thr    hg23       3.146  0.000   3
constraint    42 thr       h        42 thr    hg22       3.146  0.000   2
constraint    42 thr       h        42 thr    hg21       3.146  0.000   1
constraint    42 thr       h        43 leu       h       3.461  0.000   1
constraint    42 thr       h        43 leu      ha       7.000  0.000   1
constraint    42 thr      ha        42 thr      hb       2.940  0.000   1
constraint    42 thr      ha        42 thr     hg1       5.000  0.000   1
constraint    42 thr      ha        42 thr    hg23       2.730  0.000   3
constraint    42 thr      ha        42 thr    hg22       2.730  0.000   2
constraint    42 thr      ha        42 thr    hg21       2.730  0.000   1
constraint    42 thr     hg1        42 thr    hg23       4.221  0.000   3
constraint    42 thr     hg1        42 thr    hg22       4.221  0.000   2
constraint    42 thr     hg1        42 thr    hg21       4.221  0.000   1
constraint    42 thr     hg1        43 leu     hb1       5.000  0.000   3
constraint    42 thr     hg1        43 leu     hb2       5.000  0.000   2
constraint    42 thr     hg1        43 leu      hg       5.000  0.000   1
constraint    42 thr    hg23        43 leu       h       4.453  0.000   3
constraint    42 thr    hg22        43 leu       h       4.453  0.000   2
constraint    42 thr    hg21        43 leu       h       4.453  0.000   1
constraint    42 thr    hg23        43 leu      ha       5.000  0.000   3
constraint    42 thr    hg22        43 leu      ha       5.000  0.000   2
constraint    42 thr    hg21        43 leu      ha       5.000  0.000   1
constraint    42 thr    hg23        44 ala       h       7.000  0.000   3
constraint    42 thr    hg22        44 ala       h       7.000  0.000   2
constraint    42 thr    hg21        44 ala       h       7.000  0.000   1
constraint    43 leu       h        43 leu    hd13       3.610  0.000   6
constraint    43 leu       h        43 leu    hd12       3.610  0.000   5
constraint    43 leu       h        43 leu    hd11       3.610  0.000   4
constraint    43 leu       h        43 leu    hd23       3.610  0.000   3
constraint    43 leu       h        43 leu    hd22       3.610  0.000   2
constraint    43 leu       h        43 leu    hd21       3.610  0.000   1
constraint    43 leu       h        43 leu    hd13       4.055  0.000   3
constraint    43 leu       h        43 leu    hd12       4.055  0.000   2
constraint    43 leu       h        43 leu    hd11       4.055  0.000   1
constraint    43 leu       h        43 leu    hd23       4.055  0.000   3
constraint    43 leu       h        43 leu    hd22       4.055  0.000   2
constraint    43 leu       h        43 leu    hd21       4.055  0.000   1
constraint    43 leu       h        44 ala       h       3.333  0.000   1
constraint    43 leu       h        44 ala      ha       8.000  0.000   1
constraint    43 leu       h        44 ala     hb3       4.472  0.000   3
constraint    43 leu       h        44 ala     hb2       4.472  0.000   2
constraint    43 leu       h        44 ala     hb1       4.472  0.000   1
constraint    43 leu       h        45 gly       h       4.507  0.000   1
constraint    43 leu      ha        43 leu     hb1       3.207  0.000   3
constraint    43 leu      ha        43 leu     hb2       3.207  0.000   2
constraint    43 leu      ha        43 leu      hg       3.207  0.000   1
constraint    43 leu      ha        43 leu     hb1       3.858  0.000   2
constraint    43 leu      ha        43 leu     hb2       3.858  0.000   1
constraint    43 leu      ha        43 leu    hd13       3.904  0.000  12
constraint    43 leu      ha        43 leu    hd12       3.904  0.000  11
constraint    43 leu      ha        43 leu    hd11       3.904  0.000  10
constraint    43 leu      ha        43 leu    hd23       3.904  0.000   9
constraint    43 leu      ha        43 leu    hd22       3.904  0.000   8
constraint    43 leu      ha        43 leu    hd21       3.904  0.000   7
constraint    43 leu      ha        47 lys     hg1       3.904  0.000   6
constraint    43 leu      ha        47 lys     hg2       3.904  0.000   5
constraint    43 leu      ha        71 leu     hb1       3.904  0.000   4
constraint    43 leu      ha        71 leu     hb2       3.904  0.000   3
constraint    71 leu     hb1        73 asn      ha       3.904  0.000   2
constraint    71 leu     hb2        73 asn      ha       3.904  0.000   1
constraint    43 leu      ha        43 leu    hd13       2.953  0.000   6
constraint    43 leu      ha        43 leu    hd12       2.953  0.000   5
constraint    43 leu      ha        43 leu    hd11       2.953  0.000   4
constraint    43 leu      ha        43 leu    hd23       2.953  0.000   3
constraint    43 leu      ha        43 leu    hd22       2.953  0.000   2
constraint    43 leu      ha        43 leu    hd21       2.953  0.000   1
constraint    43 leu      ha        44 ala      ha       4.967  0.000   1
constraint    43 leu      ha        44 ala     hb3       5.000  0.000   3
constraint    43 leu      ha        44 ala     hb2       5.000  0.000   2
constraint    43 leu      ha        44 ala     hb1       5.000  0.000   1
constraint    43 leu      ha        46 glu       h       4.323  0.000   1
constraint    43 leu      ha        47 lys       h       5.000  0.000   1
constraint    43 leu      ha        47 lys     hg1       5.000  0.000   2
constraint    43 leu      ha        47 lys     hg2       5.000  0.000   1
constraint    43 leu     hb1        44 ala       h       4.619  0.000   2
constraint    43 leu     hb2        44 ala       h       4.619  0.000   1
constraint    43 leu     hb1        47 lys     hg1       3.906  0.000   6
constraint    43 leu     hb1        47 lys     hg2       3.906  0.000   5
constraint    43 leu     hb2        47 lys     hg1       3.906  0.000   4
constraint    43 leu     hb2        47 lys     hg2       3.906  0.000   3
constraint    43 leu      hg        47 lys     hg1       3.906  0.000   2
constraint    43 leu      hg        47 lys     hg2       3.906  0.000   1
constraint    43 leu     hb1        47 lys     hg1       4.637  0.000   4
constraint    43 leu     hb1        47 lys     hg2       4.637  0.000   3
constraint    43 leu     hb2        47 lys     hg1       4.637  0.000   2
constraint    43 leu     hb2        47 lys     hg2       4.637  0.000   1
constraint    43 leu     hb1        47 lys     he1       5.000  0.000   3
constraint    43 leu     hb2        47 lys     he1       5.000  0.000   2
constraint    43 leu      hg        47 lys     he1       5.000  0.000   1
constraint    43 leu    hd13        44 ala       h       4.854  0.000   6
constraint    43 leu    hd12        44 ala       h       4.854  0.000   5
constraint    43 leu    hd11        44 ala       h       4.854  0.000   4
constraint    43 leu    hd23        44 ala       h       4.854  0.000   3
constraint    43 leu    hd22        44 ala       h       4.854  0.000   2
constraint    43 leu    hd21        44 ala       h       4.854  0.000   1
constraint    43 leu    hd13        47 lys     hg1       3.991  0.000  12
constraint    43 leu    hd12        47 lys     hg1       3.991  0.000  11
constraint    43 leu    hd11        47 lys     hg1       3.991  0.000  10
constraint    43 leu    hd13        47 lys     hg2       3.991  0.000   9
constraint    43 leu    hd12        47 lys     hg2       3.991  0.000   8
constraint    43 leu    hd11        47 lys     hg2       3.991  0.000   7
constraint    43 leu    hd23        47 lys     hg1       3.991  0.000   6
constraint    43 leu    hd22        47 lys     hg1       3.991  0.000   5
constraint    43 leu    hd21        47 lys     hg1       3.991  0.000   4
constraint    43 leu    hd23        47 lys     hg2       3.991  0.000   3
constraint    43 leu    hd22        47 lys     hg2       3.991  0.000   2
constraint    43 leu    hd21        47 lys     hg2       3.991  0.000   1
constraint    43 leu    hd13        47 lys     he1       3.415  0.000   8
constraint    43 leu    hd12        47 lys     he1       3.415  0.000   7
constraint    43 leu    hd11        47 lys     he1       3.415  0.000   6
constraint    43 leu    hd23        47 lys     he1       3.415  0.000   5
constraint    43 leu    hd22        47 lys     he1       3.415  0.000   4
constraint    43 leu    hd21        47 lys     he1       3.415  0.000   3
constraint    47 lys     hg1        47 lys     he1       3.415  0.000   2
constraint    47 lys     hg2        47 lys     he1       3.415  0.000   1
constraint    44 ala       h        45 gly       h       3.705  0.000   1
constraint    44 ala       h        45 gly     ha1       5.000  0.000   2
constraint    44 ala       h        45 gly     ha2       5.000  0.000   1
constraint    44 ala       h        47 lys       h       5.000  0.000   1
constraint    44 ala       h        48 gly       h       6.000  0.000   1
constraint    44 ala       h        67 ile     hd3       4.895  0.000   3
constraint    44 ala       h        67 ile     hd2       4.895  0.000   2
constraint    44 ala       h        67 ile     hd1       4.895  0.000   1
constraint    44 ala       h        70 leu    hd13       7.000  0.000   6
constraint    44 ala       h        70 leu    hd12       7.000  0.000   5
constraint    44 ala       h        70 leu    hd11       7.000  0.000   4
constraint    44 ala       h        70 leu    hd23       7.000  0.000   3
constraint    44 ala       h        70 leu    hd22       7.000  0.000   2
constraint    44 ala       h        70 leu    hd21       7.000  0.000   1
constraint    44 ala      ha        45 gly       h       3.796  0.000   1
constraint    44 ala      ha        46 glu       h       4.544  0.000   1
constraint    44 ala      ha        47 lys     hb1       3.866  0.000   4
constraint    44 ala      ha        47 lys     hb2       3.866  0.000   3
constraint    47 lys     hb1        47 lys     he2       3.866  0.000   2
constraint    47 lys     hb2        47 lys     he2       3.866  0.000   1
constraint    44 ala      ha        47 lys     hb1       4.395  0.000   2
constraint    47 lys     hb1        47 lys     he2       4.395  0.000   1
constraint    44 ala      ha        47 lys     hb2       4.395  0.000   2
constraint    47 lys     hb2        47 lys     he2       4.395  0.000   1
constraint    44 ala      ha        48 gly       h       3.912  0.000   1
constraint    44 ala      ha        48 gly     ha1       4.729  0.000   1
constraint    44 ala      ha        48 gly     ha2       4.729  0.000   1
constraint    44 ala     hb3        45 gly       h       3.303  0.000   3
constraint    44 ala     hb2        45 gly       h       3.303  0.000   2
constraint    44 ala     hb1        45 gly       h       3.303  0.000   1
constraint    44 ala     hb3        45 gly     ha1       3.849  0.000   6
constraint    44 ala     hb2        45 gly     ha1       3.849  0.000   5
constraint    44 ala     hb1        45 gly     ha1       3.849  0.000   4
constraint    44 ala     hb3        45 gly     ha2       3.849  0.000   3
constraint    44 ala     hb2        45 gly     ha2       3.849  0.000   2
constraint    44 ala     hb1        45 gly     ha2       3.849  0.000   1
constraint    44 ala     hb3        45 gly     ha1       4.335  0.000   3
constraint    44 ala     hb2        45 gly     ha1       4.335  0.000   2
constraint    44 ala     hb1        45 gly     ha1       4.335  0.000   1
constraint    44 ala     hb3        45 gly     ha2       4.335  0.000   3
constraint    44 ala     hb2        45 gly     ha2       4.335  0.000   2
constraint    44 ala     hb1        45 gly     ha2       4.335  0.000   1
constraint    44 ala     hb3        46 glu       h       4.711  0.000   3
constraint    44 ala     hb2        46 glu       h       4.711  0.000   2
constraint    44 ala     hb1        46 glu       h       4.711  0.000   1
constraint    44 ala     hb3        48 gly       h       4.795  0.000   3
constraint    44 ala     hb2        48 gly       h       4.795  0.000   2
constraint    44 ala     hb1        48 gly       h       4.795  0.000   1
constraint    44 ala     hb3        48 gly     ha1       4.694  0.000   6
constraint    44 ala     hb2        48 gly     ha1       4.694  0.000   5
constraint    44 ala     hb1        48 gly     ha1       4.694  0.000   4
constraint    44 ala     hb3        48 gly     ha2       4.694  0.000   3
constraint    44 ala     hb2        48 gly     ha2       4.694  0.000   2
constraint    44 ala     hb1        48 gly     ha2       4.694  0.000   1
constraint    44 ala     hb3        67 ile      ha       4.365  0.000   3
constraint    44 ala     hb2        67 ile      ha       4.365  0.000   2
constraint    44 ala     hb1        67 ile      ha       4.365  0.000   1
constraint    44 ala     hb3        67 ile    hg11       3.993  0.000   9
constraint    44 ala     hb2        67 ile    hg11       3.993  0.000   8
constraint    44 ala     hb1        67 ile    hg11       3.993  0.000   7
constraint    44 ala     hb3        67 ile    hg12       3.993  0.000   6
constraint    44 ala     hb2        67 ile    hg12       3.993  0.000   5
constraint    44 ala     hb1        67 ile    hg12       3.993  0.000   4
constraint    44 ala     hb3        71 leu      hg       3.993  0.000   3
constraint    44 ala     hb2        71 leu      hg       3.993  0.000   2
constraint    44 ala     hb1        71 leu      hg       3.993  0.000   1
constraint    44 ala     hb3        67 ile    hg11       3.991  0.000   6
constraint    44 ala     hb2        67 ile    hg11       3.991  0.000   5
constraint    44 ala     hb1        67 ile    hg11       3.991  0.000   4
constraint    44 ala     hb3        67 ile    hg12       3.991  0.000   3
constraint    44 ala     hb2        67 ile    hg12       3.991  0.000   2
constraint    44 ala     hb1        67 ile    hg12       3.991  0.000   1
constraint    44 ala     hb3        67 ile     hd3       3.033  0.000   9
constraint    44 ala     hb3        67 ile     hd2       3.033  0.000   8
constraint    44 ala     hb3        67 ile     hd1       3.033  0.000   7
constraint    44 ala     hb2        67 ile     hd3       3.033  0.000   6
constraint    44 ala     hb2        67 ile     hd2       3.033  0.000   5
constraint    44 ala     hb2        67 ile     hd1       3.033  0.000   4
constraint    44 ala     hb1        67 ile     hd3       3.033  0.000   3
constraint    44 ala     hb1        67 ile     hd2       3.033  0.000   2
constraint    44 ala     hb1        67 ile     hd1       3.033  0.000   1
constraint    45 gly       h        45 gly     ha1       3.001  0.000   2
constraint    45 gly       h        45 gly     ha2       3.001  0.000   1
constraint    45 gly       h        46 glu       h       3.356  0.000   1
constraint    45 gly       h        46 glu      ha       8.000  0.000   1
constraint    45 gly       h        67 ile     hd3       5.000  0.000   3
constraint    45 gly       h        67 ile     hd2       5.000  0.000   2
constraint    45 gly       h        67 ile     hd1       5.000  0.000   1
constraint    45 gly       h        70 leu    hd13       3.737  0.000   6
constraint    45 gly       h        70 leu    hd12       3.737  0.000   5
constraint    45 gly       h        70 leu    hd11       3.737  0.000   4
constraint    45 gly       h        70 leu    hd23       3.737  0.000   3
constraint    45 gly       h        70 leu    hd22       3.737  0.000   2
constraint    45 gly       h        70 leu    hd21       3.737  0.000   1
constraint    45 gly     ha1        46 glu       h       3.871  0.000   2
constraint    45 gly     ha2        46 glu       h       3.871  0.000   1
constraint    45 gly     ha1        46 glu      ha       4.757  0.000   2
constraint    45 gly     ha2        46 glu      ha       4.757  0.000   1
constraint    45 gly     ha1        47 lys       h       4.509  0.000   3
constraint    45 gly     ha2        47 lys       h       4.509  0.000   2
constraint    96 ala       h        97 val      ha       4.509  0.000   1
constraint    45 gly     ha1        67 ile     hd3       8.000  0.000   6
constraint    45 gly     ha1        67 ile     hd2       8.000  0.000   5
constraint    45 gly     ha1        67 ile     hd1       8.000  0.000   4
constraint    45 gly     ha2        67 ile     hd3       8.000  0.000   3
constraint    45 gly     ha2        67 ile     hd2       8.000  0.000   2
constraint    45 gly     ha2        67 ile     hd1       8.000  0.000   1
constraint    45 gly     ha1        70 leu    hd13       3.393  0.000  18
constraint    45 gly     ha1        70 leu    hd12       3.393  0.000  17
constraint    45 gly     ha1        70 leu    hd11       3.393  0.000  16
constraint    45 gly     ha1        70 leu    hd23       3.393  0.000  15
constraint    45 gly     ha1        70 leu    hd22       3.393  0.000  14
constraint    45 gly     ha1        70 leu    hd21       3.393  0.000  13
constraint    45 gly     ha2        70 leu    hd13       3.393  0.000  12
constraint    45 gly     ha2        70 leu    hd12       3.393  0.000  11
constraint    45 gly     ha2        70 leu    hd11       3.393  0.000  10
constraint    45 gly     ha2        70 leu    hd23       3.393  0.000   9
constraint    45 gly     ha2        70 leu    hd22       3.393  0.000   8
constraint    45 gly     ha2        70 leu    hd21       3.393  0.000   7
constraint    61 ala      ha        64 leu    hd13       3.393  0.000   6
constraint    61 ala      ha        64 leu    hd12       3.393  0.000   5
constraint    61 ala      ha        64 leu    hd11       3.393  0.000   4
constraint    61 ala      ha        64 leu    hd23       3.393  0.000   3
constraint    61 ala      ha        64 leu    hd22       3.393  0.000   2
constraint    61 ala      ha        64 leu    hd21       3.393  0.000   1
constraint    45 gly     ha1        70 leu    hd13       3.542  0.000  12
constraint    45 gly     ha1        70 leu    hd12       3.542  0.000  11
constraint    45 gly     ha1        70 leu    hd11       3.542  0.000  10
constraint    45 gly     ha1        70 leu    hd23       3.542  0.000   9
constraint    45 gly     ha1        70 leu    hd22       3.542  0.000   8
constraint    45 gly     ha1        70 leu    hd21       3.542  0.000   7
constraint    45 gly     ha2        70 leu    hd13       3.542  0.000   6
constraint    45 gly     ha2        70 leu    hd12       3.542  0.000   5
constraint    45 gly     ha2        70 leu    hd11       3.542  0.000   4
constraint    45 gly     ha2        70 leu    hd23       3.542  0.000   3
constraint    45 gly     ha2        70 leu    hd22       3.542  0.000   2
constraint    45 gly     ha2        70 leu    hd21       3.542  0.000   1
constraint    45 gly     ha1        71 leu      hg       4.718  0.000   2
constraint    45 gly     ha2        71 leu      hg       4.718  0.000   1
constraint    46 glu       h        46 glu     hb1       3.081  0.000   4
constraint    46 glu       h        46 glu     hb2       3.081  0.000   3
constraint    46 glu       h        46 glu     hg1       3.081  0.000   2
constraint    46 glu       h        46 glu     hg2       3.081  0.000   1
constraint    46 glu       h        46 glu     hg1       4.284  0.000   2
constraint    46 glu       h        46 glu     hg2       4.284  0.000   1
constraint    46 glu       h        47 lys       h       2.991  0.000   2
constraint    95 ala       h        96 ala       h       2.991  0.000   1
constraint    46 glu       h        47 lys     hg1       8.000  0.000   2
constraint    46 glu       h        47 lys     hg2       8.000  0.000   1
constraint    46 glu      ha        46 glu     hb1       3.004  0.000   4
constraint    46 glu      ha        46 glu     hb2       3.004  0.000   3
constraint    46 glu      ha        46 glu     hg1       3.004  0.000   2
constraint    46 glu      ha        46 glu     hg2       3.004  0.000   1
constraint    46 glu      ha        46 glu     hb1       3.293  0.000   2
constraint    46 glu      ha        46 glu     hb2       3.293  0.000   1
constraint    46 glu      ha        47 lys       h       4.158  0.000   1
constraint    46 glu      ha        49 gln    he21       3.581  0.000   2
constraint    46 glu      ha        49 gln    he22       3.581  0.000   1
constraint    46 glu      ha        49 gln    he21       4.289  0.000   1
constraint    46 glu      ha        49 gln    he22       4.289  0.000   1
constraint    46 glu     hb1        47 lys       h       3.691  0.000   4
constraint    46 glu     hb2        47 lys       h       3.691  0.000   3
constraint    46 glu     hg1        47 lys       h       3.691  0.000   2
constraint    46 glu     hg2        47 lys       h       3.691  0.000   1
constraint    46 glu     hb1        47 lys       h       3.588  0.000   2
constraint    46 glu     hb2        47 lys       h       3.588  0.000   1
constraint    46 glu     hb1        47 lys     hg1       7.000  0.000   8
constraint    46 glu     hb1        47 lys     hg2       7.000  0.000   7
constraint    46 glu     hb2        47 lys     hg1       7.000  0.000   6
constraint    46 glu     hb2        47 lys     hg2       7.000  0.000   5
constraint    46 glu     hg1        47 lys     hg1       7.000  0.000   4
constraint    46 glu     hg1        47 lys     hg2       7.000  0.000   3
constraint    46 glu     hg2        47 lys     hg1       7.000  0.000   2
constraint    46 glu     hg2        47 lys     hg2       7.000  0.000   1
constraint    46 glu     hb1        47 lys     hg1       6.979  0.000   4
constraint    46 glu     hb1        47 lys     hg2       6.979  0.000   3
constraint    46 glu     hb2        47 lys     hg1       6.979  0.000   2
constraint    46 glu     hb2        47 lys     hg2       6.979  0.000   1
constraint    46 glu     hg1        47 lys       h       4.872  0.000   2
constraint    46 glu     hg2        47 lys       h       4.872  0.000   1
constraint    46 glu     hg1        49 gln    he21       4.825  0.000   4
constraint    46 glu     hg1        49 gln    he22       4.825  0.000   3
constraint    46 glu     hg2        49 gln    he21       4.825  0.000   2
constraint    46 glu     hg2        49 gln    he22       4.825  0.000   1
constraint    47 lys       h        47 lys      ha       3.659  0.000   1
constraint    47 lys       h        47 lys     hb1       3.173  0.000   2
constraint    47 lys       h        47 lys     hb2       3.173  0.000   1
constraint    47 lys       h        47 lys     hb1       3.802  0.000   1
constraint    47 lys       h        47 lys     hb2       3.802  0.000   1
constraint    47 lys       h        47 lys     hg1       4.224  0.000   2
constraint    47 lys       h        47 lys     hg2       4.224  0.000   1
constraint    47 lys       h        48 gly       h       3.474  0.000   1
constraint    47 lys       h        48 gly     ha1       7.000  0.000   2
constraint    47 lys       h        48 gly     ha2       7.000  0.000   1
constraint    47 lys      ha        47 lys     hg1       4.100  0.000   2
constraint    47 lys      ha        47 lys     hg2       4.100  0.000   1
constraint    47 lys      ha        47 lys     he1       4.923  0.000   1
constraint    47 lys      ha        50 asn       h       4.959  0.000   1
constraint    47 lys      ha        50 asn     hb1       4.872  0.000   2
constraint    47 lys      ha        50 asn     hb2       4.872  0.000   1
constraint    47 lys      ha        51 ala       h       6.000  0.000   1
constraint    47 lys     hb1        47 lys     hg1       3.277  0.000   4
constraint    47 lys     hb1        47 lys     hg2       3.277  0.000   3
constraint    47 lys     hb2        47 lys     hg1       3.277  0.000   2
constraint    47 lys     hb2        47 lys     hg2       3.277  0.000   1
constraint    47 lys     hb1        47 lys     hg1       3.697  0.000   2
constraint    47 lys     hb1        47 lys     hg2       3.697  0.000   1
constraint    47 lys     hb1        51 ala       h       5.000  0.000   4
constraint    47 lys     hb2        51 ala       h       5.000  0.000   3
constraint    51 ala       h        74 lys     hd1       5.000  0.000   2
constraint    51 ala       h        74 lys     hd2       5.000  0.000   1
constraint    47 lys     hb2        47 lys     hg1       3.697  0.000   2
constraint    47 lys     hb2        47 lys     hg2       3.697  0.000   1
constraint    47 lys     hg1        47 lys     hg2       2.835  0.000   1
constraint    47 lys     hg1        47 lys     he1       4.118  0.000   2
constraint    47 lys     hg2        47 lys     he1       4.118  0.000   1
constraint    47 lys     hg1        47 lys     he2       3.173  0.000   2
constraint    47 lys     hg2        47 lys     he2       3.173  0.000   1
constraint    47 lys     hg1        47 lys     he2       3.905  0.000   1
constraint    47 lys     hg1        48 gly       h       4.338  0.000   2
constraint    47 lys     hg2        48 gly       h       4.338  0.000   1
constraint    47 lys     hg1        48 gly       h       5.000  0.000   1
constraint    47 lys     hg2        47 lys     he2       3.905  0.000   1
constraint    47 lys     hg2        48 gly       h       5.000  0.000   1
constraint    47 lys     hd1        47 lys     he1       3.827  0.000   2
constraint    47 lys     hd2        47 lys     he1       3.827  0.000   1
constraint    47 lys     hd1        47 lys     he2       3.918  0.000   2
constraint    47 lys     hd2        47 lys     he2       3.918  0.000   1
constraint    47 lys     hd1        50 asn       h       6.000  0.000   4
constraint    47 lys     hd2        50 asn       h       6.000  0.000   3
constraint    64 leu       h        67 ile    hg11       6.000  0.000   2
constraint    64 leu       h        67 ile    hg12       6.000  0.000   1
constraint    48 gly       h        49 gln       h       3.639  0.000   1
constraint    48 gly       h        51 ala       h       6.000  0.000   1
constraint    48 gly     ha1        49 gln       h       4.173  0.000   2
constraint    48 gly     ha2        49 gln       h       4.173  0.000   1
constraint    48 gly     ha1        51 ala       h       4.216  0.000   2
constraint    48 gly     ha2        51 ala       h       4.216  0.000   1
constraint    48 gly     ha1        51 ala       h       5.000  0.000   1
constraint    48 gly     ha1        51 ala     hb3       3.379  0.000   6
constraint    48 gly     ha1        51 ala     hb2       3.379  0.000   5
constraint    48 gly     ha1        51 ala     hb1       3.379  0.000   4
constraint    48 gly     ha2        51 ala     hb3       3.379  0.000   3
constraint    48 gly     ha2        51 ala     hb2       3.379  0.000   2
constraint    48 gly     ha2        51 ala     hb1       3.379  0.000   1
constraint    48 gly     ha1        51 ala     hb3       3.989  0.000   3
constraint    48 gly     ha1        51 ala     hb2       3.989  0.000   2
constraint    48 gly     ha1        51 ala     hb1       3.989  0.000   1
constraint    48 gly     ha2        51 ala       h       5.000  0.000   1
constraint    48 gly     ha2        51 ala     hb3       3.989  0.000   3
constraint    48 gly     ha2        51 ala     hb2       3.989  0.000   2
constraint    48 gly     ha2        51 ala     hb1       3.989  0.000   1
constraint    49 gln       h        49 gln      ha       3.381  0.000   1
constraint    49 gln       h        50 asn       h       3.597  0.000   1
constraint    49 gln       h        71 leu    hd13       3.968  0.000   6
constraint    49 gln       h        71 leu    hd12       3.968  0.000   5
constraint    49 gln       h        71 leu    hd11       3.968  0.000   4
constraint    49 gln       h        71 leu    hd23       3.968  0.000   3
constraint    49 gln       h        71 leu    hd22       3.968  0.000   2
constraint    49 gln       h        71 leu    hd21       3.968  0.000   1
constraint    49 gln       h        74 lys     he1       5.000  0.000   2
constraint    49 gln       h        74 lys     he2       5.000  0.000   1
constraint    49 gln      ha        50 asn       h       3.466  0.000   2
constraint    69 arg      ha        70 leu       h       3.466  0.000   1
constraint    49 gln      ha        51 ala       h       4.435  0.000   1
constraint    49 gln      ha        74 lys     hg2       4.613  0.000   1
constraint    49 gln      ha        74 lys     he1       3.520  0.000   2
constraint    49 gln      ha        74 lys     he2       3.520  0.000   1
constraint    49 gln     hb1        51 ala       h       5.000  0.000   2
constraint    49 gln     hb2        51 ala       h       5.000  0.000   1
constraint    49 gln     hg1        50 asn       h       4.475  0.000   2
constraint    49 gln     hg2        50 asn       h       4.475  0.000   1
constraint    49 gln     hg1        50 asn    hd21       4.702  0.000   4
constraint    49 gln     hg1        50 asn    hd22       4.702  0.000   3
constraint    49 gln     hg2        50 asn    hd21       4.702  0.000   2
constraint    49 gln     hg2        50 asn    hd22       4.702  0.000   1
constraint    50 asn       h        50 asn      ha       3.850  0.000   3
constraint    52 asp      ha        53 val       h       3.850  0.000   2
constraint    74 lys       h        74 lys      ha       3.850  0.000   1
constraint    50 asn       h        50 asn     hb1       3.317  0.000   2
constraint    50 asn       h        50 asn     hb2       3.317  0.000   1
constraint    50 asn       h        50 asn     hb1       3.879  0.000   1
constraint    50 asn       h        50 asn     hb2       3.879  0.000   1
constraint    50 asn       h        51 ala       h       3.387  0.000   1
constraint    50 asn       h        51 ala      ha       3.842  0.000   2
constraint    51 ala      ha        53 val       h       3.842  0.000   1
constraint    50 asn       h        74 lys     hd1       4.145  0.000   7
constraint    50 asn       h        74 lys     hd2       4.145  0.000   6
constraint    56 leu     hb1        64 leu       h       4.145  0.000   5
constraint    56 leu     hb2        64 leu       h       4.145  0.000   4
constraint    56 leu      hg        64 leu       h       4.145  0.000   3
constraint    94 lys     hg1        95 ala       h       4.145  0.000   2
constraint    94 lys     hg2        95 ala       h       4.145  0.000   1
constraint    50 asn       h        74 lys     he1       4.548  0.000   6
constraint    50 asn       h        74 lys     he2       4.548  0.000   5
constraint    73 asn     hb1        74 lys       h       4.548  0.000   4
constraint    73 asn     hb2        74 lys       h       4.548  0.000   3
constraint    74 lys       h        74 lys     he1       4.548  0.000   2
constraint    74 lys       h        74 lys     he2       4.548  0.000   1
constraint    50 asn     hb1        50 asn    hd21       3.652  0.000   4
constraint    50 asn     hb1        50 asn    hd22       3.652  0.000   3
constraint    50 asn     hb2        50 asn    hd21       3.652  0.000   2
constraint    50 asn     hb2        50 asn    hd22       3.652  0.000   1
constraint    50 asn     hb1        50 asn    hd21       4.384  0.000   2
constraint    50 asn     hb1        50 asn    hd22       4.384  0.000   1
constraint    50 asn     hb1        51 ala       h       4.171  0.000   2
constraint    50 asn     hb2        51 ala       h       4.171  0.000   1
constraint    50 asn     hb1        51 ala       h       4.727  0.000   1
constraint    50 asn     hb2        50 asn    hd21       4.384  0.000   2
constraint    50 asn     hb2        50 asn    hd22       4.384  0.000   1
constraint    50 asn     hb2        51 ala       h       4.727  0.000   1
constraint    51 ala       h        51 ala     hb3       3.084  0.000   3
constraint    51 ala       h        51 ala     hb2       3.084  0.000   2
constraint    51 ala       h        51 ala     hb1       3.084  0.000   1
constraint    51 ala       h        52 asp       h       5.000  0.000   1
constraint    51 ala       h        54 val    hg13       7.000  0.000   6
constraint    51 ala       h        54 val    hg12       7.000  0.000   5
constraint    51 ala       h        54 val    hg11       7.000  0.000   4
constraint    51 ala       h        54 val    hg23       7.000  0.000   3
constraint    51 ala       h        54 val    hg22       7.000  0.000   2
constraint    51 ala       h        54 val    hg21       7.000  0.000   1
constraint    51 ala       h        71 leu    hd13       4.765  0.000   6
constraint    51 ala       h        71 leu    hd12       4.765  0.000   5
constraint    51 ala       h        71 leu    hd11       4.765  0.000   4
constraint    51 ala       h        71 leu    hd23       4.765  0.000   3
constraint    51 ala       h        71 leu    hd22       4.765  0.000   2
constraint    51 ala       h        71 leu    hd21       4.765  0.000   1
constraint    51 ala       h        71 leu    hd13       6.000  0.000   3
constraint    51 ala       h        71 leu    hd12       6.000  0.000   2
constraint    51 ala       h        71 leu    hd11       6.000  0.000   1
constraint    51 ala       h        71 leu    hd23       6.000  0.000   3
constraint    51 ala       h        71 leu    hd22       6.000  0.000   2
constraint    51 ala       h        71 leu    hd21       6.000  0.000   1
constraint    51 ala       h        74 lys     he1       4.096  0.000   2
constraint    51 ala       h        74 lys     he2       4.096  0.000   1
constraint    51 ala       h        74 lys     he1       4.811  0.000   1
constraint    51 ala       h        74 lys     he2       4.811  0.000   1
constraint    51 ala      ha        52 asp       h       2.500  0.000   1
constraint    51 ala      ha        52 asp       h       3.209  0.000   1
constraint    51 ala      ha        52 asp     hb1       4.501  0.000   2
constraint    51 ala      ha        52 asp     hb2       4.501  0.000   1
constraint    51 ala     hb3        52 asp       h       3.528  0.000   3
constraint    51 ala     hb2        52 asp       h       3.528  0.000   2
constraint    51 ala     hb1        52 asp       h       3.528  0.000   1
constraint    51 ala     hb3        53 val       h       3.176  0.000   3
constraint    51 ala     hb2        53 val       h       3.176  0.000   2
constraint    51 ala     hb1        53 val       h       3.176  0.000   1
constraint    51 ala     hb3        54 val      ha       4.964  0.000   3
constraint    51 ala     hb2        54 val      ha       4.964  0.000   2
constraint    51 ala     hb1        54 val      ha       4.964  0.000   1
constraint    51 ala     hb3        54 val      hb       4.804  0.000   3
constraint    51 ala     hb2        54 val      hb       4.804  0.000   2
constraint    51 ala     hb1        54 val      hb       4.804  0.000   1
constraint    51 ala     hb3        54 val    hg13       2.825  0.000  18
constraint    51 ala     hb3        54 val    hg12       2.825  0.000  17
constraint    51 ala     hb3        54 val    hg11       2.825  0.000  16
constraint    51 ala     hb2        54 val    hg13       2.825  0.000  15
constraint    51 ala     hb2        54 val    hg12       2.825  0.000  14
constraint    51 ala     hb2        54 val    hg11       2.825  0.000  13
constraint    51 ala     hb1        54 val    hg13       2.825  0.000  12
constraint    51 ala     hb1        54 val    hg12       2.825  0.000  11
constraint    51 ala     hb1        54 val    hg11       2.825  0.000  10
constraint    51 ala     hb3        54 val    hg23       2.825  0.000   9
constraint    51 ala     hb3        54 val    hg22       2.825  0.000   8
constraint    51 ala     hb3        54 val    hg21       2.825  0.000   7
constraint    51 ala     hb2        54 val    hg23       2.825  0.000   6
constraint    51 ala     hb2        54 val    hg22       2.825  0.000   5
constraint    51 ala     hb2        54 val    hg21       2.825  0.000   4
constraint    51 ala     hb1        54 val    hg23       2.825  0.000   3
constraint    51 ala     hb1        54 val    hg22       2.825  0.000   2
constraint    51 ala     hb1        54 val    hg21       2.825  0.000   1
constraint    52 asp       h        52 asp      ha       5.000  0.000   1
constraint    52 asp       h        52 asp     hb1       3.364  0.000   2
constraint    52 asp       h        52 asp     hb2       3.364  0.000   1
constraint    52 asp       h        52 asp     hb1       4.071  0.000   1
constraint    52 asp       h        52 asp     hb2       4.071  0.000   1
constraint    52 asp       h        53 val       h       3.287  0.000   1
constraint    52 asp       h        53 val      hb       5.000  0.000   1
constraint    52 asp      ha        52 asp     hb1       4.583  0.000   2
constraint    52 asp      ha        52 asp     hb2       4.583  0.000   1
constraint    52 asp     hb1        53 val       h       3.630  0.000   2
constraint    52 asp     hb2        53 val       h       3.630  0.000   1
constraint    52 asp     hb1        53 val       h       4.145  0.000   1
constraint    52 asp     hb2        53 val       h       4.145  0.000   1
constraint    53 val       h        53 val      hb       3.781  0.000   1
constraint    53 val       h        53 val    hg13       3.235  0.000   6
constraint    53 val       h        53 val    hg12       3.235  0.000   5
constraint    53 val       h        53 val    hg11       3.235  0.000   4
constraint    53 val       h        53 val    hg23       3.235  0.000   3
constraint    53 val       h        53 val    hg22       3.235  0.000   2
constraint    53 val       h        53 val    hg21       3.235  0.000   1
constraint    53 val       h       100 ile    hg11       3.959  0.000  11
constraint    53 val       h       100 ile    hg12       3.959  0.000  10
constraint    53 val       h       100 ile     hd3       3.959  0.000   9
constraint    53 val       h       100 ile     hd2       3.959  0.000   8
constraint    53 val       h       100 ile     hd1       3.959  0.000   7
constraint    56 leu    hd13        64 leu       h       3.959  0.000   6
constraint    56 leu    hd12        64 leu       h       3.959  0.000   5
constraint    56 leu    hd11        64 leu       h       3.959  0.000   4
constraint    56 leu    hd23        64 leu       h       3.959  0.000   3
constraint    56 leu    hd22        64 leu       h       3.959  0.000   2
constraint    56 leu    hd21        64 leu       h       3.959  0.000   1
constraint    53 val      ha        54 val       h       2.400  0.000   1
constraint    53 val      ha        54 val      hb       4.450  0.000   1
constraint    53 val      ha        74 lys     hb1       4.865  0.000   2
constraint    53 val      ha        74 lys     hb2       4.865  0.000   1
constraint    53 val      ha        75 pro      ha       6.000  0.000   1
constraint    53 val      ha        75 pro     hg1       3.515  0.000   2
constraint    53 val      ha        75 pro     hg2       3.515  0.000   1
constraint    53 val      ha        75 pro     hd1       4.690  0.000   2
constraint    53 val      ha        75 pro     hd2       4.690  0.000   1
constraint    53 val      ha        76 val       h       5.000  0.000   1
constraint    53 val      ha        76 val      ha       4.760  0.000   1
constraint    53 val      hb        54 val       h       4.211  0.000   3
constraint    54 val       h        77 glu     hb1       4.211  0.000   2
constraint    54 val       h        77 glu     hb2       4.211  0.000   1
constraint    53 val      hb        54 val       h       4.211  0.000   1
constraint    53 val    hg13        55 leu       h       3.930  0.000  12
constraint    53 val    hg12        55 leu       h       3.930  0.000  11
constraint    53 val    hg11        55 leu       h       3.930  0.000  10
constraint    53 val    hg23        55 leu       h       3.930  0.000   9
constraint    53 val    hg22        55 leu       h       3.930  0.000   8
constraint    53 val    hg21        55 leu       h       3.930  0.000   7
constraint    54 val    hg13        55 leu       h       3.930  0.000   6
constraint    54 val    hg12        55 leu       h       3.930  0.000   5
constraint    54 val    hg11        55 leu       h       3.930  0.000   4
constraint    54 val    hg23        55 leu       h       3.930  0.000   3
constraint    54 val    hg22        55 leu       h       3.930  0.000   2
constraint    54 val    hg21        55 leu       h       3.930  0.000   1
constraint    53 val    hg13        55 leu      ha       4.434  0.000  18
constraint    53 val    hg12        55 leu      ha       4.434  0.000  17
constraint    53 val    hg11        55 leu      ha       4.434  0.000  16
constraint    53 val    hg23        55 leu      ha       4.434  0.000  15
constraint    53 val    hg22        55 leu      ha       4.434  0.000  14
constraint    53 val    hg21        55 leu      ha       4.434  0.000  13
constraint    54 val    hg13        55 leu      ha       4.434  0.000  12
constraint    54 val    hg12        55 leu      ha       4.434  0.000  11
constraint    54 val    hg11        55 leu      ha       4.434  0.000  10
constraint    54 val    hg23        55 leu      ha       4.434  0.000   9
constraint    54 val    hg22        55 leu      ha       4.434  0.000   8
constraint    54 val    hg21        55 leu      ha       4.434  0.000   7
constraint    55 leu      ha        64 leu    hd13       4.434  0.000   6
constraint    55 leu      ha        64 leu    hd12       4.434  0.000   5
constraint    55 leu      ha        64 leu    hd11       4.434  0.000   4
constraint    55 leu      ha        64 leu    hd23       4.434  0.000   3
constraint    55 leu      ha        64 leu    hd22       4.434  0.000   2
constraint    55 leu      ha        64 leu    hd21       4.434  0.000   1
constraint    53 val    hg13        75 pro     hg1       3.574  0.000  12
constraint    53 val    hg12        75 pro     hg1       3.574  0.000  11
constraint    53 val    hg11        75 pro     hg1       3.574  0.000  10
constraint    53 val    hg13        75 pro     hg2       3.574  0.000   9
constraint    53 val    hg12        75 pro     hg2       3.574  0.000   8
constraint    53 val    hg11        75 pro     hg2       3.574  0.000   7
constraint    53 val    hg23        75 pro     hg1       3.574  0.000   6
constraint    53 val    hg22        75 pro     hg1       3.574  0.000   5
constraint    53 val    hg21        75 pro     hg1       3.574  0.000   4
constraint    53 val    hg23        75 pro     hg2       3.574  0.000   3
constraint    53 val    hg22        75 pro     hg2       3.574  0.000   2
constraint    53 val    hg21        75 pro     hg2       3.574  0.000   1
constraint    53 val    hg13        76 val      ha       3.917  0.000  18
constraint    53 val    hg12        76 val      ha       3.917  0.000  17
constraint    53 val    hg11        76 val      ha       3.917  0.000  16
constraint    53 val    hg23        76 val      ha       3.917  0.000  15
constraint    53 val    hg22        76 val      ha       3.917  0.000  14
constraint    53 val    hg21        76 val      ha       3.917  0.000  13
constraint    54 val    hg13        76 val      ha       3.917  0.000  12
constraint    54 val    hg12        76 val      ha       3.917  0.000  11
constraint    54 val    hg11        76 val      ha       3.917  0.000  10
constraint    54 val    hg23        76 val      ha       3.917  0.000   9
constraint    54 val    hg22        76 val      ha       3.917  0.000   8
constraint    54 val    hg21        76 val      ha       3.917  0.000   7
constraint    64 leu    hd13        76 val      ha       3.917  0.000   6
constraint    64 leu    hd12        76 val      ha       3.917  0.000   5
constraint    64 leu    hd11        76 val      ha       3.917  0.000   4
constraint    64 leu    hd23        76 val      ha       3.917  0.000   3
constraint    64 leu    hd22        76 val      ha       3.917  0.000   2
constraint    64 leu    hd21        76 val      ha       3.917  0.000   1
constraint    53 val    hg13       100 ile      ha       2.816  0.000   9
constraint    53 val    hg12       100 ile      ha       2.816  0.000   8
constraint    53 val    hg11       100 ile      ha       2.816  0.000   7
constraint    53 val    hg23       100 ile      ha       2.816  0.000   6
constraint    53 val    hg22       100 ile      ha       2.816  0.000   5
constraint    53 val    hg21       100 ile      ha       2.816  0.000   4
constraint   100 ile      ha       100 ile    hg23       2.816  0.000   3
constraint   100 ile      ha       100 ile    hg22       2.816  0.000   2
constraint   100 ile      ha       100 ile    hg21       2.816  0.000   1
constraint    53 val    hg23        55 leu      ha       4.347  0.000  21
constraint    53 val    hg22        55 leu      ha       4.347  0.000  20
constraint    53 val    hg21        55 leu      ha       4.347  0.000  19
constraint    54 val    hg13        55 leu      ha       4.347  0.000  18
constraint    54 val    hg12        55 leu      ha       4.347  0.000  17
constraint    54 val    hg11        55 leu      ha       4.347  0.000  16
constraint    54 val    hg23        55 leu      ha       4.347  0.000  15
constraint    54 val    hg22        55 leu      ha       4.347  0.000  14
constraint    54 val    hg21        55 leu      ha       4.347  0.000  13
constraint    55 leu      ha        64 leu    hd13       4.347  0.000  12
constraint    55 leu      ha        64 leu    hd12       4.347  0.000  11
constraint    55 leu      ha        64 leu    hd11       4.347  0.000  10
constraint    55 leu      ha        64 leu    hd23       4.347  0.000   9
constraint    55 leu      ha        64 leu    hd22       4.347  0.000   8
constraint    55 leu      ha        64 leu    hd21       4.347  0.000   7
constraint    55 leu      ha        78 val    hg13       4.347  0.000   6
constraint    55 leu      ha        78 val    hg12       4.347  0.000   5
constraint    55 leu      ha        78 val    hg11       4.347  0.000   4
constraint    55 leu      ha        78 val    hg23       4.347  0.000   3
constraint    55 leu      ha        78 val    hg22       4.347  0.000   2
constraint    55 leu      ha        78 val    hg21       4.347  0.000   1
constraint    53 val    hg23        55 leu      ha       5.000  0.000   6
constraint    53 val    hg22        55 leu      ha       5.000  0.000   5
constraint    53 val    hg21        55 leu      ha       5.000  0.000   4
constraint    55 leu      ha        79 ile     hd3       5.000  0.000   3
constraint    55 leu      ha        79 ile     hd2       5.000  0.000   2
constraint    55 leu      ha        79 ile     hd1       5.000  0.000   1
constraint    53 val    hg23        75 pro     hd1       2.920  0.000  30
constraint    53 val    hg22        75 pro     hd1       2.920  0.000  29
constraint    53 val    hg21        75 pro     hd1       2.920  0.000  28
constraint    53 val    hg23        75 pro     hd2       2.920  0.000  27
constraint    53 val    hg22        75 pro     hd2       2.920  0.000  26
constraint    53 val    hg21        75 pro     hd2       2.920  0.000  25
constraint    79 ile      ha        79 ile     hd3       2.920  0.000  24
constraint    79 ile      ha        79 ile     hd2       2.920  0.000  23
constraint    79 ile      ha        79 ile     hd1       2.920  0.000  22
constraint    79 ile     hd3        92 val      ha       2.920  0.000  21
constraint    79 ile     hd2        92 val      ha       2.920  0.000  20
constraint    79 ile     hd1        92 val      ha       2.920  0.000  19
constraint    83 leu    hd13        91 gly     ha1       2.920  0.000  18
constraint    83 leu    hd12        91 gly     ha1       2.920  0.000  17
constraint    83 leu    hd11        91 gly     ha1       2.920  0.000  16
constraint    83 leu    hd13        91 gly     ha2       2.920  0.000  15
constraint    83 leu    hd12        91 gly     ha2       2.920  0.000  14
constraint    83 leu    hd11        91 gly     ha2       2.920  0.000  13
constraint    83 leu    hd13        92 val      ha       2.920  0.000  12
constraint    83 leu    hd12        92 val      ha       2.920  0.000  11
constraint    83 leu    hd11        92 val      ha       2.920  0.000  10
constraint    83 leu    hd23        91 gly     ha1       2.920  0.000   9
constraint    83 leu    hd22        91 gly     ha1       2.920  0.000   8
constraint    83 leu    hd21        91 gly     ha1       2.920  0.000   7
constraint    83 leu    hd23        91 gly     ha2       2.920  0.000   6
constraint    83 leu    hd22        91 gly     ha2       2.920  0.000   5
constraint    83 leu    hd21        91 gly     ha2       2.920  0.000   4
constraint    83 leu    hd23        92 val      ha       2.920  0.000   3
constraint    83 leu    hd22        92 val      ha       2.920  0.000   2
constraint    83 leu    hd21        92 val      ha       2.920  0.000   1
constraint    53 val    hg23        76 val      ha       4.018  0.000   9
constraint    53 val    hg22        76 val      ha       4.018  0.000   8
constraint    53 val    hg21        76 val      ha       4.018  0.000   7
constraint    54 val    hg13        76 val      ha       4.018  0.000   6
constraint    54 val    hg12        76 val      ha       4.018  0.000   5
constraint    54 val    hg11        76 val      ha       4.018  0.000   4
constraint    54 val    hg23        76 val      ha       4.018  0.000   3
constraint    54 val    hg22        76 val      ha       4.018  0.000   2
constraint    54 val    hg21        76 val      ha       4.018  0.000   1
constraint    54 val       h        54 val      hb       3.412  0.000   1
constraint    54 val       h        55 leu       h       5.000  0.000   1
constraint    54 val       h        75 pro     hg1       4.645  0.000   2
constraint    54 val       h        75 pro     hg2       4.645  0.000   1
constraint    54 val       h        76 val      ha       3.939  0.000   1
constraint    54 val       h        77 glu       h       4.747  0.000   1
constraint    54 val      ha        54 val      hb       5.000  0.000   1
constraint    54 val      ha        54 val    hg13       3.753  0.000   6
constraint    54 val      ha        54 val    hg12       3.753  0.000   5
constraint    54 val      ha        54 val    hg11       3.753  0.000   4
constraint    54 val      ha        54 val    hg23       3.753  0.000   3
constraint    54 val      ha        54 val    hg22       3.753  0.000   2
constraint    54 val      ha        54 val    hg21       3.753  0.000   1
constraint    54 val      ha        55 leu       h       3.701  0.000   1
constraint    54 val      hb        55 leu       h       5.000  0.000   1
constraint    54 val      hb        71 leu    hd13       3.430  0.000  12
constraint    54 val      hb        71 leu    hd12       3.430  0.000  11
constraint    54 val      hb        71 leu    hd11       3.430  0.000  10
constraint    54 val      hb        71 leu    hd23       3.430  0.000   9
constraint    54 val      hb        71 leu    hd22       3.430  0.000   8
constraint    54 val      hb        71 leu    hd21       3.430  0.000   7
constraint    54 val      hb        76 val    hg13       3.430  0.000   6
constraint    54 val      hb        76 val    hg12       3.430  0.000   5
constraint    54 val      hb        76 val    hg11       3.430  0.000   4
constraint    54 val      hb        76 val    hg23       3.430  0.000   3
constraint    54 val      hb        76 val    hg22       3.430  0.000   2
constraint    54 val      hb        76 val    hg21       3.430  0.000   1
constraint    54 val      hb        76 val      ha       3.384  0.000   1
constraint    54 val      hb        76 val    hg13       2.842  0.000   6
constraint    54 val      hb        76 val    hg12       2.842  0.000   5
constraint    54 val      hb        76 val    hg11       2.842  0.000   4
constraint    54 val      hb        76 val    hg23       2.842  0.000   3
constraint    54 val      hb        76 val    hg22       2.842  0.000   2
constraint    54 val      hb        76 val    hg21       2.842  0.000   1
constraint    54 val      hb        76 val    hg13       3.430  0.000   3
constraint    54 val      hb        76 val    hg12       3.430  0.000   2
constraint    54 val      hb        76 val    hg11       3.430  0.000   1
constraint    54 val      hb        76 val    hg23       3.430  0.000   3
constraint    54 val      hb        76 val    hg22       3.430  0.000   2
constraint    54 val      hb        76 val    hg21       3.430  0.000   1
constraint    54 val      hb        77 glu       h       3.475  0.000   3
constraint    93 leu     hb1        94 lys       h       3.475  0.000   2
constraint    93 leu     hb2        94 lys       h       3.475  0.000   1
constraint    54 val    hg13        55 leu       h       3.840  0.000   6
constraint    54 val    hg12        55 leu       h       3.840  0.000   5
constraint    54 val    hg11        55 leu       h       3.840  0.000   4
constraint    54 val    hg23        55 leu       h       3.840  0.000   3
constraint    54 val    hg22        55 leu       h       3.840  0.000   2
constraint    54 val    hg21        55 leu       h       3.840  0.000   1
constraint    54 val    hg13        56 leu      ha       4.606  0.000   6
constraint    54 val    hg12        56 leu      ha       4.606  0.000   5
constraint    54 val    hg11        56 leu      ha       4.606  0.000   4
constraint    54 val    hg23        56 leu      ha       4.606  0.000   3
constraint    54 val    hg22        56 leu      ha       4.606  0.000   2
constraint    54 val    hg21        56 leu      ha       4.606  0.000   1
constraint    55 leu       h        55 leu      ha       4.049  0.000   1
constraint    55 leu       h        55 leu     hb1       3.881  0.000   2
constraint    55 leu       h        55 leu     hb2       3.881  0.000   1
constraint    55 leu       h        55 leu      hg       3.826  0.000   1
constraint    55 leu       h        55 leu    hd13       3.993  0.000   6
constraint    55 leu       h        55 leu    hd12       3.993  0.000   5
constraint    55 leu       h        55 leu    hd11       3.993  0.000   4
constraint    55 leu       h        55 leu    hd23       3.993  0.000   3
constraint    55 leu       h        55 leu    hd22       3.993  0.000   2
constraint    55 leu       h        55 leu    hd21       3.993  0.000   1
constraint    55 leu       h        56 leu       h       5.000  0.000   1
constraint    55 leu      ha        55 leu     hb1       3.782  0.000   2
constraint    55 leu      ha        55 leu     hb2       3.782  0.000   1
constraint    55 leu      ha        55 leu      hg       3.733  0.000   1
constraint    55 leu      ha        55 leu    hd13       2.815  0.000   6
constraint    55 leu      ha        55 leu    hd12       2.815  0.000   5
constraint    55 leu      ha        55 leu    hd11       2.815  0.000   4
constraint    55 leu      ha        55 leu    hd23       2.815  0.000   3
constraint    55 leu      ha        55 leu    hd22       2.815  0.000   2
constraint    55 leu      ha        55 leu    hd21       2.815  0.000   1
constraint    55 leu      ha        55 leu    hd13       3.827  0.000   3
constraint    55 leu      ha        55 leu    hd12       3.827  0.000   2
constraint    55 leu      ha        55 leu    hd11       3.827  0.000   1
constraint    55 leu      ha        55 leu    hd23       3.827  0.000   3
constraint    55 leu      ha        55 leu    hd22       3.827  0.000   2
constraint    55 leu      ha        55 leu    hd21       3.827  0.000   1
constraint    55 leu      ha        56 leu       h       2.200  0.000   1
constraint    55 leu      ha        56 leu       h       2.986  0.000   1
constraint    55 leu      ha        56 leu      ha       4.914  0.000   1
constraint    55 leu      ha        56 leu     hb1       3.944  0.000   3
constraint    55 leu      ha        56 leu     hb2       3.944  0.000   2
constraint    55 leu      ha        56 leu      hg       3.944  0.000   1
constraint    55 leu      ha        56 leu     hb1       5.000  0.000   2
constraint    55 leu      ha        56 leu     hb2       5.000  0.000   1
constraint    55 leu      ha        56 leu      hg       4.172  0.000   3
constraint    55 leu      ha        77 glu     hb1       4.172  0.000   2
constraint    55 leu      ha        77 glu     hb2       4.172  0.000   1
constraint    55 leu      ha        76 val      ha       4.826  0.000   1
constraint    55 leu      ha        77 glu       h       3.686  0.000   1
constraint    55 leu      ha        77 glu     hb1       4.818  0.000   4
constraint    55 leu      ha        77 glu     hb2       4.818  0.000   3
constraint    55 leu      ha        77 glu     hg1       4.818  0.000   2
constraint    55 leu      ha        77 glu     hg2       4.818  0.000   1
constraint    55 leu      ha        77 glu     hb1       5.000  0.000   4
constraint    55 leu      ha        77 glu     hb2       5.000  0.000   3
constraint    55 leu      ha        77 glu     hg1       5.000  0.000   2
constraint    55 leu      ha        77 glu     hg2       5.000  0.000   1
constraint    55 leu      ha        78 val       h       4.604  0.000   2
constraint    55 leu      ha        79 ile       h       4.604  0.000   1
constraint    55 leu      ha        78 val      ha       4.283  0.000   1
constraint    55 leu      ha        78 val    hg13       7.000  0.000  12
constraint    55 leu      ha        78 val    hg12       7.000  0.000  11
constraint    55 leu      ha        78 val    hg11       7.000  0.000  10
constraint    55 leu      ha        78 val    hg23       7.000  0.000   9
constraint    55 leu      ha        78 val    hg22       7.000  0.000   8
constraint    55 leu      ha        78 val    hg21       7.000  0.000   7
constraint    55 leu      ha        92 val    hg13       7.000  0.000   6
constraint    55 leu      ha        92 val    hg12       7.000  0.000   5
constraint    55 leu      ha        92 val    hg11       7.000  0.000   4
constraint    55 leu      ha        92 val    hg23       7.000  0.000   3
constraint    55 leu      ha        92 val    hg22       7.000  0.000   2
constraint    55 leu      ha        92 val    hg21       7.000  0.000   1
constraint    55 leu      ha        79 ile      ha       7.000  0.000   1
constraint    55 leu      ha        79 ile    hg11       4.438  0.000   2
constraint    55 leu      ha        79 ile    hg12       4.438  0.000   1
constraint    55 leu      ha        79 ile    hg11       4.797  0.000   2
constraint    55 leu      ha        79 ile    hg12       4.797  0.000   1
constraint    55 leu      ha        96 ala      ha       7.000  0.000   1
constraint    55 leu     hb1        56 leu       h       3.821  0.000   2
constraint    55 leu     hb2        56 leu       h       3.821  0.000   1
constraint    55 leu     hb1        56 leu       h       4.361  0.000   1
constraint    55 leu     hb2        56 leu       h       4.361  0.000   1
constraint    55 leu    hd13        77 glu       h       3.451  0.000  18
constraint    55 leu    hd12        77 glu       h       3.451  0.000  17
constraint    55 leu    hd11        77 glu       h       3.451  0.000  16
constraint    55 leu    hd23        77 glu       h       3.451  0.000  15
constraint    55 leu    hd22        77 glu       h       3.451  0.000  14
constraint    55 leu    hd21        77 glu       h       3.451  0.000  13
constraint    56 leu    hd13        77 glu       h       3.451  0.000  12
constraint    56 leu    hd12        77 glu       h       3.451  0.000  11
constraint    56 leu    hd11        77 glu       h       3.451  0.000  10
constraint    56 leu    hd23        77 glu       h       3.451  0.000   9
constraint    56 leu    hd22        77 glu       h       3.451  0.000   8
constraint    56 leu    hd21        77 glu       h       3.451  0.000   7
constraint    76 val    hg13        77 glu       h       3.451  0.000   6
constraint    76 val    hg12        77 glu       h       3.451  0.000   5
constraint    76 val    hg11        77 glu       h       3.451  0.000   4
constraint    76 val    hg23        77 glu       h       3.451  0.000   3
constraint    76 val    hg22        77 glu       h       3.451  0.000   2
constraint    76 val    hg21        77 glu       h       3.451  0.000   1
constraint    55 leu    hd13        77 glu      ha       6.000  0.000  12
constraint    55 leu    hd12        77 glu      ha       6.000  0.000  11
constraint    55 leu    hd11        77 glu      ha       6.000  0.000  10
constraint    55 leu    hd23        77 glu      ha       6.000  0.000   9
constraint    55 leu    hd22        77 glu      ha       6.000  0.000   8
constraint    55 leu    hd21        77 glu      ha       6.000  0.000   7
constraint    56 leu    hd13        77 glu      ha       6.000  0.000   6
constraint    56 leu    hd12        77 glu      ha       6.000  0.000   5
constraint    56 leu    hd11        77 glu      ha       6.000  0.000   4
constraint    56 leu    hd23        77 glu      ha       6.000  0.000   3
constraint    56 leu    hd22        77 glu      ha       6.000  0.000   2
constraint    56 leu    hd21        77 glu      ha       6.000  0.000   1
constraint    55 leu    hd13        96 ala       h       4.064  0.000   6
constraint    55 leu    hd12        96 ala       h       4.064  0.000   5
constraint    55 leu    hd11        96 ala       h       4.064  0.000   4
constraint    55 leu    hd23        96 ala       h       4.064  0.000   3
constraint    55 leu    hd22        96 ala       h       4.064  0.000   2
constraint    55 leu    hd21        96 ala       h       4.064  0.000   1
constraint    56 leu       h        56 leu      ha       3.974  0.000   1
constraint    56 leu       h        56 leu     hb1       3.159  0.000   2
constraint    56 leu       h        56 leu     hb2       3.159  0.000   1
constraint    56 leu       h        56 leu     hb1       4.000  0.000   1
constraint    56 leu       h        56 leu     hb2       4.000  0.000   1
constraint    56 leu       h        56 leu    hd13       4.089  0.000   6
constraint    56 leu       h        56 leu    hd12       4.089  0.000   5
constraint    56 leu       h        56 leu    hd11       4.089  0.000   4
constraint    56 leu       h        56 leu    hd23       4.089  0.000   3
constraint    56 leu       h        56 leu    hd22       4.089  0.000   2
constraint    56 leu       h        56 leu    hd21       4.089  0.000   1
constraint    56 leu       h        57 gly       h       5.000  0.000   1
constraint    56 leu       h        77 glu       h       4.394  0.000   2
constraint    56 leu       h        79 ile       h       4.394  0.000   1
constraint    56 leu       h        78 val       h       3.938  0.000   2
constraint    56 leu       h        79 ile       h       3.938  0.000   1
constraint    56 leu       h        78 val       h       4.023  0.000   1
constraint    56 leu       h        78 val      ha       3.361  0.000   1
constraint    56 leu       h        78 val    hg13       4.287  0.000   6
constraint    56 leu       h        78 val    hg12       4.287  0.000   5
constraint    56 leu       h        78 val    hg11       4.287  0.000   4
constraint    56 leu       h        78 val    hg23       4.287  0.000   3
constraint    56 leu       h        78 val    hg22       4.287  0.000   2
constraint    56 leu       h        78 val    hg21       4.287  0.000   1
constraint    56 leu       h        79 ile    hg11       4.271  0.000   2
constraint    56 leu       h        79 ile    hg12       4.271  0.000   1
constraint    56 leu      ha        56 leu     hb1       3.499  0.000   2
constraint    56 leu      ha        56 leu     hb2       3.499  0.000   1
constraint    56 leu      ha        56 leu    hd13       2.994  0.000   6
constraint    56 leu      ha        56 leu    hd12       2.994  0.000   5
constraint    56 leu      ha        56 leu    hd11       2.994  0.000   4
constraint    56 leu      ha        56 leu    hd23       2.994  0.000   3
constraint    56 leu      ha        56 leu    hd22       2.994  0.000   2
constraint    56 leu      ha        56 leu    hd21       2.994  0.000   1
constraint    56 leu      ha        56 leu    hd13       4.043  0.000   3
constraint    56 leu      ha        56 leu    hd12       4.043  0.000   2
constraint    56 leu      ha        56 leu    hd11       4.043  0.000   1
constraint    56 leu      ha        56 leu    hd23       4.043  0.000   3
constraint    56 leu      ha        56 leu    hd22       4.043  0.000   2
constraint    56 leu      ha        56 leu    hd21       4.043  0.000   1
constraint    56 leu      ha        57 gly       h       3.157  0.000   1
constraint    56 leu      ha        57 gly     ha1       4.200  0.000   2
constraint    56 leu      ha        57 gly     ha2       4.200  0.000   1
constraint    56 leu      ha        58 pro     hd1       7.000  0.000   2
constraint    56 leu      ha        58 pro     hd2       7.000  0.000   1
constraint    56 leu      ha        60 ile    hg23       3.745  0.000   6
constraint    56 leu      ha        60 ile    hg22       3.745  0.000   5
constraint    56 leu      ha        60 ile    hg21       3.745  0.000   4
constraint    56 leu      ha        60 ile     hd3       3.745  0.000   3
constraint    56 leu      ha        60 ile     hd2       3.745  0.000   2
constraint    56 leu      ha        60 ile     hd1       3.745  0.000   1
constraint    56 leu      ha        67 ile     hd3       7.000  0.000   3
constraint    56 leu      ha        67 ile     hd2       7.000  0.000   2
constraint    56 leu      ha        67 ile     hd1       7.000  0.000   1
constraint    56 leu      ha        67 ile     hd3       8.000  0.000   3
constraint    56 leu      ha        67 ile     hd2       8.000  0.000   2
constraint    56 leu      ha        67 ile     hd1       8.000  0.000   1
constraint    56 leu      ha        78 val      ha       4.827  0.000   1
constraint    56 leu     hb1        60 ile       h       3.736  0.000   8
constraint    56 leu     hb2        60 ile       h       3.736  0.000   7
constraint    60 ile       h        60 ile    hg11       3.736  0.000   6
constraint    60 ile       h        60 ile    hg12       3.736  0.000   5
constraint    70 leu     hb1        71 leu       h       3.736  0.000   4
constraint    70 leu     hb2        71 leu       h       3.736  0.000   3
constraint    71 leu       h        74 lys     hb1       3.736  0.000   2
constraint    71 leu       h        74 lys     hb2       3.736  0.000   1
constraint    56 leu     hb1        65 pro     hd1       3.199  0.000  12
constraint    56 leu     hb1        65 pro     hd2       3.199  0.000  11
constraint    56 leu     hb2        65 pro     hd1       3.199  0.000  10
constraint    56 leu     hb2        65 pro     hd2       3.199  0.000   9
constraint    64 leu     hb1        65 pro     hd1       3.199  0.000   8
constraint    64 leu     hb1        65 pro     hd2       3.199  0.000   7
constraint    64 leu     hb2        65 pro     hd1       3.199  0.000   6
constraint    64 leu     hb2        65 pro     hd2       3.199  0.000   5
constraint    64 leu      hg        65 pro     hd1       3.199  0.000   4
constraint    64 leu      hg        65 pro     hd2       3.199  0.000   3
constraint    90 leu      hg        91 gly     ha1       3.199  0.000   2
constraint    90 leu      hg        91 gly     ha2       3.199  0.000   1
constraint    56 leu     hb1        67 ile    hg11       2.812  0.000   6
constraint    56 leu     hb1        67 ile    hg12       2.812  0.000   5
constraint    56 leu     hb2        67 ile    hg11       2.812  0.000   4
constraint    56 leu     hb2        67 ile    hg12       2.812  0.000   3
constraint    56 leu      hg        67 ile    hg11       2.812  0.000   2
constraint    56 leu      hg        67 ile    hg12       2.812  0.000   1
constraint    56 leu     hb1        67 ile     hd3       4.429  0.000   9
constraint    56 leu     hb1        67 ile     hd2       4.429  0.000   8
constraint    56 leu     hb1        67 ile     hd1       4.429  0.000   7
constraint    56 leu     hb2        67 ile     hd3       4.429  0.000   6
constraint    56 leu     hb2        67 ile     hd2       4.429  0.000   5
constraint    56 leu     hb2        67 ile     hd1       4.429  0.000   4
constraint    56 leu      hg        67 ile     hd3       4.429  0.000   3
constraint    56 leu      hg        67 ile     hd2       4.429  0.000   2
constraint    56 leu      hg        67 ile     hd1       4.429  0.000   1
constraint    56 leu      hg        60 ile       h       4.138  0.000   7
constraint    56 leu      hg        71 leu       h       4.138  0.000   6
constraint    60 ile       h        61 ala     hb3       4.138  0.000   5
constraint    60 ile       h        61 ala     hb2       4.138  0.000   4
constraint    60 ile       h        61 ala     hb1       4.138  0.000   3
constraint    69 arg     hg1        71 leu       h       4.138  0.000   2
constraint    69 arg     hg2        71 leu       h       4.138  0.000   1
constraint    56 leu      hg        60 ile       h       5.000  0.000   5
constraint    58 pro     hg1        60 ile       h       5.000  0.000   4
constraint    58 pro     hg2        60 ile       h       5.000  0.000   3
constraint    71 leu       h        74 lys     hd1       5.000  0.000   2
constraint    71 leu       h        74 lys     hd2       5.000  0.000   1
constraint    56 leu      hg        60 ile       h       4.138  0.000   4
constraint    60 ile       h        61 ala     hb3       4.138  0.000   3
constraint    60 ile       h        61 ala     hb2       4.138  0.000   2
constraint    60 ile       h        61 ala     hb1       4.138  0.000   1
constraint    56 leu      hg        77 glu       h       3.218  0.000   5
constraint    77 glu       h        77 glu     hb1       3.218  0.000   4
constraint    77 glu       h        77 glu     hb2       3.218  0.000   3
constraint    94 lys       h        94 lys     hg1       3.218  0.000   2
constraint    94 lys       h        94 lys     hg2       3.218  0.000   1
constraint    56 leu    hd13        63 met      ha       6.000  0.000   6
constraint    56 leu    hd12        63 met      ha       6.000  0.000   5
constraint    56 leu    hd11        63 met      ha       6.000  0.000   4
constraint    56 leu    hd23        63 met      ha       6.000  0.000   3
constraint    56 leu    hd22        63 met      ha       6.000  0.000   2
constraint    56 leu    hd21        63 met      ha       6.000  0.000   1
constraint    56 leu    hd13        67 ile    hg11       4.199  0.000  36
constraint    56 leu    hd12        67 ile    hg11       4.199  0.000  35
constraint    56 leu    hd11        67 ile    hg11       4.199  0.000  34
constraint    56 leu    hd13        67 ile    hg12       4.199  0.000  33
constraint    56 leu    hd12        67 ile    hg12       4.199  0.000  32
constraint    56 leu    hd11        67 ile    hg12       4.199  0.000  31
constraint    56 leu    hd23        67 ile    hg11       4.199  0.000  30
constraint    56 leu    hd22        67 ile    hg11       4.199  0.000  29
constraint    56 leu    hd21        67 ile    hg11       4.199  0.000  28
constraint    56 leu    hd23        67 ile    hg12       4.199  0.000  27
constraint    56 leu    hd22        67 ile    hg12       4.199  0.000  26
constraint    56 leu    hd21        67 ile    hg12       4.199  0.000  25
constraint    67 ile    hg11        71 leu    hd13       4.199  0.000  24
constraint    67 ile    hg11        71 leu    hd12       4.199  0.000  23
constraint    67 ile    hg11        71 leu    hd11       4.199  0.000  22
constraint    67 ile    hg11        71 leu    hd23       4.199  0.000  21
constraint    67 ile    hg11        71 leu    hd22       4.199  0.000  20
constraint    67 ile    hg11        71 leu    hd21       4.199  0.000  19
constraint    67 ile    hg11        76 val    hg13       4.199  0.000  18
constraint    67 ile    hg11        76 val    hg12       4.199  0.000  17
constraint    67 ile    hg11        76 val    hg11       4.199  0.000  16
constraint    67 ile    hg11        76 val    hg23       4.199  0.000  15
constraint    67 ile    hg11        76 val    hg22       4.199  0.000  14
constraint    67 ile    hg11        76 val    hg21       4.199  0.000  13
constraint    67 ile    hg12        71 leu    hd13       4.199  0.000  12
constraint    67 ile    hg12        71 leu    hd12       4.199  0.000  11
constraint    67 ile    hg12        71 leu    hd11       4.199  0.000  10
constraint    67 ile    hg12        71 leu    hd23       4.199  0.000   9
constraint    67 ile    hg12        71 leu    hd22       4.199  0.000   8
constraint    67 ile    hg12        71 leu    hd21       4.199  0.000   7
constraint    67 ile    hg12        76 val    hg13       4.199  0.000   6
constraint    67 ile    hg12        76 val    hg12       4.199  0.000   5
constraint    67 ile    hg12        76 val    hg11       4.199  0.000   4
constraint    67 ile    hg12        76 val    hg23       4.199  0.000   3
constraint    67 ile    hg12        76 val    hg22       4.199  0.000   2
constraint    67 ile    hg12        76 val    hg21       4.199  0.000   1
constraint    56 leu    hd13        67 ile     hd3       2.901  0.000  36
constraint    56 leu    hd13        67 ile     hd2       2.901  0.000  35
constraint    56 leu    hd13        67 ile     hd1       2.901  0.000  34
constraint    56 leu    hd12        67 ile     hd3       2.901  0.000  33
constraint    56 leu    hd12        67 ile     hd2       2.901  0.000  32
constraint    56 leu    hd12        67 ile     hd1       2.901  0.000  31
constraint    56 leu    hd11        67 ile     hd3       2.901  0.000  30
constraint    56 leu    hd11        67 ile     hd2       2.901  0.000  29
constraint    56 leu    hd11        67 ile     hd1       2.901  0.000  28
constraint    56 leu    hd23        67 ile     hd3       2.901  0.000  27
constraint    56 leu    hd23        67 ile     hd2       2.901  0.000  26
constraint    56 leu    hd23        67 ile     hd1       2.901  0.000  25
constraint    56 leu    hd22        67 ile     hd3       2.901  0.000  24
constraint    56 leu    hd22        67 ile     hd2       2.901  0.000  23
constraint    56 leu    hd22        67 ile     hd1       2.901  0.000  22
constraint    56 leu    hd21        67 ile     hd3       2.901  0.000  21
constraint    56 leu    hd21        67 ile     hd2       2.901  0.000  20
constraint    56 leu    hd21        67 ile     hd1       2.901  0.000  19
constraint    67 ile     hd3        70 leu    hd13       2.901  0.000  18
constraint    67 ile     hd3        70 leu    hd12       2.901  0.000  17
constraint    67 ile     hd3        70 leu    hd11       2.901  0.000  16
constraint    67 ile     hd2        70 leu    hd13       2.901  0.000  15
constraint    67 ile     hd2        70 leu    hd12       2.901  0.000  14
constraint    67 ile     hd2        70 leu    hd11       2.901  0.000  13
constraint    67 ile     hd1        70 leu    hd13       2.901  0.000  12
constraint    67 ile     hd1        70 leu    hd12       2.901  0.000  11
constraint    67 ile     hd1        70 leu    hd11       2.901  0.000  10
constraint    67 ile     hd3        70 leu    hd23       2.901  0.000   9
constraint    67 ile     hd3        70 leu    hd22       2.901  0.000   8
constraint    67 ile     hd3        70 leu    hd21       2.901  0.000   7
constraint    67 ile     hd2        70 leu    hd23       2.901  0.000   6
constraint    67 ile     hd2        70 leu    hd22       2.901  0.000   5
constraint    67 ile     hd2        70 leu    hd21       2.901  0.000   4
constraint    67 ile     hd1        70 leu    hd23       2.901  0.000   3
constraint    67 ile     hd1        70 leu    hd22       2.901  0.000   2
constraint    67 ile     hd1        70 leu    hd21       2.901  0.000   1
constraint    56 leu    hd13        68 gln       h       4.379  0.000  24
constraint    56 leu    hd12        68 gln       h       4.379  0.000  23
constraint    56 leu    hd11        68 gln       h       4.379  0.000  22
constraint    56 leu    hd23        68 gln       h       4.379  0.000  21
constraint    56 leu    hd22        68 gln       h       4.379  0.000  20
constraint    56 leu    hd21        68 gln       h       4.379  0.000  19
constraint    68 gln       h        71 leu    hd13       4.379  0.000  18
constraint    68 gln       h        71 leu    hd12       4.379  0.000  17
constraint    68 gln       h        71 leu    hd11       4.379  0.000  16
constraint    68 gln       h        71 leu    hd23       4.379  0.000  15
constraint    68 gln       h        71 leu    hd22       4.379  0.000  14
constraint    68 gln       h        71 leu    hd21       4.379  0.000  13
constraint    68 gln       h        76 val    hg13       4.379  0.000  12
constraint    68 gln       h        76 val    hg12       4.379  0.000  11
constraint    68 gln       h        76 val    hg11       4.379  0.000  10
constraint    68 gln       h        76 val    hg23       4.379  0.000   9
constraint    68 gln       h        76 val    hg22       4.379  0.000   8
constraint    68 gln       h        76 val    hg21       4.379  0.000   7
constraint    71 leu    hd13        73 asn       h       4.379  0.000   6
constraint    71 leu    hd12        73 asn       h       4.379  0.000   5
constraint    71 leu    hd11        73 asn       h       4.379  0.000   4
constraint    71 leu    hd23        73 asn       h       4.379  0.000   3
constraint    71 leu    hd22        73 asn       h       4.379  0.000   2
constraint    71 leu    hd21        73 asn       h       4.379  0.000   1
constraint    56 leu    hd13        77 glu      ha       4.445  0.000  12
constraint    56 leu    hd12        77 glu      ha       4.445  0.000  11
constraint    56 leu    hd11        77 glu      ha       4.445  0.000  10
constraint    56 leu    hd23        77 glu      ha       4.445  0.000   9
constraint    56 leu    hd22        77 glu      ha       4.445  0.000   8
constraint    56 leu    hd21        77 glu      ha       4.445  0.000   7
constraint    76 val    hg13        77 glu      ha       4.445  0.000   6
constraint    76 val    hg12        77 glu      ha       4.445  0.000   5
constraint    76 val    hg11        77 glu      ha       4.445  0.000   4
constraint    76 val    hg23        77 glu      ha       4.445  0.000   3
constraint    76 val    hg22        77 glu      ha       4.445  0.000   2
constraint    76 val    hg21        77 glu      ha       4.445  0.000   1
constraint    57 gly       h        57 gly     ha1       3.323  0.000   2
constraint    57 gly       h        57 gly     ha2       3.323  0.000   1
constraint    57 gly       h        58 pro     hd1       4.563  0.000   7
constraint    57 gly       h        58 pro     hd2       4.563  0.000   6
constraint    58 pro     hd1        82 leu       h       4.563  0.000   5
constraint    58 pro     hd2        82 leu       h       4.563  0.000   4
constraint    82 leu       h        84 tyr     hb1       4.563  0.000   3
constraint    82 leu       h        84 tyr     hb2       4.563  0.000   2
constraint    82 leu       h        86 lys     he1       4.563  0.000   1
constraint    57 gly       h        58 pro     hd1       4.758  0.000   2
constraint    57 gly       h        58 pro     hd2       4.758  0.000   1
constraint    57 gly       h        60 ile       h       5.000  0.000   1
constraint    57 gly       h        60 ile    hg23       3.439  0.000   6
constraint    57 gly       h        60 ile    hg22       3.439  0.000   5
constraint    57 gly       h        60 ile    hg21       3.439  0.000   4
constraint    57 gly       h        60 ile     hd3       3.439  0.000   3
constraint    57 gly       h        60 ile     hd2       3.439  0.000   2
constraint    57 gly       h        60 ile     hd1       3.439  0.000   1
constraint    57 gly       h        84 tyr     hd1       6.000  0.000   4
constraint    57 gly       h        84 tyr     hd2       6.000  0.000   3
constraint    82 leu       h        84 tyr     hd1       6.000  0.000   2
constraint    82 leu       h        84 tyr     hd2       6.000  0.000   1
constraint    57 gly     ha1        58 pro     hd1       2.908  0.000   4
constraint    57 gly     ha1        58 pro     hd2       2.908  0.000   3
constraint    57 gly     ha2        58 pro     hd1       2.908  0.000   2
constraint    57 gly     ha2        58 pro     hd2       2.908  0.000   1
constraint    57 gly     ha1        58 pro     hd1       3.288  0.000   2
constraint    57 gly     ha2        58 pro     hd1       3.288  0.000   1
constraint    57 gly     ha1        58 pro     hd2       3.288  0.000   2
constraint    57 gly     ha2        58 pro     hd2       3.288  0.000   1
constraint    57 gly     ha1        59 gln    he21       5.000  0.000   4
constraint    57 gly     ha1        59 gln    he22       5.000  0.000   3
constraint    57 gly     ha2        59 gln    he21       5.000  0.000   2
constraint    57 gly     ha2        59 gln    he22       5.000  0.000   1
constraint    57 gly     ha1        60 ile       h       4.977  0.000   2
constraint    57 gly     ha2        60 ile       h       4.977  0.000   1
constraint    58 pro      ha        58 pro     hb1       2.637  0.000   2
constraint    58 pro      ha        58 pro     hb2       2.637  0.000   1
constraint    58 pro      ha        58 pro     hb1       3.080  0.000   1
constraint    58 pro      ha        58 pro     hb2       3.080  0.000   1
constraint    58 pro      ha        58 pro     hd1       3.960  0.000   2
constraint    58 pro      ha        58 pro     hd2       3.960  0.000   1
constraint    58 pro      ha        59 gln       h       3.259  0.000   2
constraint    68 gln       h        68 gln      ha       3.259  0.000   1
constraint    58 pro      ha        60 ile      ha       6.000  0.000   2
constraint    83 leu      ha        88 asp      ha       6.000  0.000   1
constraint    58 pro      ha        61 ala       h       3.992  0.000   1
constraint    58 pro      ha        79 ile       h       4.231  0.000   1
constraint    58 pro     hb1        58 pro     hg1       3.607  0.000   4
constraint    58 pro     hb1        58 pro     hg2       3.607  0.000   3
constraint    58 pro     hb2        58 pro     hg1       3.607  0.000   2
constraint    58 pro     hb2        58 pro     hg2       3.607  0.000   1
constraint    58 pro     hb1        58 pro     hd1       3.555  0.000   4
constraint    58 pro     hb1        58 pro     hd2       3.555  0.000   3
constraint    58 pro     hb2        58 pro     hd1       3.555  0.000   2
constraint    58 pro     hb2        58 pro     hd2       3.555  0.000   1
constraint    58 pro     hb1        58 pro     hd1       4.016  0.000   2
constraint    58 pro     hb2        58 pro     hd1       4.016  0.000   1
constraint    58 pro     hb1        58 pro     hd2       4.016  0.000   2
constraint    58 pro     hb2        58 pro     hd2       4.016  0.000   1
constraint    58 pro     hb1        59 gln       h       3.488  0.000   6
constraint    58 pro     hb2        59 gln       h       3.488  0.000   5
constraint    59 gln       h        59 gln     hb1       3.488  0.000   4
constraint    59 gln       h        59 gln     hb2       3.488  0.000   3
constraint    72 pro     hb1        73 asn       h       3.488  0.000   2
constraint    72 pro     hb2        73 asn       h       3.488  0.000   1
constraint    58 pro     hb1        59 gln       h       4.036  0.000   2
constraint    58 pro     hb2        59 gln       h       4.036  0.000   1
constraint    58 pro     hb1        61 ala       h       5.000  0.000   4
constraint    58 pro     hb2        61 ala       h       5.000  0.000   3
constraint    59 gln     hb1        61 ala       h       5.000  0.000   2
constraint    59 gln     hb2        61 ala       h       5.000  0.000   1
constraint    58 pro     hb1        80 asp      ha       4.318  0.000   2
constraint    58 pro     hb2        80 asp      ha       4.318  0.000   1
constraint    58 pro     hb1        81 ser       h       4.897  0.000   2
constraint    58 pro     hb2        81 ser       h       4.897  0.000   1
constraint    58 pro     hb1        81 ser       h       7.000  0.000   1
constraint    58 pro     hb1        81 ser      ha       3.670  0.000   2
constraint    58 pro     hb2        81 ser      ha       3.670  0.000   1
constraint    58 pro     hb1        84 tyr     hb1       7.000  0.000   4
constraint    58 pro     hb1        84 tyr     hb2       7.000  0.000   3
constraint    58 pro     hb2        84 tyr     hb1       7.000  0.000   2
constraint    58 pro     hb2        84 tyr     hb2       7.000  0.000   1
constraint    58 pro     hb1        84 tyr     hd1       5.000  0.000   4
constraint    58 pro     hb1        84 tyr     hd2       5.000  0.000   3
constraint    58 pro     hb2        84 tyr     hd1       5.000  0.000   2
constraint    58 pro     hb2        84 tyr     hd2       5.000  0.000   1
constraint    58 pro     hb2        81 ser       h       7.000  0.000   1
constraint    58 pro     hg1        59 gln    he21       5.000  0.000   4
constraint    58 pro     hg1        59 gln    he22       5.000  0.000   3
constraint    58 pro     hg2        59 gln    he21       5.000  0.000   2
constraint    58 pro     hg2        59 gln    he22       5.000  0.000   1
constraint    58 pro     hg1        81 ser       h       5.000  0.000   1
constraint    58 pro     hg1        81 ser      ha       3.299  0.000   6
constraint    58 pro     hg1        81 ser     hb1       3.299  0.000   5
constraint    58 pro     hg1        81 ser     hb2       3.299  0.000   4
constraint    58 pro     hg2        81 ser      ha       3.299  0.000   3
constraint    58 pro     hg2        81 ser     hb1       3.299  0.000   2
constraint    58 pro     hg2        81 ser     hb2       3.299  0.000   1
constraint    58 pro     hg1        84 tyr     hb1       4.261  0.000   4
constraint    58 pro     hg1        84 tyr     hb2       4.261  0.000   3
constraint    58 pro     hg2        84 tyr     hb1       4.261  0.000   2
constraint    58 pro     hg2        84 tyr     hb2       4.261  0.000   1
constraint    58 pro     hg1        84 tyr     hd1       3.739  0.000   4
constraint    58 pro     hg1        84 tyr     hd2       3.739  0.000   3
constraint    58 pro     hg2        84 tyr     hd1       3.739  0.000   2
constraint    58 pro     hg2        84 tyr     hd2       3.739  0.000   1
constraint    58 pro     hg1        84 tyr     he1       4.812  0.000   4
constraint    58 pro     hg1        84 tyr     he2       4.812  0.000   3
constraint    58 pro     hg2        84 tyr     he1       4.812  0.000   2
constraint    58 pro     hg2        84 tyr     he2       4.812  0.000   1
constraint    58 pro     hg2        81 ser       h       5.000  0.000   1
constraint    58 pro     hd1        59 gln    he21       6.000  0.000   8
constraint    58 pro     hd1        59 gln    he22       6.000  0.000   7
constraint    58 pro     hd2        59 gln    he21       6.000  0.000   6
constraint    58 pro     hd2        59 gln    he22       6.000  0.000   5
constraint    59 gln    he21        84 tyr     hb1       6.000  0.000   4
constraint    59 gln    he21        84 tyr     hb2       6.000  0.000   3
constraint    59 gln    he22        84 tyr     hb1       6.000  0.000   2
constraint    59 gln    he22        84 tyr     hb2       6.000  0.000   1
constraint    58 pro     hd1        59 gln    he21       5.000  0.000   4
constraint    58 pro     hd1        59 gln    he22       5.000  0.000   3
constraint    58 pro     hd2        59 gln    he21       5.000  0.000   2
constraint    58 pro     hd2        59 gln    he22       5.000  0.000   1
constraint    58 pro     hd1        60 ile       h       4.765  0.000   2
constraint    58 pro     hd2        60 ile       h       4.765  0.000   1
constraint    58 pro     hd1        60 ile       h       6.000  0.000   1
constraint    58 pro     hd1        79 ile       h       4.809  0.000   4
constraint    58 pro     hd1        80 asp       h       4.809  0.000   3
constraint    58 pro     hd2        79 ile       h       4.809  0.000   2
constraint    58 pro     hd2        80 asp       h       4.809  0.000   1
constraint    58 pro     hd1        79 ile    hg23       4.425  0.000   6
constraint    58 pro     hd1        79 ile    hg22       4.425  0.000   5
constraint    58 pro     hd1        79 ile    hg21       4.425  0.000   4
constraint    58 pro     hd2        79 ile    hg23       4.425  0.000   3
constraint    58 pro     hd2        79 ile    hg22       4.425  0.000   2
constraint    58 pro     hd2        79 ile    hg21       4.425  0.000   1
constraint    58 pro     hd1        84 tyr     hd1       3.963  0.000   4
constraint    58 pro     hd1        84 tyr     hd2       3.963  0.000   3
constraint    58 pro     hd2        84 tyr     hd1       3.963  0.000   2
constraint    58 pro     hd2        84 tyr     hd2       3.963  0.000   1
constraint    58 pro     hd1        84 tyr     he1       3.993  0.000   8
constraint    58 pro     hd1        84 tyr     he2       3.993  0.000   7
constraint    58 pro     hd2        84 tyr     he1       3.993  0.000   6
constraint    58 pro     hd2        84 tyr     he2       3.993  0.000   5
constraint    84 tyr     hb1        84 tyr     he1       3.993  0.000   4
constraint    84 tyr     hb1        84 tyr     he2       3.993  0.000   3
constraint    84 tyr     hb2        84 tyr     he1       3.993  0.000   2
constraint    84 tyr     hb2        84 tyr     he2       3.993  0.000   1
constraint    58 pro     hd1        84 tyr     he1       4.195  0.000   4
constraint    58 pro     hd1        84 tyr     he2       4.195  0.000   3
constraint    58 pro     hd2        84 tyr     he1       4.195  0.000   2
constraint    58 pro     hd2        84 tyr     he2       4.195  0.000   1
constraint    58 pro     hd2        60 ile       h       6.000  0.000   1
constraint    59 gln       h        59 gln      ha       3.421  0.000   1
constraint    59 gln       h        59 gln     hb1       3.057  0.000   4
constraint    59 gln       h        59 gln     hb2       3.057  0.000   3
constraint    68 gln       h        68 gln     hb1       3.057  0.000   2
constraint    68 gln       h        68 gln     hb2       3.057  0.000   1
constraint    59 gln       h        59 gln     hg1       4.009  0.000   1
constraint    59 gln       h        59 gln     hg2       4.323  0.000   1
constraint    59 gln       h        59 gln    he21       5.000  0.000   2
constraint    59 gln       h        59 gln    he22       5.000  0.000   1
constraint    59 gln       h        60 ile       h       3.498  0.000   1
constraint    59 gln       h        60 ile       h       5.000  0.000   1
constraint    59 gln       h        61 ala       h       4.800  0.000   1
constraint    59 gln       h        84 tyr     hd1       7.000  0.000   2
constraint    59 gln       h        84 tyr     hd2       7.000  0.000   1
constraint    59 gln       h        84 tyr     he1       5.000  0.000   2
constraint    59 gln       h        84 tyr     he2       5.000  0.000   1
constraint    59 gln      ha        59 gln     hb1       2.999  0.000   2
constraint    59 gln      ha        59 gln     hb2       2.999  0.000   1
constraint    59 gln      ha        59 gln     hg1       3.475  0.000   1
constraint    59 gln      ha        59 gln     hg2       3.829  0.000   1
constraint    59 gln      ha        61 ala       h       4.271  0.000   1
constraint    59 gln     hb1        59 gln    he21       5.000  0.000   2
constraint    59 gln     hb1        59 gln    he22       5.000  0.000   1
constraint    59 gln     hb1        60 ile       h       3.902  0.000   2
constraint    59 gln     hb2        60 ile       h       3.902  0.000   1
constraint    59 gln     hb1        60 ile       h       4.427  0.000   1
constraint    59 gln     hb1        60 ile      ha       5.000  0.000   2
constraint    59 gln     hb2        60 ile      ha       5.000  0.000   1
constraint    59 gln     hb1        62 tyr     hd1       3.956  0.000  12
constraint    59 gln     hb1        62 tyr     hd2       3.956  0.000  11
constraint    59 gln     hb2        62 tyr     hd1       3.956  0.000  10
constraint    59 gln     hb2        62 tyr     hd2       3.956  0.000   9
constraint    62 tyr     hd1        63 met     hg1       3.956  0.000   8
constraint    62 tyr     hd1        63 met     hg2       3.956  0.000   7
constraint    62 tyr     hd1        66 glu     hb1       3.956  0.000   6
constraint    62 tyr     hd1        66 glu     hb2       3.956  0.000   5
constraint    62 tyr     hd2        63 met     hg1       3.956  0.000   4
constraint    62 tyr     hd2        63 met     hg2       3.956  0.000   3
constraint    62 tyr     hd2        66 glu     hb1       3.956  0.000   2
constraint    62 tyr     hd2        66 glu     hb2       3.956  0.000   1
constraint    59 gln     hb1        62 tyr     he1       3.634  0.000  12
constraint    59 gln     hb1        62 tyr     he2       3.634  0.000  11
constraint    59 gln     hb2        62 tyr     he1       3.634  0.000  10
constraint    59 gln     hb2        62 tyr     he2       3.634  0.000   9
constraint    62 tyr     he1        63 met     hg1       3.634  0.000   8
constraint    62 tyr     he1        63 met     hg2       3.634  0.000   7
constraint    62 tyr     he1        66 glu     hb1       3.634  0.000   6
constraint    62 tyr     he1        66 glu     hb2       3.634  0.000   5
constraint    62 tyr     he2        63 met     hg1       3.634  0.000   4
constraint    62 tyr     he2        63 met     hg2       3.634  0.000   3
constraint    62 tyr     he2        66 glu     hb1       3.634  0.000   2
constraint    62 tyr     he2        66 glu     hb2       3.634  0.000   1
constraint    59 gln     hb2        59 gln    he21       5.000  0.000   2
constraint    59 gln     hb2        59 gln    he22       5.000  0.000   1
constraint    59 gln     hb2        60 ile       h       4.427  0.000   1
constraint    59 gln     hg1        59 gln    he21       3.810  0.000   2
constraint    59 gln     hg1        59 gln    he22       3.810  0.000   1
constraint    59 gln     hg1        59 gln    he21       4.596  0.000   1
constraint    59 gln     hg1        59 gln    he22       4.596  0.000   1
constraint    59 gln     hg1        60 ile       h       5.000  0.000   1
constraint    59 gln     hg2        59 gln    he21       3.624  0.000   2
constraint    59 gln     hg2        59 gln    he22       3.624  0.000   1
constraint    59 gln     hg2        59 gln    he21       4.531  0.000   1
constraint    59 gln     hg2        59 gln    he22       4.531  0.000   1
constraint    59 gln     hg2        60 ile       h       5.000  0.000   1
constraint    59 gln    he21        84 tyr     hd1       5.000  0.000   4
constraint    59 gln    he21        84 tyr     hd2       5.000  0.000   3
constraint    59 gln    he22        84 tyr     hd1       5.000  0.000   2
constraint    59 gln    he22        84 tyr     hd2       5.000  0.000   1
constraint    59 gln    he21        84 tyr     hd1       7.000  0.000   4
constraint    59 gln    he21        84 tyr     hd2       7.000  0.000   3
constraint    59 gln    he22        84 tyr     hd1       7.000  0.000   2
constraint    59 gln    he22        84 tyr     hd2       7.000  0.000   1
constraint    59 gln    he21        84 tyr     he1       3.638  0.000   4
constraint    59 gln    he21        84 tyr     he2       3.638  0.000   3
constraint    59 gln    he22        84 tyr     he1       3.638  0.000   2
constraint    59 gln    he22        84 tyr     he2       3.638  0.000   1
constraint    59 gln    he21        84 tyr     he1       4.347  0.000   2
constraint    59 gln    he21        84 tyr     he2       4.347  0.000   1
constraint    59 gln    he22        84 tyr     he1       4.347  0.000   2
constraint    59 gln    he22        84 tyr     he2       4.347  0.000   1
constraint    60 ile       h        60 ile      hb       4.264  0.000   1
constraint    60 ile       h        60 ile    hg11       3.839  0.000   4
constraint    60 ile       h        60 ile    hg12       3.839  0.000   3
constraint    70 leu     hb1        71 leu       h       3.839  0.000   2
constraint    70 leu     hb2        71 leu       h       3.839  0.000   1
constraint    60 ile       h        60 ile    hg11       3.384  0.000   4
constraint    60 ile       h        60 ile    hg12       3.384  0.000   3
constraint    71 leu       h        71 leu     hb1       3.384  0.000   2
constraint    71 leu       h        71 leu     hb2       3.384  0.000   1
constraint    60 ile       h        60 ile    hg23       3.465  0.000   6
constraint    60 ile       h        60 ile    hg22       3.465  0.000   5
constraint    60 ile       h        60 ile    hg21       3.465  0.000   4
constraint    60 ile       h        60 ile     hd3       3.465  0.000   3
constraint    60 ile       h        60 ile     hd2       3.465  0.000   2
constraint    60 ile       h        60 ile     hd1       3.465  0.000   1
constraint    60 ile       h        61 ala       h       3.235  0.000   1
constraint    60 ile       h        61 ala      ha       8.000  0.000   1
constraint    60 ile      ha        60 ile    hg11       4.157  0.000   2
constraint    60 ile      ha        60 ile    hg12       4.157  0.000   1
constraint    60 ile      ha        61 ala       h       3.706  0.000   1
constraint    60 ile      ha        61 ala      ha       6.000  0.000   1
constraint    60 ile      ha        62 tyr       h       4.140  0.000   1
constraint    60 ile      ha        62 tyr     hd1       3.362  0.000   2
constraint    60 ile      ha        62 tyr     hd2       3.362  0.000   1
constraint    60 ile      ha        62 tyr     he1       3.208  0.000   2
constraint    60 ile      ha        62 tyr     he2       3.208  0.000   1
constraint    60 ile      ha        63 met       h       4.742  0.000   1
constraint    60 ile      ha        63 met     hg1       4.585  0.000   2
constraint    60 ile      ha        63 met     hg2       4.585  0.000   1
constraint    60 ile      hb        62 tyr     hd1       4.467  0.000   6
constraint    60 ile      hb        62 tyr     hd2       4.467  0.000   5
constraint    62 tyr     hd1        65 pro     hg1       4.467  0.000   4
constraint    62 tyr     hd1        65 pro     hg2       4.467  0.000   3
constraint    62 tyr     hd2        65 pro     hg1       4.467  0.000   2
constraint    62 tyr     hd2        65 pro     hg2       4.467  0.000   1
constraint    60 ile      hb        62 tyr     he1       4.205  0.000   2
constraint    60 ile      hb        62 tyr     he2       4.205  0.000   1
constraint    60 ile    hg11        61 ala       h       4.467  0.000   2
constraint    60 ile    hg12        61 ala       h       4.467  0.000   1
constraint    60 ile    hg23        61 ala       h       4.250  0.000   6
constraint    60 ile    hg22        61 ala       h       4.250  0.000   5
constraint    60 ile    hg21        61 ala       h       4.250  0.000   4
constraint    60 ile     hd3        61 ala       h       4.250  0.000   3
constraint    60 ile     hd2        61 ala       h       4.250  0.000   2
constraint    60 ile     hd1        61 ala       h       4.250  0.000   1
constraint    60 ile    hg23        62 tyr     hd1       4.197  0.000  24
constraint    60 ile    hg22        62 tyr     hd1       4.197  0.000  23
constraint    60 ile    hg21        62 tyr     hd1       4.197  0.000  22
constraint    60 ile    hg23        62 tyr     hd2       4.197  0.000  21
constraint    60 ile    hg22        62 tyr     hd2       4.197  0.000  20
constraint    60 ile    hg21        62 tyr     hd2       4.197  0.000  19
constraint    60 ile     hd3        62 tyr     hd1       4.197  0.000  18
constraint    60 ile     hd2        62 tyr     hd1       4.197  0.000  17
constraint    60 ile     hd1        62 tyr     hd1       4.197  0.000  16
constraint    60 ile     hd3        62 tyr     hd2       4.197  0.000  15
constraint    60 ile     hd2        62 tyr     hd2       4.197  0.000  14
constraint    60 ile     hd1        62 tyr     hd2       4.197  0.000  13
constraint    62 tyr     hd1        64 leu    hd13       4.197  0.000  12
constraint    62 tyr     hd1        64 leu    hd12       4.197  0.000  11
constraint    62 tyr     hd1        64 leu    hd11       4.197  0.000  10
constraint    62 tyr     hd1        64 leu    hd23       4.197  0.000   9
constraint    62 tyr     hd1        64 leu    hd22       4.197  0.000   8
constraint    62 tyr     hd1        64 leu    hd21       4.197  0.000   7
constraint    62 tyr     hd2        64 leu    hd13       4.197  0.000   6
constraint    62 tyr     hd2        64 leu    hd12       4.197  0.000   5
constraint    62 tyr     hd2        64 leu    hd11       4.197  0.000   4
constraint    62 tyr     hd2        64 leu    hd23       4.197  0.000   3
constraint    62 tyr     hd2        64 leu    hd22       4.197  0.000   2
constraint    62 tyr     hd2        64 leu    hd21       4.197  0.000   1
constraint    60 ile    hg23        64 leu       h       4.541  0.000  18
constraint    60 ile    hg22        64 leu       h       4.541  0.000  17
constraint    60 ile    hg21        64 leu       h       4.541  0.000  16
constraint    60 ile     hd3        64 leu       h       4.541  0.000  15
constraint    60 ile     hd2        64 leu       h       4.541  0.000  14
constraint    60 ile     hd1        64 leu       h       4.541  0.000  13
constraint    64 leu       h        64 leu    hd13       4.541  0.000  12
constraint    64 leu       h        64 leu    hd12       4.541  0.000  11
constraint    64 leu       h        64 leu    hd11       4.541  0.000  10
constraint    64 leu       h        64 leu    hd23       4.541  0.000   9
constraint    64 leu       h        64 leu    hd22       4.541  0.000   8
constraint    64 leu       h        64 leu    hd21       4.541  0.000   7
constraint    64 leu       h        78 val    hg13       4.541  0.000   6
constraint    64 leu       h        78 val    hg12       4.541  0.000   5
constraint    64 leu       h        78 val    hg11       4.541  0.000   4
constraint    64 leu       h        78 val    hg23       4.541  0.000   3
constraint    64 leu       h        78 val    hg22       4.541  0.000   2
constraint    64 leu       h        78 val    hg21       4.541  0.000   1
constraint    60 ile     hd3        61 ala       h       4.286  0.000   9
constraint    60 ile     hd2        61 ala       h       4.286  0.000   8
constraint    60 ile     hd1        61 ala       h       4.286  0.000   7
constraint    61 ala       h        78 val    hg13       4.286  0.000   6
constraint    61 ala       h        78 val    hg12       4.286  0.000   5
constraint    61 ala       h        78 val    hg11       4.286  0.000   4
constraint    61 ala       h        78 val    hg23       4.286  0.000   3
constraint    61 ala       h        78 val    hg22       4.286  0.000   2
constraint    61 ala       h        78 val    hg21       4.286  0.000   1
constraint    61 ala       h        62 tyr       h       3.610  0.000   1
constraint    61 ala       h        62 tyr     hb1       6.000  0.000   2
constraint    61 ala       h        62 tyr     hb2       6.000  0.000   1
constraint    61 ala       h        63 met       h       4.974  0.000   1
constraint    61 ala       h        78 val    hg13       4.196  0.000   6
constraint    61 ala       h        78 val    hg12       4.196  0.000   5
constraint    61 ala       h        78 val    hg11       4.196  0.000   4
constraint    61 ala       h        78 val    hg23       4.196  0.000   3
constraint    61 ala       h        78 val    hg22       4.196  0.000   2
constraint    61 ala       h        78 val    hg21       4.196  0.000   1
constraint    61 ala      ha        62 tyr     hd1       4.819  0.000   2
constraint    61 ala      ha        62 tyr     hd2       4.819  0.000   1
constraint    61 ala      ha        78 val    hg13       2.962  0.000   6
constraint    61 ala      ha        78 val    hg12       2.962  0.000   5
constraint    61 ala      ha        78 val    hg11       2.962  0.000   4
constraint    61 ala      ha        78 val    hg23       2.962  0.000   3
constraint    61 ala      ha        78 val    hg22       2.962  0.000   2
constraint    61 ala      ha        78 val    hg21       2.962  0.000   1
constraint    61 ala     hb3        62 tyr     hd1       4.069  0.000   6
constraint    61 ala     hb2        62 tyr     hd1       4.069  0.000   5
constraint    61 ala     hb1        62 tyr     hd1       4.069  0.000   4
constraint    61 ala     hb3        62 tyr     hd2       4.069  0.000   3
constraint    61 ala     hb2        62 tyr     hd2       4.069  0.000   2
constraint    61 ala     hb1        62 tyr     hd2       4.069  0.000   1
constraint    62 tyr       h        62 tyr     hb1       3.087  0.000   2
constraint    62 tyr       h        62 tyr     hb2       3.087  0.000   1
constraint    62 tyr       h        62 tyr     hb1       3.603  0.000   1
constraint    62 tyr       h        62 tyr     hb2       3.603  0.000   1
constraint    62 tyr       h        62 tyr     hd1       2.853  0.000   2
constraint    62 tyr       h        62 tyr     hd2       2.853  0.000   1
constraint    62 tyr       h        62 tyr     he1       4.024  0.000   2
constraint    62 tyr       h        62 tyr     he2       4.024  0.000   1
constraint    62 tyr       h        63 met       h       3.612  0.000   1
constraint    62 tyr       h        63 met      ha       8.000  0.000   1
constraint    62 tyr      ha        62 tyr     hb1       2.582  0.000   2
constraint    62 tyr      ha        62 tyr     hb2       2.582  0.000   1
constraint    62 tyr      ha        62 tyr     hb1       2.928  0.000   1
constraint    62 tyr      ha        62 tyr     hb2       2.928  0.000   1
constraint    62 tyr      ha        62 tyr     hd1       4.346  0.000   2
constraint    62 tyr      ha        62 tyr     hd2       4.346  0.000   1
constraint    62 tyr      ha        62 tyr     he1       7.000  0.000   2
constraint    62 tyr      ha        62 tyr     he2       7.000  0.000   1
constraint    62 tyr     hb1        62 tyr     hb2       2.726  0.000   1
constraint    62 tyr     hb1        62 tyr     he1       4.007  0.000   4
constraint    62 tyr     hb1        62 tyr     he2       4.007  0.000   3
constraint    62 tyr     hb2        62 tyr     he1       4.007  0.000   2
constraint    62 tyr     hb2        62 tyr     he2       4.007  0.000   1
constraint    62 tyr     hb1        62 tyr     he1       6.000  0.000   2
constraint    62 tyr     hb1        62 tyr     he2       6.000  0.000   1
constraint    62 tyr     hb1        63 met       h       4.348  0.000   2
constraint    62 tyr     hb2        63 met       h       4.348  0.000   1
constraint    62 tyr     hb1        63 met       h       4.909  0.000   1
constraint    62 tyr     hb1        63 met      ha       4.765  0.000   2
constraint    62 tyr     hb2        63 met      ha       4.765  0.000   1
constraint    62 tyr     hb1        63 met      ha       6.000  0.000   1
constraint    62 tyr     hb2        62 tyr     he1       6.000  0.000   2
constraint    62 tyr     hb2        62 tyr     he2       6.000  0.000   1
constraint    62 tyr     hb2        63 met       h       4.909  0.000   1
constraint    62 tyr     hb2        63 met      ha       6.000  0.000   1
constraint    62 tyr     hd1        63 met       h       3.930  0.000   2
constraint    62 tyr     hd2        63 met       h       3.930  0.000   1
constraint    62 tyr     hd1        63 met      ha       3.818  0.000   2
constraint    62 tyr     hd2        63 met      ha       3.818  0.000   1
constraint    62 tyr     hd1        63 met     hb1       4.049  0.000   4
constraint    62 tyr     hd1        63 met     hb2       4.049  0.000   3
constraint    62 tyr     hd2        63 met     hb1       4.049  0.000   2
constraint    62 tyr     hd2        63 met     hb2       4.049  0.000   1
constraint    62 tyr     hd1        63 met     hb1       4.963  0.000   2
constraint    62 tyr     hd2        63 met     hb1       4.963  0.000   1
constraint    62 tyr     hd1        63 met     hb2       4.963  0.000   2
constraint    62 tyr     hd2        63 met     hb2       4.963  0.000   1
constraint    62 tyr     hd1        63 met     hg1       3.573  0.000   4
constraint    62 tyr     hd1        63 met     hg2       3.573  0.000   3
constraint    62 tyr     hd2        63 met     hg1       3.573  0.000   2
constraint    62 tyr     hd2        63 met     hg2       3.573  0.000   1
constraint    62 tyr     hd1        63 met     hg1       4.071  0.000   2
constraint    62 tyr     hd2        63 met     hg1       4.071  0.000   1
constraint    62 tyr     hd1        63 met     hg2       4.071  0.000   2
constraint    62 tyr     hd2        63 met     hg2       4.071  0.000   1
constraint    62 tyr     he1        63 met      ha       4.426  0.000   2
constraint    62 tyr     he2        63 met      ha       4.426  0.000   1
constraint    62 tyr     he1        63 met     hb1       3.584  0.000   4
constraint    62 tyr     he1        63 met     hb2       3.584  0.000   3
constraint    62 tyr     he2        63 met     hb1       3.584  0.000   2
constraint    62 tyr     he2        63 met     hb2       3.584  0.000   1
constraint    62 tyr     he1        63 met     hg1       3.289  0.000   4
constraint    62 tyr     he1        63 met     hg2       3.289  0.000   3
constraint    62 tyr     he2        63 met     hg1       3.289  0.000   2
constraint    62 tyr     he2        63 met     hg2       3.289  0.000   1
constraint    62 tyr     he1        63 met     hg1       3.756  0.000   2
constraint    62 tyr     he2        63 met     hg1       3.756  0.000   1
constraint    62 tyr     he1        63 met     hg2       3.756  0.000   2
constraint    62 tyr     he2        63 met     hg2       3.756  0.000   1
constraint    63 met       h        63 met     hb1       3.317  0.000   2
constraint    63 met       h        63 met     hb2       3.317  0.000   1
constraint    63 met       h        63 met     hg1       3.229  0.000   2
constraint    63 met       h        63 met     hg2       3.229  0.000   1
constraint    63 met       h        63 met     hg1       3.780  0.000   1
constraint    63 met       h        63 met     hg2       3.780  0.000   1
constraint    63 met       h        64 leu      ha       6.500  0.000   1
constraint    63 met      ha        63 met     hb1       3.488  0.000   2
constraint    63 met      ha        63 met     hb2       3.488  0.000   1
constraint    63 met      ha        63 met     hg1       3.612  0.000   2
constraint    63 met      ha        63 met     hg2       3.612  0.000   1
constraint    63 met      ha        66 glu       h       4.231  0.000   1
constraint    63 met      ha        66 glu     hg1       4.692  0.000   2
constraint    63 met      ha        66 glu     hg2       4.692  0.000   1
constraint    63 met      ha        67 ile     hd3       4.654  0.000   3
constraint    63 met      ha        67 ile     hd2       4.654  0.000   2
constraint    63 met      ha        67 ile     hd1       4.654  0.000   1
constraint    63 met     hb1        67 ile    hg11       3.747  0.000   4
constraint    63 met     hb1        67 ile    hg12       3.747  0.000   3
constraint    63 met     hb2        67 ile    hg11       3.747  0.000   2
constraint    63 met     hb2        67 ile    hg12       3.747  0.000   1
constraint    64 leu       h        64 leu    hd13       3.296  0.000  12
constraint    64 leu       h        64 leu    hd12       3.296  0.000  11
constraint    64 leu       h        64 leu    hd11       3.296  0.000  10
constraint    64 leu       h        64 leu    hd23       3.296  0.000   9
constraint    64 leu       h        64 leu    hd22       3.296  0.000   8
constraint    64 leu       h        64 leu    hd21       3.296  0.000   7
constraint    70 leu       h        70 leu    hd13       3.296  0.000   6
constraint    70 leu       h        70 leu    hd12       3.296  0.000   5
constraint    70 leu       h        70 leu    hd11       3.296  0.000   4
constraint    70 leu       h        70 leu    hd23       3.296  0.000   3
constraint    70 leu       h        70 leu    hd22       3.296  0.000   2
constraint    70 leu       h        70 leu    hd21       3.296  0.000   1
constraint    64 leu       h        65 pro     hd1       3.338  0.000   3
constraint    64 leu       h        65 pro     hd2       3.338  0.000   2
constraint    67 ile      ha        70 leu       h       3.338  0.000   1
constraint    64 leu       h        65 pro     hd1       3.154  0.000   3
constraint    64 leu       h        65 pro     hd2       3.154  0.000   2
constraint    92 val      ha        95 ala       h       3.154  0.000   1
constraint    64 leu       h        67 ile       h       4.742  0.000   3
constraint    67 ile       h        70 leu       h       4.742  0.000   2
constraint    93 leu       h        95 ala       h       4.742  0.000   1
constraint    64 leu       h        67 ile     hd3       6.000  0.000   6
constraint    64 leu       h        67 ile     hd2       6.000  0.000   5
constraint    64 leu       h        67 ile     hd1       6.000  0.000   4
constraint    67 ile     hd3        70 leu       h       6.000  0.000   3
constraint    67 ile     hd2        70 leu       h       6.000  0.000   2
constraint    67 ile     hd1        70 leu       h       6.000  0.000   1
constraint    64 leu      ha        64 leu    hd13       2.864  0.000   6
constraint    64 leu      ha        64 leu    hd12       2.864  0.000   5
constraint    64 leu      ha        64 leu    hd11       2.864  0.000   4
constraint    64 leu      ha        64 leu    hd23       2.864  0.000   3
constraint    64 leu      ha        64 leu    hd22       2.864  0.000   2
constraint    64 leu      ha        64 leu    hd21       2.864  0.000   1
constraint    64 leu      ha        65 pro      ha       5.000  0.000   1
constraint    64 leu      ha        66 glu       h       4.714  0.000   1
constraint    64 leu      ha        67 ile       h       3.995  0.000   1
constraint    64 leu      ha        67 ile    hg11       5.000  0.000   2
constraint    64 leu      ha        67 ile    hg12       5.000  0.000   1
constraint    64 leu      ha        67 ile     hd3       4.400  0.000   3
constraint    64 leu      ha        67 ile     hd2       4.400  0.000   2
constraint    64 leu      ha        67 ile     hd1       4.400  0.000   1
constraint    64 leu      ha        67 ile     hd3       5.000  0.000   3
constraint    64 leu      ha        67 ile     hd2       5.000  0.000   2
constraint    64 leu      ha        67 ile     hd1       5.000  0.000   1
constraint    64 leu     hb1        65 pro     hd1       3.402  0.000   8
constraint    64 leu     hb1        65 pro     hd2       3.402  0.000   7
constraint    64 leu     hb2        65 pro     hd1       3.402  0.000   6
constraint    64 leu     hb2        65 pro     hd2       3.402  0.000   5
constraint    74 lys     hb1        75 pro     hd1       3.402  0.000   4
constraint    74 lys     hb1        75 pro     hd2       3.402  0.000   3
constraint    74 lys     hb2        75 pro     hd1       3.402  0.000   2
constraint    74 lys     hb2        75 pro     hd2       3.402  0.000   1
constraint    64 leu     hb1        66 glu       h       4.444  0.000   8
constraint    64 leu     hb2        66 glu       h       4.444  0.000   7
constraint    64 leu      hg        68 gln    he21       4.444  0.000   6
constraint    64 leu      hg        68 gln    he22       4.444  0.000   5
constraint    68 gln    he21        74 lys     hb1       4.444  0.000   4
constraint    68 gln    he21        74 lys     hb2       4.444  0.000   3
constraint    68 gln    he22        74 lys     hb1       4.444  0.000   2
constraint    68 gln    he22        74 lys     hb2       4.444  0.000   1
constraint    64 leu    hd13        68 gln     hg1       3.640  0.000  12
constraint    64 leu    hd12        68 gln     hg1       3.640  0.000  11
constraint    64 leu    hd11        68 gln     hg1       3.640  0.000  10
constraint    64 leu    hd13        68 gln     hg2       3.640  0.000   9
constraint    64 leu    hd12        68 gln     hg2       3.640  0.000   8
constraint    64 leu    hd11        68 gln     hg2       3.640  0.000   7
constraint    64 leu    hd23        68 gln     hg1       3.640  0.000   6
constraint    64 leu    hd22        68 gln     hg1       3.640  0.000   5
constraint    64 leu    hd21        68 gln     hg1       3.640  0.000   4
constraint    64 leu    hd23        68 gln     hg2       3.640  0.000   3
constraint    64 leu    hd22        68 gln     hg2       3.640  0.000   2
constraint    64 leu    hd21        68 gln     hg2       3.640  0.000   1
constraint    64 leu    hd13        68 gln    he21       3.992  0.000  24
constraint    64 leu    hd12        68 gln    he21       3.992  0.000  23
constraint    64 leu    hd11        68 gln    he21       3.992  0.000  22
constraint    64 leu    hd13        68 gln    he22       3.992  0.000  21
constraint    64 leu    hd12        68 gln    he22       3.992  0.000  20
constraint    64 leu    hd11        68 gln    he22       3.992  0.000  19
constraint    64 leu    hd23        68 gln    he21       3.992  0.000  18
constraint    64 leu    hd22        68 gln    he21       3.992  0.000  17
constraint    64 leu    hd21        68 gln    he21       3.992  0.000  16
constraint    64 leu    hd23        68 gln    he22       3.992  0.000  15
constraint    64 leu    hd22        68 gln    he22       3.992  0.000  14
constraint    64 leu    hd21        68 gln    he22       3.992  0.000  13
constraint    68 gln    he21        76 val    hg13       3.992  0.000  12
constraint    68 gln    he21        76 val    hg12       3.992  0.000  11
constraint    68 gln    he21        76 val    hg11       3.992  0.000  10
constraint    68 gln    he21        76 val    hg23       3.992  0.000   9
constraint    68 gln    he21        76 val    hg22       3.992  0.000   8
constraint    68 gln    he21        76 val    hg21       3.992  0.000   7
constraint    68 gln    he22        76 val    hg13       3.992  0.000   6
constraint    68 gln    he22        76 val    hg12       3.992  0.000   5
constraint    68 gln    he22        76 val    hg11       3.992  0.000   4
constraint    68 gln    he22        76 val    hg23       3.992  0.000   3
constraint    68 gln    he22        76 val    hg22       3.992  0.000   2
constraint    68 gln    he22        76 val    hg21       3.992  0.000   1
constraint    64 leu    hd13        68 gln    he21       4.243  0.000  12
constraint    64 leu    hd12        68 gln    he21       4.243  0.000  11
constraint    64 leu    hd11        68 gln    he21       4.243  0.000  10
constraint    64 leu    hd13        68 gln    he22       4.243  0.000   9
constraint    64 leu    hd12        68 gln    he22       4.243  0.000   8
constraint    64 leu    hd11        68 gln    he22       4.243  0.000   7
constraint    64 leu    hd23        68 gln    he21       4.243  0.000   6
constraint    64 leu    hd22        68 gln    he21       4.243  0.000   5
constraint    64 leu    hd21        68 gln    he21       4.243  0.000   4
constraint    64 leu    hd23        68 gln    he22       4.243  0.000   3
constraint    64 leu    hd22        68 gln    he22       4.243  0.000   2
constraint    64 leu    hd21        68 gln    he22       4.243  0.000   1
constraint    64 leu    hd13        77 glu      ha       3.783  0.000   6
constraint    64 leu    hd12        77 glu      ha       3.783  0.000   5
constraint    64 leu    hd11        77 glu      ha       3.783  0.000   4
constraint    64 leu    hd23        77 glu      ha       3.783  0.000   3
constraint    64 leu    hd22        77 glu      ha       3.783  0.000   2
constraint    64 leu    hd21        77 glu      ha       3.783  0.000   1
constraint    65 pro      ha        65 pro     hb1       2.840  0.000   2
constraint    65 pro      ha        65 pro     hb2       2.840  0.000   1
constraint    65 pro      ha        65 pro     hg1       4.010  0.000   4
constraint    65 pro      ha        65 pro     hg2       4.010  0.000   3
constraint    65 pro      ha        68 gln     hb1       4.010  0.000   2
constraint    65 pro      ha        68 gln     hb2       4.010  0.000   1
constraint    65 pro      ha        65 pro     hd1       3.818  0.000   2
constraint    65 pro      ha        65 pro     hd2       3.818  0.000   1
constraint    65 pro      ha        65 pro     hd1       4.458  0.000   1
constraint    65 pro      ha        65 pro     hd2       4.458  0.000   1
constraint    65 pro      ha        67 ile       h       4.759  0.000   1
constraint    65 pro      ha        68 gln       h       5.000  0.000   1
constraint    65 pro      ha        68 gln     hg1       4.279  0.000   2
constraint    65 pro      ha        68 gln     hg2       4.279  0.000   1
constraint    65 pro     hb1        65 pro     hd1       3.846  0.000   4
constraint    65 pro     hb1        65 pro     hd2       3.846  0.000   3
constraint    65 pro     hb2        65 pro     hd1       3.846  0.000   2
constraint    65 pro     hb2        65 pro     hd2       3.846  0.000   1
constraint    65 pro     hb1        67 ile    hg11       4.982  0.000   9
constraint    65 pro     hb1        67 ile    hg12       4.982  0.000   8
constraint    65 pro     hb2        67 ile    hg11       4.982  0.000   7
constraint    65 pro     hb2        67 ile    hg12       4.982  0.000   6
constraint    66 glu     hg1        67 ile    hg11       4.982  0.000   5
constraint    66 glu     hg1        67 ile    hg12       4.982  0.000   4
constraint    66 glu     hg1        71 leu      hg       4.982  0.000   3
constraint    66 glu     hg2        67 ile    hg11       4.982  0.000   2
constraint    66 glu     hg2        67 ile    hg12       4.982  0.000   1
constraint    65 pro     hb1        67 ile    hg11       8.000  0.000   8
constraint    65 pro     hb1        67 ile    hg12       8.000  0.000   7
constraint    65 pro     hb2        67 ile    hg11       8.000  0.000   6
constraint    65 pro     hb2        67 ile    hg12       8.000  0.000   5
constraint    66 glu     hg1        67 ile    hg11       8.000  0.000   4
constraint    66 glu     hg1        67 ile    hg12       8.000  0.000   3
constraint    66 glu     hg2        67 ile    hg11       8.000  0.000   2
constraint    66 glu     hg2        67 ile    hg12       8.000  0.000   1
constraint    65 pro     hg1        65 pro     hd1       3.277  0.000   4
constraint    65 pro     hg1        65 pro     hd2       3.277  0.000   3
constraint    65 pro     hg2        65 pro     hd1       3.277  0.000   2
constraint    65 pro     hg2        65 pro     hd2       3.277  0.000   1
constraint    65 pro     hd1        66 glu       h       3.395  0.000   2
constraint    65 pro     hd2        66 glu       h       3.395  0.000   1
constraint    65 pro     hd1        66 glu       h       3.953  0.000   1
constraint    65 pro     hd2        66 glu       h       3.953  0.000   1
constraint    66 glu       h        67 ile       h       3.241  0.000   1
constraint    66 glu       h        67 ile    hg11       4.952  0.000   2
constraint    66 glu       h        67 ile    hg12       4.952  0.000   1
constraint    66 glu       h        67 ile    hg11       8.000  0.000   1
constraint    66 glu       h        67 ile    hg12       8.000  0.000   1
constraint    66 glu      ha        66 glu     hb1       2.713  0.000   2
constraint    66 glu      ha        66 glu     hb2       2.713  0.000   1
constraint    66 glu      ha        66 glu     hb1       3.071  0.000   1
constraint    66 glu      ha        66 glu     hb2       3.071  0.000   1
constraint    66 glu      ha        66 glu     hg1       3.797  0.000   2
constraint    66 glu      ha        66 glu     hg2       3.797  0.000   1
constraint    66 glu      ha        68 gln       h       4.961  0.000   1
constraint    66 glu      ha        69 arg     hd1       4.696  0.000   2
constraint    66 glu      ha        69 arg     hd2       4.696  0.000   1
constraint    66 glu      ha        69 arg      he       3.448  0.000   1
constraint    66 glu     hb1        67 ile       h       3.248  0.000   3
constraint    66 glu     hb2        67 ile       h       3.248  0.000   2
constraint    92 val      hb        93 leu       h       3.248  0.000   1
constraint    66 glu     hb1        67 ile       h       3.633  0.000   2
constraint    66 glu     hb2        67 ile       h       3.633  0.000   1
constraint    66 glu     hg1        67 ile       h       4.308  0.000   2
constraint    66 glu     hg2        67 ile       h       4.308  0.000   1
constraint    66 glu     hg1        70 leu       h       4.983  0.000   2
constraint    66 glu     hg2        70 leu       h       4.983  0.000   1
constraint    67 ile       h        67 ile      hb       3.027  0.000   1
constraint    67 ile       h        67 ile    hg11       3.558  0.000   2
constraint    67 ile       h        67 ile    hg12       3.558  0.000   1
constraint    67 ile       h        67 ile     hd3       3.916  0.000   3
constraint    67 ile       h        67 ile     hd2       3.916  0.000   2
constraint    67 ile       h        67 ile     hd1       3.916  0.000   1
constraint    67 ile       h        68 gln       h       3.401  0.000   1
constraint    67 ile       h        68 gln     hg1       7.000  0.000   2
constraint    67 ile       h        68 gln     hg2       7.000  0.000   1
constraint    67 ile      ha        67 ile    hg11       3.120  0.000   2
constraint    67 ile      ha        67 ile    hg12       3.120  0.000   1
constraint    67 ile      ha        67 ile    hg11       3.540  0.000   1
constraint    67 ile      ha        67 ile    hg12       3.540  0.000   1
constraint    67 ile      ha        67 ile    hg23       2.962  0.000   3
constraint    67 ile      ha        67 ile    hg22       2.962  0.000   2
constraint    67 ile      ha        67 ile    hg21       2.962  0.000   1
constraint    67 ile      ha        67 ile     hd3       3.144  0.000   3
constraint    67 ile      ha        67 ile     hd2       3.144  0.000   2
constraint    67 ile      ha        67 ile     hd1       3.144  0.000   1
constraint    67 ile      ha        69 arg       h       4.463  0.000   1
constraint    67 ile      ha        70 leu     hb1       3.353  0.000   4
constraint    67 ile      ha        70 leu     hb2       3.353  0.000   3
constraint    91 gly     ha1        94 lys     hb1       3.353  0.000   2
constraint    91 gly     ha2        94 lys     hb1       3.353  0.000   1
constraint    67 ile      ha        70 leu    hd13       3.064  0.000   6
constraint    67 ile      ha        70 leu    hd12       3.064  0.000   5
constraint    67 ile      ha        70 leu    hd11       3.064  0.000   4
constraint    67 ile      ha        70 leu    hd23       3.064  0.000   3
constraint    67 ile      ha        70 leu    hd22       3.064  0.000   2
constraint    67 ile      ha        70 leu    hd21       3.064  0.000   1
constraint    67 ile      ha        71 leu       h       4.280  0.000   1
constraint    67 ile      ha        71 leu       h       4.324  0.000   1
constraint    67 ile      ha        71 leu       h       4.372  0.000   1
constraint    67 ile      hb        67 ile    hg11       3.404  0.000   2
constraint    67 ile      hb        67 ile    hg12       3.404  0.000   1
constraint    67 ile      hb        68 gln       h       3.478  0.000   1
constraint    67 ile    hg11        67 ile    hg23       3.506  0.000   6
constraint    67 ile    hg11        67 ile    hg22       3.506  0.000   5
constraint    67 ile    hg11        67 ile    hg21       3.506  0.000   4
constraint    67 ile    hg12        67 ile    hg23       3.506  0.000   3
constraint    67 ile    hg12        67 ile    hg22       3.506  0.000   2
constraint    67 ile    hg12        67 ile    hg21       3.506  0.000   1
constraint    67 ile    hg11        67 ile     hd3       2.829  0.000   6
constraint    67 ile    hg11        67 ile     hd2       2.829  0.000   5
constraint    67 ile    hg11        67 ile     hd1       2.829  0.000   4
constraint    67 ile    hg12        67 ile     hd3       2.829  0.000   3
constraint    67 ile    hg12        67 ile     hd2       2.829  0.000   2
constraint    67 ile    hg12        67 ile     hd1       2.829  0.000   1
constraint    67 ile    hg11        67 ile     hd3       3.221  0.000   3
constraint    67 ile    hg11        67 ile     hd2       3.221  0.000   2
constraint    67 ile    hg11        67 ile     hd1       3.221  0.000   1
constraint    67 ile    hg11        68 gln       h       4.448  0.000   2
constraint    67 ile    hg12        68 gln       h       4.448  0.000   1
constraint    67 ile    hg11        68 gln       h       5.000  0.000   1
constraint    67 ile    hg12        67 ile     hd3       3.221  0.000   3
constraint    67 ile    hg12        67 ile     hd2       3.221  0.000   2
constraint    67 ile    hg12        67 ile     hd1       3.221  0.000   1
constraint    67 ile    hg12        68 gln       h       5.000  0.000   1
constraint    67 ile    hg23        67 ile     hd3       2.724  0.000   9
constraint    67 ile    hg23        67 ile     hd2       2.724  0.000   8
constraint    67 ile    hg23        67 ile     hd1       2.724  0.000   7
constraint    67 ile    hg22        67 ile     hd3       2.724  0.000   6
constraint    67 ile    hg22        67 ile     hd2       2.724  0.000   5
constraint    67 ile    hg22        67 ile     hd1       2.724  0.000   4
constraint    67 ile    hg21        67 ile     hd3       2.724  0.000   3
constraint    67 ile    hg21        67 ile     hd2       2.724  0.000   2
constraint    67 ile    hg21        67 ile     hd1       2.724  0.000   1
constraint    67 ile    hg23        68 gln       h       4.379  0.000   3
constraint    67 ile    hg22        68 gln       h       4.379  0.000   2
constraint    67 ile    hg21        68 gln       h       4.379  0.000   1
constraint    67 ile     hd3        68 gln      ha       8.000  0.000   3
constraint    67 ile     hd2        68 gln      ha       8.000  0.000   2
constraint    67 ile     hd1        68 gln      ha       8.000  0.000   1
constraint    68 gln       h        68 gln     hg1       3.354  0.000   2
constraint    68 gln       h        68 gln     hg2       3.354  0.000   1
constraint    68 gln       h        68 gln    he21       5.000  0.000   4
constraint    68 gln       h        68 gln    he22       5.000  0.000   3
constraint    73 asn       h        73 asn    hd21       5.000  0.000   2
constraint    73 asn       h        73 asn    hd22       5.000  0.000   1
constraint    68 gln       h        69 arg       h       3.489  0.000   1
constraint    68 gln      ha        68 gln    he21       3.298  0.000   2
constraint    68 gln      ha        68 gln    he22       3.298  0.000   1
constraint    68 gln      ha        68 gln    he21       4.218  0.000   1
constraint    68 gln      ha        68 gln    he22       4.218  0.000   1
constraint    68 gln      ha        69 arg       h       3.133  0.000   2
constraint    69 arg       h        69 arg      ha       3.133  0.000   1
constraint    68 gln      ha        71 leu       h       3.673  0.000   1
constraint    68 gln      ha        72 pro      ha       4.429  0.000   2
constraint    69 arg      ha        72 pro      ha       4.429  0.000   1
constraint    68 gln     hb1        68 gln     hg1       3.592  0.000   4
constraint    68 gln     hb1        68 gln     hg2       3.592  0.000   3
constraint    68 gln     hb2        68 gln     hg1       3.592  0.000   2
constraint    68 gln     hb2        68 gln     hg2       3.592  0.000   1
constraint    68 gln     hb1        68 gln    he21       4.657  0.000   8
constraint    68 gln     hb1        68 gln    he22       4.657  0.000   7
constraint    68 gln     hb2        68 gln    he21       4.657  0.000   6
constraint    68 gln     hb2        68 gln    he22       4.657  0.000   5
constraint    68 gln    he21        72 pro     hb1       4.657  0.000   4
constraint    68 gln    he21        72 pro     hb2       4.657  0.000   3
constraint    68 gln    he22        72 pro     hb1       4.657  0.000   2
constraint    68 gln    he22        72 pro     hb2       4.657  0.000   1
constraint    68 gln     hb1        69 arg       h       3.727  0.000   2
constraint    68 gln     hb2        69 arg       h       3.727  0.000   1
constraint    68 gln     hg1        68 gln    he21       3.419  0.000   4
constraint    68 gln     hg1        68 gln    he22       3.419  0.000   3
constraint    68 gln     hg2        68 gln    he21       3.419  0.000   2
constraint    68 gln     hg2        68 gln    he22       3.419  0.000   1
constraint    68 gln     hg1        68 gln    he21       4.239  0.000   2
constraint    68 gln     hg2        68 gln    he21       4.239  0.000   1
constraint    68 gln     hg1        68 gln    he22       4.239  0.000   2
constraint    68 gln     hg2        68 gln    he22       4.239  0.000   1
constraint    68 gln     hg1        69 arg       h       4.765  0.000   2
constraint    68 gln     hg2        69 arg       h       4.765  0.000   1
constraint    68 gln     hg1        72 pro      ha       5.000  0.000   2
constraint    68 gln     hg2        72 pro      ha       5.000  0.000   1
constraint    68 gln    he21        68 gln    he22       2.563  0.000   1
constraint    68 gln    he21        72 pro      ha       3.749  0.000   2
constraint    68 gln    he22        72 pro      ha       3.749  0.000   1
constraint    68 gln    he21        72 pro      ha       4.545  0.000   1
constraint    68 gln    he21        74 lys       h       4.926  0.000   2
constraint    68 gln    he22        74 lys       h       4.926  0.000   1
constraint    68 gln    he21        76 val       h       5.000  0.000   1
constraint    68 gln    he21        76 val      hb       4.657  0.000   2
constraint    68 gln    he22        76 val      hb       4.657  0.000   1
constraint    68 gln    he21        76 val    hg13       4.193  0.000  12
constraint    68 gln    he21        76 val    hg12       4.193  0.000  11
constraint    68 gln    he21        76 val    hg11       4.193  0.000  10
constraint    68 gln    he21        76 val    hg23       4.193  0.000   9
constraint    68 gln    he21        76 val    hg22       4.193  0.000   8
constraint    68 gln    he21        76 val    hg21       4.193  0.000   7
constraint    68 gln    he22        76 val    hg13       4.193  0.000   6
constraint    68 gln    he22        76 val    hg12       4.193  0.000   5
constraint    68 gln    he22        76 val    hg11       4.193  0.000   4
constraint    68 gln    he22        76 val    hg23       4.193  0.000   3
constraint    68 gln    he22        76 val    hg22       4.193  0.000   2
constraint    68 gln    he22        76 val    hg21       4.193  0.000   1
constraint    68 gln    he22        72 pro      ha       4.545  0.000   1
constraint    68 gln    he22        76 val       h       5.000  0.000   1
constraint    69 arg       h        69 arg     hd1       5.000  0.000   1
constraint    69 arg       h        69 arg     hd2       5.000  0.000   1
constraint    69 arg       h        70 leu       h       3.338  0.000   1
constraint    69 arg       h        70 leu      ha       8.000  0.000   1
constraint    69 arg      ha        69 arg     hd1       3.795  0.000   2
constraint    69 arg      ha        69 arg     hd2       3.795  0.000   1
constraint    69 arg     hb1        69 arg     hd1       3.702  0.000   4
constraint    69 arg     hb1        69 arg     hd2       3.702  0.000   3
constraint    69 arg     hb2        69 arg     hd1       3.702  0.000   2
constraint    69 arg     hb2        69 arg     hd2       3.702  0.000   1
constraint    69 arg     hb1        69 arg     hd1       4.260  0.000   2
constraint    69 arg     hb1        69 arg     hd2       4.260  0.000   1
constraint    69 arg     hb2        69 arg     hd1       4.260  0.000   2
constraint    69 arg     hb2        69 arg     hd2       4.260  0.000   1
constraint    69 arg     hg1        69 arg     hd1       2.748  0.000   4
constraint    69 arg     hg1        69 arg     hd2       2.748  0.000   3
constraint    69 arg     hg2        69 arg     hd1       2.748  0.000   2
constraint    69 arg     hg2        69 arg     hd2       2.748  0.000   1
constraint    69 arg     hg1        69 arg     hd1       3.096  0.000   2
constraint    69 arg     hg1        69 arg     hd2       3.096  0.000   1
constraint    69 arg     hg1        69 arg     hd1       3.087  0.000   2
constraint    69 arg     hg2        69 arg     hd1       3.087  0.000   1
constraint    69 arg     hg1        69 arg     hd1       3.488  0.000   1
constraint    69 arg     hg1        69 arg     hd2       3.087  0.000   2
constraint    69 arg     hg2        69 arg     hd2       3.087  0.000   1
constraint    69 arg     hg1        69 arg     hd2       3.488  0.000   1
constraint    69 arg     hg1        72 pro      ha       5.000  0.000   6
constraint    69 arg     hg2        72 pro      ha       5.000  0.000   5
constraint    71 leu     hb1        72 pro      ha       5.000  0.000   4
constraint    71 leu     hb2        72 pro      ha       5.000  0.000   3
constraint    72 pro      ha        74 lys     hb1       5.000  0.000   2
constraint    72 pro      ha        74 lys     hb2       5.000  0.000   1
constraint    69 arg     hg2        69 arg     hd1       3.096  0.000   2
constraint    69 arg     hg2        69 arg     hd2       3.096  0.000   1
constraint    69 arg     hg2        69 arg     hd1       3.488  0.000   1
constraint    69 arg     hg2        69 arg     hd2       3.488  0.000   1
constraint    70 leu       h        71 leu      ha       5.000  0.000   2
constraint    71 leu      ha        74 lys       h       5.000  0.000   1
constraint    70 leu       h        72 pro      ha       4.316  0.000   7
constraint    72 pro      ha        74 lys       h       4.316  0.000   6
constraint    72 pro      ha       106 asn    hd21       4.316  0.000   5
constraint    72 pro      ha       106 asn    hd22       4.316  0.000   4
constraint    74 lys       h       106 asn      ha       4.316  0.000   3
constraint   106 asn      ha       106 asn    hd21       4.316  0.000   2
constraint   106 asn      ha       106 asn    hd22       4.316  0.000   1
constraint    70 leu       h        72 pro     hd1       5.000  0.000   4
constraint    70 leu       h        72 pro     hd2       5.000  0.000   3
constraint    72 pro     hd1        74 lys       h       5.000  0.000   2
constraint    72 pro     hd2        74 lys       h       5.000  0.000   1
constraint    70 leu      ha        70 leu      hg       3.499  0.000   1
constraint    70 leu      ha        70 leu    hd13       2.660  0.000   6
constraint    70 leu      ha        70 leu    hd12       2.660  0.000   5
constraint    70 leu      ha        70 leu    hd11       2.660  0.000   4
constraint    70 leu      ha        70 leu    hd23       2.660  0.000   3
constraint    70 leu      ha        70 leu    hd22       2.660  0.000   2
constraint    70 leu      ha        70 leu    hd21       2.660  0.000   1
constraint    70 leu      ha        72 pro     hd1       4.273  0.000   2
constraint    70 leu      ha        72 pro     hd2       4.273  0.000   1
constraint    70 leu     hb1        71 leu       h       3.798  0.000   2
constraint    70 leu     hb2        71 leu       h       3.798  0.000   1
constraint    70 leu    hd13        71 leu       h       4.085  0.000   6
constraint    70 leu    hd12        71 leu       h       4.085  0.000   5
constraint    70 leu    hd11        71 leu       h       4.085  0.000   4
constraint    70 leu    hd23        71 leu       h       4.085  0.000   3
constraint    70 leu    hd22        71 leu       h       4.085  0.000   2
constraint    70 leu    hd21        71 leu       h       4.085  0.000   1
constraint    71 leu       h        71 leu     hb1       3.565  0.000   2
constraint    71 leu       h        71 leu     hb2       3.565  0.000   1
constraint    71 leu       h        71 leu      hg       3.629  0.000   1
constraint    71 leu       h        71 leu    hd13       3.592  0.000   6
constraint    71 leu       h        71 leu    hd12       3.592  0.000   5
constraint    71 leu       h        71 leu    hd11       3.592  0.000   4
constraint    71 leu       h        71 leu    hd23       3.592  0.000   3
constraint    71 leu       h        71 leu    hd22       3.592  0.000   2
constraint    71 leu       h        71 leu    hd21       3.592  0.000   1
constraint    71 leu       h        71 leu    hd13       4.076  0.000   3
constraint    71 leu       h        71 leu    hd12       4.076  0.000   2
constraint    71 leu       h        71 leu    hd11       4.076  0.000   1
constraint    71 leu       h        71 leu    hd23       4.076  0.000   3
constraint    71 leu       h        71 leu    hd22       4.076  0.000   2
constraint    71 leu       h        71 leu    hd21       4.076  0.000   1
constraint    71 leu       h        72 pro     hd1       3.803  0.000   2
constraint    71 leu       h        72 pro     hd2       3.803  0.000   1
constraint    71 leu       h        72 pro     hd1       4.280  0.000   1
constraint    71 leu       h        72 pro     hd2       4.280  0.000   1
constraint    71 leu      ha        71 leu     hb1       3.780  0.000   2
constraint    71 leu      ha        71 leu     hb2       3.780  0.000   1
constraint    71 leu      ha        71 leu     hb1       4.350  0.000   1
constraint    71 leu      ha        71 leu     hb2       4.350  0.000   1
constraint    71 leu      ha        71 leu      hg       4.259  0.000   1
constraint    71 leu      ha        71 leu    hd13       3.292  0.000   6
constraint    71 leu      ha        71 leu    hd12       3.292  0.000   5
constraint    71 leu      ha        71 leu    hd11       3.292  0.000   4
constraint    71 leu      ha        71 leu    hd23       3.292  0.000   3
constraint    71 leu      ha        71 leu    hd22       3.292  0.000   2
constraint    71 leu      ha        71 leu    hd21       3.292  0.000   1
constraint    71 leu      ha        71 leu    hd13       4.423  0.000   3
constraint    71 leu      ha        71 leu    hd12       4.423  0.000   2
constraint    71 leu      ha        71 leu    hd11       4.423  0.000   1
constraint    71 leu      ha        71 leu    hd23       4.423  0.000   3
constraint    71 leu      ha        71 leu    hd22       4.423  0.000   2
constraint    71 leu      ha        71 leu    hd21       4.423  0.000   1
constraint    71 leu      ha        72 pro     hd1       3.349  0.000   2
constraint    71 leu      ha        72 pro     hd2       3.349  0.000   1
constraint    71 leu      ha        72 pro     hd1       3.887  0.000   1
constraint    71 leu      ha        72 pro     hd2       3.887  0.000   1
constraint    71 leu      ha        74 lys     hg1       5.000  0.000   2
constraint    71 leu      ha        74 lys     hg2       5.000  0.000   1
constraint    71 leu     hb1        72 pro     hd1       4.116  0.000   4
constraint    71 leu     hb1        72 pro     hd2       4.116  0.000   3
constraint    71 leu     hb2        72 pro     hd1       4.116  0.000   2
constraint    71 leu     hb2        72 pro     hd2       4.116  0.000   1
constraint    71 leu     hb1        72 pro     hd1       5.000  0.000   2
constraint    71 leu     hb2        72 pro     hd1       5.000  0.000   1
constraint    71 leu     hb1        72 pro     hd2       5.000  0.000   2
constraint    71 leu     hb2        72 pro     hd2       5.000  0.000   1
constraint    71 leu    hd13        72 pro     hd1       4.921  0.000  12
constraint    71 leu    hd12        72 pro     hd1       4.921  0.000  11
constraint    71 leu    hd11        72 pro     hd1       4.921  0.000  10
constraint    71 leu    hd13        72 pro     hd2       4.921  0.000   9
constraint    71 leu    hd12        72 pro     hd2       4.921  0.000   8
constraint    71 leu    hd11        72 pro     hd2       4.921  0.000   7
constraint    71 leu    hd23        72 pro     hd1       4.921  0.000   6
constraint    71 leu    hd22        72 pro     hd1       4.921  0.000   5
constraint    71 leu    hd21        72 pro     hd1       4.921  0.000   4
constraint    71 leu    hd23        72 pro     hd2       4.921  0.000   3
constraint    71 leu    hd22        72 pro     hd2       4.921  0.000   2
constraint    71 leu    hd21        72 pro     hd2       4.921  0.000   1
constraint    71 leu    hd13        74 lys     he1       7.000  0.000  12
constraint    71 leu    hd12        74 lys     he1       7.000  0.000  11
constraint    71 leu    hd11        74 lys     he1       7.000  0.000  10
constraint    71 leu    hd13        74 lys     he2       7.000  0.000   9
constraint    71 leu    hd12        74 lys     he2       7.000  0.000   8
constraint    71 leu    hd11        74 lys     he2       7.000  0.000   7
constraint    71 leu    hd23        74 lys     he1       7.000  0.000   6
constraint    71 leu    hd22        74 lys     he1       7.000  0.000   5
constraint    71 leu    hd21        74 lys     he1       7.000  0.000   4
constraint    71 leu    hd23        74 lys     he2       7.000  0.000   3
constraint    71 leu    hd22        74 lys     he2       7.000  0.000   2
constraint    71 leu    hd21        74 lys     he2       7.000  0.000   1
constraint    72 pro      ha        72 pro     hb1       3.198  0.000   2
constraint    72 pro      ha        72 pro     hb2       3.198  0.000   1
constraint    72 pro      ha        72 pro     hg1       4.040  0.000   2
constraint    72 pro      ha        72 pro     hg2       4.040  0.000   1
constraint    72 pro      ha        72 pro     hd1       3.828  0.000   2
constraint    72 pro      ha        72 pro     hd2       3.828  0.000   1
constraint    72 pro      ha        72 pro     hd1       4.503  0.000   1
constraint    72 pro      ha        72 pro     hd2       4.503  0.000   1
constraint    72 pro      ha        73 asn       h       3.299  0.000   1
constraint    72 pro     hb1        72 pro     hd1       3.267  0.000   4
constraint    72 pro     hb1        72 pro     hd2       3.267  0.000   3
constraint    72 pro     hb2        72 pro     hd1       3.267  0.000   2
constraint    72 pro     hb2        72 pro     hd2       3.267  0.000   1
constraint    72 pro     hb1        72 pro     hd1       3.939  0.000   2
constraint    72 pro     hb1        72 pro     hd2       3.939  0.000   1
constraint    72 pro     hb1        72 pro     hd1       4.196  0.000   2
constraint    72 pro     hb2        72 pro     hd1       4.196  0.000   1
constraint    72 pro     hb1        72 pro     hd2       4.196  0.000   2
constraint    72 pro     hb2        72 pro     hd2       4.196  0.000   1
constraint    72 pro     hb2        72 pro     hd1       3.939  0.000   2
constraint    72 pro     hb2        72 pro     hd2       3.939  0.000   1
constraint    72 pro     hg1        72 pro     hd1       3.371  0.000   4
constraint    72 pro     hg1        72 pro     hd2       3.371  0.000   3
constraint    72 pro     hg2        72 pro     hd1       3.371  0.000   2
constraint    72 pro     hg2        72 pro     hd2       3.371  0.000   1
constraint    72 pro     hd1        73 asn       h       3.994  0.000   2
constraint    72 pro     hd2        73 asn       h       3.994  0.000   1
constraint    72 pro     hd1        73 asn       h       4.788  0.000   1
constraint    72 pro     hd2        73 asn       h       4.788  0.000   1
constraint    73 asn       h        73 asn     hb1       3.648  0.000   2
constraint    73 asn       h        73 asn     hb2       3.648  0.000   1
constraint    73 asn       h        73 asn    hd21       5.000  0.000   2
constraint    73 asn       h        73 asn    hd22       5.000  0.000   1
constraint    73 asn       h        74 lys       h       3.391  0.000   1
constraint    73 asn      ha        73 asn     hb1       3.185  0.000   2
constraint    73 asn      ha        73 asn     hb2       3.185  0.000   1
constraint    73 asn      ha        73 asn    hd21       5.000  0.000   1
constraint    73 asn      ha        73 asn    hd22       5.000  0.000   1
constraint    73 asn     hb1        73 asn    hd21       3.177  0.000   4
constraint    73 asn     hb1        73 asn    hd22       3.177  0.000   3
constraint    73 asn     hb2        73 asn    hd21       3.177  0.000   2
constraint    73 asn     hb2        73 asn    hd22       3.177  0.000   1
constraint    73 asn     hb1        73 asn    hd21       3.845  0.000   2
constraint    73 asn     hb2        73 asn    hd21       3.845  0.000   1
constraint    73 asn     hb1        73 asn    hd22       3.845  0.000   2
constraint    73 asn     hb2        73 asn    hd22       3.845  0.000   1
constraint    73 asn    hd21        74 lys     he1       7.000  0.000   4
constraint    73 asn    hd21        74 lys     he2       7.000  0.000   3
constraint    73 asn    hd22        74 lys     he1       7.000  0.000   2
constraint    73 asn    hd22        74 lys     he2       7.000  0.000   1
constraint    74 lys       h        75 pro     hd1       4.880  0.000   3
constraint    74 lys       h        75 pro     hd2       4.880  0.000   2
constraint    93 leu      ha        95 ala       h       4.880  0.000   1
constraint    74 lys      ha        75 pro     hd1       4.714  0.000   2
constraint    74 lys      ha        75 pro     hd2       4.714  0.000   1
constraint    74 lys     hb1        74 lys     he1       5.000  0.000   4
constraint    74 lys     hb1        74 lys     he2       5.000  0.000   3
constraint    74 lys     hb2        74 lys     he1       5.000  0.000   2
constraint    74 lys     hb2        74 lys     he2       5.000  0.000   1
constraint    74 lys     hg1        74 lys     he1       3.761  0.000   2
constraint    74 lys     hg1        74 lys     he2       3.761  0.000   1
constraint    74 lys     hd1        74 lys     he1       3.741  0.000   4
constraint    74 lys     hd1        74 lys     he2       3.741  0.000   3
constraint    74 lys     hd2        74 lys     he1       3.741  0.000   2
constraint    74 lys     hd2        74 lys     he2       3.741  0.000   1
constraint    74 lys     hd1        74 lys     he1       4.361  0.000   2
constraint    74 lys     hd1        74 lys     he2       4.361  0.000   1
constraint    74 lys     hd2        74 lys     he1       4.361  0.000   2
constraint    74 lys     hd2        74 lys     he2       4.361  0.000   1
constraint    75 pro      ha        75 pro     hb1       3.242  0.000   4
constraint    75 pro      ha        75 pro     hb2       3.242  0.000   3
constraint    75 pro      ha        75 pro     hg1       3.242  0.000   2
constraint    75 pro      ha        75 pro     hg2       3.242  0.000   1
constraint    75 pro      ha        75 pro     hb1       2.933  0.000   4
constraint    75 pro      ha        75 pro     hb2       2.933  0.000   3
constraint    88 asp      ha        88 asp     hb1       2.933  0.000   2
constraint    88 asp      ha        88 asp     hb2       2.933  0.000   1
constraint    75 pro      ha        75 pro     hg1       4.370  0.000   2
constraint    75 pro      ha        75 pro     hg2       4.370  0.000   1
constraint    75 pro      ha        75 pro     hd1       4.458  0.000   2
constraint    75 pro      ha        75 pro     hd2       4.458  0.000   1
constraint    75 pro      ha        76 val       h       2.856  0.000   1
constraint    75 pro      ha        76 val      ha       4.867  0.000   1
constraint    75 pro      ha        76 val    hg13       4.178  0.000   6
constraint    75 pro      ha        76 val    hg12       4.178  0.000   5
constraint    75 pro      ha        76 val    hg11       4.178  0.000   4
constraint    75 pro      ha        76 val    hg23       4.178  0.000   3
constraint    75 pro      ha        76 val    hg22       4.178  0.000   2
constraint    75 pro      ha        76 val    hg21       4.178  0.000   1
constraint    75 pro      ha        99 ala     hb3       4.190  0.000   9
constraint    75 pro      ha        99 ala     hb2       4.190  0.000   8
constraint    75 pro      ha        99 ala     hb1       4.190  0.000   7
constraint    75 pro      ha       103 ala     hb3       4.190  0.000   6
constraint    75 pro      ha       103 ala     hb2       4.190  0.000   5
constraint    75 pro      ha       103 ala     hb1       4.190  0.000   4
constraint    83 leu     hb1        88 asp      ha       4.190  0.000   3
constraint    83 leu     hb2        88 asp      ha       4.190  0.000   2
constraint    88 asp      ha        90 leu      hg       4.190  0.000   1
constraint    75 pro     hb1        75 pro     hd1       4.357  0.000   4
constraint    75 pro     hb1        75 pro     hd2       4.357  0.000   3
constraint    75 pro     hb2        75 pro     hd1       4.357  0.000   2
constraint    75 pro     hb2        75 pro     hd2       4.357  0.000   1
constraint    75 pro     hb1        76 val       h       3.908  0.000   2
constraint    75 pro     hb2        76 val       h       3.908  0.000   1
constraint    75 pro     hb1        76 val      ha       4.704  0.000   9
constraint    75 pro     hb2        76 val      ha       4.704  0.000   8
constraint    75 pro     hg1        76 val      ha       4.704  0.000   7
constraint    75 pro     hg2        76 val      ha       4.704  0.000   6
constraint    76 val      ha        77 glu     hb1       4.704  0.000   5
constraint    76 val      ha        77 glu     hb2       4.704  0.000   4
constraint    76 val      ha        77 glu     hg1       4.704  0.000   3
constraint    76 val      ha        77 glu     hg2       4.704  0.000   2
constraint    76 val      ha        78 val      hb       4.704  0.000   1
constraint    75 pro     hb1        76 val      ha       4.704  0.000   8
constraint    75 pro     hb2        76 val      ha       4.704  0.000   7
constraint    75 pro     hg1        76 val      ha       4.704  0.000   6
constraint    75 pro     hg2        76 val      ha       4.704  0.000   5
constraint    76 val      ha        77 glu     hb1       4.704  0.000   4
constraint    76 val      ha        77 glu     hb2       4.704  0.000   3
constraint    76 val      ha        77 glu     hg1       4.704  0.000   2
constraint    76 val      ha        77 glu     hg2       4.704  0.000   1
constraint    75 pro     hb1        76 val      ha       5.000  0.000   2
constraint    75 pro     hb2        76 val      ha       5.000  0.000   1
constraint    75 pro     hb1       100 ile       h       8.000  0.000   4
constraint    75 pro     hb2       100 ile       h       8.000  0.000   3
constraint    86 lys       h        88 asp     hb1       8.000  0.000   2
constraint    86 lys       h        88 asp     hb2       8.000  0.000   1
constraint    75 pro     hb1       100 ile      ha       5.000  0.000   2
constraint    75 pro     hb2       100 ile      ha       5.000  0.000   1
constraint    75 pro     hg1        75 pro     hd1       3.668  0.000   4
constraint    75 pro     hg1        75 pro     hd2       3.668  0.000   3
constraint    75 pro     hg2        75 pro     hd1       3.668  0.000   2
constraint    75 pro     hg2        75 pro     hd2       3.668  0.000   1
constraint    75 pro     hg1        76 val       h       5.000  0.000   4
constraint    75 pro     hg1       101 lys       h       5.000  0.000   3
constraint    75 pro     hg2        76 val       h       5.000  0.000   2
constraint    75 pro     hg2       101 lys       h       5.000  0.000   1
constraint    75 pro     hg1       100 ile      ha       4.140  0.000   2
constraint    75 pro     hg2       100 ile      ha       4.140  0.000   1
constraint    75 pro     hd1        75 pro     hd2       2.819  0.000   1
constraint    76 val       h        76 val    hg13       3.285  0.000   6
constraint    76 val       h        76 val    hg12       3.285  0.000   5
constraint    76 val       h        76 val    hg11       3.285  0.000   4
constraint    76 val       h        76 val    hg23       3.285  0.000   3
constraint    76 val       h        76 val    hg22       3.285  0.000   2
constraint    76 val       h        76 val    hg21       3.285  0.000   1
constraint    76 val       h        76 val    hg13       4.036  0.000   3
constraint    76 val       h        76 val    hg12       4.036  0.000   2
constraint    76 val       h        76 val    hg11       4.036  0.000   1
constraint    76 val       h        76 val    hg23       4.036  0.000   3
constraint    76 val       h        76 val    hg22       4.036  0.000   2
constraint    76 val       h        76 val    hg21       4.036  0.000   1
constraint    76 val       h        77 glu       h       4.747  0.000   1
constraint    76 val      ha        77 glu       h       2.200  0.000   1
constraint    76 val      ha        77 glu       h       3.048  0.000   1
constraint    76 val      ha        77 glu      ha       4.883  0.000   1
constraint    76 val      ha        77 glu     hb1       4.993  0.000   4
constraint    76 val      ha        77 glu     hb2       4.993  0.000   3
constraint    76 val      ha        77 glu     hg1       4.993  0.000   2
constraint    76 val      ha        77 glu     hg2       4.993  0.000   1
constraint    76 val      ha        77 glu     hb1       5.000  0.000   2
constraint    76 val      ha        77 glu     hb2       5.000  0.000   1
constraint    76 val    hg13        77 glu       h       3.331  0.000   6
constraint    76 val    hg12        77 glu       h       3.331  0.000   5
constraint    76 val    hg11        77 glu       h       3.331  0.000   4
constraint    76 val    hg23        77 glu       h       3.331  0.000   3
constraint    76 val    hg22        77 glu       h       3.331  0.000   2
constraint    76 val    hg21        77 glu       h       3.331  0.000   1
constraint    77 glu      ha        77 glu     hb1       3.304  0.000   4
constraint    77 glu      ha        77 glu     hb2       3.304  0.000   3
constraint    77 glu      ha        77 glu     hg1       3.304  0.000   2
constraint    77 glu      ha        77 glu     hg2       3.304  0.000   1
constraint    77 glu      ha        77 glu     hb1       3.649  0.000   2
constraint    77 glu      ha        77 glu     hb2       3.649  0.000   1
constraint    77 glu      ha        78 val       h       2.200  0.000   1
constraint    77 glu      ha        78 val       h       2.975  0.000   1
constraint    77 glu      ha        78 val      ha       5.000  0.000   1
constraint    78 val       h        78 val      ha       2.984  0.000   2
constraint    78 val      ha        79 ile       h       2.984  0.000   1
constraint    78 val       h        78 val      ha       2.984  0.000   1
constraint    78 val       h        78 val      hb       2.999  0.000   4
constraint    78 val      hb        79 ile       h       2.999  0.000   3
constraint    80 asp       h        83 leu     hb1       2.999  0.000   2
constraint    80 asp       h        83 leu     hb2       2.999  0.000   1
constraint    78 val       h        78 val    hg13       3.015  0.000  24
constraint    78 val       h        78 val    hg12       3.015  0.000  23
constraint    78 val       h        78 val    hg11       3.015  0.000  22
constraint    78 val       h        78 val    hg23       3.015  0.000  21
constraint    78 val       h        78 val    hg22       3.015  0.000  20
constraint    78 val       h        78 val    hg21       3.015  0.000  19
constraint    78 val    hg13        79 ile       h       3.015  0.000  18
constraint    78 val    hg12        79 ile       h       3.015  0.000  17
constraint    78 val    hg11        79 ile       h       3.015  0.000  16
constraint    78 val    hg23        79 ile       h       3.015  0.000  15
constraint    78 val    hg22        79 ile       h       3.015  0.000  14
constraint    78 val    hg21        79 ile       h       3.015  0.000  13
constraint    79 ile       h        92 val    hg13       3.015  0.000  12
constraint    79 ile       h        92 val    hg12       3.015  0.000  11
constraint    79 ile       h        92 val    hg11       3.015  0.000  10
constraint    79 ile       h        92 val    hg23       3.015  0.000   9
constraint    79 ile       h        92 val    hg22       3.015  0.000   8
constraint    79 ile       h        92 val    hg21       3.015  0.000   7
constraint    80 asp       h        92 val    hg13       3.015  0.000   6
constraint    80 asp       h        92 val    hg12       3.015  0.000   5
constraint    80 asp       h        92 val    hg11       3.015  0.000   4
constraint    80 asp       h        92 val    hg23       3.015  0.000   3
constraint    80 asp       h        92 val    hg22       3.015  0.000   2
constraint    80 asp       h        92 val    hg21       3.015  0.000   1
constraint    79 ile       h        79 ile      ha       2.727  0.000   2
constraint    79 ile      ha        80 asp       h       2.727  0.000   1
constraint    79 ile       h        79 ile      hb       3.170  0.000   2
constraint    79 ile      hb        80 asp       h       3.170  0.000   1
constraint    79 ile       h        79 ile    hg11       3.429  0.000   4
constraint    79 ile       h        79 ile    hg12       3.429  0.000   3
constraint    79 ile    hg11        80 asp       h       3.429  0.000   2
constraint    79 ile    hg12        80 asp       h       3.429  0.000   1
constraint    79 ile       h        79 ile    hg23       3.248  0.000   6
constraint    79 ile       h        79 ile    hg22       3.248  0.000   5
constraint    79 ile       h        79 ile    hg21       3.248  0.000   4
constraint    79 ile    hg23        80 asp       h       3.248  0.000   3
constraint    79 ile    hg22        80 asp       h       3.248  0.000   2
constraint    79 ile    hg21        80 asp       h       3.248  0.000   1
constraint    79 ile       h        92 val    hg13       4.800  0.000  12
constraint    79 ile       h        92 val    hg12       4.800  0.000  11
constraint    79 ile       h        92 val    hg11       4.800  0.000  10
constraint    79 ile       h        92 val    hg23       4.800  0.000   9
constraint    79 ile       h        92 val    hg22       4.800  0.000   8
constraint    79 ile       h        92 val    hg21       4.800  0.000   7
constraint    80 asp       h        92 val    hg13       4.800  0.000   6
constraint    80 asp       h        92 val    hg12       4.800  0.000   5
constraint    80 asp       h        92 val    hg11       4.800  0.000   4
constraint    80 asp       h        92 val    hg23       4.800  0.000   3
constraint    80 asp       h        92 val    hg22       4.800  0.000   2
constraint    80 asp       h        92 val    hg21       4.800  0.000   1
constraint    79 ile      ha        79 ile      hb       2.824  0.000   1
constraint    79 ile      ha        80 asp     hb1       5.000  0.000   8
constraint    79 ile      ha        80 asp     hb2       5.000  0.000   7
constraint    80 asp     hb1        91 gly     ha1       5.000  0.000   6
constraint    80 asp     hb1        91 gly     ha2       5.000  0.000   5
constraint    80 asp     hb1        92 val      ha       5.000  0.000   4
constraint    80 asp     hb2        91 gly     ha1       5.000  0.000   3
constraint    80 asp     hb2        91 gly     ha2       5.000  0.000   2
constraint    80 asp     hb2        92 val      ha       5.000  0.000   1
constraint    79 ile    hg23        80 asp      ha       4.609  0.000   3
constraint    79 ile    hg22        80 asp      ha       4.609  0.000   2
constraint    79 ile    hg21        80 asp      ha       4.609  0.000   1
constraint    79 ile    hg23        80 asp     hb1       3.828  0.000   6
constraint    79 ile    hg22        80 asp     hb1       3.828  0.000   5
constraint    79 ile    hg21        80 asp     hb1       3.828  0.000   4
constraint    79 ile    hg23        80 asp     hb2       3.828  0.000   3
constraint    79 ile    hg22        80 asp     hb2       3.828  0.000   2
constraint    79 ile    hg21        80 asp     hb2       3.828  0.000   1
constraint    79 ile    hg23        80 asp     hb1       4.415  0.000   3
constraint    79 ile    hg22        80 asp     hb1       4.415  0.000   2
constraint    79 ile    hg21        80 asp     hb1       4.415  0.000   1
constraint    79 ile    hg23        80 asp     hb2       4.415  0.000   3
constraint    79 ile    hg22        80 asp     hb2       4.415  0.000   2
constraint    79 ile    hg21        80 asp     hb2       4.415  0.000   1
constraint    79 ile    hg23        81 ser       h       6.000  0.000   3
constraint    79 ile    hg22        81 ser       h       6.000  0.000   2
constraint    79 ile    hg21        81 ser       h       6.000  0.000   1
constraint    79 ile    hg23        84 tyr       h       3.685  0.000   3
constraint    79 ile    hg22        84 tyr       h       3.685  0.000   2
constraint    79 ile    hg21        84 tyr       h       3.685  0.000   1
constraint    79 ile    hg23        84 tyr      ha       3.623  0.000   3
constraint    79 ile    hg22        84 tyr      ha       3.623  0.000   2
constraint    79 ile    hg21        84 tyr      ha       3.623  0.000   1
constraint    79 ile    hg23        84 tyr     hb1       2.994  0.000   6
constraint    79 ile    hg22        84 tyr     hb1       2.994  0.000   5
constraint    79 ile    hg21        84 tyr     hb1       2.994  0.000   4
constraint    79 ile    hg23        84 tyr     hb2       2.994  0.000   3
constraint    79 ile    hg22        84 tyr     hb2       2.994  0.000   2
constraint    79 ile    hg21        84 tyr     hb2       2.994  0.000   1
constraint    79 ile    hg23        84 tyr     hb1       3.719  0.000   3
constraint    79 ile    hg22        84 tyr     hb1       3.719  0.000   2
constraint    79 ile    hg21        84 tyr     hb1       3.719  0.000   1
constraint    79 ile    hg23        84 tyr     hb2       3.719  0.000   3
constraint    79 ile    hg22        84 tyr     hb2       3.719  0.000   2
constraint    79 ile    hg21        84 tyr     hb2       3.719  0.000   1
constraint    79 ile    hg23        84 tyr     hd1       3.026  0.000   6
constraint    79 ile    hg22        84 tyr     hd1       3.026  0.000   5
constraint    79 ile    hg21        84 tyr     hd1       3.026  0.000   4
constraint    79 ile    hg23        84 tyr     hd2       3.026  0.000   3
constraint    79 ile    hg22        84 tyr     hd2       3.026  0.000   2
constraint    79 ile    hg21        84 tyr     hd2       3.026  0.000   1
constraint    79 ile    hg23        84 tyr     he1       4.488  0.000   6
constraint    79 ile    hg22        84 tyr     he1       4.488  0.000   5
constraint    79 ile    hg21        84 tyr     he1       4.488  0.000   4
constraint    79 ile    hg23        84 tyr     he2       4.488  0.000   3
constraint    79 ile    hg22        84 tyr     he2       4.488  0.000   2
constraint    79 ile    hg21        84 tyr     he2       4.488  0.000   1
constraint    79 ile    hg23        92 val    hg13       2.898  0.000  18
constraint    79 ile    hg23        92 val    hg12       2.898  0.000  17
constraint    79 ile    hg23        92 val    hg11       2.898  0.000  16
constraint    79 ile    hg22        92 val    hg13       2.898  0.000  15
constraint    79 ile    hg22        92 val    hg12       2.898  0.000  14
constraint    79 ile    hg22        92 val    hg11       2.898  0.000  13
constraint    79 ile    hg21        92 val    hg13       2.898  0.000  12
constraint    79 ile    hg21        92 val    hg12       2.898  0.000  11
constraint    79 ile    hg21        92 val    hg11       2.898  0.000  10
constraint    79 ile    hg23        92 val    hg23       2.898  0.000   9
constraint    79 ile    hg23        92 val    hg22       2.898  0.000   8
constraint    79 ile    hg23        92 val    hg21       2.898  0.000   7
constraint    79 ile    hg22        92 val    hg23       2.898  0.000   6
constraint    79 ile    hg22        92 val    hg22       2.898  0.000   5
constraint    79 ile    hg22        92 val    hg21       2.898  0.000   4
constraint    79 ile    hg21        92 val    hg23       2.898  0.000   3
constraint    79 ile    hg21        92 val    hg22       2.898  0.000   2
constraint    79 ile    hg21        92 val    hg21       2.898  0.000   1
constraint    79 ile     hd3        84 tyr      ha       3.763  0.000  15
constraint    79 ile     hd2        84 tyr      ha       3.763  0.000  14
constraint    79 ile     hd1        84 tyr      ha       3.763  0.000  13
constraint    83 leu    hd13        84 tyr      ha       3.763  0.000  12
constraint    83 leu    hd12        84 tyr      ha       3.763  0.000  11
constraint    83 leu    hd11        84 tyr      ha       3.763  0.000  10
constraint    83 leu    hd23        84 tyr      ha       3.763  0.000   9
constraint    83 leu    hd22        84 tyr      ha       3.763  0.000   8
constraint    83 leu    hd21        84 tyr      ha       3.763  0.000   7
constraint    93 leu    hd13        94 lys      ha       3.763  0.000   6
constraint    93 leu    hd12        94 lys      ha       3.763  0.000   5
constraint    93 leu    hd11        94 lys      ha       3.763  0.000   4
constraint    93 leu    hd23        94 lys      ha       3.763  0.000   3
constraint    93 leu    hd22        94 lys      ha       3.763  0.000   2
constraint    93 leu    hd21        94 lys      ha       3.763  0.000   1
constraint    79 ile     hd3        84 tyr     he1       3.681  0.000   6
constraint    79 ile     hd2        84 tyr     he1       3.681  0.000   5
constraint    79 ile     hd1        84 tyr     he1       3.681  0.000   4
constraint    79 ile     hd3        84 tyr     he2       3.681  0.000   3
constraint    79 ile     hd2        84 tyr     he2       3.681  0.000   2
constraint    79 ile     hd1        84 tyr     he2       3.681  0.000   1
constraint    79 ile     hd3        92 val    hg13       3.126  0.000  54
constraint    79 ile     hd3        92 val    hg12       3.126  0.000  53
constraint    79 ile     hd3        92 val    hg11       3.126  0.000  52
constraint    79 ile     hd2        92 val    hg13       3.126  0.000  51
constraint    79 ile     hd2        92 val    hg12       3.126  0.000  50
constraint    79 ile     hd2        92 val    hg11       3.126  0.000  49
constraint    79 ile     hd1        92 val    hg13       3.126  0.000  48
constraint    79 ile     hd1        92 val    hg12       3.126  0.000  47
constraint    79 ile     hd1        92 val    hg11       3.126  0.000  46
constraint    79 ile     hd3        92 val    hg23       3.126  0.000  45
constraint    79 ile     hd3        92 val    hg22       3.126  0.000  44
constraint    79 ile     hd3        92 val    hg21       3.126  0.000  43
constraint    79 ile     hd2        92 val    hg23       3.126  0.000  42
constraint    79 ile     hd2        92 val    hg22       3.126  0.000  41
constraint    79 ile     hd2        92 val    hg21       3.126  0.000  40
constraint    79 ile     hd1        92 val    hg23       3.126  0.000  39
constraint    79 ile     hd1        92 val    hg22       3.126  0.000  38
constraint    79 ile     hd1        92 val    hg21       3.126  0.000  37
constraint    83 leu    hd13        92 val    hg13       3.126  0.000  36
constraint    83 leu    hd13        92 val    hg12       3.126  0.000  35
constraint    83 leu    hd13        92 val    hg11       3.126  0.000  34
constraint    83 leu    hd12        92 val    hg13       3.126  0.000  33
constraint    83 leu    hd12        92 val    hg12       3.126  0.000  32
constraint    83 leu    hd12        92 val    hg11       3.126  0.000  31
constraint    83 leu    hd11        92 val    hg13       3.126  0.000  30
constraint    83 leu    hd11        92 val    hg12       3.126  0.000  29
constraint    83 leu    hd11        92 val    hg11       3.126  0.000  28
constraint    83 leu    hd13        92 val    hg23       3.126  0.000  27
constraint    83 leu    hd13        92 val    hg22       3.126  0.000  26
constraint    83 leu    hd13        92 val    hg21       3.126  0.000  25
constraint    83 leu    hd12        92 val    hg23       3.126  0.000  24
constraint    83 leu    hd12        92 val    hg22       3.126  0.000  23
constraint    83 leu    hd12        92 val    hg21       3.126  0.000  22
constraint    83 leu    hd11        92 val    hg23       3.126  0.000  21
constraint    83 leu    hd11        92 val    hg22       3.126  0.000  20
constraint    83 leu    hd11        92 val    hg21       3.126  0.000  19
constraint    83 leu    hd23        92 val    hg13       3.126  0.000  18
constraint    83 leu    hd23        92 val    hg12       3.126  0.000  17
constraint    83 leu    hd23        92 val    hg11       3.126  0.000  16
constraint    83 leu    hd22        92 val    hg13       3.126  0.000  15
constraint    83 leu    hd22        92 val    hg12       3.126  0.000  14
constraint    83 leu    hd22        92 val    hg11       3.126  0.000  13
constraint    83 leu    hd21        92 val    hg13       3.126  0.000  12
constraint    83 leu    hd21        92 val    hg12       3.126  0.000  11
constraint    83 leu    hd21        92 val    hg11       3.126  0.000  10
constraint    83 leu    hd23        92 val    hg23       3.126  0.000   9
constraint    83 leu    hd23        92 val    hg22       3.126  0.000   8
constraint    83 leu    hd23        92 val    hg21       3.126  0.000   7
constraint    83 leu    hd22        92 val    hg23       3.126  0.000   6
constraint    83 leu    hd22        92 val    hg22       3.126  0.000   5
constraint    83 leu    hd22        92 val    hg21       3.126  0.000   4
constraint    83 leu    hd21        92 val    hg23       3.126  0.000   3
constraint    83 leu    hd21        92 val    hg22       3.126  0.000   2
constraint    83 leu    hd21        92 val    hg21       3.126  0.000   1
constraint    80 asp       h        80 asp     hb1       2.848  0.000   2
constraint    80 asp       h        80 asp     hb2       2.848  0.000   1
constraint    80 asp       h        80 asp     hb1       3.276  0.000   1
constraint    80 asp       h        80 asp     hb2       3.276  0.000   1
constraint    80 asp       h        81 ser       h       4.378  0.000   1
constraint    80 asp       h        83 leu       h       5.000  0.000   1
constraint    80 asp      ha        81 ser       h       2.741  0.000   1
constraint    80 asp      ha        81 ser      ha       3.319  0.000   3
constraint    80 asp      ha        81 ser     hb1       3.319  0.000   2
constraint    80 asp      ha        81 ser     hb2       3.319  0.000   1
constraint    80 asp      ha        81 ser     hb1       3.580  0.000   2
constraint    80 asp      ha        81 ser     hb2       3.580  0.000   1
constraint    80 asp     hb1        81 ser       h       3.803  0.000   2
constraint    80 asp     hb2        81 ser       h       3.803  0.000   1
constraint    80 asp     hb1        81 ser       h       4.519  0.000   1
constraint    80 asp     hb1        82 leu       h       4.192  0.000   2
constraint    80 asp     hb2        82 leu       h       4.192  0.000   1
constraint    80 asp     hb1        82 leu       h       4.714  0.000   1
constraint    80 asp     hb1        83 leu       h       3.138  0.000   2
constraint    80 asp     hb2        83 leu       h       3.138  0.000   1
constraint    80 asp     hb1        83 leu       h       3.896  0.000   1
constraint    80 asp     hb1        83 leu      ha       4.498  0.000   2
constraint    80 asp     hb2        83 leu      ha       4.498  0.000   1
constraint    80 asp     hb1        83 leu     hb1       3.194  0.000   4
constraint    80 asp     hb1        83 leu     hb2       3.194  0.000   3
constraint    80 asp     hb2        83 leu     hb1       3.194  0.000   2
constraint    80 asp     hb2        83 leu     hb2       3.194  0.000   1
constraint    80 asp     hb1        83 leu     hb1       3.784  0.000   2
constraint    80 asp     hb1        83 leu     hb2       3.784  0.000   1
constraint    80 asp     hb1        83 leu     hb1       4.092  0.000   2
constraint    80 asp     hb2        83 leu     hb1       4.092  0.000   1
constraint    80 asp     hb1        83 leu     hb2       4.092  0.000   2
constraint    80 asp     hb2        83 leu     hb2       4.092  0.000   1
constraint    80 asp     hb1        83 leu      hg       2.877  0.000   2
constraint    80 asp     hb2        83 leu      hg       2.877  0.000   1
constraint    80 asp     hb1        83 leu      hg       3.439  0.000   1
constraint    80 asp     hb1        83 leu    hd13       3.186  0.000  12
constraint    80 asp     hb1        83 leu    hd12       3.186  0.000  11
constraint    80 asp     hb1        83 leu    hd11       3.186  0.000  10
constraint    80 asp     hb1        83 leu    hd23       3.186  0.000   9
constraint    80 asp     hb1        83 leu    hd22       3.186  0.000   8
constraint    80 asp     hb1        83 leu    hd21       3.186  0.000   7
constraint    80 asp     hb2        83 leu    hd13       3.186  0.000   6
constraint    80 asp     hb2        83 leu    hd12       3.186  0.000   5
constraint    80 asp     hb2        83 leu    hd11       3.186  0.000   4
constraint    80 asp     hb2        83 leu    hd23       3.186  0.000   3
constraint    80 asp     hb2        83 leu    hd22       3.186  0.000   2
constraint    80 asp     hb2        83 leu    hd21       3.186  0.000   1
constraint    80 asp     hb1        83 leu    hd13       4.616  0.000   6
constraint    80 asp     hb1        83 leu    hd12       4.616  0.000   5
constraint    80 asp     hb1        83 leu    hd11       4.616  0.000   4
constraint    80 asp     hb2        83 leu    hd13       4.616  0.000   3
constraint    80 asp     hb2        83 leu    hd12       4.616  0.000   2
constraint    80 asp     hb2        83 leu    hd11       4.616  0.000   1
constraint    80 asp     hb1        83 leu    hd23       4.616  0.000   6
constraint    80 asp     hb1        83 leu    hd22       4.616  0.000   5
constraint    80 asp     hb1        83 leu    hd21       4.616  0.000   4
constraint    80 asp     hb2        83 leu    hd23       4.616  0.000   3
constraint    80 asp     hb2        83 leu    hd22       4.616  0.000   2
constraint    80 asp     hb2        83 leu    hd21       4.616  0.000   1
constraint    80 asp     hb1        84 tyr       h       4.836  0.000   2
constraint    80 asp     hb2        84 tyr       h       4.836  0.000   1
constraint    80 asp     hb2        81 ser       h       4.519  0.000   1
constraint    80 asp     hb2        82 leu       h       4.714  0.000   1
constraint    80 asp     hb2        83 leu       h       3.896  0.000   1
constraint    80 asp     hb2        83 leu     hb1       3.784  0.000   2
constraint    80 asp     hb2        83 leu     hb2       3.784  0.000   1
constraint    80 asp     hb2        83 leu      hg       3.439  0.000   1
constraint    81 ser       h        81 ser      ha       3.328  0.000   1
constraint    81 ser       h        82 leu       h       3.650  0.000   1
constraint    81 ser       h        82 leu     hb1       4.360  0.000   2
constraint    81 ser       h        82 leu     hb2       4.360  0.000   1
constraint    81 ser       h        82 leu     hb1       5.000  0.000   1
constraint    81 ser       h        82 leu     hb2       5.000  0.000   1
constraint    81 ser       h        83 leu       h       6.000  0.000   1
constraint    81 ser       h        84 tyr     hb1       5.000  0.000   2
constraint    81 ser       h        84 tyr     hb2       5.000  0.000   1
constraint    81 ser       h        84 tyr     hd1       8.000  0.000   2
constraint    81 ser       h        84 tyr     hd2       8.000  0.000   1
constraint    81 ser      ha        84 tyr       h       3.792  0.000   3
constraint    84 tyr       h        85 gly     ha1       3.792  0.000   2
constraint    84 tyr       h        85 gly     ha2       3.792  0.000   1
constraint    81 ser      ha        84 tyr     hb1       3.437  0.000   4
constraint    81 ser      ha        84 tyr     hb2       3.437  0.000   3
constraint    81 ser     hb1        84 tyr     hb1       3.437  0.000   2
constraint    81 ser     hb1        84 tyr     hb2       3.437  0.000   1
constraint    82 leu       h        82 leu     hb1       2.837  0.000   2
constraint    82 leu       h        82 leu     hb2       2.837  0.000   1
constraint    82 leu       h        82 leu     hb1       3.301  0.000   1
constraint    82 leu       h        82 leu     hb2       3.301  0.000   1
constraint    82 leu       h        82 leu      hg       3.668  0.000   1
constraint    82 leu       h        83 leu       h       3.160  0.000   1
constraint    82 leu       h        84 tyr     hb1       6.000  0.000   2
constraint    82 leu       h        84 tyr     hb2       6.000  0.000   1
constraint    82 leu      ha        82 leu     hb1       3.157  0.000   2
constraint    82 leu      ha        82 leu     hb2       3.157  0.000   1
constraint    82 leu      ha        82 leu    hd13       2.791  0.000   6
constraint    82 leu      ha        82 leu    hd12       2.791  0.000   5
constraint    82 leu      ha        82 leu    hd11       2.791  0.000   4
constraint    82 leu      ha        82 leu    hd23       2.791  0.000   3
constraint    82 leu      ha        82 leu    hd22       2.791  0.000   2
constraint    82 leu      ha        82 leu    hd21       2.791  0.000   1
constraint    82 leu      ha        82 leu    hd13       3.206  0.000   3
constraint    82 leu      ha        82 leu    hd12       3.206  0.000   2
constraint    82 leu      ha        82 leu    hd11       3.206  0.000   1
constraint    82 leu      ha        82 leu    hd23       3.206  0.000   3
constraint    82 leu      ha        82 leu    hd22       3.206  0.000   2
constraint    82 leu      ha        82 leu    hd21       3.206  0.000   1
constraint    82 leu      ha        84 tyr       h       4.687  0.000   1
constraint    82 leu      ha        85 gly       h       3.815  0.000   1
constraint    82 leu     hb1        82 leu    hd13       3.344  0.000  12
constraint    82 leu     hb1        82 leu    hd12       3.344  0.000  11
constraint    82 leu     hb1        82 leu    hd11       3.344  0.000  10
constraint    82 leu     hb1        82 leu    hd23       3.344  0.000   9
constraint    82 leu     hb1        82 leu    hd22       3.344  0.000   8
constraint    82 leu     hb1        82 leu    hd21       3.344  0.000   7
constraint    82 leu     hb2        82 leu    hd13       3.344  0.000   6
constraint    82 leu     hb2        82 leu    hd12       3.344  0.000   5
constraint    82 leu     hb2        82 leu    hd11       3.344  0.000   4
constraint    82 leu     hb2        82 leu    hd23       3.344  0.000   3
constraint    82 leu     hb2        82 leu    hd22       3.344  0.000   2
constraint    82 leu     hb2        82 leu    hd21       3.344  0.000   1
constraint    82 leu     hb1        83 leu       h       3.651  0.000   2
constraint    82 leu     hb2        83 leu       h       3.651  0.000   1
constraint    82 leu      hg        86 lys       h       4.312  0.000   4
constraint    86 lys       h        86 lys     hd1       4.312  0.000   3
constraint    86 lys       h        86 lys     hd2       4.312  0.000   2
constraint   100 ile       h       101 lys     hd2       4.312  0.000   1
constraint    82 leu    hd13        83 leu       h       4.971  0.000   6
constraint    82 leu    hd12        83 leu       h       4.971  0.000   5
constraint    82 leu    hd11        83 leu       h       4.971  0.000   4
constraint    82 leu    hd23        83 leu       h       4.971  0.000   3
constraint    82 leu    hd22        83 leu       h       4.971  0.000   2
constraint    82 leu    hd21        83 leu       h       4.971  0.000   1
constraint    83 leu       h        83 leu    hd13       3.655  0.000   6
constraint    83 leu       h        83 leu    hd12       3.655  0.000   5
constraint    83 leu       h        83 leu    hd11       3.655  0.000   4
constraint    83 leu       h        83 leu    hd23       3.655  0.000   3
constraint    83 leu       h        83 leu    hd22       3.655  0.000   2
constraint    83 leu       h        83 leu    hd21       3.655  0.000   1
constraint    83 leu       h        84 tyr       h       3.498  0.000   1
constraint    83 leu       h        84 tyr      ha       8.000  0.000   1
constraint    83 leu       h        84 tyr     hb1       5.000  0.000   2
constraint    83 leu       h        84 tyr     hb2       5.000  0.000   1
constraint    83 leu       h        85 gly       h       4.835  0.000   1
constraint    83 leu      ha        83 leu    hd13       3.517  0.000   6
constraint    83 leu      ha        83 leu    hd12       3.517  0.000   5
constraint    83 leu      ha        83 leu    hd11       3.517  0.000   4
constraint    83 leu      ha        83 leu    hd23       3.517  0.000   3
constraint    83 leu      ha        83 leu    hd22       3.517  0.000   2
constraint    83 leu      ha        83 leu    hd21       3.517  0.000   1
constraint    83 leu      ha        86 lys       h       4.084  0.000   1
constraint    83 leu      ha        87 val       h       4.919  0.000   1
constraint    83 leu      ha        88 asp       h       4.041  0.000   1
constraint    83 leu      ha        88 asp     hb1       3.580  0.000   2
constraint    83 leu      ha        88 asp     hb2       3.580  0.000   1
constraint    83 leu      ha        92 val    hg13       6.500  0.000   6
constraint    83 leu      ha        92 val    hg12       6.500  0.000   5
constraint    83 leu      ha        92 val    hg11       6.500  0.000   4
constraint    83 leu      ha        92 val    hg23       6.500  0.000   3
constraint    83 leu      ha        92 val    hg22       6.500  0.000   2
constraint    83 leu      ha        92 val    hg21       6.500  0.000   1
constraint    83 leu     hb1        84 tyr       h       3.666  0.000   2
constraint    83 leu     hb2        84 tyr       h       3.666  0.000   1
constraint    83 leu     hb1        86 lys       h       3.229  0.000   9
constraint    83 leu     hb2        86 lys       h       3.229  0.000   8
constraint    86 lys       h        86 lys     hb1       3.229  0.000   7
constraint    86 lys       h        86 lys     hb2       3.229  0.000   6
constraint   100 ile       h       100 ile    hg11       3.229  0.000   5
constraint   100 ile       h       100 ile    hg12       3.229  0.000   4
constraint   100 ile       h       101 lys     hb1       3.229  0.000   3
constraint   100 ile       h       101 lys     hb2       3.229  0.000   2
constraint   100 ile       h       102 lys     hb1       3.229  0.000   1
constraint    83 leu     hb1        92 val    hg13       3.530  0.000  12
constraint    83 leu     hb1        92 val    hg12       3.530  0.000  11
constraint    83 leu     hb1        92 val    hg11       3.530  0.000  10
constraint    83 leu     hb1        92 val    hg23       3.530  0.000   9
constraint    83 leu     hb1        92 val    hg22       3.530  0.000   8
constraint    83 leu     hb1        92 val    hg21       3.530  0.000   7
constraint    83 leu     hb2        92 val    hg13       3.530  0.000   6
constraint    83 leu     hb2        92 val    hg12       3.530  0.000   5
constraint    83 leu     hb2        92 val    hg11       3.530  0.000   4
constraint    83 leu     hb2        92 val    hg23       3.530  0.000   3
constraint    83 leu     hb2        92 val    hg22       3.530  0.000   2
constraint    83 leu     hb2        92 val    hg21       3.530  0.000   1
constraint    83 leu      hg        92 val    hg13       2.884  0.000  12
constraint    83 leu      hg        92 val    hg12       2.884  0.000  11
constraint    83 leu      hg        92 val    hg11       2.884  0.000  10
constraint    83 leu      hg        92 val    hg23       2.884  0.000   9
constraint    83 leu      hg        92 val    hg22       2.884  0.000   8
constraint    83 leu      hg        92 val    hg21       2.884  0.000   7
constraint    92 val      hb        92 val    hg13       2.884  0.000   6
constraint    92 val      hb        92 val    hg12       2.884  0.000   5
constraint    92 val      hb        92 val    hg11       2.884  0.000   4
constraint    92 val      hb        92 val    hg23       2.884  0.000   3
constraint    92 val      hb        92 val    hg22       2.884  0.000   2
constraint    92 val      hb        92 val    hg21       2.884  0.000   1
constraint    83 leu    hd13        91 gly     ha1       3.493  0.000  12
constraint    83 leu    hd12        91 gly     ha1       3.493  0.000  11
constraint    83 leu    hd11        91 gly     ha1       3.493  0.000  10
constraint    83 leu    hd13        91 gly     ha2       3.493  0.000   9
constraint    83 leu    hd12        91 gly     ha2       3.493  0.000   8
constraint    83 leu    hd11        91 gly     ha2       3.493  0.000   7
constraint    83 leu    hd23        91 gly     ha1       3.493  0.000   6
constraint    83 leu    hd22        91 gly     ha1       3.493  0.000   5
constraint    83 leu    hd21        91 gly     ha1       3.493  0.000   4
constraint    83 leu    hd23        91 gly     ha2       3.493  0.000   3
constraint    83 leu    hd22        91 gly     ha2       3.493  0.000   2
constraint    83 leu    hd21        91 gly     ha2       3.493  0.000   1
constraint    84 tyr       h        84 tyr     hb1       3.010  0.000   2
constraint    84 tyr       h        84 tyr     hb2       3.010  0.000   1
constraint    84 tyr       h        84 tyr     hb1       3.427  0.000   1
constraint    84 tyr       h        84 tyr     hb2       3.427  0.000   1
constraint    84 tyr       h        84 tyr     hd1       4.859  0.000   2
constraint    84 tyr       h        84 tyr     hd2       4.859  0.000   1
constraint    84 tyr       h        84 tyr     he1       7.000  0.000   2
constraint    84 tyr       h        84 tyr     he2       7.000  0.000   1
constraint    84 tyr       h        85 gly       h       3.500  0.000   1
constraint    84 tyr       h        86 lys       h       4.791  0.000   1
constraint    84 tyr       h        87 val       h       5.000  0.000   1
constraint    84 tyr       h        88 asp     hb1       4.533  0.000   6
constraint    84 tyr       h        88 asp     hb2       4.533  0.000   5
constraint    88 asp     hb1        90 leu       h       4.533  0.000   4
constraint    88 asp     hb1        91 gly       h       4.533  0.000   3
constraint    88 asp     hb2        90 leu       h       4.533  0.000   2
constraint    88 asp     hb2        91 gly       h       4.533  0.000   1
constraint    84 tyr       h        92 val    hg13       4.048  0.000  12
constraint    84 tyr       h        92 val    hg12       4.048  0.000  11
constraint    84 tyr       h        92 val    hg11       4.048  0.000  10
constraint    84 tyr       h        92 val    hg23       4.048  0.000   9
constraint    84 tyr       h        92 val    hg22       4.048  0.000   8
constraint    84 tyr       h        92 val    hg21       4.048  0.000   7
constraint    91 gly       h        92 val    hg13       4.048  0.000   6
constraint    91 gly       h        92 val    hg12       4.048  0.000   5
constraint    91 gly       h        92 val    hg11       4.048  0.000   4
constraint    91 gly       h        92 val    hg23       4.048  0.000   3
constraint    91 gly       h        92 val    hg22       4.048  0.000   2
constraint    91 gly       h        92 val    hg21       4.048  0.000   1
constraint    84 tyr      ha        84 tyr     hb1       3.477  0.000   2
constraint    84 tyr      ha        84 tyr     hb2       3.477  0.000   1
constraint    84 tyr      ha        84 tyr     hd1       3.170  0.000   2
constraint    84 tyr      ha        84 tyr     hd2       3.170  0.000   1
constraint    84 tyr      ha        84 tyr     he1       4.305  0.000   2
constraint    84 tyr      ha        84 tyr     he2       4.305  0.000   1
constraint    84 tyr      ha        84 tyr     he1       8.000  0.000   2
constraint    84 tyr      ha        84 tyr     he2       8.000  0.000   1
constraint    84 tyr      ha        86 lys       h       4.706  0.000   1
constraint    84 tyr      ha        87 val       h       4.070  0.000   1
constraint    84 tyr      ha        87 val      ha       4.005  0.000   3
constraint    84 tyr      ha        88 asp     hb1       4.005  0.000   2
constraint    84 tyr      ha        88 asp     hb2       4.005  0.000   1
constraint    84 tyr      ha        88 asp       h       4.494  0.000   1
constraint    84 tyr      ha        92 val    hg13       4.033  0.000   6
constraint    84 tyr      ha        92 val    hg12       4.033  0.000   5
constraint    84 tyr      ha        92 val    hg11       4.033  0.000   4
constraint    84 tyr      ha        92 val    hg23       4.033  0.000   3
constraint    84 tyr      ha        92 val    hg22       4.033  0.000   2
constraint    84 tyr      ha        92 val    hg21       4.033  0.000   1
constraint    84 tyr     hb1        84 tyr     he1       4.150  0.000   4
constraint    84 tyr     hb1        84 tyr     he2       4.150  0.000   3
constraint    84 tyr     hb2        84 tyr     he1       4.150  0.000   2
constraint    84 tyr     hb2        84 tyr     he2       4.150  0.000   1
constraint    84 tyr     hb1        85 gly       h       3.338  0.000   2
constraint    84 tyr     hb2        85 gly       h       3.338  0.000   1
constraint    84 tyr     hb1        85 gly       h       3.864  0.000   1
constraint    84 tyr     hb1        86 lys       h       7.000  0.000   2
constraint    84 tyr     hb2        86 lys       h       7.000  0.000   1
constraint    84 tyr     hb1        92 val    hg13       5.000  0.000  12
constraint    84 tyr     hb1        92 val    hg12       5.000  0.000  11
constraint    84 tyr     hb1        92 val    hg11       5.000  0.000  10
constraint    84 tyr     hb1        92 val    hg23       5.000  0.000   9
constraint    84 tyr     hb1        92 val    hg22       5.000  0.000   8
constraint    84 tyr     hb1        92 val    hg21       5.000  0.000   7
constraint    84 tyr     hb2        92 val    hg13       5.000  0.000   6
constraint    84 tyr     hb2        92 val    hg12       5.000  0.000   5
constraint    84 tyr     hb2        92 val    hg11       5.000  0.000   4
constraint    84 tyr     hb2        92 val    hg23       5.000  0.000   3
constraint    84 tyr     hb2        92 val    hg22       5.000  0.000   2
constraint    84 tyr     hb2        92 val    hg21       5.000  0.000   1
constraint    84 tyr     hb2        85 gly       h       3.864  0.000   1
constraint    84 tyr     hd1        85 gly       h       3.867  0.000   2
constraint    84 tyr     hd2        85 gly       h       3.867  0.000   1
constraint    84 tyr     hd1        92 val    hg13       4.478  0.000  12
constraint    84 tyr     hd1        92 val    hg12       4.478  0.000  11
constraint    84 tyr     hd1        92 val    hg11       4.478  0.000  10
constraint    84 tyr     hd1        92 val    hg23       4.478  0.000   9
constraint    84 tyr     hd1        92 val    hg22       4.478  0.000   8
constraint    84 tyr     hd1        92 val    hg21       4.478  0.000   7
constraint    84 tyr     hd2        92 val    hg13       4.478  0.000   6
constraint    84 tyr     hd2        92 val    hg12       4.478  0.000   5
constraint    84 tyr     hd2        92 val    hg11       4.478  0.000   4
constraint    84 tyr     hd2        92 val    hg23       4.478  0.000   3
constraint    84 tyr     hd2        92 val    hg22       4.478  0.000   2
constraint    84 tyr     hd2        92 val    hg21       4.478  0.000   1
constraint    85 gly       h        85 gly     ha1       3.228  0.000   2
constraint    85 gly       h        85 gly     ha2       3.228  0.000   1
constraint    85 gly       h        86 lys       h       3.486  0.000   1
constraint    85 gly       h        87 val       h       4.723  0.000   1
constraint    85 gly     ha1        86 lys       h       3.422  0.000   2
constraint    85 gly     ha2        86 lys       h       3.422  0.000   1
constraint    85 gly     ha1        86 lys       h       3.940  0.000   1
constraint    85 gly     ha1        86 lys     he1       4.645  0.000   8
constraint    85 gly     ha1        86 lys     he2       4.645  0.000   7
constraint    85 gly     ha2        86 lys     he1       4.645  0.000   6
constraint    85 gly     ha2        86 lys     he2       4.645  0.000   5
constraint    98 ala      ha       101 lys     he1       4.645  0.000   4
constraint    98 ala      ha       101 lys     he2       4.645  0.000   3
constraint   101 lys     he1       102 lys      ha       4.645  0.000   2
constraint   101 lys     he2       102 lys      ha       4.645  0.000   1
constraint    85 gly     ha1        87 val       h       4.232  0.000   2
constraint    85 gly     ha2        87 val       h       4.232  0.000   1
constraint    85 gly     ha1        87 val       h       4.832  0.000   1
constraint    85 gly     ha2        86 lys       h       3.940  0.000   1
constraint    85 gly     ha2        87 val       h       4.832  0.000   1
constraint    86 lys       h        86 lys     hb1       3.288  0.000   2
constraint    86 lys       h        86 lys     hb2       3.288  0.000   1
constraint    86 lys       h        86 lys     hg1       3.301  0.000   2
constraint    86 lys       h        86 lys     hg2       3.301  0.000   1
constraint    86 lys       h        86 lys     hg1       3.724  0.000   1
constraint    86 lys       h        86 lys     hg2       3.724  0.000   1
constraint    86 lys       h        87 val       h       3.272  0.000   1
constraint    86 lys       h        87 val    hg13       4.481  0.000   6
constraint    86 lys       h        87 val    hg12       4.481  0.000   5
constraint    86 lys       h        87 val    hg11       4.481  0.000   4
constraint    86 lys       h        87 val    hg23       4.481  0.000   3
constraint    86 lys       h        87 val    hg22       4.481  0.000   2
constraint    86 lys       h        87 val    hg21       4.481  0.000   1
constraint    86 lys       h        88 asp       h       4.490  0.000   1
constraint    86 lys      ha        86 lys     hg1       3.150  0.000   2
constraint    86 lys      ha        86 lys     hg2       3.150  0.000   1
constraint    86 lys      ha        87 val       h       3.691  0.000   1
constraint    87 val       h        87 val      ha       2.802  0.000   1
constraint    87 val       h        87 val      hb       4.131  0.000   1
constraint    87 val       h        87 val    hg13       3.057  0.000   6
constraint    87 val       h        87 val    hg12       3.057  0.000   5
constraint    87 val       h        87 val    hg11       3.057  0.000   4
constraint    87 val       h        87 val    hg23       3.057  0.000   3
constraint    87 val       h        87 val    hg22       3.057  0.000   2
constraint    87 val       h        87 val    hg21       3.057  0.000   1
constraint    87 val       h        87 val    hg13       3.795  0.000   3
constraint    87 val       h        87 val    hg12       3.795  0.000   2
constraint    87 val       h        87 val    hg11       3.795  0.000   1
constraint    87 val       h        87 val    hg23       3.795  0.000   3
constraint    87 val       h        87 val    hg22       3.795  0.000   2
constraint    87 val       h        87 val    hg21       3.795  0.000   1
constraint    87 val       h        88 asp       h       3.417  0.000   1
constraint    87 val       h        88 asp     hb1       4.932  0.000   2
constraint    87 val       h        88 asp     hb2       4.932  0.000   1
constraint    87 val      ha        88 asp       h       3.006  0.000   3
constraint    88 asp       h        88 asp     hb1       3.006  0.000   2
constraint    88 asp       h        88 asp     hb2       3.006  0.000   1
constraint    87 val      hb        87 val    hg13       2.705  0.000   6
constraint    87 val      hb        87 val    hg12       2.705  0.000   5
constraint    87 val      hb        87 val    hg11       2.705  0.000   4
constraint    87 val      hb        87 val    hg23       2.705  0.000   3
constraint    87 val      hb        87 val    hg22       2.705  0.000   2
constraint    87 val      hb        87 val    hg21       2.705  0.000   1
constraint    87 val      hb        88 asp       h       4.675  0.000   1
constraint    87 val    hg13        88 asp       h       3.928  0.000   6
constraint    87 val    hg12        88 asp       h       3.928  0.000   5
constraint    87 val    hg11        88 asp       h       3.928  0.000   4
constraint    87 val    hg23        88 asp       h       3.928  0.000   3
constraint    87 val    hg22        88 asp       h       3.928  0.000   2
constraint    87 val    hg21        88 asp       h       3.928  0.000   1
constraint    88 asp       h        88 asp     hb1       3.355  0.000   2
constraint    88 asp       h        88 asp     hb2       3.355  0.000   1
constraint    88 asp       h        89 gly     ha1       5.000  0.000   4
constraint    88 asp       h        89 gly     ha2       5.000  0.000   3
constraint    88 asp       h        91 gly     ha1       5.000  0.000   2
constraint    88 asp       h        91 gly     ha2       5.000  0.000   1
constraint    88 asp       h        92 val    hg13       4.220  0.000   6
constraint    88 asp       h        92 val    hg12       4.220  0.000   5
constraint    88 asp       h        92 val    hg11       4.220  0.000   4
constraint    88 asp       h        92 val    hg23       4.220  0.000   3
constraint    88 asp       h        92 val    hg22       4.220  0.000   2
constraint    88 asp       h        92 val    hg21       4.220  0.000   1
constraint    88 asp      ha        88 asp     hb1       3.583  0.000   2
constraint    88 asp      ha        88 asp     hb2       3.583  0.000   1
constraint    88 asp      ha        89 gly       h       2.965  0.000   1
constraint    88 asp      ha        89 gly     ha1       4.312  0.000   4
constraint    88 asp      ha        89 gly     ha2       4.312  0.000   3
constraint    88 asp      ha        91 gly     ha1       4.312  0.000   2
constraint    88 asp      ha        91 gly     ha2       4.312  0.000   1
constraint    88 asp      ha        89 gly     ha1       4.420  0.000   2
constraint    88 asp      ha        89 gly     ha2       4.420  0.000   1
constraint    88 asp      ha        90 leu       h       4.066  0.000   2
constraint    88 asp      ha        91 gly       h       4.066  0.000   1
constraint    88 asp      ha        92 val    hg13       6.000  0.000   6
constraint    88 asp      ha        92 val    hg12       6.000  0.000   5
constraint    88 asp      ha        92 val    hg11       6.000  0.000   4
constraint    88 asp      ha        92 val    hg23       6.000  0.000   3
constraint    88 asp      ha        92 val    hg22       6.000  0.000   2
constraint    88 asp      ha        92 val    hg21       6.000  0.000   1
constraint    88 asp     hb1        89 gly       h       4.037  0.000   2
constraint    88 asp     hb2        89 gly       h       4.037  0.000   1
constraint    88 asp     hb1        89 gly       h       4.601  0.000   1
constraint    88 asp     hb1        92 val       h       5.000  0.000   2
constraint    88 asp     hb2        92 val       h       5.000  0.000   1
constraint    88 asp     hb2        89 gly       h       4.601  0.000   1
constraint    89 gly       h        90 leu       h       3.551  0.000   1
constraint    89 gly     ha1        89 gly     ha2       2.850  0.000   1
constraint    89 gly     ha1        90 leu       h       3.842  0.000   4
constraint    89 gly     ha1        91 gly       h       3.842  0.000   3
constraint    89 gly     ha2        90 leu       h       3.842  0.000   2
constraint    89 gly     ha2        91 gly       h       3.842  0.000   1
constraint    89 gly     ha1        90 leu      ha       4.962  0.000   2
constraint    89 gly     ha2        90 leu      ha       4.962  0.000   1
constraint    89 gly     ha1        92 val       h       5.000  0.000   2
constraint    89 gly     ha2        92 val       h       5.000  0.000   1
constraint    89 gly     ha1        92 val    hg13       4.069  0.000  24
constraint    89 gly     ha1        92 val    hg12       4.069  0.000  23
constraint    89 gly     ha1        92 val    hg11       4.069  0.000  22
constraint    89 gly     ha1        92 val    hg23       4.069  0.000  21
constraint    89 gly     ha1        92 val    hg22       4.069  0.000  20
constraint    89 gly     ha1        92 val    hg21       4.069  0.000  19
constraint    89 gly     ha2        92 val    hg13       4.069  0.000  18
constraint    89 gly     ha2        92 val    hg12       4.069  0.000  17
constraint    89 gly     ha2        92 val    hg11       4.069  0.000  16
constraint    89 gly     ha2        92 val    hg23       4.069  0.000  15
constraint    89 gly     ha2        92 val    hg22       4.069  0.000  14
constraint    89 gly     ha2        92 val    hg21       4.069  0.000  13
constraint    91 gly     ha1        92 val    hg13       4.069  0.000  12
constraint    91 gly     ha1        92 val    hg12       4.069  0.000  11
constraint    91 gly     ha1        92 val    hg11       4.069  0.000  10
constraint    91 gly     ha1        92 val    hg23       4.069  0.000   9
constraint    91 gly     ha1        92 val    hg22       4.069  0.000   8
constraint    91 gly     ha1        92 val    hg21       4.069  0.000   7
constraint    91 gly     ha2        92 val    hg13       4.069  0.000   6
constraint    91 gly     ha2        92 val    hg12       4.069  0.000   5
constraint    91 gly     ha2        92 val    hg11       4.069  0.000   4
constraint    91 gly     ha2        92 val    hg23       4.069  0.000   3
constraint    91 gly     ha2        92 val    hg22       4.069  0.000   2
constraint    91 gly     ha2        92 val    hg21       4.069  0.000   1
constraint    89 gly     ha1        92 val    hg13       4.988  0.000  12
constraint    89 gly     ha1        92 val    hg12       4.988  0.000  11
constraint    89 gly     ha1        92 val    hg11       4.988  0.000  10
constraint    89 gly     ha1        92 val    hg23       4.988  0.000   9
constraint    89 gly     ha1        92 val    hg22       4.988  0.000   8
constraint    89 gly     ha1        92 val    hg21       4.988  0.000   7
constraint    89 gly     ha2        92 val    hg13       4.988  0.000   6
constraint    89 gly     ha2        92 val    hg12       4.988  0.000   5
constraint    89 gly     ha2        92 val    hg11       4.988  0.000   4
constraint    89 gly     ha2        92 val    hg23       4.988  0.000   3
constraint    89 gly     ha2        92 val    hg22       4.988  0.000   2
constraint    89 gly     ha2        92 val    hg21       4.988  0.000   1
constraint    89 gly     ha1        93 leu       h       5.000  0.000   2
constraint    89 gly     ha2        93 leu       h       5.000  0.000   1
constraint    89 gly     ha1        93 leu       h       6.000  0.000   2
constraint    89 gly     ha2        93 leu       h       6.000  0.000   1
constraint    90 leu       h        92 val       h       3.462  0.000   2
constraint    91 gly       h        92 val       h       3.462  0.000   1
constraint    90 leu       h        93 leu       h       4.503  0.000   2
constraint    91 gly       h        93 leu       h       4.503  0.000   1
constraint    90 leu      ha        93 leu       h       3.923  0.000   1
constraint    90 leu      ha        93 leu     hb1       3.543  0.000   2
constraint    90 leu      ha        93 leu     hb2       3.543  0.000   1
constraint    90 leu      ha        94 lys       h       4.408  0.000   1
constraint    91 gly       h        91 gly     ha1       3.107  0.000   2
constraint    91 gly       h        91 gly     ha2       3.107  0.000   1
constraint    91 gly       h        94 lys       h       4.964  0.000   1
constraint    91 gly     ha1        92 val       h       3.624  0.000   2
constraint    91 gly     ha2        92 val       h       3.624  0.000   1
constraint    91 gly     ha1        94 lys       h       4.802  0.000   2
constraint    91 gly     ha2        94 lys       h       4.802  0.000   1
constraint    92 val       h        92 val      hb       3.137  0.000   1
constraint    92 val       h        92 val    hg13       2.878  0.000   6
constraint    92 val       h        92 val    hg12       2.878  0.000   5
constraint    92 val       h        92 val    hg11       2.878  0.000   4
constraint    92 val       h        92 val    hg23       2.878  0.000   3
constraint    92 val       h        92 val    hg22       2.878  0.000   2
constraint    92 val       h        92 val    hg21       2.878  0.000   1
constraint    92 val       h        92 val    hg13       3.732  0.000   3
constraint    92 val       h        92 val    hg12       3.732  0.000   2
constraint    92 val       h        92 val    hg11       3.732  0.000   1
constraint    92 val       h        92 val    hg23       3.732  0.000   3
constraint    92 val       h        92 val    hg22       3.732  0.000   2
constraint    92 val       h        92 val    hg21       3.732  0.000   1
constraint    92 val       h        93 leu     hb1       4.890  0.000   2
constraint    92 val       h        93 leu     hb2       4.890  0.000   1
constraint    92 val       h        94 lys       h       4.745  0.000   1
constraint    92 val      ha        93 leu       h       4.007  0.000   1
constraint    92 val      ha        96 ala       h       6.000  0.000   1
constraint    92 val    hg13        93 leu       h       3.584  0.000   6
constraint    92 val    hg12        93 leu       h       3.584  0.000   5
constraint    92 val    hg11        93 leu       h       3.584  0.000   4
constraint    92 val    hg23        93 leu       h       3.584  0.000   3
constraint    92 val    hg22        93 leu       h       3.584  0.000   2
constraint    92 val    hg21        93 leu       h       3.584  0.000   1
constraint    92 val    hg13        93 leu       h       4.024  0.000   3
constraint    92 val    hg12        93 leu       h       4.024  0.000   2
constraint    92 val    hg11        93 leu       h       4.024  0.000   1
constraint    92 val    hg13        95 ala       h       5.000  0.000   6
constraint    92 val    hg12        95 ala       h       5.000  0.000   5
constraint    92 val    hg11        95 ala       h       5.000  0.000   4
constraint    92 val    hg23        95 ala       h       5.000  0.000   3
constraint    92 val    hg22        95 ala       h       5.000  0.000   2
constraint    92 val    hg21        95 ala       h       5.000  0.000   1
constraint    92 val    hg13        95 ala       h       6.000  0.000   6
constraint    92 val    hg12        95 ala       h       6.000  0.000   5
constraint    92 val    hg11        95 ala       h       6.000  0.000   4
constraint    92 val    hg23        95 ala       h       6.000  0.000   3
constraint    92 val    hg22        95 ala       h       6.000  0.000   2
constraint    92 val    hg21        95 ala       h       6.000  0.000   1
constraint    92 val    hg23        93 leu       h       4.024  0.000   3
constraint    92 val    hg22        93 leu       h       4.024  0.000   2
constraint    92 val    hg21        93 leu       h       4.024  0.000   1
constraint    93 leu       h        93 leu     hb1       2.973  0.000   2
constraint    93 leu       h        93 leu     hb2       2.973  0.000   1
constraint    93 leu       h        93 leu     hb1       3.357  0.000   1
constraint    93 leu       h        93 leu     hb2       3.357  0.000   1
constraint    93 leu       h        93 leu    hd13       3.788  0.000   6
constraint    93 leu       h        93 leu    hd12       3.788  0.000   5
constraint    93 leu       h        93 leu    hd11       3.788  0.000   4
constraint    93 leu       h        93 leu    hd23       3.788  0.000   3
constraint    93 leu       h        93 leu    hd22       3.788  0.000   2
constraint    93 leu       h        93 leu    hd21       3.788  0.000   1
constraint    93 leu       h        94 lys       h       3.520  0.000   1
constraint    93 leu       h        94 lys      ha       7.000  0.000   1
constraint    93 leu       h        94 lys      ha       8.000  0.000   1
constraint    93 leu      ha        96 ala       h       3.833  0.000   1
constraint    93 leu      ha        97 val       h       4.604  0.000   1
constraint    93 leu     hb1        94 lys       h       3.692  0.000   2
constraint    93 leu     hb2        94 lys       h       3.692  0.000   1
constraint    94 lys       h        94 lys      ha       3.332  0.000   1
constraint    94 lys       h        94 lys     he1       5.000  0.000   2
constraint    94 lys       h        94 lys     he2       5.000  0.000   1
constraint    94 lys       h        95 ala       h       3.443  0.000   1
constraint    94 lys       h        95 ala      ha       6.000  0.000   1
constraint    94 lys       h        96 ala       h       4.728  0.000   1
constraint    94 lys      ha        94 lys     hb1       3.319  0.000   1
constraint    94 lys      ha        94 lys     hb2       3.154  0.000   1
constraint    94 lys      ha        94 lys     hg1       2.913  0.000   2
constraint    94 lys      ha        94 lys     hg2       2.913  0.000   1
constraint    94 lys      ha        94 lys     hg1       3.414  0.000   1
constraint    94 lys      ha        94 lys     hg2       3.414  0.000   1
constraint    94 lys      ha        94 lys     he1       4.156  0.000   2
constraint    94 lys      ha        94 lys     he2       4.156  0.000   1
constraint    94 lys      ha        94 lys     he1       4.855  0.000   1
constraint    94 lys      ha        94 lys     he2       4.855  0.000   1
constraint    94 lys      ha        95 ala       h       3.904  0.000   1
constraint    94 lys      ha        97 val      hb       3.235  0.000   1
constraint    94 lys      ha        98 ala       h       5.000  0.000   1
constraint    94 lys     hg1        94 lys     hg2       2.693  0.000   1
constraint    94 lys     hg1        94 lys     he1       3.433  0.000   4
constraint    94 lys     hg1        94 lys     he2       3.433  0.000   3
constraint    94 lys     hg2        94 lys     he1       3.433  0.000   2
constraint    94 lys     hg2        94 lys     he2       3.433  0.000   1
constraint    94 lys     hg1        94 lys     he1       4.255  0.000   2
constraint    94 lys     hg1        94 lys     he2       4.255  0.000   1
constraint    94 lys     hg1        94 lys     he1       3.937  0.000   2
constraint    94 lys     hg2        94 lys     he1       3.937  0.000   1
constraint    94 lys     hg1        94 lys     he2       3.937  0.000   2
constraint    94 lys     hg2        94 lys     he2       3.937  0.000   1
constraint    94 lys     hg1        95 ala       h       4.601  0.000   2
constraint    94 lys     hg2        95 ala       h       4.601  0.000   1
constraint    94 lys     hg2        94 lys     he1       4.255  0.000   2
constraint    94 lys     hg2        94 lys     he2       4.255  0.000   1
constraint    94 lys     hd1        94 lys     he1       3.490  0.000   4
constraint    94 lys     hd1        94 lys     he2       3.490  0.000   3
constraint    94 lys     hd2        94 lys     he1       3.490  0.000   2
constraint    94 lys     hd2        94 lys     he2       3.490  0.000   1
constraint    95 ala       h        95 ala     hb3       2.695  0.000   3
constraint    95 ala       h        95 ala     hb2       2.695  0.000   2
constraint    95 ala       h        95 ala     hb1       2.695  0.000   1
constraint    95 ala      ha        97 val       h       4.742  0.000   1
constraint    95 ala      ha        98 ala       h       3.651  0.000   2
constraint    98 ala       h        99 ala      ha       3.651  0.000   1
constraint    95 ala     hb3        96 ala       h       2.663  0.000   6
constraint    95 ala     hb2        96 ala       h       2.663  0.000   5
constraint    95 ala     hb1        96 ala       h       2.663  0.000   4
constraint    96 ala       h        96 ala     hb3       2.663  0.000   3
constraint    96 ala       h        96 ala     hb2       2.663  0.000   2
constraint    96 ala       h        96 ala     hb1       2.663  0.000   1
constraint    96 ala       h        97 val       h       3.332  0.000   1
constraint    96 ala       h        98 ala       h       4.261  0.000   1
constraint    96 ala      ha        97 val       h       3.879  0.000   1
constraint    96 ala      ha        98 ala       h       4.625  0.000   1
constraint    96 ala      ha        99 ala       h       3.732  0.000   1
constraint    96 ala     hb3        97 val      ha       3.983  0.000   3
constraint    96 ala     hb2        97 val      ha       3.983  0.000   2
constraint    96 ala     hb1        97 val      ha       3.983  0.000   1
constraint    97 val       h        97 val      hb       3.000  0.000   1
constraint    97 val       h        97 val    hg13       2.954  0.000   6
constraint    97 val       h        97 val    hg12       2.954  0.000   5
constraint    97 val       h        97 val    hg11       2.954  0.000   4
constraint    97 val       h        97 val    hg23       2.954  0.000   3
constraint    97 val       h        97 val    hg22       2.954  0.000   2
constraint    97 val       h        97 val    hg21       2.954  0.000   1
constraint    97 val       h        98 ala       h       3.331  0.000   1
constraint    97 val       h        99 ala       h       4.709  0.000   1
constraint    97 val      ha        98 ala       h       3.814  0.000   1
constraint    97 val      ha        99 ala       h       4.438  0.000   1
constraint    97 val      ha       100 ile       h       3.763  0.000   1
constraint    97 val      hb        98 ala       h       3.360  0.000   1
constraint    97 val    hg13        98 ala       h       3.833  0.000   6
constraint    97 val    hg12        98 ala       h       3.833  0.000   5
constraint    97 val    hg11        98 ala       h       3.833  0.000   4
constraint    97 val    hg23        98 ala       h       3.833  0.000   3
constraint    97 val    hg22        98 ala       h       3.833  0.000   2
constraint    97 val    hg21        98 ala       h       3.833  0.000   1
constraint    98 ala       h        99 ala       h       3.269  0.000   1
constraint    98 ala     hb3        99 ala       h       2.650  0.000   6
constraint    98 ala     hb2        99 ala       h       2.650  0.000   5
constraint    98 ala     hb1        99 ala       h       2.650  0.000   4
constraint    99 ala       h        99 ala     hb3       2.650  0.000   3
constraint    99 ala       h        99 ala     hb2       2.650  0.000   2
constraint    99 ala       h        99 ala     hb1       2.650  0.000   1
constraint    99 ala      ha       100 ile       h       4.032  0.000   1
constraint    99 ala     hb3       100 ile       h       3.333  0.000   3
constraint    99 ala     hb2       100 ile       h       3.333  0.000   2
constraint    99 ala     hb1       100 ile       h       3.333  0.000   1
constraint    99 ala     hb3       100 ile      ha       3.252  0.000   6
constraint    99 ala     hb2       100 ile      ha       3.252  0.000   5
constraint    99 ala     hb1       100 ile      ha       3.252  0.000   4
constraint   100 ile      ha       103 ala     hb3       3.252  0.000   3
constraint   100 ile      ha       103 ala     hb2       3.252  0.000   2
constraint   100 ile      ha       103 ala     hb1       3.252  0.000   1
constraint   100 ile       h       100 ile      hb       3.070  0.000   1
constraint   100 ile       h       100 ile    hg11       3.254  0.000   5
constraint   100 ile       h       100 ile    hg12       3.254  0.000   4
constraint   100 ile       h       100 ile     hd3       3.254  0.000   3
constraint   100 ile       h       100 ile     hd2       3.254  0.000   2
constraint   100 ile       h       100 ile     hd1       3.254  0.000   1
constraint   100 ile       h       100 ile    hg23       3.434  0.000   3
constraint   100 ile       h       100 ile    hg22       3.434  0.000   2
constraint   100 ile       h       100 ile    hg21       3.434  0.000   1
constraint   100 ile       h       101 lys       h       3.429  0.000   1
constraint   100 ile      ha       101 lys       h       3.415  0.000   1
constraint   100 ile      ha       103 ala       h       4.140  0.000   1
constraint   100 ile      ha       104 ala       h       6.000  0.000   1
constraint   100 ile    hg11       101 lys       h       3.871  0.000   5
constraint   100 ile    hg12       101 lys       h       3.871  0.000   4
constraint   100 ile     hd3       101 lys       h       3.871  0.000   3
constraint   100 ile     hd2       101 lys       h       3.871  0.000   2
constraint   100 ile     hd1       101 lys       h       3.871  0.000   1
constraint   100 ile    hg11       103 ala       h       3.735  0.000   6
constraint   100 ile    hg12       103 ala       h       3.735  0.000   5
constraint   101 lys     hb1       103 ala       h       3.735  0.000   4
constraint   101 lys     hb2       103 ala       h       3.735  0.000   3
constraint   102 lys     hb1       103 ala       h       3.735  0.000   2
constraint   102 lys     hb2       103 ala       h       3.735  0.000   1
constraint   100 ile    hg23       101 lys       h       3.384  0.000   3
constraint   100 ile    hg22       101 lys       h       3.384  0.000   2
constraint   100 ile    hg21       101 lys       h       3.384  0.000   1
constraint   101 lys       h       101 lys      ha       3.216  0.000   1
constraint   101 lys       h       103 ala       h       4.651  0.000   1
constraint   101 lys      ha       101 lys     hd1       3.988  0.000   2
constraint   101 lys      ha       101 lys     hd2       3.988  0.000   1
constraint   101 lys      ha       101 lys     he1       4.616  0.000   2
constraint   101 lys      ha       101 lys     he2       4.616  0.000   1
constraint   101 lys      ha       104 ala       h       3.804  0.000   1
constraint   101 lys      ha       104 ala       h       4.073  0.000   1
constraint   102 lys       h       103 ala       h       3.328  0.000   1
constraint   102 lys      ha       102 lys     he1       4.695  0.000   2
constraint   102 lys      ha       102 lys     he2       4.695  0.000   1
constraint   102 lys     hb1       103 ala       h       3.579  0.000   2
constraint   102 lys     hb2       103 ala       h       3.579  0.000   1
constraint   104 ala      ha       104 ala     hb3       2.764  0.000   3
constraint   104 ala      ha       104 ala     hb2       2.764  0.000   2
constraint   104 ala      ha       104 ala     hb1       2.764  0.000   1
constraint   105 ala      ha       105 ala     hb3       2.766  0.000   3
constraint   105 ala      ha       105 ala     hb2       2.766  0.000   2
constraint   105 ala      ha       105 ala     hb1       2.766  0.000   1
constraint   106 asn       h       106 asn     hb1       3.987  0.000   2
constraint   106 asn       h       106 asn     hb2       3.987  0.000   1
constraint   106 asn       h       106 asn     hb1       4.848  0.000   1
constraint   106 asn       h       106 asn     hb2       4.848  0.000   1
constraint   106 asn      ha       106 asn     hb1       3.167  0.000   2
constraint   106 asn      ha       106 asn     hb2       3.167  0.000   1
constraint   106 asn     hb1       106 asn    hd21       5.000  0.000   4
constraint   106 asn     hb1       106 asn    hd22       5.000  0.000   3
constraint   106 asn     hb2       106 asn    hd21       5.000  0.000   2
constraint   106 asn     hb2       106 asn    hd22       5.000  0.000   1
constraint     4 lys       h      33 pro       o        2.500  1.500  1
constraint     4 lys       n      33 pro       o        3.500  2.500  1
constraint     4 lys       o      35 ile       h        2.500  1.500  1
constraint     4 lys       o      35 ile       n        3.500  2.500  1
constraint     5 his       o      53 val       h        2.500  1.500  1
constraint     5 his       o      53 val       n        3.500  2.500  1
constraint     6 ile       h      35 ile       o        2.500  1.500  1
constraint     6 ile       n      35 ile       o        3.500  2.500  1
constraint     6 ile       o      37 glu       h        2.500  1.500  1
constraint     6 ile       o      37 glu       n        3.500  2.500  1
constraint     7 tyr       h      53 val       o        2.500  1.500  1
constraint     7 tyr       n      53 val       o        3.500  2.500  1
constraint     7 tyr       o      55 leu       h        2.500  1.500  1
constraint     7 tyr       o      55 leu       n        3.500  2.500  1
constraint     8 leu       h      37 glu       o        2.500  1.500  1
constraint     8 leu       n      37 glu       o        3.500  2.500  1
constraint     8 leu       o      39 phe       h        2.500  1.500  1
constraint     8 leu       o      39 phe       n        3.500  2.500  1
constraint     9 phe       h      55 leu       o        2.500  1.500  1
constraint     9 phe       n      55 leu       o        3.500  2.500  1
constraint     9 phe       o      57 gly       h        2.500  1.500  1
constraint     9 phe       o      57 gly       n        3.500  2.500  1
constraint    10 ser       h      39 phe       o        2.500  1.500  1
constraint    10 ser       n      39 phe       o        3.500  2.500  1
constraint    16 thr       o      20 val       h        2.500  1.500  1
constraint    16 thr       o      20 val       n        3.500  2.500  1
constraint    17 ser       o      21 ser       h        2.500  1.500  1
constraint    17 ser       o      21 ser       n        3.500  2.500  1
constraint    18 leu       o      22 lys       h        2.500  1.500  1
constraint    18 leu       o      22 lys       n        3.500  2.500  1
constraint    19 leu       o      23 met       h        2.500  1.500  1
constraint    19 leu       o      23 met       n        3.500  2.500  1
constraint    20 val       o      24 arg       h        2.500  1.500  1
constraint    20 val       o      24 arg       n        3.500  2.500  1
constraint    21 ser       o      25 ala       h        2.500  1.500  1
constraint    21 ser       o      25 ala       n        3.500  2.500  1
constraint    22 lys       o      26 gln       h        2.500  1.500  1
constraint    22 lys       o      26 gln       n        3.500  2.500  1
constraint    23 met       o      27 ala       h        2.500  1.500  1
constraint    23 met       o      27 ala       n        3.500  2.500  1
constraint    24 arg       o      28 glu       h        2.500  1.500  1
constraint    24 arg       o      28 glu       n        3.500  2.500  1
constraint    25 ala       o      29 lys       h        2.500  1.500  1
constraint    25 ala       o      29 lys       n        3.500  2.500  1
constraint    43 leu       o      47 lys       h        2.500  1.500  1
constraint    43 leu       o      47 lys       n        3.500  2.500  1
constraint    44 ala       o      48 gly       h        2.500  1.500  1
constraint    44 ala       o      48 gly       n        3.500  2.500  1
constraint    45 gly       o      49 gln       h        2.500  1.500  1
constraint    45 gly       o      49 gln       n        3.500  2.500  1
constraint    46 glu       o      50 asn       h        2.500  1.500  1
constraint    46 glu       o      50 asn       n        3.500  2.500  1
constraint    47 lys       o      51 ala       h        2.500  1.500  1
constraint    47 lys       o      51 ala       n        3.500  2.500  1
constraint    54 val       h      75 pro       o        2.500  1.500  1
constraint    54 val       n      75 pro       o        3.500  2.500  1
constraint    54 val       o      77 glu       h        2.500  1.500  1
constraint    54 val       o      77 glu       n        3.500  2.500  1
constraint    56 leu       h      77 glu       o        2.500  1.500  1
constraint    56 leu       n      77 glu       o        3.500  2.500  1
constraint    56 leu       o      79 ile       h        2.500  1.500  1
constraint    56 leu       o      79 ile       n        3.500  2.500  1
constraint    63 met       o      67 ile       h        2.500  1.500  1
constraint    63 met       o      67 ile       n        3.500  2.500  1
constraint    64 leu       o      68 gln       h        2.500  1.500  1
constraint    64 leu       o      68 gln       n        3.500  2.500  1
constraint    65 pro       o      69 arg       h        2.500  1.500  1
constraint    65 pro       o      69 arg       n        3.500  2.500  1
constraint    66 glu       o      70 leu       h        2.500  1.500  1
constraint    66 glu       o      70 leu       n        3.500  2.500  1
constraint    80 asp       o      84 tyr       h        2.500  1.500  1
constraint    80 asp       o      84 tyr       n        3.500  2.500  1
constraint    81 ser       o      85 gly       h        2.500  1.500  1
constraint    81 ser       o      85 gly       n        3.500  2.500  1
constraint    82 leu       o      86 lys       h        2.500  1.500  1
constraint    82 leu       o      86 lys       n        3.500  2.500  1
constraint    83 leu       o      87 val       h        2.500  1.500  1
constraint    83 leu       o      87 val       n        3.500  2.500  1
constraint    90 leu       o      94 lys       h        2.500  1.500  1
constraint    90 leu       o      94 lys       n        3.500  2.500  1
constraint    91 gly       o      95 ala       h        2.500  1.500  1
constraint    91 gly       o      95 ala       n        3.500  2.500  1
constraint    92 val       o      96 ala       h        2.500  1.500  1
constraint    92 val       o      96 ala       n        3.500  2.500  1
constraint    93 leu       o      97 val       h        2.500  1.500  1
constraint    93 leu       o      97 val       n        3.500  2.500  1
constraint    94 lys       o      98 ala       h        2.500  1.500  1
constraint    94 lys       o      98 ala       n        3.500  2.500  1
constraint    95 ala       o      99 ala       h        2.500  1.500  1
constraint    95 ala       o      99 ala       n        3.500  2.500  1
constraint    96 ala       o      100 ile       h        2.500  1.500  1
constraint    96 ala       o      100 ile       n        3.500  2.500  1
constraint    97 val       o      101 lys       h        2.500  1.500  1
constraint    97 val       o      101 lys       n        3.500  2.500  1
constraint    98 ala       o      102 lys       h        2.500  1.500  1
constraint    98 ala       o      102 lys       n        3.500  2.500  1
constraint    99 ala       o      103 ala       h        2.500  1.500  1
constraint    99 ala       o      103 ala       n        3.500  2.500  1
constraint    24 arg      ne       36 ile       o       3.500  2.500  1
constraint    24 arg      he       36 ile       o       2.500  1.500  1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1   5.884  17.191  11.488
    2    HA   MET   1           HA       MET   1   4.273  14.928  10.770
    3   1HB   MET   1           HB1      MET   1   4.628  15.661   8.183
    4   2HB   MET   1           HB2      MET   1   3.182  16.167   9.140
    5   1HG   MET   1           HG1      MET   1   3.737  18.318   8.965
    6   2HG   MET   1           HG2      MET   1   5.369  18.044   9.600
    7   1HE   MET   1           HE2      MET   1   4.528  20.318   7.641
    8   2HE   MET   1           HE3      MET   1   6.267  20.172   7.850
    9   3HE   MET   1           HE1      MET   1   5.570  20.212   6.212
   10    H    GLU   2           H        GLU   2   6.488  15.979   8.299
   11    HA   GLU   2           HA       GLU   2   8.656  15.712   7.822
   12   1HB   GLU   2           HB1      GLU   2   8.617  15.678  10.753
   13   2HB   GLU   2           HB2      GLU   2   9.793  14.491  10.194
   14   1HG   GLU   2           HG1      GLU   2  11.139  16.113   9.193
   15   2HG   GLU   2           HG2      GLU   2   9.758  17.220   8.917
   16    H    LYS   3           H        LYS   3   6.405  13.325   8.484
   17    HA   LYS   3           HA       LYS   3   7.602  11.686   6.544
   18   1HB   LYS   3           HB1      LYS   3   8.847  10.218   7.578
   19   2HB   LYS   3           HB2      LYS   3   8.582  11.004   9.130
   20   1HG   LYS   3           HG1      LYS   3   6.495   9.556   9.451
   21   2HG   LYS   3           HG2      LYS   3   6.927   8.724   7.916
   22   1HD   LYS   3           HD1      LYS   3   7.591   7.629  10.129
   23   2HD   LYS   3           HD2      LYS   3   8.875   7.781   8.908
   24   1HE   LYS   3           HE1      LYS   3   9.921   9.613   9.960
   25   2HE   LYS   3           HE2      LYS   3   8.475  10.022  10.926
   26   1HZ   LYS   3           HZ1      LYS   3   8.754   7.886  12.091
   27   2HZ   LYS   3           HZ2      LYS   3  10.250   7.680  11.306
   28   3HZ   LYS   3           HZ3      LYS   3  10.055   8.981  12.353
   29    H    LYS   4           H        LYS   4   6.262   9.910   5.837
   30    HA   LYS   4           HA       LYS   4   3.388  10.132   6.679
   31   1HB   LYS   4           HB1      LYS   4   2.548  10.233   4.582
   32   2HB   LYS   4           HB2      LYS   4   3.789  11.478   4.590
   33   1HG   LYS   4           HG1      LYS   4   4.814   8.840   3.760
   34   2HG   LYS   4           HG2      LYS   4   3.580   9.496   2.672
   35   1HD   LYS   4           HD1      LYS   4   5.718  11.347   3.543
   36   2HD   LYS   4           HD2      LYS   4   6.147  10.108   2.341
   37   1HE   LYS   4           HE1      LYS   4   4.498  10.944   0.779
   38   2HE   LYS   4           HE2      LYS   4   3.571  11.758   2.064
   39   1HZ   LYS   4           HZ1      LYS   4   5.486  13.245   2.329
   40   2HZ   LYS   4           HZ2      LYS   4   6.183  12.550   0.944
   41   3HZ   LYS   4           HZ3      LYS   4   4.712  13.395   0.801
   42    H    HIS   5           H        HIS   5   2.271   8.390   4.925
   43    HA   HIS   5           HA       HIS   5   3.131   5.872   6.244
   44   1HB   HIS   5           HB1      HIS   5   0.587   7.427   6.534
   45   2HB   HIS   5           HB2      HIS   5   0.627   5.688   6.853
   46    HD1  HIS   5           HD1      HIS   5  -0.048   7.105   9.391
   47    HD2  HIS   5           HD2      HIS   5   3.889   7.181   7.971
   48    HE1  HIS   5           HE1      HIS   5   1.551   7.821  11.369
   49    H    ILE   6           H        ILE   6   3.680   4.859   4.339
   50    HA   ILE   6           HA       ILE   6   1.866   4.438   2.110
   51    HB   ILE   6           HB       ILE   6   4.634   3.531   2.717
   52   1HG1  ILE   6          1HG1      ILE   6   3.514   4.743   0.156
   53   2HG1  ILE   6          2HG1      ILE   6   4.000   5.779   1.534
   54   1HG2  ILE   6          3HG2      ILE   6   2.793   1.870   1.267
   55   2HG2  ILE   6          1HG2      ILE   6   4.193   2.426   0.350
   56   3HG2  ILE   6          2HG2      ILE   6   4.409   1.587   1.912
   57   1HD1  ILE   6           HD3      ILE   6   6.315   4.597   1.267
   58   2HD1  ILE   6           HD1      ILE   6   5.595   4.083  -0.292
   59   3HD1  ILE   6           HD2      ILE   6   5.938   5.778   0.093
   60    H    TYR   7           H        TYR   7   0.054   3.380   2.607
   61    HA   TYR   7           HA       TYR   7   0.005   1.201   4.631
   62   1HB   TYR   7           HB1      TYR   7  -1.922   3.394   3.873
   63   2HB   TYR   7           HB2      TYR   7  -2.579   1.829   4.484
   64    HD1  TYR   7           HD1      TYR   7   0.573   2.328   6.023
   65    HD2  TYR   7           HD2      TYR   7  -3.591   3.254   6.240
   66    HE1  TYR   7           HE1      TYR   7   0.998   3.621   8.158
   67    HE2  TYR   7           HE2      TYR   7  -3.251   4.560   8.353
   68    HH   TYR   7           HH       TYR   7  -1.837   5.005   9.969
   69    H    LEU   8           H        LEU   8  -0.962  -0.715   4.218
   70    HA   LEU   8           HA       LEU   8  -1.490  -1.401   1.411
   71   1HB   LEU   8           HB1      LEU   8   0.546  -2.266   3.440
   72   2HB   LEU   8           HB2      LEU   8  -0.143  -3.613   2.507
   73    HG   LEU   8           HG       LEU   8   0.610  -1.836   0.551
   74   1HD1  LEU   8          1HD1      LEU   8   2.130  -1.090   2.790
   75   2HD1  LEU   8          2HD1      LEU   8   3.129  -1.447   1.376
   76   3HD1  LEU   8          3HD1      LEU   8   1.842  -0.289   1.205
   77   1HD2  LEU   8          2HD2      LEU   8   2.156  -4.136   1.792
   78   2HD2  LEU   8          3HD2      LEU   8   1.113  -4.280   0.396
   79   3HD2  LEU   8          1HD2      LEU   8   2.630  -3.368   0.281
   80    H    PHE   9           H        PHE   9  -3.246  -2.877   1.173
   81    HA   PHE   9           HA       PHE   9  -4.707  -3.727   3.629
   82   1HB   PHE   9           HB1      PHE   9  -5.775  -2.245   1.207
   83   2HB   PHE   9           HB2      PHE   9  -6.777  -2.913   2.558
   84    HD1  PHE   9           HD2      PHE   9  -5.575  -2.266   4.922
   85    HD2  PHE   9           HD1      PHE   9  -5.498   0.047   1.273
   86    HE1  PHE   9           HE2      PHE   9  -5.689  -0.117   6.219
   87    HE2  PHE   9           HE1      PHE   9  -4.741   2.035   2.587
   88    HZ   PHE   9           HZ       PHE   9  -4.924   1.978   5.101
   89    H    SER  10           H        SER  10  -5.059  -6.104   3.455
   90    HA   SER  10           HA       SER  10  -3.226  -7.194   1.381
   91   1HB   SER  10           HB1      SER  10  -3.071  -7.395   3.851
   92   2HB   SER  10           HB2      SER  10  -4.437  -8.558   3.805
   93    HG   SER  10           HG       SER  10  -2.262  -9.520   3.633
   94    H    SER  11           H        SER  11  -3.548  -8.763  -0.073
   95    HA   SER  11           HA       SER  11  -6.184  -9.088  -1.204
   96   1HB   SER  11           HB1      SER  11  -4.847  -9.496  -3.078
   97   2HB   SER  11           HB2      SER  11  -3.529  -8.902  -2.015
   98    HG   SER  11           HG       SER  11  -3.104 -10.995  -3.027
   99    H    ALA  12           H        ALA  12  -3.582 -11.252  -0.075
  100    HA   ALA  12           HA       ALA  12  -5.503 -13.362   0.604
  101   1HB   ALA  12           HB2      ALA  12  -2.745 -13.638  -0.636
  102   2HB   ALA  12           HB3      ALA  12  -3.456 -14.934   0.315
  103   3HB   ALA  12           HB1      ALA  12  -4.283 -14.327  -1.145
  104    H    GLY  13           H        GLY  13  -3.108 -11.177   1.820
  105   1HA   GLY  13           HA1      GLY  13  -2.630 -11.269   4.244
  106   2HA   GLY  13           HA2      GLY  13  -2.255 -12.991   4.021
  107    H    MET  14           H        MET  14  -0.396 -13.560   2.637
  108    HA   MET  14           HA       MET  14   1.849 -11.792   3.383
  109   1HB   MET  14           HB1      MET  14   1.810 -14.839   3.200
  110   2HB   MET  14           HB2      MET  14   3.117 -13.848   3.883
  111   1HG   MET  14           HG1      MET  14   1.184 -13.049   5.556
  112   2HG   MET  14           HG2      MET  14   0.376 -14.549   5.032
  113   1HE   MET  14           HE3      MET  14   0.657 -14.143   7.828
  114   2HE   MET  14           HE1      MET  14   1.927 -15.086   8.637
  115   3HE   MET  14           HE2      MET  14   2.214 -13.412   8.066
  116    H    SER  15           H        SER  15   0.704 -11.406   0.917
  117    HA   SER  15           HA       SER  15   3.197 -11.761  -0.637
  118   1HB   SER  15           HB1      SER  15   0.338 -11.457  -1.588
  119   2HB   SER  15           HB2      SER  15   1.718 -11.012  -2.627
  120    HG   SER  15           HG       SER  15   0.953 -13.222  -2.904
  121    H    THR  16           H        THR  16   2.285  -9.980   1.609
  122    HA   THR  16           HA       THR  16   2.768  -7.311   0.462
  123    HB   THR  16           HB       THR  16   0.143  -7.934   1.014
  124    HG1  THR  16           HG1      THR  16  -0.152  -5.615   0.910
  125   1HG2  THR  16          2HG2      THR  16   1.124  -6.998   3.677
  126   2HG2  THR  16          3HG2      THR  16  -0.395  -6.454   3.015
  127   3HG2  THR  16          1HG2      THR  16  -0.088  -8.208   3.113
  128    H    SER  17           H        SER  17   2.191  -9.175   3.558
  129    HA   SER  17           HA       SER  17   2.803  -7.200   5.331
  130   1HB   SER  17           HB1      SER  17   1.643  -9.400   5.766
  131   2HB   SER  17           HB2      SER  17   3.225 -10.205   5.723
  132    HG   SER  17           HG       SER  17   2.459  -9.583   7.910
  133    H    LEU  18           H        LEU  18   5.003  -9.347   3.543
  134    HA   LEU  18           HA       LEU  18   7.366  -8.450   5.030
  135   1HB   LEU  18           HB1      LEU  18   6.728 -10.908   4.503
  136   2HB   LEU  18           HB2      LEU  18   6.850 -10.562   2.778
  137    HG   LEU  18           HG       LEU  18   8.958 -11.187   4.795
  138   1HD1  LEU  18          2HD1      LEU  18   8.307 -13.006   3.534
  139   2HD1  LEU  18          3HD1      LEU  18   8.624 -12.151   2.066
  140   3HD1  LEU  18          1HD1      LEU  18   9.949 -12.482   3.237
  141   1HD2  LEU  18          2HD2      LEU  18   9.504  -8.839   3.538
  142   2HD2  LEU  18          3HD2      LEU  18  10.750 -10.043   3.855
  143   3HD2  LEU  18          1HD2      LEU  18  10.006  -9.983   2.273
  144    H    LEU  19           H        LEU  19   5.454  -7.648   2.248
  145    HA   LEU  19           HA       LEU  19   7.596  -6.679   0.508
  146   1HB   LEU  19           HB1      LEU  19   5.803  -7.083  -0.953
  147   2HB   LEU  19           HB2      LEU  19   4.716  -7.437   0.425
  148    HG   LEU  19           HG       LEU  19   4.092  -5.025   0.388
  149   1HD1  LEU  19          2HD1      LEU  19   6.399  -4.471  -1.114
  150   2HD1  LEU  19          3HD1      LEU  19   4.948  -4.150  -2.038
  151   3HD1  LEU  19          1HD1      LEU  19   5.164  -3.438  -0.388
  152   1HD2  LEU  19          3HD2      LEU  19   3.431  -7.048  -1.490
  153   2HD2  LEU  19          1HD2      LEU  19   2.494  -5.617  -1.085
  154   3HD2  LEU  19          2HD2      LEU  19   3.660  -5.576  -2.420
  155    H    VAL  20           H        VAL  20   5.142  -5.430   2.890
  156    HA   VAL  20           HA       VAL  20   5.789  -2.654   2.922
  157    HB   VAL  20           HB       VAL  20   4.806  -2.861   5.100
  158   1HG1  VAL  20          3HG1      VAL  20   3.563  -2.909   2.594
  159   2HG1  VAL  20          1HG1      VAL  20   2.732  -4.035   3.647
  160   3HG1  VAL  20          2HG1      VAL  20   2.925  -2.307   4.119
  161   1HG2  VAL  20          2HG2      VAL  20   5.282  -5.348   5.591
  162   2HG2  VAL  20          3HG2      VAL  20   3.645  -4.785   5.870
  163   3HG2  VAL  20          1HG2      VAL  20   4.021  -5.667   4.367
  164    H    SER  21           H        SER  21   6.954  -5.571   4.727
  165    HA   SER  21           HA       SER  21   8.791  -4.048   6.293
  166   1HB   SER  21           HB1      SER  21   7.805  -6.930   6.103
  167   2HB   SER  21           HB2      SER  21   9.400  -6.652   6.890
  168    HG   SER  21           HG       SER  21   7.478  -6.543   8.305
  169    H    LYS  22           H        LYS  22   8.971  -5.069   3.074
  170    HA   LYS  22           HA       LYS  22  11.871  -5.099   3.126
  171   1HB   LYS  22           HB1      LYS  22  11.343  -6.805   1.682
  172   2HB   LYS  22           HB2      LYS  22   9.857  -5.988   1.146
  173    HG   LYS  22           HG1      LYS  22  11.066  -4.631  -0.401
  174   2HG   LYS  22           HG2      LYS  22  12.472  -4.525   0.648
  175   1HD   LYS  22           HD1      LYS  22  13.258  -5.538  -1.216
  176   2HD   LYS  22           HD2      LYS  22  13.110  -6.886  -0.056
  177   1HE   LYS  22           HE1      LYS  22  10.781  -7.367  -1.203
  178   2HE   LYS  22           HE2      LYS  22  11.384  -6.336  -2.536
  179   1HZ   LYS  22           HZ1      LYS  22  13.355  -7.704  -2.613
  180   2HZ   LYS  22           HZ2      LYS  22  12.642  -8.768  -1.445
  181   3HZ   LYS  22           HZ3      LYS  22  11.926  -8.564  -2.987
  182    H    MET  23           H        MET  23   9.131  -3.729   1.380
  183    HA   MET  23           HA       MET  23   9.961  -1.444   0.282
  184   1HB   MET  23           HB1      MET  23   7.412  -2.216   1.711
  185   2HB   MET  23           HB2      MET  23   7.636  -0.460   1.479
  186   1HG   MET  23           HG1      MET  23   8.280  -1.386  -0.987
  187   2HG   MET  23           HG2      MET  23   7.100  -2.627  -0.510
  188   1HE   MET  23           HE2      MET  23   7.887   1.109  -0.399
  189   2HE   MET  23           HE3      MET  23   6.431   1.926  -0.875
  190   3HE   MET  23           HE1      MET  23   6.598   1.305   0.775
  191    H    ARG  24           H        ARG  24   9.460  -2.193   3.709
  192    HA   ARG  24           HA       ARG  24  10.255   0.246   4.936
  193   1HB   ARG  24           HB1      ARG  24   9.931  -2.590   5.805
  194   2HB   ARG  24           HB2      ARG  24  10.885  -1.512   6.852
  195   1HG   ARG  24           HG1      ARG  24   9.186  -0.036   7.227
  196   2HG   ARG  24           HG2      ARG  24   8.148  -0.609   5.866
  197   1HD   ARG  24           HD1      ARG  24   7.542  -2.624   7.105
  198   2HD   ARG  24           HD2      ARG  24   8.828  -2.301   8.343
  199    HE   ARG  24           HE       ARG  24   6.939  -0.151   8.109
  200   1HH1  ARG  24          2HH1      ARG  24   7.658  -3.101   9.672
  201   2HH1  ARG  24          1HH1      ARG  24   6.468  -2.711  11.098
  202   1HH2  ARG  24          2HH2      ARG  24   5.493   0.115   9.678
  203   2HH2  ARG  24          1HH2      ARG  24   5.304  -1.231  10.983
  204    H    ALA  25           H        ALA  25  12.135  -2.847   4.526
  205    HA   ALA  25           HA       ALA  25  14.696  -2.251   4.912
  206   1HB   ALA  25           HB1      ALA  25  13.661  -4.301   3.617
  207   2HB   ALA  25           HB2      ALA  25  14.015  -3.353   2.171
  208   3HB   ALA  25           HB3      ALA  25  15.323  -3.786   3.290
  209    H    GLN  26           H        GLN  26  13.484  -1.616   1.553
  210    HA   GLN  26           HA       GLN  26  14.729   0.224   0.369
  211   1HB   GLN  26           HB1      GLN  26  11.916  -0.347   1.097
  212   2HB   GLN  26           HB2      GLN  26  12.140   1.405   0.740
  213    HG   GLN  26           HG2      GLN  26  12.114   0.937  -1.534
  214    HG1  GLN  26           HG1      GLN  26  11.298  -0.543  -1.000
  215   1HE2  GLN  26          1HE2      GLN  26  14.319  -2.551  -1.445
  216   2HE2  GLN  26          2HE2      GLN  26  13.092  -2.296  -0.170
  217    H    ALA  27           H        ALA  27  12.359   1.307   2.832
  218    HA   ALA  27           HA       ALA  27  12.862   4.011   2.501
  219   1HB   ALA  27           HB1      ALA  27  10.910   2.632   3.710
  220   2HB   ALA  27           HB2      ALA  27  11.735   3.228   5.133
  221   3HB   ALA  27           HB3      ALA  27  11.172   4.361   3.901
  222    H    GLU  28           H        GLU  28  14.536   1.731   4.592
  223    HA   GLU  28           HA       GLU  28  15.902   3.901   6.103
  224   1HB   GLU  28           HB1      GLU  28  15.229   1.132   7.049
  225   2HB   GLU  28           HB2      GLU  28  15.918   2.487   8.004
  226   1HG   GLU  28           HG1      GLU  28  13.692   3.605   6.755
  227   2HG   GLU  28           HG2      GLU  28  13.160   1.976   7.215
  228    H    LYS  29           H        LYS  29  16.284   0.807   4.204
  229    HA   LYS  29           HA       LYS  29  19.092   0.741   3.754
  230   1HB   LYS  29           HB1      LYS  29  17.694  -0.916   2.871
  231   2HB   LYS  29           HB2      LYS  29  16.690   0.317   2.076
  232   1HG   LYS  29           HG1      LYS  29  18.141   0.882   0.462
  233   2HG   LYS  29           HG2      LYS  29  19.555   0.201   1.275
  234   1HD   LYS  29           HD1      LYS  29  19.230  -1.427  -0.394
  235   2HD   LYS  29           HD2      LYS  29  18.179  -2.112   0.855
  236   1HE   LYS  29           HE1      LYS  29  16.241  -1.442  -0.157
  237   2HE   LYS  29           HE2      LYS  29  16.919   0.073  -0.760
  238   1HZ   LYS  29           HZ1      LYS  29  18.190  -1.322  -2.370
  239   2HZ   LYS  29           HZ2      LYS  29  17.293  -2.662  -1.848
  240   3HZ   LYS  29           HZ3      LYS  29  16.471  -1.387  -2.583
  241    H    TYR  30           H        TYR  30  16.642   3.130   3.164
  242    HA   TYR  30           HA       TYR  30  18.440   4.971   1.857
  243   1HB   TYR  30           HB1      TYR  30  15.462   4.841   1.935
  244   2HB   TYR  30           HB2      TYR  30  16.426   5.942   0.916
  245    HD1  TYR  30           HD1      TYR  30  18.561   3.554   0.475
  246    HD2  TYR  30           HD2      TYR  30  14.282   4.005  -0.024
  247    HE1  TYR  30           HE1      TYR  30  18.667   2.120  -1.607
  248    HE2  TYR  30           HE2      TYR  30  14.347   2.021  -1.600
  249    HH   TYR  30           HH       TYR  30  15.593   0.867  -3.029
  250    H    GLU  31           H        GLU  31  16.268   7.044   2.528
  251    HA   GLU  31           HA       GLU  31  16.019   7.034   5.418
  252   1HB   GLU  31           HB1      GLU  31  16.274   9.572   5.224
  253   2HB   GLU  31           HB2      GLU  31  17.751   8.551   5.161
  254   1HG   GLU  31           HG1      GLU  31  18.126   9.075   2.932
  255   2HG   GLU  31           HG2      GLU  31  16.380   9.062   2.529
  256    H    VAL  32           H        VAL  32  14.395   6.797   2.560
  257    HA   VAL  32           HA       VAL  32  12.641   8.746   1.995
  258    HB   VAL  32           HB       VAL  32  12.141   5.784   2.269
  259   1HG1  VAL  32          1HG1      VAL  32  10.493   7.766   0.884
  260   2HG1  VAL  32          2HG1      VAL  32  10.717   6.217   0.071
  261   3HG1  VAL  32          3HG1      VAL  32  10.004   6.280   1.685
  262   1HG2  VAL  32          2HG2      VAL  32  13.838   7.392   0.342
  263   2HG2  VAL  32          3HG2      VAL  32  14.029   5.768   1.013
  264   3HG2  VAL  32          1HG2      VAL  32  12.865   6.024  -0.283
  265    HA   PRO  33           HA       PRO  33  10.738   9.126   6.040
  266   1HB   PRO  33           HB1      PRO  33   9.608  11.630   5.804
  267   2HB   PRO  33           HB2      PRO  33  11.355  11.384   6.006
  268   1HG   PRO  33           HG1      PRO  33   9.736  11.845   3.424
  269   2HG   PRO  33           HG2      PRO  33  11.296  12.562   3.908
  270   1HD   PRO  33           HD2      PRO  33  11.073  10.279   2.197
  271   2HD   PRO  33           HD1      PRO  33  12.525  10.576   3.225
  272    H    VAL  34           H        VAL  34   9.429   7.420   5.903
  273    HA   VAL  34           HA       VAL  34   6.622   7.839   5.799
  274    HB   VAL  34           HB       VAL  34   6.884   8.005   3.456
  275   1HG1  VAL  34          2HG1      VAL  34   8.710   5.731   3.608
  276   2HG1  VAL  34          3HG1      VAL  34   7.651   5.740   2.210
  277   3HG1  VAL  34          1HG1      VAL  34   8.606   7.190   2.539
  278   1HG2  VAL  34          2HG2      VAL  34   5.618   5.352   4.414
  279   2HG2  VAL  34          3HG2      VAL  34   4.814   6.878   3.923
  280   3HG2  VAL  34          1HG2      VAL  34   5.645   5.829   2.729
  281    H    ILE  35           H        ILE  35   5.991   6.456   7.444
  282    HA   ILE  35           HA       ILE  35   6.901   3.756   7.815
  283    HB   ILE  35           HB       ILE  35   4.619   5.397   8.805
  284   1HG1  ILE  35          1HG1      ILE  35   6.501   5.913  10.079
  285   2HG1  ILE  35          2HG1      ILE  35   5.804   4.591  11.040
  286   1HG2  ILE  35          1HG2      ILE  35   4.634   2.516   8.760
  287   2HG2  ILE  35          2HG2      ILE  35   4.178   3.287  10.292
  288   3HG2  ILE  35          3HG2      ILE  35   3.282   3.656   8.834
  289   1HD1  ILE  35           HD2      ILE  35   7.599   3.066   9.834
  290   2HD1  ILE  35           HD3      ILE  35   8.303   4.592   9.428
  291   3HD1  ILE  35           HD1      ILE  35   7.947   4.184  11.156
  292    H    ILE  36           H        ILE  36   6.447   2.062   6.517
  293    HA   ILE  36           HA       ILE  36   4.060   1.810   4.849
  294    HB   ILE  36           HB       ILE  36   6.139  -0.236   5.082
  295   1HG1  ILE  36          1HG1      ILE  36   6.527   1.474   2.721
  296   2HG1  ILE  36          2HG1      ILE  36   6.619   2.476   4.195
  297   1HG2  ILE  36          3HG2      ILE  36   3.762   0.085   3.483
  298   2HG2  ILE  36          1HG2      ILE  36   5.247  -0.190   2.564
  299   3HG2  ILE  36          2HG2      ILE  36   4.771  -1.296   3.877
  300   1HD1  ILE  36           HD1      ILE  36   8.209   0.025   4.078
  301   2HD1  ILE  36           HD2      ILE  36   8.856   1.415   3.189
  302   3HD1  ILE  36           HD3      ILE  36   8.587   1.590   4.885
  303    H    GLU  37           H        GLU  37   2.270   1.293   6.219
  304    HA   GLU  37           HA       GLU  37   2.520  -1.182   7.824
  305   1HB   GLU  37           HB1      GLU  37   0.383   0.994   7.855
  306   2HB   GLU  37           HB2      GLU  37   0.312  -0.527   8.794
  307   1HG   GLU  37           HG1      GLU  37   2.753   0.471   9.654
  308   2HG   GLU  37           HG2      GLU  37   1.880   1.970   9.242
  309    H    ALA  38           H        ALA  38   1.005  -2.915   7.345
  310    HA   ALA  38           HA       ALA  38  -0.860  -2.639   5.140
  311   1HB   ALA  38           HB1      ALA  38   1.061  -4.933   5.654
  312   2HB   ALA  38           HB2      ALA  38  -0.345  -5.091   4.562
  313   3HB   ALA  38           HB3      ALA  38   0.916  -3.969   4.160
  314    H    PHE  39           H        PHE  39  -2.896  -3.516   5.582
  315    HA   PHE  39           HA       PHE  39  -3.310  -4.758   8.249
  316   1HB   PHE  39           HB1      PHE  39  -5.274  -2.884   6.951
  317   2HB   PHE  39           HB2      PHE  39  -5.093  -3.386   8.640
  318    HD1  PHE  39           HD1      PHE  39  -3.590  -1.274   5.913
  319    HD2  PHE  39           HD2      PHE  39  -3.504  -2.321  10.107
  320    HE1  PHE  39           HE1      PHE  39  -3.055   1.116   6.551
  321    HE2  PHE  39           HE2      PHE  39  -1.830  -0.460  10.430
  322    HZ   PHE  39           HZ       PHE  39  -1.909   1.444   8.797
  323    HA   PRO  40           HA       PRO  40  -6.047  -7.397   5.773
  324   1HB   PRO  40           HB1      PRO  40  -7.911  -8.343   7.569
  325   2HB   PRO  40           HB2      PRO  40  -6.141  -8.707   7.561
  326   1HG   PRO  40           HG1      PRO  40  -7.746  -6.817   9.385
  327   2HG   PRO  40           HG2      PRO  40  -6.304  -7.767   9.769
  328   1HD   PRO  40           HD2      PRO  40  -6.389  -4.945   8.821
  329   2HD   PRO  40           HD1      PRO  40  -4.942  -5.893   9.191
  330    H    GLU  41           H        GLU  41  -6.632  -5.500   4.532
  331    HA   GLU  41           HA       GLU  41  -7.840  -3.568   4.064
  332   1HB   GLU  41           HB1      GLU  41  -9.325  -4.193   2.378
  333   2HB   GLU  41           HB2      GLU  41  -8.233  -5.592   2.511
  334   1HG   GLU  41           HG1      GLU  41  -9.807  -6.828   3.804
  335   2HG   GLU  41           HG2      GLU  41 -10.959  -5.433   3.853
  336    H    THR  42           H        THR  42  -8.609  -4.341   6.894
  337    HA   THR  42           HA       THR  42 -11.535  -4.013   7.038
  338    HB   THR  42           HB       THR  42 -11.638  -5.291   8.836
  339    HG1  THR  42           HG1      THR  42 -10.264  -5.013  10.731
  340   1HG2  THR  42          3HG2      THR  42  -8.813  -5.843   8.112
  341   2HG2  THR  42          1HG2      THR  42  -9.782  -6.761   9.299
  342   3HG2  THR  42          2HG2      THR  42 -10.241  -6.752   7.622
  343    H    LEU  43           H        LEU  43  -8.584  -2.292   7.347
  344    HA   LEU  43           HA       LEU  43  -9.308  -0.562   9.607
  345   1HB   LEU  43           HB1      LEU  43  -7.036  -2.079   8.675
  346   2HB   LEU  43           HB2      LEU  43  -6.593  -0.373   8.378
  347    HG   LEU  43           HG       LEU  43  -5.778  -0.268  10.418
  348   1HD1  LEU  43          1HD1      LEU  43  -8.536  -0.526  11.344
  349   2HD1  LEU  43          2HD1      LEU  43  -7.189  -0.105  12.418
  350   3HD1  LEU  43          3HD1      LEU  43  -7.538   0.917  11.021
  351   1HD2  LEU  43          2HD2      LEU  43  -6.656  -3.113  10.363
  352   2HD2  LEU  43          3HD2      LEU  43  -5.165  -2.438  10.990
  353   3HD2  LEU  43          1HD2      LEU  43  -6.645  -2.413  11.993
  354    H    ALA  44           H        ALA  44  -9.000  -0.790   6.099
  355    HA   ALA  44           HA       ALA  44  -7.226   1.283   5.510
  356   1HB   ALA  44           HB1      ALA  44  -8.888  -0.640   4.067
  357   2HB   ALA  44           HB2      ALA  44  -8.986   0.961   3.263
  358   3HB   ALA  44           HB3      ALA  44  -7.444   0.188   3.487
  359    H    GLY  45           H        GLY  45 -10.821   1.165   5.624
  360   1HA   GLY  45           HA1      GLY  45 -11.713   3.674   5.063
  361   2HA   GLY  45           HA2      GLY  45 -12.234   2.715   6.511
  362    H    GLU  46           H        GLU  46 -10.378   2.715   8.261
  363    HA   GLU  46           HA       GLU  46 -10.218   5.496   9.235
  364   1HB   GLU  46           HB1      GLU  46 -10.540   2.858  10.339
  365   2HB   GLU  46           HB2      GLU  46  -8.953   3.465  10.860
  366   1HG   GLU  46           HG1      GLU  46  -9.929   5.293  12.041
  367   2HG   GLU  46           HG2      GLU  46 -11.378   5.301  11.014
  368    H    LYS  47           H        LYS  47  -7.909   2.739   8.481
  369    HA   LYS  47           HA       LYS  47  -5.625   4.199   9.249
  370   1HB   LYS  47           HB1      LYS  47  -6.154   1.482   8.404
  371   2HB   LYS  47           HB2      LYS  47  -4.743   2.173   7.540
  372   1HG   LYS  47           HG1      LYS  47  -4.400   0.958   9.790
  373   2HG   LYS  47           HG2      LYS  47  -3.559   2.501   9.522
  374   1HD   LYS  47           HD1      LYS  47  -6.028   3.179  10.791
  375   2HD   LYS  47           HD2      LYS  47  -5.345   1.803  11.680
  376   1HE   LYS  47           HE1      LYS  47  -3.205   2.994  12.021
  377   2HE   LYS  47           HE2      LYS  47  -3.724   4.313  10.935
  378   1HZ   LYS  47           HZ1      LYS  47  -5.562   4.689  12.515
  379   2HZ   LYS  47           HZ2      LYS  47  -4.898   3.516  13.555
  380   3HZ   LYS  47           HZ3      LYS  47  -4.053   4.939  13.206
  381    H    GLY  48           H        GLY  48  -6.772   3.047   6.018
  382   1HA   GLY  48           HA1      GLY  48  -5.618   4.408   4.177
  383   2HA   GLY  48           HA2      GLY  48  -7.387   4.435   4.301
  384    H    GLN  49           H        GLN  49  -8.221   6.236   5.955
  385    HA   GLN  49           HA       GLN  49  -7.626   8.803   5.493
  386   1HB   GLN  49           HB1      GLN  49  -8.026   7.544   8.283
  387   2HB   GLN  49           HB2      GLN  49  -8.405   9.247   7.828
  388   1HG   GLN  49           HG1      GLN  49  -9.814   7.606   5.998
  389   2HG   GLN  49           HG2      GLN  49  -9.980   6.764   7.544
  390   1HE2  GLN  49          1HE2      GLN  49 -12.730   8.789   8.138
  391   2HE2  GLN  49          2HE2      GLN  49 -12.254   7.202   7.478
  392    H    ASN  50           H        ASN  50  -5.781   6.767   7.943
  393    HA   ASN  50           HA       ASN  50  -4.333   9.073   8.933
  394   1HB   ASN  50           HB1      ASN  50  -3.953   6.114   9.578
  395   2HB   ASN  50           HB2      ASN  50  -3.245   7.505  10.449
  396   1HD2  ASN  50          1HD2      ASN  50  -6.826   8.443  11.427
  397   2HD2  ASN  50          2HD2      ASN  50  -5.493   9.264  10.670
  398    H    ALA  51           H        ALA  51  -3.987   6.732   6.424
  399    HA   ALA  51           HA       ALA  51  -1.169   6.906   5.889
  400   1HB   ALA  51           HB3      ALA  51  -3.530   5.797   4.469
  401   2HB   ALA  51           HB1      ALA  51  -2.032   6.138   3.601
  402   3HB   ALA  51           HB2      ALA  51  -2.020   5.040   4.984
  403    H    ASP  52           H        ASP  52  -0.236   7.991   4.042
  404    HA   ASP  52           HA       ASP  52  -1.621  10.417   3.025
  405   1HB   ASP  52           HB1      ASP  52   0.642  10.521   4.276
  406   2HB   ASP  52           HB2      ASP  52   1.348   9.961   2.755
  407    H    VAL  53           H        VAL  53   0.117   7.395   2.068
  408    HA   VAL  53           HA       VAL  53  -1.472   7.415  -0.423
  409    HB   VAL  53           HB       VAL  53   1.410   6.739  -0.059
  410   1HG1  VAL  53          3HG1      VAL  53  -0.233   5.396  -2.097
  411   2HG1  VAL  53          1HG1      VAL  53   1.252   6.204  -2.586
  412   3HG1  VAL  53          2HG1      VAL  53   1.238   5.006  -1.248
  413   1HG2  VAL  53          3HG2      VAL  53   0.039   9.075  -0.959
  414   2HG2  VAL  53          1HG2      VAL  53   1.776   8.709  -1.121
  415   3HG2  VAL  53          2HG2      VAL  53   0.664   8.370  -2.439
  416    H    VAL  54           H        VAL  54  -2.324   5.343  -1.034
  417    HA   VAL  54           HA       VAL  54  -2.370   3.348   1.154
  418    HB   VAL  54           HB       VAL  54  -4.590   4.664  -0.244
  419   1HG1  VAL  54          2HG1      VAL  54  -4.660   1.799   0.414
  420   2HG1  VAL  54          3HG1      VAL  54  -6.094   2.733   0.635
  421   3HG1  VAL  54          1HG1      VAL  54  -5.360   2.792  -0.952
  422   1HG2  VAL  54          1HG2      VAL  54  -3.598   4.196   2.492
  423   2HG2  VAL  54          2HG2      VAL  54  -4.648   5.485   1.960
  424   3HG2  VAL  54          3HG2      VAL  54  -5.330   3.896   2.368
  425    H    LEU  55           H        LEU  55  -2.643   1.157   0.538
  426    HA   LEU  55           HA       LEU  55  -2.894   0.369  -2.279
  427   1HB   LEU  55           HB1      LEU  55  -0.822  -0.820  -0.275
  428   2HB   LEU  55           HB2      LEU  55  -1.098  -1.369  -1.936
  429    HG   LEU  55           HG       LEU  55  -0.468   1.414  -1.982
  430   1HD1  LEU  55          3HD1      LEU  55   0.519   0.702   0.261
  431   2HD1  LEU  55          1HD1      LEU  55   1.838   0.101  -0.814
  432   3HD1  LEU  55          2HD1      LEU  55   1.413   1.806  -0.777
  433   1HD2  LEU  55          2HD2      LEU  55  -0.178  -0.475  -3.778
  434   2HD2  LEU  55          3HD2      LEU  55   1.050   0.758  -3.686
  435   3HD2  LEU  55          1HD2      LEU  55   1.363  -0.829  -2.939
  436    H    LEU  56           H        LEU  56  -3.661  -1.781  -2.634
  437    HA   LEU  56           HA       LEU  56  -4.944  -3.249  -0.412
  438   1HB   LEU  56           HB1      LEU  56  -6.590  -1.462  -1.460
  439   2HB   LEU  56           HB2      LEU  56  -6.281  -2.182  -3.028
  440    HG   LEU  56           HG       LEU  56  -8.398  -2.939  -2.339
  441   1HD1  LEU  56          2HD1      LEU  56  -6.761  -4.481  -3.440
  442   2HD1  LEU  56          3HD1      LEU  56  -6.789  -5.239  -1.846
  443   3HD1  LEU  56          1HD1      LEU  56  -8.312  -4.974  -2.789
  444   1HD2  LEU  56          3HD2      LEU  56  -7.294  -3.042   0.382
  445   2HD2  LEU  56          1HD2      LEU  56  -8.987  -3.138  -0.129
  446   3HD2  LEU  56          2HD2      LEU  56  -7.949  -4.603  -0.132
  447    H    GLY  57           H        GLY  57  -5.033  -5.460  -0.891
  448   1HA   GLY  57           HA1      GLY  57  -3.520  -6.853  -2.604
  449   2HA   GLY  57           HA2      GLY  57  -5.070  -7.414  -1.971
  450    HA   PRO  58           HA       PRO  58  -4.788  -6.606  -6.913
  451   1HB   PRO  58           HB1      PRO  58  -3.606  -9.327  -6.215
  452   2HB   PRO  58           HB2      PRO  58  -3.511  -8.511  -7.791
  453   1HG   PRO  58           HG1      PRO  58  -1.414  -8.057  -6.184
  454   2HG   PRO  58           HG2      PRO  58  -2.165  -6.637  -6.912
  455   1HD   PRO  58           HD2      PRO  58  -2.510  -7.647  -4.031
  456   2HD   PRO  58           HD1      PRO  58  -2.601  -5.970  -4.707
  457    H    GLN  59           H        GLN  59  -5.704  -9.095  -4.697
  458    HA   GLN  59           HA       GLN  59  -7.479 -10.385  -6.593
  459   1HB   GLN  59           HB1      GLN  59  -6.761 -11.558  -3.856
  460   2HB   GLN  59           HB2      GLN  59  -7.066 -12.415  -5.397
  461   1HG   GLN  59           HG1      GLN  59  -4.795 -11.743  -6.181
  462   2HG   GLN  59           HG2      GLN  59  -4.567 -10.756  -4.720
  463   1HE2  GLN  59          1HE2      GLN  59  -2.890 -13.457  -3.388
  464   2HE2  GLN  59          2HE2      GLN  59  -2.551 -12.220  -4.638
  465    H    ILE  60           H        ILE  60  -7.523  -8.446  -3.648
  466    HA   ILE  60           HA       ILE  60 -10.401  -8.850  -3.231
  467    HB   ILE  60           HB       ILE  60 -10.334  -8.134  -1.112
  468   1HG1  ILE  60          1HG1      ILE  60  -7.535  -6.960  -1.624
  469   2HG1  ILE  60          2HG1      ILE  60  -9.016  -6.035  -1.381
  470   1HG2  ILE  60          2HG2      ILE  60  -8.520 -10.122  -1.879
  471   2HG2  ILE  60          3HG2      ILE  60  -7.875  -9.304  -0.439
  472   3HG2  ILE  60          1HG2      ILE  60  -9.510  -9.928  -0.417
  473   1HD1  ILE  60           HD1      ILE  60  -8.463  -7.845   0.789
  474   2HD1  ILE  60           HD2      ILE  60  -7.216  -6.593   0.625
  475   3HD1  ILE  60           HD3      ILE  60  -8.936  -6.147   0.799
  476    H    ALA  61           H        ALA  61  -8.389  -7.313  -5.228
  477    HA   ALA  61           HA       ALA  61  -8.491  -4.806  -5.660
  478   1HB   ALA  61           HB3      ALA  61  -9.526  -7.044  -7.338
  479   2HB   ALA  61           HB1      ALA  61  -9.444  -5.376  -7.974
  480   3HB   ALA  61           HB2      ALA  61  -7.968  -6.205  -7.452
  481    H    TYR  62           H        TYR  62 -11.550  -6.730  -5.402
  482    HA   TYR  62           HA       TYR  62 -13.275  -5.110  -6.847
  483   1HB   TYR  62           HB1      TYR  62 -15.074  -6.471  -5.839
  484   2HB   TYR  62           HB2      TYR  62 -13.677  -7.454  -6.324
  485    HD1  TYR  62           HD1      TYR  62 -12.161  -6.364  -3.644
  486    HD2  TYR  62           HD2      TYR  62 -15.715  -8.573  -4.673
  487    HE1  TYR  62           HE1      TYR  62 -12.182  -7.350  -1.333
  488    HE2  TYR  62           HE2      TYR  62 -15.786  -9.528  -2.343
  489    HH   TYR  62           HH       TYR  62 -14.545 -10.028  -0.607
  490    H    MET  63           H        MET  63 -11.837  -4.511  -3.724
  491    HA   MET  63           HA       MET  63 -14.118  -3.385  -2.385
  492   1HB   MET  63           HB1      MET  63 -11.330  -4.144  -1.699
  493   2HB   MET  63           HB2      MET  63 -12.074  -2.855  -0.686
  494   1HG   MET  63           HG1      MET  63 -13.556  -5.426  -1.270
  495   2HG   MET  63           HG2      MET  63 -12.270  -5.406  -0.040
  496   1HE   MET  63           HE3      MET  63 -12.427  -2.654   1.304
  497   2HE   MET  63           HE1      MET  63 -13.744  -2.763   2.510
  498   3HE   MET  63           HE2      MET  63 -12.503  -4.043   2.356
  499    H    LEU  64           H        LEU  64 -11.901  -2.270  -4.673
  500    HA   LEU  64           HA       LEU  64 -10.795   0.038  -3.437
  501   1HB   LEU  64           HB1      LEU  64  -9.414  -0.734  -5.205
  502   2HB   LEU  64           HB2      LEU  64 -10.791  -1.406  -6.118
  503    HG   LEU  64           HG       LEU  64 -11.077   0.526  -7.354
  504   1HD1  LEU  64          3HD1      LEU  64  -9.927   2.177  -5.239
  505   2HD1  LEU  64          1HD1      LEU  64  -9.780   2.616  -6.969
  506   3HD1  LEU  64          2HD1      LEU  64 -11.337   2.438  -6.234
  507   1HD2  LEU  64          1HD2      LEU  64  -8.824  -0.802  -7.537
  508   2HD2  LEU  64          2HD2      LEU  64  -8.950   0.785  -8.349
  509   3HD2  LEU  64          3HD2      LEU  64  -8.046   0.603  -6.856
  510    HA   PRO  65           HA       PRO  65 -14.366   2.175  -5.964
  511   1HB   PRO  65           HB1      PRO  65 -16.433  -0.029  -5.997
  512   2HB   PRO  65           HB2      PRO  65 -16.054   1.194  -7.233
  513   1HG   PRO  65           HG1      PRO  65 -15.189  -1.341  -7.548
  514   2HG   PRO  65           HG2      PRO  65 -14.149   0.013  -7.996
  515   1HD   PRO  65           HD2      PRO  65 -14.249  -1.543  -5.289
  516   2HD   PRO  65           HD1      PRO  65 -12.768  -1.257  -6.265
  517    H    GLU  66           H        GLU  66 -15.335  -0.192  -3.565
  518    HA   GLU  66           HA       GLU  66 -16.724   1.421  -1.734
  519   1HB   GLU  66           HB1      GLU  66 -15.570  -1.182  -1.836
  520   2HB   GLU  66           HB2      GLU  66 -14.795  -0.358  -0.457
  521   1HG   GLU  66           HG1      GLU  66 -16.774  -0.128   0.762
  522   2HG   GLU  66           HG2      GLU  66 -17.801  -0.188  -0.674
  523    H    ILE  67           H        ILE  67 -13.208   0.583  -1.656
  524    HA   ILE  67           HA       ILE  67 -12.249   1.906   0.427
  525    HB   ILE  67           HB       ILE  67 -10.851   1.410  -2.109
  526   1HG1  ILE  67          1HG1      ILE  67 -11.955  -0.578  -0.758
  527   2HG1  ILE  67          2HG1      ILE  67 -10.301  -0.665  -1.357
  528   1HG2  ILE  67          2HG2      ILE  67  -9.729   2.410   0.450
  529   2HG2  ILE  67          3HG2      ILE  67  -8.810   1.246  -0.511
  530   3HG2  ILE  67          1HG2      ILE  67  -9.323   2.741  -1.261
  531   1HD1  ILE  67           HD2      ILE  67 -10.881  -0.036   1.575
  532   2HD1  ILE  67           HD3      ILE  67 -10.813  -1.612   0.967
  533   3HD1  ILE  67           HD1      ILE  67  -9.419  -0.532   0.731
  534    H    GLN  68           H        GLN  68 -13.219   3.054  -2.709
  535    HA   GLN  68           HA       GLN  68 -11.765   5.596  -2.599
  536   1HB   GLN  68           HB1      GLN  68 -13.046   3.872  -4.659
  537   2HB   GLN  68           HB2      GLN  68 -13.313   5.603  -4.930
  538   1HG   GLN  68           HG1      GLN  68 -10.556   4.327  -4.519
  539   2HG   GLN  68           HG2      GLN  68 -11.348   4.493  -6.110
  540   1HE2  GLN  68          1HE2      GLN  68  -9.687   7.802  -4.404
  541   2HE2  GLN  68          2HE2      GLN  68 -10.069   6.454  -3.310
  542    H    ARG  69           H        ARG  69 -15.093   4.445  -2.029
  543    HA   ARG  69           HA       ARG  69 -16.303   7.002  -1.862
  544   1HB   ARG  69           HB1      ARG  69 -16.903   4.316  -0.575
  545   2HB   ARG  69           HB2      ARG  69 -17.899   5.738  -0.287
  546   1HG   ARG  69           HG1      ARG  69 -19.061   5.269  -2.114
  547   2HG   ARG  69           HG2      ARG  69 -17.615   5.569  -3.103
  548   1HD   ARG  69           HD1      ARG  69 -17.125   3.264  -3.280
  549   2HD   ARG  69           HD2      ARG  69 -17.983   2.873  -1.761
  550    HE   ARG  69           HE       ARG  69 -19.787   2.408  -3.084
  551   1HH1  ARG  69          2HH1      ARG  69 -17.846   4.650  -4.758
  552   2HH1  ARG  69          1HH1      ARG  69 -19.127   4.848  -6.134
  553   1HH2  ARG  69          2HH2      ARG  69 -21.197   2.777  -4.600
  554   2HH2  ARG  69          1HH2      ARG  69 -20.831   4.041  -5.997
  555    H    LEU  70           H        LEU  70 -15.543   4.746   0.825
  556    HA   LEU  70           HA       LEU  70 -15.249   6.070   3.035
  557   1HB   LEU  70           HB1      LEU  70 -13.729   3.906   1.563
  558   2HB   LEU  70           HB2      LEU  70 -12.759   4.627   2.877
  559    HG   LEU  70           HG       LEU  70 -14.196   3.776   4.533
  560   1HD1  LEU  70          3HD1      LEU  70 -16.366   3.718   2.645
  561   2HD1  LEU  70          1HD1      LEU  70 -16.248   2.436   3.900
  562   3HD1  LEU  70          2HD1      LEU  70 -16.340   4.161   4.314
  563   1HD2  LEU  70          1HD2      LEU  70 -13.256   2.055   2.360
  564   2HD2  LEU  70          2HD2      LEU  70 -13.103   1.845   4.112
  565   3HD2  LEU  70          3HD2      LEU  70 -14.542   1.255   3.296
  566    H    LEU  71           H        LEU  71 -12.789   6.190   0.381
  567    HA   LEU  71           HA       LEU  71 -12.054   8.901   1.142
  568   1HB   LEU  71           HB1      LEU  71  -9.929   6.818   0.194
  569   2HB   LEU  71           HB2      LEU  71  -9.622   8.326   1.108
  570    HG   LEU  71           HG       LEU  71 -11.123   6.187   2.464
  571   1HD1  LEU  71          2HD1      LEU  71  -9.171   5.071   1.072
  572   2HD1  LEU  71          3HD1      LEU  71  -8.257   5.626   2.471
  573   3HD1  LEU  71          1HD1      LEU  71  -9.736   4.581   2.649
  574   1HD2  LEU  71          2HD2      LEU  71  -9.253   8.426   3.129
  575   2HD2  LEU  71          3HD2      LEU  71 -10.632   7.881   4.062
  576   3HD2  LEU  71          1HD2      LEU  71  -9.093   6.986   4.145
  577    HA   PRO  72           HA       PRO  72 -12.586   8.864  -3.346
  578   1HB   PRO  72           HB1      PRO  72 -14.379  10.822  -3.654
  579   2HB   PRO  72           HB2      PRO  72 -14.854   9.220  -3.081
  580   1HG   PRO  72           HG1      PRO  72 -14.341  11.746  -1.419
  581   2HG   PRO  72           HG2      PRO  72 -15.644  10.538  -1.240
  582   1HD   PRO  72           HD2      PRO  72 -13.189  10.472   0.274
  583   2HD   PRO  72           HD1      PRO  72 -14.268   9.074  -0.003
  584    H    ASN  73           H        ASN  73 -10.253   9.833  -2.536
  585    HA   ASN  73           HA       ASN  73  -9.730  12.151  -4.055
  586   1HB   ASN  73           HB1      ASN  73 -10.359  13.558  -2.340
  587   2HB   ASN  73           HB2      ASN  73  -9.871  12.406  -1.081
  588   1HD2  ASN  73          1HD2      ASN  73  -7.039  14.304  -0.418
  589   2HD2  ASN  73          2HD2      ASN  73  -8.337  13.253   0.192
  590    H    LYS  74           H        LYS  74  -8.560  10.096  -1.296
  591    HA   LYS  74           HA       LYS  74  -5.845  10.617  -1.291
  592   1HB   LYS  74           HB1      LYS  74  -7.577   8.360  -0.474
  593   2HB   LYS  74           HB2      LYS  74  -5.833   8.037  -0.568
  594   1HG   LYS  74           HG1      LYS  74  -6.784  10.577   0.777
  595   2HG   LYS  74           HG2      LYS  74  -6.932   9.063   1.674
  596   1HD   LYS  74           HD1      LYS  74  -4.341   8.837   0.909
  597   2HD   LYS  74           HD2      LYS  74  -4.477  10.612   0.906
  598   1HE   LYS  74           HE1      LYS  74  -5.139   8.709   3.252
  599   2HE   LYS  74           HE2      LYS  74  -3.821   9.886   3.204
  600   1HZ   LYS  74           HZ1      LYS  74  -5.497  11.640   2.924
  601   2HZ   LYS  74           HZ2      LYS  74  -6.696  10.464   3.191
  602   3HZ   LYS  74           HZ3      LYS  74  -5.577  10.823   4.406
  603    HA   PRO  75           HA       PRO  75  -4.181   8.201  -4.655
  604   1HB   PRO  75           HB1      PRO  75  -1.521   8.159  -4.008
  605   2HB   PRO  75           HB2      PRO  75  -2.351   9.612  -4.621
  606   1HG   PRO  75           HG1      PRO  75  -1.680   8.846  -1.706
  607   2HG   PRO  75           HG2      PRO  75  -1.561  10.434  -2.463
  608   1HD   PRO  75           HD2      PRO  75  -3.755   9.735  -0.894
  609   2HD   PRO  75           HD1      PRO  75  -3.825  10.966  -2.181
  610    H    VAL  76           H        VAL  76  -5.525   6.645  -3.090
  611    HA   VAL  76           HA       VAL  76  -4.455   4.224  -2.228
  612    HB   VAL  76           HB       VAL  76  -7.004   4.812  -3.688
  613   1HG1  VAL  76          3HG1      VAL  76  -6.143   2.173  -2.895
  614   2HG1  VAL  76          1HG1      VAL  76  -7.545   2.750  -1.998
  615   3HG1  VAL  76          2HG1      VAL  76  -7.534   2.789  -3.766
  616   1HG2  VAL  76          2HG2      VAL  76  -6.131   5.668  -1.036
  617   2HG2  VAL  76          3HG2      VAL  76  -7.722   5.834  -1.780
  618   3HG2  VAL  76          1HG2      VAL  76  -7.330   4.375  -0.850
  619    H    GLU  77           H        GLU  77  -3.938   2.284  -3.346
  620    HA   GLU  77           HA       GLU  77  -4.475   1.926  -6.108
  621   1HB   GLU  77           HB1      GLU  77  -1.827   2.993  -5.409
  622   2HB   GLU  77           HB2      GLU  77  -1.724   1.464  -6.289
  623   1HG   GLU  77           HG1      GLU  77  -3.792   2.860  -7.622
  624   2HG   GLU  77           HG2      GLU  77  -2.576   4.078  -7.286
  625    H    VAL  78           H        VAL  78  -5.227  -0.143  -5.919
  626    HA   VAL  78           HA       VAL  78  -4.215  -2.270  -4.371
  627    HB   VAL  78           HB       VAL  78  -6.422  -2.199  -5.371
  628   1HG1  VAL  78          1HG1      VAL  78  -5.201  -2.377  -8.036
  629   2HG1  VAL  78          2HG1      VAL  78  -6.942  -2.640  -7.646
  630   3HG1  VAL  78          3HG1      VAL  78  -6.187  -1.075  -7.398
  631   1HG2  VAL  78          3HG2      VAL  78  -5.368  -4.494  -4.843
  632   2HG2  VAL  78          1HG2      VAL  78  -6.678  -4.459  -6.047
  633   3HG2  VAL  78          2HG2      VAL  78  -4.998  -4.663  -6.536
  634    H    ILE  79           H        ILE  79  -2.823  -4.120  -5.152
  635    HA   ILE  79           HA       ILE  79  -0.307  -3.087  -5.981
  636    HB   ILE  79           HB       ILE  79  -0.727  -5.869  -5.160
  637   1HG1  ILE  79          1HG1      ILE  79  -1.688  -3.621  -3.626
  638   2HG1  ILE  79          2HG1      ILE  79  -1.463  -5.266  -3.054
  639   1HG2  ILE  79          1HG2      ILE  79   1.503  -4.261  -5.658
  640   2HG2  ILE  79          2HG2      ILE  79   1.574  -4.943  -4.037
  641   3HG2  ILE  79          3HG2      ILE  79   1.432  -5.984  -5.436
  642   1HD1  ILE  79           HD3      ILE  79   0.827  -4.685  -2.301
  643   2HD1  ILE  79           HD1      ILE  79   0.479  -3.054  -2.937
  644   3HD1  ILE  79           HD2      ILE  79  -0.383  -3.711  -1.530
  645    H    ASP  80           H        ASP  80   0.965  -4.949  -7.332
  646    HA   ASP  80           HA       ASP  80  -0.629  -6.472  -9.241
  647   1HB   ASP  80           HB1      ASP  80   2.064  -5.211  -9.203
  648   2HB   ASP  80           HB2      ASP  80   2.171  -6.965  -9.519
  649    H    SER  81           H        SER  81   0.361  -8.855  -9.409
  650    HA   SER  81           HA       SER  81  -0.434  -9.768  -6.697
  651   1HB   SER  81           HB1      SER  81  -2.216 -10.154  -8.248
  652   2HB   SER  81           HB2      SER  81  -1.078 -10.518  -9.556
  653    HG   SER  81           HG       SER  81  -2.227 -12.416  -8.639
  654    H    LEU  82           H        LEU  82   1.958  -9.868  -9.171
  655    HA   LEU  82           HA       LEU  82   3.290 -12.233  -8.180
  656   1HB   LEU  82           HB1      LEU  82   2.952 -10.772 -10.754
  657   2HB   LEU  82           HB2      LEU  82   4.622 -11.333 -10.487
  658    HG   LEU  82           HG       LEU  82   2.833 -13.463  -9.875
  659   1HD1  LEU  82          1HD1      LEU  82   1.580 -11.884 -11.759
  660   2HD1  LEU  82          2HD1      LEU  82   1.977 -13.385 -12.561
  661   3HD1  LEU  82          3HD1      LEU  82   1.165 -13.412 -10.989
  662   1HD2  LEU  82          2HD2      LEU  82   5.333 -13.268 -10.853
  663   2HD2  LEU  82          3HD2      LEU  82   4.349 -14.718 -10.987
  664   3HD2  LEU  82          1HD2      LEU  82   4.484 -13.603 -12.371
  665    H    LEU  83           H        LEU  83   3.784  -8.657  -8.819
  666    HA   LEU  83           HA       LEU  83   6.273  -8.362  -7.555
  667   1HB   LEU  83           HB1      LEU  83   3.677  -6.761  -8.049
  668   2HB   LEU  83           HB2      LEU  83   4.940  -5.990  -7.076
  669    HG   LEU  83           HG       LEU  83   4.792  -6.414 -10.007
  670   1HD1  LEU  83          2HD1      LEU  83   4.740  -4.077  -8.370
  671   2HD1  LEU  83          3HD1      LEU  83   6.041  -4.059  -9.567
  672   3HD1  LEU  83          1HD1      LEU  83   4.343  -4.436 -10.041
  673   1HD2  LEU  83          3HD2      LEU  83   7.457  -6.232  -8.472
  674   2HD2  LEU  83          1HD2      LEU  83   6.904  -7.497  -9.556
  675   3HD2  LEU  83          2HD2      LEU  83   7.212  -5.857 -10.169
  676    H    TYR  84           H        TYR  84   2.853  -8.336  -6.485
  677    HA   TYR  84           HA       TYR  84   2.996  -7.988  -3.762
  678   1HB   TYR  84           HB1      TYR  84   0.964  -8.187  -5.310
  679   2HB   TYR  84           HB2      TYR  84   1.022  -9.933  -5.026
  680    HD1  TYR  84           HD1      TYR  84   1.565  -7.007  -2.683
  681    HD2  TYR  84           HD2      TYR  84  -0.671 -10.570  -3.733
  682    HE1  TYR  84           HE1      TYR  84   0.084  -6.667  -0.664
  683    HE2  TYR  84           HE2      TYR  84  -1.917 -10.407  -1.552
  684    HH   TYR  84           HH       TYR  84  -1.892  -9.477   0.455
  685    H    GLY  85           H        GLY  85   2.469 -11.347  -5.118
  686   1HA   GLY  85           HA1      GLY  85   3.615 -12.512  -2.760
  687   2HA   GLY  85           HA2      GLY  85   2.877 -13.390  -4.161
  688    H    LYS  86           H        LYS  86   5.276 -11.083  -5.085
  689    HA   LYS  86           HA       LYS  86   7.532 -12.919  -4.426
  690   1HB   LYS  86           HB1      LYS  86   7.135 -10.925  -6.692
  691   2HB   LYS  86           HB2      LYS  86   8.687 -11.670  -6.293
  692   1HG   LYS  86           HG1      LYS  86   6.354 -13.532  -6.452
  693   2HG   LYS  86           HG2      LYS  86   6.883 -12.833  -8.000
  694   1HD   LYS  86           HD1      LYS  86   8.525 -14.507  -6.104
  695   2HD   LYS  86           HD2      LYS  86   7.888 -15.030  -7.681
  696   1HE   LYS  86           HE1      LYS  86   9.778 -12.646  -7.466
  697   2HE   LYS  86           HE2      LYS  86  10.356 -14.337  -7.721
  698   1HZ   LYS  86           HZ1      LYS  86   8.864 -14.392  -9.623
  699   2HZ   LYS  86           HZ2      LYS  86   8.539 -12.710  -9.445
  700   3HZ   LYS  86           HZ3      LYS  86  10.128 -13.229  -9.807
  701    H    VAL  87           H        VAL  87   5.875 -10.182  -3.397
  702    HA   VAL  87           HA       VAL  87   6.336  -8.722  -1.790
  703    HB   VAL  87           HB       VAL  87   8.387 -10.642  -0.818
  704   1HG1  VAL  87          2HG1      VAL  87   7.950  -8.482   0.388
  705   2HG1  VAL  87          3HG1      VAL  87   6.414  -9.130   0.818
  706   3HG1  VAL  87          1HG1      VAL  87   7.850 -10.037   1.275
  707   1HG2  VAL  87          1HG2      VAL  87   5.423 -10.799  -1.022
  708   2HG2  VAL  87          2HG2      VAL  87   6.522 -12.133  -1.275
  709   3HG2  VAL  87          3HG2      VAL  87   6.212 -11.571   0.385
  710    H    ASP  88           H        ASP  88   7.277  -7.448  -3.779
  711    HA   ASP  88           HA       ASP  88  10.150  -7.017  -3.845
  712   1HB   ASP  88           HB1      ASP  88   8.333  -7.551  -5.758
  713   2HB   ASP  88           HB2      ASP  88   8.216  -5.770  -5.760
  714    H    GLY  89           H        GLY  89   9.579  -5.688  -1.659
  715   1HA   GLY  89           HA1      GLY  89   8.280  -3.193  -1.930
  716   2HA   GLY  89           HA2      GLY  89   9.204  -3.816  -0.504
  717    H    LEU  90           H        LEU  90   9.976  -3.052  -3.906
  718    HA   LEU  90           HA       LEU  90  11.797  -0.913  -3.229
  719   1HB   LEU  90           HB1      LEU  90  13.425  -2.722  -3.323
  720   2HB   LEU  90           HB2      LEU  90  12.470  -3.583  -4.519
  721    HG   LEU  90           HG       LEU  90  13.299  -1.281  -5.849
  722   1HD1  LEU  90          1HD1      LEU  90  14.613  -0.667  -3.991
  723   2HD1  LEU  90          2HD1      LEU  90  15.766  -1.951  -4.338
  724   3HD1  LEU  90          3HD1      LEU  90  15.452  -0.768  -5.589
  725   1HD2  LEU  90          3HD2      LEU  90  14.031  -4.233  -5.830
  726   2HD2  LEU  90          1HD2      LEU  90  13.479  -3.182  -7.147
  727   3HD2  LEU  90          2HD2      LEU  90  15.181  -3.182  -6.590
  728    H    GLY  91           H        GLY  91  10.408  -3.084  -5.892
  729   1HA   GLY  91           HA1      GLY  91   9.620  -0.977  -7.614
  730   2HA   GLY  91           HA2      GLY  91   8.877  -2.625  -7.417
  731    H    VAL  92           H        VAL  92   8.449  -1.910  -4.403
  732    HA   VAL  92           HA       VAL  92   5.733  -0.879  -4.881
  733    HB   VAL  92           HB       VAL  92   6.567  -2.243  -2.376
  734   1HG1  VAL  92          3HG1      VAL  92   4.503  -0.732  -2.616
  735   2HG1  VAL  92          1HG1      VAL  92   3.943  -2.105  -3.521
  736   3HG1  VAL  92          2HG1      VAL  92   4.432  -2.311  -1.813
  737   1HG2  VAL  92          1HG2      VAL  92   6.344  -3.393  -5.055
  738   2HG2  VAL  92          2HG2      VAL  92   6.838  -4.184  -3.563
  739   3HG2  VAL  92          3HG2      VAL  92   5.116  -4.045  -3.945
  740    H    LEU  93           H        LEU  93   8.823   0.015  -3.353
  741    HA   LEU  93           HA       LEU  93   7.917   2.434  -2.098
  742   1HB   LEU  93           HB1      LEU  93  10.170   1.080  -1.920
  743   2HB   LEU  93           HB2      LEU  93  10.658   1.986  -3.389
  744    HG   LEU  93           HG       LEU  93  11.590   3.276  -1.838
  745   1HD1  LEU  93          1HD1      LEU  93   8.936   4.406  -2.045
  746   2HD1  LEU  93          2HD1      LEU  93  10.319   5.345  -1.553
  747   3HD1  LEU  93          3HD1      LEU  93  10.315   4.646  -3.135
  748   1HD2  LEU  93          2HD2      LEU  93   9.977   1.844  -0.012
  749   2HD2  LEU  93          3HD2      LEU  93  11.167   3.030   0.500
  750   3HD2  LEU  93          1HD2      LEU  93   9.493   3.527   0.199
  751    H    LYS  94           H        LYS  94   9.583   1.772  -5.348
  752    HA   LYS  94           HA       LYS  94   9.197   4.257  -6.494
  753   1HB   LYS  94           HB1      LYS  94  10.518   2.322  -7.438
  754   2HB   LYS  94           HB2      LYS  94   8.968   1.662  -8.025
  755   1HG   LYS  94           HG1      LYS  94   8.854   4.290  -8.901
  756   2HG   LYS  94           HG2      LYS  94  10.588   3.865  -9.087
  757   1HD   LYS  94           HD1      LYS  94   9.692   3.263 -11.153
  758   2HD   LYS  94           HD2      LYS  94   9.678   1.720 -10.297
  759   1HE   LYS  94           HE1      LYS  94   7.336   1.768  -9.988
  760   2HE   LYS  94           HE2      LYS  94   7.258   3.558 -10.034
  761   1HZ   LYS  94           HZ1      LYS  94   7.845   3.427 -12.409
  762   2HZ   LYS  94           HZ2      LYS  94   7.625   1.740 -12.314
  763   3HZ   LYS  94           HZ3      LYS  94   6.300   2.782 -12.005
  764    H    ALA  95           H        ALA  95   6.977   1.441  -6.429
  765    HA   ALA  95           HA       ALA  95   5.201   2.499  -8.399
  766   1HB   ALA  95           HB3      ALA  95   5.750  -0.007  -7.363
  767   2HB   ALA  95           HB1      ALA  95   4.111   0.358  -6.700
  768   3HB   ALA  95           HB2      ALA  95   4.423   0.353  -8.443
  769    H    ALA  96           H        ALA  96   5.193   2.425  -4.828
  770    HA   ALA  96           HA       ALA  96   2.768   3.688  -4.274
  771   1HB   ALA  96           HB2      ALA  96   5.377   3.408  -2.956
  772   2HB   ALA  96           HB3      ALA  96   4.665   4.978  -2.628
  773   3HB   ALA  96           HB1      ALA  96   3.784   3.501  -2.228
  774    H    VAL  97           H        VAL  97   5.918   5.406  -4.712
  775    HA   VAL  97           HA       VAL  97   5.282   7.995  -4.886
  776    HB   VAL  97           HB       VAL  97   7.131   6.629  -6.837
  777   1HG1  VAL  97          2HG1      VAL  97   6.845   9.483  -6.167
  778   2HG1  VAL  97          3HG1      VAL  97   8.453   8.866  -6.508
  779   3HG1  VAL  97          1HG1      VAL  97   7.132   8.571  -7.671
  780   1HG2  VAL  97          1HG2      VAL  97   7.323   6.951  -3.906
  781   2HG2  VAL  97          2HG2      VAL  97   8.282   5.912  -4.952
  782   3HG2  VAL  97          3HG2      VAL  97   8.725   7.605  -4.790
  783    H    ALA  98           H        ALA  98   5.019   5.606  -7.610
  784    HA   ALA  98           HA       ALA  98   4.239   7.243  -9.635
  785   1HB   ALA  98           HB1      ALA  98   4.549   4.429  -9.279
  786   2HB   ALA  98           HB2      ALA  98   2.939   4.655  -9.959
  787   3HB   ALA  98           HB3      ALA  98   4.385   5.288 -10.769
  788    H    ALA  99           H        ALA  99   2.345   5.628  -7.096
  789    HA   ALA  99           HA       ALA  99  -0.268   6.089  -8.009
  790   1HB   ALA  99           HB2      ALA  99   0.402   4.550  -6.095
  791   2HB   ALA  99           HB3      ALA  99   0.617   5.983  -5.080
  792   3HB   ALA  99           HB1      ALA  99  -0.961   5.596  -5.733
  793    H    ILE 100           H        ILE 100   1.915   8.181  -6.042
  794    HA   ILE 100           HA       ILE 100  -0.179   9.926  -5.170
  795    HB   ILE 100           HB       ILE 100   1.073   9.935  -3.409
  796   1HG1  ILE 100          1HG1      ILE 100   3.237  11.399  -4.934
  797   2HG1  ILE 100          2HG1      ILE 100   1.710  12.248  -4.561
  798   1HG2  ILE 100          3HG2      ILE 100   3.327   8.821  -4.985
  799   2HG2  ILE 100          1HG2      ILE 100   3.416   9.333  -3.279
  800   3HG2  ILE 100          2HG2      ILE 100   2.303   8.042  -3.803
  801   1HD1  ILE 100           HD2      ILE 100   3.493  11.234  -2.282
  802   2HD1  ILE 100           HD3      ILE 100   3.885  12.626  -3.176
  803   3HD1  ILE 100           HD1      ILE 100   2.306  12.543  -2.358
  804    H    LYS 101           H        LYS 101   1.783   9.527  -7.945
  805    HA   LYS 101           HA       LYS 101   1.531  12.369  -8.698
  806   1HB   LYS 101           HB1      LYS 101   3.743  11.504  -9.130
  807   2HB   LYS 101           HB2      LYS 101   3.108  10.080  -9.972
  808   1HG   LYS 101           HG1      LYS 101   3.751  11.508 -11.765
  809   2HG   LYS 101           HG2      LYS 101   2.007  11.754 -11.642
  810   1HD   LYS 101           HD1      LYS 101   2.492  13.850 -10.280
  811   2HD   LYS 101           HD2      LYS 101   4.202  13.622 -10.730
  812   1HE   LYS 101           HE1      LYS 101   2.141  13.425 -12.954
  813   2HE   LYS 101           HE2      LYS 101   2.501  15.057 -12.313
  814   1HZ   LYS 101           HZ1      LYS 101   4.891  14.567 -12.652
  815   2HZ   LYS 101           HZ2      LYS 101   4.435  13.138 -13.462
  816   3HZ   LYS 101           HZ3      LYS 101   3.979  14.669 -14.093
  817    H    LYS 102           H        LYS 102   0.332   9.085  -9.432
  818    HA   LYS 102           HA       LYS 102  -1.476   9.961 -11.512
  819   1HB   LYS 102           HB1      LYS 102  -0.916   7.434 -10.081
  820   2HB   LYS 102           HB2      LYS 102  -2.587   7.659 -10.625
  821   1HG   LYS 102           HG1      LYS 102  -0.280   8.177 -12.556
  822   2HG   LYS 102           HG2      LYS 102  -0.877   6.538 -12.264
  823   1HD   LYS 102           HD1      LYS 102  -2.709   8.797 -13.176
  824   2HD   LYS 102           HD2      LYS 102  -1.876   7.661 -14.270
  825   1HE   LYS 102           HE1      LYS 102  -3.626   6.210 -13.916
  826   2HE   LYS 102           HE2      LYS 102  -3.038   6.042 -12.225
  827   1HZ   LYS 102           HZ1      LYS 102  -4.338   8.010 -11.693
  828   2HZ   LYS 102           HZ2      LYS 102  -4.990   8.023 -13.258
  829   3HZ   LYS 102           HZ3      LYS 102  -5.308   6.713 -12.224
  830    H    ALA 103           H        ALA 103  -1.340  10.725  -8.300
  831    HA   ALA 103           HA       ALA 103  -4.005  10.920  -7.467
  832   1HB   ALA 103           HB3      ALA 103  -1.554  12.616  -6.916
  833   2HB   ALA 103           HB1      ALA 103  -3.122  12.996  -6.196
  834   3HB   ALA 103           HB2      ALA 103  -2.355  11.434  -5.872
  835    H    ALA 104           H        ALA 104  -1.957  13.475  -9.057
  836    HA   ALA 104           HA       ALA 104  -3.983  15.426  -9.118
  837   1HB   ALA 104           HB1      ALA 104  -1.222  15.057 -10.166
  838   2HB   ALA 104           HB2      ALA 104  -2.177  16.340 -10.925
  839   3HB   ALA 104           HB3      ALA 104  -1.871  16.384  -9.191
  840    H    ALA 105           H        ALA 105  -4.836  16.532 -11.047
  841    HA   ALA 105           HA       ALA 105  -5.057  16.036 -13.585
  842   1HB   ALA 105           HB3      ALA 105  -6.106  13.597 -12.211
  843   2HB   ALA 105           HB1      ALA 105  -7.212  14.280 -13.418
  844   3HB   ALA 105           HB2      ALA 105  -5.570  13.805 -13.863
  845    H    ASN 106           H        ASN 106  -5.671  18.231 -12.611
  846    HA   ASN 106           HA       ASN 106  -7.109  19.913 -12.797
  847   1HB   ASN 106           HB1      ASN 106  -8.897  17.768 -13.960
  848   2HB   ASN 106           HB2      ASN 106  -9.318  19.502 -13.967
  849   1HD2  ASN 106          1HD2      ASN 106  -6.801  20.326 -16.424
  850   2HD2  ASN 106          2HD2      ASN 106  -7.457  20.981 -14.894
   
  No H/Q in entry =         850
  Start of MODEL    2
    1    H    MET   1           H        MET   1   9.086  16.870  13.901
    2    HA   MET   1           HA       MET   1  10.267  15.122  11.986
    3   1HB   MET   1           HB1      MET   1   9.544  13.840  14.640
    4   2HB   MET   1           HB2      MET   1  10.275  13.060  13.233
    5   1HG   MET   1           HG1      MET   1  12.173  13.348  14.467
    6   2HG   MET   1           HG2      MET   1  12.184  14.868  13.565
    7   1HE   MET   1           HE1      MET   1  11.270  13.019  16.532
    8   2HE   MET   1           HE2      MET   1  12.678  13.598  17.421
    9   3HE   MET   1           HE3      MET   1  11.071  14.097  17.946
   10    H    GLU   2           H        GLU   2   8.517  14.567  10.696
   11    HA   GLU   2           HA       GLU   2   5.866  14.195  11.898
   12   1HB   GLU   2           HB1      GLU   2   6.580  16.364   9.956
   13   2HB   GLU   2           HB2      GLU   2   4.986  15.585   9.810
   14   1HG   GLU   2           HG1      GLU   2   5.253  15.994  12.535
   15   2HG   GLU   2           HG2      GLU   2   5.962  17.438  11.811
   16    H    LYS   3           H        LYS   3   4.925  12.310  11.116
   17    HA   LYS   3           HA       LYS   3   6.479  10.912   8.982
   18   1HB   LYS   3           HB1      LYS   3   4.947   9.437  11.126
   19   2HB   LYS   3           HB2      LYS   3   6.164   8.881   9.958
   20   1HG   LYS   3           HG1      LYS   3   7.122  11.112  11.632
   21   2HG   LYS   3           HG2      LYS   3   6.741   9.623  12.523
   22   1HD   LYS   3           HD1      LYS   3   8.759   8.781  11.888
   23   2HD   LYS   3           HD2      LYS   3   8.128   8.773  10.225
   24   1HE   LYS   3           HE1      LYS   3   9.601  10.445   9.675
   25   2HE   LYS   3           HE2      LYS   3   8.858  11.506  10.918
   26   1HZ   LYS   3           HZ1      LYS   3  10.267  10.345  12.561
   27   2HZ   LYS   3           HZ2      LYS   3  11.063   9.574  11.279
   28   3HZ   LYS   3           HZ3      LYS   3  11.139  11.262  11.388
   29    H    LYS   4           H        LYS   4   5.333   9.005   8.046
   30    HA   LYS   4           HA       LYS   4   2.704   9.688   6.974
   31   1HB   LYS   4           HB1      LYS   4   4.996  10.678   5.662
   32   2HB   LYS   4           HB2      LYS   4   4.372   9.334   4.708
   33   1HG   LYS   4           HG1      LYS   4   3.035  11.130   3.893
   34   2HG   LYS   4           HG2      LYS   4   2.039  10.443   5.182
   35   1HD   LYS   4           HD1      LYS   4   1.873  12.421   6.124
   36   2HD   LYS   4           HD2      LYS   4   3.581  12.379   6.485
   37   1HE   LYS   4           HE1      LYS   4   2.305  13.307   3.822
   38   2HE   LYS   4           HE2      LYS   4   3.020  14.385   5.053
   39   1HZ   LYS   4           HZ1      LYS   4   5.129  13.159   4.747
   40   2HZ   LYS   4           HZ2      LYS   4   4.408  12.386   3.425
   41   3HZ   LYS   4           HZ3      LYS   4   4.606  14.076   3.376
   42    H    HIS   5           H        HIS   5   2.188   8.049   5.080
   43    HA   HIS   5           HA       HIS   5   2.852   5.416   6.203
   44   1HB   HIS   5           HB1      HIS   5   0.201   6.848   6.556
   45   2HB   HIS   5           HB2      HIS   5   0.235   5.070   6.496
   46    HD1  HIS   5           HD1      HIS   5  -0.636   6.079   9.151
   47    HD2  HIS   5           HD2      HIS   5   3.418   6.187   8.180
   48    HE1  HIS   5           HE1      HIS   5   0.767   6.411  11.368
   49    H    ILE   6           H        ILE   6   3.500   4.400   4.375
   50    HA   ILE   6           HA       ILE   6   1.678   3.982   2.158
   51    HB   ILE   6           HB       ILE   6   4.333   2.829   2.732
   52   1HG1  ILE   6          1HG1      ILE   6   3.615   5.355   1.570
   53   2HG1  ILE   6          2HG1      ILE   6   5.235   4.662   1.678
   54   1HG2  ILE   6          3HG2      ILE   6   3.074   1.131   1.745
   55   2HG2  ILE   6          1HG2      ILE   6   2.661   2.226   0.435
   56   3HG2  ILE   6          2HG2      ILE   6   4.372   1.708   0.747
   57   1HD1  ILE   6           HD3      ILE   6   4.684   3.432  -0.494
   58   2HD1  ILE   6           HD1      ILE   6   3.155   4.360  -0.429
   59   3HD1  ILE   6           HD2      ILE   6   4.729   5.186  -0.692
   60    H    TYR   7           H        TYR   7  -0.123   2.858   2.830
   61    HA   TYR   7           HA       TYR   7   0.132   0.590   4.710
   62   1HB   TYR   7           HB1      TYR   7  -2.264   2.280   4.193
   63   2HB   TYR   7           HB2      TYR   7  -2.357   0.650   4.872
   64    HD1  TYR   7           HD1      TYR   7   0.764   1.987   5.812
   65    HD2  TYR   7           HD2      TYR   7  -3.342   1.585   6.884
   66    HE1  TYR   7           HE1      TYR   7   1.228   3.269   7.957
   67    HE2  TYR   7           HE2      TYR   7  -3.029   3.223   8.797
   68    HH   TYR   7           HH       TYR   7  -1.494   4.050  10.185
   69    H    LEU   8           H        LEU   8  -0.859  -1.415   4.228
   70    HA   LEU   8           HA       LEU   8  -0.828  -2.069   1.307
   71   1HB   LEU   8           HB1      LEU   8   1.199  -2.561   3.387
   72   2HB   LEU   8           HB2      LEU   8   0.489  -4.116   2.902
   73    HG   LEU   8           HG       LEU   8   1.112  -2.866   0.487
   74   1HD1  LEU   8          1HD1      LEU   8   2.694  -1.519   2.312
   75   2HD1  LEU   8          2HD1      LEU   8   3.787  -2.450   1.358
   76   3HD1  LEU   8          3HD1      LEU   8   2.630  -1.461   0.525
   77   1HD2  LEU   8          2HD2      LEU   8   2.565  -5.030   2.113
   78   2HD2  LEU   8          3HD2      LEU   8   1.285  -5.281   0.945
   79   3HD2  LEU   8          1HD2      LEU   8   2.846  -4.626   0.377
   80    H    PHE   9           H        PHE   9  -3.110  -2.660   1.291
   81    HA   PHE   9           HA       PHE   9  -4.339  -3.697   3.766
   82   1HB   PHE   9           HB1      PHE   9  -5.271  -2.196   1.347
   83   2HB   PHE   9           HB2      PHE   9  -6.396  -2.951   2.496
   84    HD1  PHE   9           HD1      PHE   9  -6.675  -2.090   4.776
   85    HD2  PHE   9           HD2      PHE   9  -3.956  -0.287   1.921
   86    HE1  PHE   9           HE1      PHE   9  -6.084  -0.324   6.440
   87    HE2  PHE   9           HE2      PHE   9  -3.867   1.780   3.319
   88    HZ   PHE   9           HZ       PHE   9  -4.740   1.681   5.648
   89    H    SER  10           H        SER  10  -3.073  -5.918   2.821
   90    HA   SER  10           HA       SER  10  -3.492  -8.123   2.416
   91   1HB   SER  10           HB1      SER  10  -4.730  -7.006   4.543
   92   2HB   SER  10           HB2      SER  10  -6.151  -7.692   3.736
   93    HG   SER  10           HG       SER  10  -5.043  -9.128   5.281
   94    H    SER  11           H        SER  11  -6.412  -9.184   2.383
   95    HA   SER  11           HA       SER  11  -7.596  -9.550   0.203
   96   1HB   SER  11           HB1      SER  11  -5.266  -8.827  -0.948
   97   2HB   SER  11           HB2      SER  11  -4.910 -10.575  -0.738
   98    HG   SER  11           HG       SER  11  -5.856  -9.999  -2.814
   99    H    ALA  12           H        ALA  12  -4.688 -11.131   1.473
  100    HA   ALA  12           HA       ALA  12  -6.096 -13.617   2.030
  101   1HB   ALA  12           HB2      ALA  12  -4.127 -13.364  -0.156
  102   2HB   ALA  12           HB3      ALA  12  -3.795 -14.666   0.988
  103   3HB   ALA  12           HB1      ALA  12  -5.355 -14.593   0.152
  104    H    GLY  13           H        GLY  13  -4.883 -11.381   3.567
  105   1HA   GLY  13           HA1      GLY  13  -3.279 -10.780   5.086
  106   2HA   GLY  13           HA2      GLY  13  -3.784 -12.336   5.767
  107    H    MET  14           H        MET  14  -1.262 -10.836   3.602
  108    HA   MET  14           HA       MET  14   0.853 -10.603   4.394
  109   1HB   MET  14           HB1      MET  14   0.386 -13.203   5.948
  110   2HB   MET  14           HB2      MET  14   1.937 -12.285   5.929
  111   1HG   MET  14           HG1      MET  14   0.556 -10.239   6.652
  112   2HG   MET  14           HG2      MET  14  -0.738 -11.386   7.066
  113   1HE   MET  14           HE1      MET  14   0.742  -9.297   8.663
  114   2HE   MET  14           HE2      MET  14  -0.257 -10.174   9.861
  115   3HE   MET  14           HE3      MET  14   1.435  -9.898  10.204
  116    H    SER  15           H        SER  15  -0.234 -12.129   1.957
  117    HA   SER  15           HA       SER  15   2.449 -12.737   1.047
  118   1HB   SER  15           HB1      SER  15  -0.206 -13.221   0.097
  119   2HB   SER  15           HB2      SER  15   0.606 -12.161  -1.113
  120    HG   SER  15           HG       SER  15   0.795 -14.505  -1.479
  121    H    THR  16           H        THR  16   1.815 -10.307   2.468
  122    HA   THR  16           HA       THR  16   1.872  -8.110   0.508
  123    HB   THR  16           HB       THR  16  -0.494  -8.564   1.345
  124    HG1  THR  16           HG1      THR  16  -0.907  -6.239   1.376
  125   1HG2  THR  16          2HG2      THR  16   0.466  -7.312   3.906
  126   2HG2  THR  16          3HG2      THR  16  -1.173  -7.300   3.327
  127   3HG2  THR  16          1HG2      THR  16  -0.321  -8.864   3.656
  128    H    SER  17           H        SER  17   2.162  -9.182   3.944
  129    HA   SER  17           HA       SER  17   2.966  -6.797   5.197
  130   1HB   SER  17           HB1      SER  17   2.430  -9.486   5.818
  131   2HB   SER  17           HB2      SER  17   4.127  -9.291   6.260
  132    HG   SER  17           HG       SER  17   2.559  -8.779   7.980
  133    H    LEU  18           H        LEU  18   4.820  -9.337   3.468
  134    HA   LEU  18           HA       LEU  18   7.361  -8.485   4.500
  135   1HB   LEU  18           HB1      LEU  18   6.382 -10.709   2.524
  136   2HB   LEU  18           HB2      LEU  18   8.121 -10.476   2.944
  137    HG   LEU  18           HG       LEU  18   6.502 -10.922   5.304
  138   1HD1  LEU  18          2HD1      LEU  18   5.598 -12.619   3.171
  139   2HD1  LEU  18          3HD1      LEU  18   6.444 -13.478   4.447
  140   3HD1  LEU  18          1HD1      LEU  18   5.109 -12.383   4.835
  141   1HD2  LEU  18          3HD2      LEU  18   9.022 -11.120   5.122
  142   2HD2  LEU  18          1HD2      LEU  18   8.199 -12.617   5.694
  143   3HD2  LEU  18          2HD2      LEU  18   8.780 -12.466   4.027
  144    H    LEU  19           H        LEU  19   5.277  -7.774   1.820
  145    HA   LEU  19           HA       LEU  19   7.024  -6.632  -0.027
  146   1HB   LEU  19           HB1      LEU  19   4.171  -6.034   1.014
  147   2HB   LEU  19           HB2      LEU  19   4.864  -5.015  -0.211
  148    HG   LEU  19           HG       LEU  19   3.320  -7.275  -0.588
  149   1HD1  LEU  19          3HD1      LEU  19   4.699  -5.318  -2.221
  150   2HD1  LEU  19          1HD1      LEU  19   3.892  -6.736  -2.964
  151   3HD1  LEU  19          2HD1      LEU  19   2.970  -5.561  -2.051
  152   1HD2  LEU  19          3HD2      LEU  19   6.266  -7.832  -1.235
  153   2HD2  LEU  19          1HD2      LEU  19   5.109  -8.863  -0.440
  154   3HD2  LEU  19          2HD2      LEU  19   4.896  -8.589  -2.152
  155    H    VAL  20           H        VAL  20   5.182  -5.229   2.701
  156    HA   VAL  20           HA       VAL  20   6.233  -2.701   3.100
  157    HB   VAL  20           HB       VAL  20   4.764  -4.605   4.583
  158   1HG1  VAL  20          2HG1      VAL  20   7.059  -3.791   6.209
  159   2HG1  VAL  20          3HG1      VAL  20   5.478  -3.758   6.959
  160   3HG1  VAL  20          1HG1      VAL  20   6.006  -5.244   6.191
  161   1HG2  VAL  20          3HG2      VAL  20   5.243  -1.633   4.964
  162   2HG2  VAL  20          1HG2      VAL  20   3.887  -2.431   4.113
  163   3HG2  VAL  20          2HG2      VAL  20   4.028  -2.532   5.867
  164    H    SER  21           H        SER  21   7.599  -5.590   4.857
  165    HA   SER  21           HA       SER  21   9.637  -4.073   5.985
  166   1HB   SER  21           HB1      SER  21  10.629  -6.762   5.812
  167   2HB   SER  21           HB2      SER  21   9.791  -5.990   7.205
  168    HG   SER  21           HG       SER  21   8.852  -8.048   6.483
  169    H    LYS  22           H        LYS  22   9.395  -5.549   2.775
  170    HA   LYS  22           HA       LYS  22  12.177  -5.394   2.164
  171   1HB   LYS  22           HB1      LYS  22   9.679  -6.125   0.856
  172   2HB   LYS  22           HB2      LYS  22  10.814  -5.235  -0.225
  173   1HG   LYS  22           HG1      LYS  22  11.655  -7.312  -0.662
  174   2HG   LYS  22           HG2      LYS  22  12.534  -7.037   0.861
  175   1HD   LYS  22           HD1      LYS  22  10.738  -8.318   2.056
  176   2HD   LYS  22           HD2      LYS  22   9.929  -8.573   0.456
  177   1HE   LYS  22           HE1      LYS  22  11.320 -10.549   0.975
  178   2HE   LYS  22           HE2      LYS  22  12.198  -9.656  -0.308
  179   1HZ   LYS  22           HZ1      LYS  22  13.458  -8.576   1.509
  180   2HZ   LYS  22           HZ2      LYS  22  12.714  -9.620   2.614
  181   3HZ   LYS  22           HZ3      LYS  22  13.690 -10.282   1.360
  182    H    MET  23           H        MET  23   9.223  -3.827   1.120
  183    HA   MET  23           HA       MET  23   9.877  -1.616  -0.142
  184   1HB   MET  23           HB1      MET  23   7.585  -2.429   1.537
  185   2HB   MET  23           HB2      MET  23   7.731  -0.676   1.378
  186   1HG   MET  23           HG1      MET  23   8.083  -1.874  -1.284
  187   2HG   MET  23           HG2      MET  23   6.640  -2.458  -0.457
  188   1HE   MET  23           HE3      MET  23   4.744  -1.550  -0.172
  189   2HE   MET  23           HE1      MET  23   4.991  -0.139   0.813
  190   3HE   MET  23           HE2      MET  23   4.092   0.018  -0.706
  191    H    ARG  24           H        ARG  24   8.933  -1.401   3.362
  192    HA   ARG  24           HA       ARG  24   9.766   1.094   3.963
  193   1HB   ARG  24           HB1      ARG  24  10.398  -0.250   6.360
  194   2HB   ARG  24           HB2      ARG  24   8.860   0.484   5.895
  195   1HG   ARG  24           HG1      ARG  24   7.780  -1.539   5.522
  196   2HG   ARG  24           HG2      ARG  24   9.268  -2.417   5.128
  197   1HD   ARG  24           HD1      ARG  24   8.663  -3.178   7.304
  198   2HD   ARG  24           HD2      ARG  24   9.944  -1.960   7.606
  199    HE   ARG  24           HE       ARG  24   7.205  -0.923   7.399
  200   1HH1  ARG  24          2HH1      ARG  24   9.357  -2.442   9.593
  201   2HH1  ARG  24          1HH1      ARG  24   8.454  -1.677  11.088
  202   1HH2  ARG  24          2HH2      ARG  24   6.317  -0.114   9.136
  203   2HH2  ARG  24          1HH2      ARG  24   7.102  -0.382  10.853
  204    H    ALA  25           H        ALA  25  11.970  -1.766   3.824
  205    HA   ALA  25           HA       ALA  25  14.373  -0.594   4.337
  206   1HB   ALA  25           HB1      ALA  25  13.423  -2.812   2.694
  207   2HB   ALA  25           HB2      ALA  25  14.764  -1.996   1.853
  208   3HB   ALA  25           HB3      ALA  25  14.989  -2.625   3.483
  209    H    GLN  26           H        GLN  26  13.216  -0.585   0.865
  210    HA   GLN  26           HA       GLN  26  14.496   1.458  -0.250
  211    HB   GLN  26           HB1      GLN  26  11.638   2.223  -0.636
  212   2HB   GLN  26           HB2      GLN  26  12.857   1.644  -1.794
  213    HG   GLN  26           HG1      GLN  26  10.549   0.107  -0.527
  214   2HG   GLN  26           HG2      GLN  26  11.106   0.360  -2.172
  215   1HE2  GLN  26          1HE2      GLN  26  13.724  -2.246  -1.776
  216   2HE2  GLN  26          2HE2      GLN  26  13.580  -0.570  -2.444
  217    H    ALA  27           H        ALA  27  11.736   2.060   2.040
  218    HA   ALA  27           HA       ALA  27  11.595   4.830   1.643
  219   1HB   ALA  27           HB2      ALA  27  10.215   2.928   3.291
  220   2HB   ALA  27           HB3      ALA  27  10.703   4.319   4.300
  221   3HB   ALA  27           HB1      ALA  27   9.753   4.544   2.824
  222    H    GLU  28           H        GLU  28  13.171   3.001   4.323
  223    HA   GLU  28           HA       GLU  28  14.359   5.337   5.553
  224   1HB   GLU  28           HB1      GLU  28  15.142   2.441   6.159
  225   2HB   GLU  28           HB2      GLU  28  15.226   3.872   7.222
  226   1HG   GLU  28           HG1      GLU  28  12.700   3.961   7.244
  227   2HG   GLU  28           HG2      GLU  28  12.671   2.407   6.407
  228    H    LYS  29           H        LYS  29  15.323   2.664   3.351
  229    HA   LYS  29           HA       LYS  29  18.033   3.016   2.982
  230   1HB   LYS  29           HB1      LYS  29  17.007   1.214   1.934
  231   2HB   LYS  29           HB2      LYS  29  15.801   2.243   1.200
  232   1HG   LYS  29           HG1      LYS  29  17.120   2.812  -0.563
  233   2HG   LYS  29           HG2      LYS  29  18.601   2.926   0.479
  234   1HD   LYS  29           HD1      LYS  29  18.941   1.185  -1.149
  235   2HD   LYS  29           HD2      LYS  29  18.688   0.453   0.448
  236   1HE   LYS  29           HE1      LYS  29  16.434  -0.154  -0.025
  237   2HE   LYS  29           HE2      LYS  29  16.309   1.087  -1.335
  238   1HZ   LYS  29           HZ1      LYS  29  17.880  -0.266  -2.613
  239   2HZ   LYS  29           HZ2      LYS  29  17.804  -1.474  -1.407
  240   3HZ   LYS  29           HZ3      LYS  29  16.405  -1.100  -2.301
  241    H    TYR  30           H        TYR  30  15.345   5.023   2.248
  242    HA   TYR  30           HA       TYR  30  16.722   6.689   0.281
  243   1HB   TYR  30           HB1      TYR  30  13.774   6.230   0.841
  244   2HB   TYR  30           HB2      TYR  30  14.344   7.482  -0.274
  245    HD1  TYR  30           HD2      TYR  30  16.529   4.719  -0.443
  246    HD2  TYR  30           HD1      TYR  30  12.478   5.704  -1.459
  247    HE1  TYR  30           HE2      TYR  30  16.542   3.080  -2.348
  248    HE2  TYR  30           HE1      TYR  30  12.898   4.866  -3.830
  249    HH   TYR  30           HH       TYR  30  15.538   2.378  -4.154
  250    H    GLU  31           H        GLU  31  15.761   6.483   3.490
  251    HA   GLU  31           HA       GLU  31  16.078   7.837   5.206
  252   1HB   GLU  31           HB1      GLU  31  17.752   9.082   3.760
  253   2HB   GLU  31           HB2      GLU  31  16.447  10.184   3.254
  254   1HG   GLU  31           HG1      GLU  31  16.573   9.916   6.237
  255   2HG   GLU  31           HG2      GLU  31  18.074  10.583   5.514
  256    H    VAL  32           H        VAL  32  13.505   7.518   3.471
  257    HA   VAL  32           HA       VAL  32  12.180   9.994   3.286
  258    HB   VAL  32           HB       VAL  32  11.452   7.135   2.731
  259   1HG1  VAL  32          3HG1      VAL  32   9.439   9.339   2.581
  260   2HG1  VAL  32          1HG1      VAL  32   9.489   7.909   1.587
  261   3HG1  VAL  32          2HG1      VAL  32   9.392   7.787   3.356
  262   1HG2  VAL  32          2HG2      VAL  32  12.288   9.545   1.005
  263   2HG2  VAL  32          3HG2      VAL  32  12.750   7.829   0.880
  264   3HG2  VAL  32          1HG2      VAL  32  11.139   8.351   0.353
  265    HA   PRO  33           HA       PRO  33  10.133   9.760   7.198
  266   1HB   PRO  33           HB1      PRO  33   8.205  11.754   6.927
  267   2HB   PRO  33           HB2      PRO  33   9.912  12.048   7.213
  268   1HG   PRO  33           HG1      PRO  33   8.341  12.054   4.640
  269   2HG   PRO  33           HG2      PRO  33   9.642  13.194   5.070
  270   1HD   PRO  33           HD2      PRO  33  10.089  10.979   3.336
  271   2HD   PRO  33           HD1      PRO  33  11.346  11.708   4.374
  272    H    VAL  34           H        VAL  34   9.013   7.884   5.231
  273    HA   VAL  34           HA       VAL  34   6.187   7.789   6.134
  274    HB   VAL  34           HB       VAL  34   6.561   8.178   3.657
  275   1HG1  VAL  34          1HG1      VAL  34   8.292   6.072   3.725
  276   2HG1  VAL  34          2HG1      VAL  34   6.859   5.465   2.842
  277   3HG1  VAL  34          3HG1      VAL  34   7.666   6.901   2.269
  278   1HG2  VAL  34          2HG2      VAL  34   4.837   5.957   4.752
  279   2HG2  VAL  34          3HG2      VAL  34   4.381   7.572   4.135
  280   3HG2  VAL  34          1HG2      VAL  34   4.914   6.292   3.030
  281    H    ILE  35           H        ILE  35   5.594   6.074   7.330
  282    HA   ILE  35           HA       ILE  35   7.117   3.671   7.751
  283    HB   ILE  35           HB       ILE  35   4.533   4.683   8.765
  284   1HG1  ILE  35          1HG1      ILE  35   6.507   4.779  10.900
  285   2HG1  ILE  35          2HG1      ILE  35   7.277   5.472   9.412
  286   1HG2  ILE  35          1HG2      ILE  35   4.476   2.398   8.725
  287   2HG2  ILE  35          2HG2      ILE  35   5.707   2.312  10.044
  288   3HG2  ILE  35          3HG2      ILE  35   4.166   3.126  10.312
  289   1HD1  ILE  35           HD1      ILE  35   4.544   6.200  10.257
  290   2HD1  ILE  35           HD2      ILE  35   5.911   7.079  10.972
  291   3HD1  ILE  35           HD3      ILE  35   5.723   7.099   9.258
  292    H    ILE  36           H        ILE  36   6.635   1.808   6.539
  293    HA   ILE  36           HA       ILE  36   4.283   1.637   4.744
  294    HB   ILE  36           HB       ILE  36   6.481  -0.266   4.684
  295   1HG1  ILE  36          1HG1      ILE  36   6.564   2.659   4.007
  296   2HG1  ILE  36          2HG1      ILE  36   7.908   1.585   4.472
  297   1HG2  ILE  36          2HG2      ILE  36   4.276  -0.513   3.558
  298   2HG2  ILE  36          3HG2      ILE  36   4.818   0.801   2.495
  299   3HG2  ILE  36          1HG2      ILE  36   5.773  -0.660   2.592
  300   1HD1  ILE  36           HD2      ILE  36   6.680   1.330   1.664
  301   2HD1  ILE  36           HD3      ILE  36   7.786   2.599   2.082
  302   3HD1  ILE  36           HD1      ILE  36   8.255   0.887   2.311
  303    H    GLU  37           H        GLU  37   2.523   0.784   5.804
  304    HA   GLU  37           HA       GLU  37   2.863  -1.601   7.566
  305   1HB   GLU  37           HB1      GLU  37   0.993   0.788   7.987
  306   2HB   GLU  37           HB2      GLU  37   0.708  -0.809   8.718
  307   1HG   GLU  37           HG1      GLU  37   3.231   0.830   9.130
  308   2HG   GLU  37           HG2      GLU  37   1.853   0.748  10.260
  309    H    ALA  38           H        ALA  38   1.651  -3.318   7.095
  310    HA   ALA  38           HA       ALA  38  -0.121  -3.175   4.793
  311   1HB   ALA  38           HB3      ALA  38   2.063  -4.588   4.920
  312   2HB   ALA  38           HB1      ALA  38   1.148  -5.706   5.937
  313   3HB   ALA  38           HB2      ALA  38   0.605  -5.412   4.275
  314    H    PHE  39           H        PHE  39  -2.240  -3.749   4.940
  315    HA   PHE  39           HA       PHE  39  -3.363  -4.177   7.636
  316   1HB   PHE  39           HB1      PHE  39  -3.768  -2.092   5.587
  317   2HB   PHE  39           HB2      PHE  39  -5.140  -2.535   6.663
  318    HD1  PHE  39           HD2      PHE  39  -1.597  -1.424   6.693
  319    HD2  PHE  39           HD1      PHE  39  -5.396  -1.429   8.733
  320    HE1  PHE  39           HE2      PHE  39  -0.861   0.426   8.241
  321    HE2  PHE  39           HE1      PHE  39  -4.254  -0.519  10.783
  322    HZ   PHE  39           HZ       PHE  39  -1.935   0.510  10.486
  323    HA   PRO  40           HA       PRO  40  -6.527  -6.505   5.360
  324   1HB   PRO  40           HB1      PRO  40  -8.334  -7.036   7.309
  325   2HB   PRO  40           HB2      PRO  40  -6.734  -7.840   7.226
  326   1HG   PRO  40           HG1      PRO  40  -7.671  -5.591   9.068
  327   2HG   PRO  40           HG2      PRO  40  -6.485  -6.862   9.389
  328   1HD   PRO  40           HD2      PRO  40  -5.897  -4.153   8.404
  329   2HD   PRO  40           HD1      PRO  40  -4.740  -5.495   8.667
  330    H    GLU  41           H        GLU  41  -7.696  -5.739   3.840
  331    HA   GLU  41           HA       GLU  41  -8.083  -3.279   3.259
  332   1HB   GLU  41           HB1      GLU  41 -10.040  -3.863   1.812
  333   2HB   GLU  41           HB2      GLU  41  -8.713  -5.083   1.761
  334   1HG   GLU  41           HG1      GLU  41 -10.097  -6.263   3.638
  335   2HG   GLU  41           HG2      GLU  41 -11.464  -5.364   2.963
  336    H    THR  42           H        THR  42 -10.927  -4.843   4.904
  337    HA   THR  42           HA       THR  42 -12.739  -3.364   5.667
  338    HB   THR  42           HB       THR  42 -12.943  -4.747   7.317
  339    HG1  THR  42           HG1      THR  42 -11.905  -4.189   9.434
  340   1HG2  THR  42          3HG2      THR  42 -10.399  -5.475   6.584
  341   2HG2  THR  42          1HG2      THR  42 -10.506  -5.468   8.385
  342   3HG2  THR  42          2HG2      THR  42 -11.609  -6.431   7.453
  343    H    LEU  43           H        LEU  43  -9.424  -2.211   6.524
  344    HA   LEU  43           HA       LEU  43 -10.424  -0.268   8.539
  345   1HB   LEU  43           HB1      LEU  43  -8.100  -2.082   7.971
  346   2HB   LEU  43           HB2      LEU  43  -7.529  -0.458   8.236
  347    HG   LEU  43           HG       LEU  43  -7.898  -0.526  10.449
  348   1HD1  LEU  43          2HD1      LEU  43 -10.265  -0.409  10.417
  349   2HD1  LEU  43          3HD1      LEU  43 -10.328  -2.151  10.243
  350   3HD1  LEU  43          1HD1      LEU  43  -9.593  -1.447  11.692
  351   1HD2  LEU  43          3HD2      LEU  43  -7.745  -3.448   9.574
  352   2HD2  LEU  43          1HD2      LEU  43  -6.476  -2.476  10.235
  353   3HD2  LEU  43          2HD2      LEU  43  -7.890  -3.027  11.251
  354    H    ALA  44           H        ALA  44  -9.267  -0.493   5.217
  355    HA   ALA  44           HA       ALA  44  -7.318   1.364   4.984
  356   1HB   ALA  44           HB3      ALA  44  -9.482   0.459   3.095
  357   2HB   ALA  44           HB1      ALA  44  -8.221   1.596   2.551
  358   3HB   ALA  44           HB2      ALA  44  -7.768  -0.010   3.033
  359    H    GLY  45           H        GLY  45 -10.861   1.765   4.955
  360   1HA   GLY  45           HA1      GLY  45 -11.347   4.343   4.324
  361   2HA   GLY  45           HA2      GLY  45 -12.182   3.426   5.621
  362    H    GLU  46           H        GLU  46 -10.594   3.158   7.602
  363    HA   GLU  46           HA       GLU  46 -10.382   5.897   8.729
  364   1HB   GLU  46           HB1      GLU  46 -10.690   3.135   9.931
  365   2HB   GLU  46           HB2      GLU  46 -10.255   4.567  10.894
  366   1HG   GLU  46           HG1      GLU  46 -12.583   5.210   9.316
  367   2HG   GLU  46           HG2      GLU  46 -12.836   3.636  10.053
  368    H    LYS  47           H        LYS  47  -8.443   2.961   7.949
  369    HA   LYS  47           HA       LYS  47  -6.170   3.870   9.465
  370   1HB   LYS  47           HB1      LYS  47  -7.179   1.399   8.429
  371   2HB   LYS  47           HB2      LYS  47  -5.531   1.606   7.773
  372   1HG   LYS  47           HG1      LYS  47  -5.789   0.444  10.121
  373   2HG   LYS  47           HG2      LYS  47  -4.504   1.636   9.894
  374   1HD   LYS  47           HD1      LYS  47  -5.618   3.276  11.151
  375   2HD   LYS  47           HD2      LYS  47  -7.170   2.423  11.136
  376   1HE   LYS  47           HE1      LYS  47  -6.543   1.054  12.932
  377   2HE   LYS  47           HE2      LYS  47  -4.897   0.747  12.255
  378   1HZ   LYS  47           HZ1      LYS  47  -4.312   3.001  12.963
  379   2HZ   LYS  47           HZ2      LYS  47  -5.835   3.116  13.730
  380   3HZ   LYS  47           HZ3      LYS  47  -4.703   1.927  14.244
  381    H    GLY  48           H        GLY  48  -6.822   2.920   6.058
  382   1HA   GLY  48           HA1      GLY  48  -4.618   4.113   4.914
  383   2HA   GLY  48           HA2      GLY  48  -6.157   3.700   4.092
  384    H    GLN  49           H        GLN  49  -7.587   5.618   6.082
  385    HA   GLN  49           HA       GLN  49  -7.258   8.262   5.228
  386   1HB   GLN  49           HB1      GLN  49  -9.130   7.792   6.581
  387   2HB   GLN  49           HB2      GLN  49  -8.171   6.824   7.694
  388   1HG   GLN  49           HG1      GLN  49  -7.425   8.694   8.876
  389   2HG   GLN  49           HG2      GLN  49  -7.667   9.745   7.468
  390   1HE2  GLN  49          1HE2      GLN  49 -10.701   9.103  10.079
  391   2HE2  GLN  49          2HE2      GLN  49  -9.179   8.251  10.311
  392    H    ASN  50           H        ASN  50  -5.952   6.527   8.110
  393    HA   ASN  50           HA       ASN  50  -3.996   8.476   8.848
  394   1HB   ASN  50           HB1      ASN  50  -4.574   5.593   9.560
  395   2HB   ASN  50           HB2      ASN  50  -3.122   6.389  10.220
  396   1HD2  ASN  50          1HD2      ASN  50  -4.951   8.511  12.436
  397   2HD2  ASN  50          2HD2      ASN  50  -3.436   8.490  11.510
  398    H    ALA  51           H        ALA  51  -4.104   6.242   6.249
  399    HA   ALA  51           HA       ALA  51  -1.299   6.133   5.631
  400   1HB   ALA  51           HB1      ALA  51  -3.808   5.843   3.951
  401   2HB   ALA  51           HB2      ALA  51  -2.173   5.700   3.282
  402   3HB   ALA  51           HB3      ALA  51  -2.733   4.543   4.541
  403    H    ASP  52           H        ASP  52  -0.358   7.321   3.793
  404    HA   ASP  52           HA       ASP  52  -1.608   9.845   2.956
  405   1HB   ASP  52           HB1      ASP  52   0.879   9.449   4.083
  406   2HB   ASP  52           HB2      ASP  52   1.254   9.518   2.352
  407    H    VAL  53           H        VAL  53  -1.020   6.634   2.103
  408    HA   VAL  53           HA       VAL  53  -0.971   6.865  -0.709
  409    HB   VAL  53           HB       VAL  53   1.703   5.770  -0.146
  410   1HG1  VAL  53          3HG1      VAL  53   0.659   7.555  -2.350
  411   2HG1  VAL  53          1HG1      VAL  53   2.359   7.355  -1.899
  412   3HG1  VAL  53          2HG1      VAL  53   1.353   5.943  -2.338
  413   1HG2  VAL  53          1HG2      VAL  53   1.505   7.756   1.537
  414   2HG2  VAL  53          2HG2      VAL  53   2.898   7.684   0.469
  415   3HG2  VAL  53          3HG2      VAL  53   1.635   8.801   0.081
  416    H    VAL  54           H        VAL  54  -2.392   5.168  -0.756
  417    HA   VAL  54           HA       VAL  54  -2.082   2.959   1.183
  418    HB   VAL  54           HB       VAL  54  -4.491   4.112  -0.180
  419   1HG1  VAL  54          3HG1      VAL  54  -4.360   1.467   1.211
  420   2HG1  VAL  54          1HG1      VAL  54  -5.751   2.551   1.336
  421   3HG1  VAL  54          2HG1      VAL  54  -5.136   1.962  -0.259
  422   1HG2  VAL  54          3HG2      VAL  54  -3.590   5.301   1.945
  423   2HG2  VAL  54          1HG2      VAL  54  -5.224   4.596   2.137
  424   3HG2  VAL  54          2HG2      VAL  54  -3.829   3.787   2.822
  425    H    LEU  55           H        LEU  55  -1.870   0.809   0.455
  426    HA   LEU  55           HA       LEU  55  -2.218   0.181  -2.415
  427   1HB   LEU  55           HB1      LEU  55  -0.325  -0.812  -0.139
  428   2HB   LEU  55           HB2      LEU  55  -0.352  -1.556  -1.795
  429    HG   LEU  55           HG       LEU  55   1.093   0.763  -0.766
  430   1HD1  LEU  55          2HD1      LEU  55   2.244  -1.269  -1.503
  431   2HD1  LEU  55          3HD1      LEU  55   1.738  -0.859  -3.119
  432   3HD1  LEU  55          1HD1      LEU  55   2.761   0.253  -2.200
  433   1HD2  LEU  55          3HD2      LEU  55  -0.640   1.780  -2.538
  434   2HD2  LEU  55          1HD2      LEU  55   1.093   2.169  -2.588
  435   3HD2  LEU  55          2HD2      LEU  55   0.395   0.929  -3.658
  436    H    LEU  56           H        LEU  56  -3.490  -1.650  -2.791
  437    HA   LEU  56           HA       LEU  56  -4.635  -3.139  -0.527
  438   1HB   LEU  56           HB1      LEU  56  -6.528  -2.363  -2.752
  439   2HB   LEU  56           HB2      LEU  56  -6.827  -2.514  -1.019
  440    HG   LEU  56           HG       LEU  56  -5.406  -0.160  -2.214
  441   1HD1  LEU  56          3HD1      LEU  56  -8.137  -0.808  -2.453
  442   2HD1  LEU  56          1HD1      LEU  56  -7.763   0.829  -1.770
  443   3HD1  LEU  56          2HD1      LEU  56  -7.206   0.357  -3.370
  444   1HD2  LEU  56          2HD2      LEU  56  -6.635  -1.056   0.420
  445   2HD2  LEU  56          3HD2      LEU  56  -5.142  -0.180   0.217
  446   3HD2  LEU  56          1HD2      LEU  56  -6.648   0.672   0.002
  447    H    GLY  57           H        GLY  57  -4.792  -5.371  -0.922
  448   1HA   GLY  57           HA1      GLY  57  -3.232  -6.770  -2.479
  449   2HA   GLY  57           HA2      GLY  57  -4.842  -7.318  -1.972
  450    HA   PRO  58           HA       PRO  58  -5.023  -6.829  -6.647
  451   1HB   PRO  58           HB1      PRO  58  -3.077  -8.144  -7.909
  452   2HB   PRO  58           HB2      PRO  58  -2.698  -6.641  -7.011
  453   1HG   PRO  58           HG1      PRO  58  -2.411  -9.572  -6.119
  454   2HG   PRO  58           HG2      PRO  58  -1.212  -8.262  -5.987
  455   1HD   PRO  58           HD2      PRO  58  -3.070  -8.931  -3.863
  456   2HD   PRO  58           HD1      PRO  58  -2.271  -7.326  -4.022
  457    H    GLN  59           H        GLN  59  -5.591  -9.337  -4.681
  458    HA   GLN  59           HA       GLN  59  -7.216 -10.634  -6.740
  459   1HB   GLN  59           HB1      GLN  59  -7.112 -11.400  -3.819
  460   2HB   GLN  59           HB2      GLN  59  -7.411 -12.458  -5.230
  461   1HG   GLN  59           HG1      GLN  59  -5.049 -12.432  -5.830
  462   2HG   GLN  59           HG2      GLN  59  -4.711 -11.217  -4.589
  463   1HE2  GLN  59          1HE2      GLN  59  -4.252 -13.605  -2.068
  464   2HE2  GLN  59          2HE2      GLN  59  -4.022 -11.930  -2.624
  465    H    ILE  60           H        ILE  60  -7.125  -8.157  -4.366
  466    HA   ILE  60           HA       ILE  60 -10.000  -8.286  -3.652
  467    HB   ILE  60           HB       ILE  60  -9.046  -8.533  -1.717
  468   1HG1  ILE  60          1HG1      ILE  60 -10.235  -5.956  -2.242
  469   2HG1  ILE  60          2HG1      ILE  60 -10.071  -6.726  -0.651
  470   1HG2  ILE  60          1HG2      ILE  60  -6.804  -8.393  -2.454
  471   2HG2  ILE  60          2HG2      ILE  60  -6.812  -6.638  -2.096
  472   3HG2  ILE  60          3HG2      ILE  60  -7.037  -7.778  -0.809
  473   1HD1  ILE  60           HD3      ILE  60  -7.855  -5.545  -0.407
  474   2HD1  ILE  60           HD1      ILE  60  -8.207  -4.836  -2.018
  475   3HD1  ILE  60           HD2      ILE  60  -9.180  -4.418  -0.592
  476    H    ALA  61           H        ALA  61  -8.088  -6.987  -5.952
  477    HA   ALA  61           HA       ALA  61  -8.118  -4.468  -6.443
  478   1HB   ALA  61           HB2      ALA  61  -7.980  -6.304  -8.171
  479   2HB   ALA  61           HB3      ALA  61  -9.741  -6.408  -8.170
  480   3HB   ALA  61           HB1      ALA  61  -8.946  -4.944  -8.744
  481    H    TYR  62           H        TYR  62 -11.272  -6.231  -6.107
  482    HA   TYR  62           HA       TYR  62 -12.944  -4.425  -7.377
  483   1HB   TYR  62           HB1      TYR  62 -14.741  -5.755  -6.520
  484   2HB   TYR  62           HB2      TYR  62 -13.385  -6.803  -6.956
  485    HD1  TYR  62           HD1      TYR  62 -11.800  -5.992  -4.292
  486    HD2  TYR  62           HD2      TYR  62 -15.759  -7.437  -5.192
  487    HE1  TYR  62           HE1      TYR  62 -11.789  -7.282  -2.151
  488    HE2  TYR  62           HE2      TYR  62 -15.896  -8.435  -2.888
  489    HH   TYR  62           HH       TYR  62 -14.751  -9.158  -1.159
  490    H    MET  63           H        MET  63 -11.430  -4.113  -4.285
  491    HA   MET  63           HA       MET  63 -13.752  -3.112  -2.747
  492   1HB   MET  63           HB1      MET  63 -11.077  -4.248  -1.992
  493   2HB   MET  63           HB2      MET  63 -11.977  -3.169  -0.871
  494   1HG   MET  63           HG1      MET  63 -13.634  -5.270  -2.096
  495   2HG   MET  63           HG2      MET  63 -12.349  -5.862  -1.039
  496   1HE   MET  63           HE2      MET  63 -11.729  -4.524   1.126
  497   2HE   MET  63           HE3      MET  63 -12.506  -2.964   1.255
  498   3HE   MET  63           HE1      MET  63 -13.019  -4.245   2.339
  499    H    LEU  64           H        LEU  64 -10.611  -2.146  -4.142
  500    HA   LEU  64           HA       LEU  64  -9.822   0.173  -2.937
  501   1HB   LEU  64           HB1      LEU  64  -8.397  -0.306  -4.733
  502   2HB   LEU  64           HB2      LEU  64  -9.686  -1.247  -5.551
  503    HG   LEU  64           HG       LEU  64 -10.557   1.003  -6.370
  504   1HD1  LEU  64          1HD1      LEU  64  -8.112   1.958  -5.175
  505   2HD1  LEU  64          2HD1      LEU  64  -8.613   2.725  -6.676
  506   3HD1  LEU  64          3HD1      LEU  64  -9.766   2.658  -5.338
  507   1HD2  LEU  64          3HD2      LEU  64  -8.255  -0.698  -7.320
  508   2HD2  LEU  64          1HD2      LEU  64  -9.721  -0.189  -8.157
  509   3HD2  LEU  64          2HD2      LEU  64  -8.320   0.918  -8.031
  510    HA   PRO  65           HA       PRO  65 -13.390   2.244  -5.778
  511   1HB   PRO  65           HB1      PRO  65 -15.046  -0.261  -5.228
  512   2HB   PRO  65           HB2      PRO  65 -15.394   0.943  -6.472
  513   1HG   PRO  65           HG1      PRO  65 -14.012  -1.239  -7.235
  514   2HG   PRO  65           HG2      PRO  65 -13.266   0.323  -7.708
  515   1HD   PRO  65           HD2      PRO  65 -12.663  -1.462  -5.250
  516   2HD   PRO  65           HD1      PRO  65 -11.492  -0.649  -6.339
  517    H    GLU  66           H        GLU  66 -13.826   0.146  -3.125
  518    HA   GLU  66           HA       GLU  66 -15.933   1.641  -1.778
  519   1HB   GLU  66           HB1      GLU  66 -15.379  -1.053  -2.039
  520   2HB   GLU  66           HB2      GLU  66 -14.702  -0.673  -0.439
  521   1HG   GLU  66           HG1      GLU  66 -16.804  -0.638   0.490
  522   2HG   GLU  66           HG2      GLU  66 -17.312   0.606  -0.680
  523    H    ILE  67           H        ILE  67 -12.510   0.591  -1.439
  524    HA   ILE  67           HA       ILE  67 -11.573   1.787   0.891
  525    HB   ILE  67           HB       ILE  67 -10.207   1.630  -1.780
  526   1HG1  ILE  67          1HG1      ILE  67 -10.586  -0.610  -1.120
  527   2HG1  ILE  67          2HG1      ILE  67  -8.954  -0.228  -0.569
  528   1HG2  ILE  67          2HG2      ILE  67  -9.440   3.293   0.161
  529   2HG2  ILE  67          3HG2      ILE  67  -8.390   1.885   0.400
  530   3HG2  ILE  67          1HG2      ILE  67  -8.552   2.616  -1.220
  531   1HD1  ILE  67           HD1      ILE  67 -10.614   0.291   1.604
  532   2HD1  ILE  67           HD2      ILE  67 -11.168  -1.277   1.018
  533   3HD1  ILE  67           HD3      ILE  67  -9.500  -1.068   1.458
  534    H    GLN  68           H        GLN  68 -12.020   3.282  -2.327
  535    HA   GLN  68           HA       GLN  68 -11.203   5.959  -1.560
  536   1HB   GLN  68           HB1      GLN  68 -12.650   4.718  -3.965
  537   2HB   GLN  68           HB2      GLN  68 -12.098   6.415  -3.920
  538   1HG   GLN  68           HG1      GLN  68  -9.993   4.387  -3.317
  539   2HG   GLN  68           HG2      GLN  68 -10.707   4.258  -4.919
  540   1HE2  GLN  68          1HE2      GLN  68  -8.314   7.471  -3.990
  541   2HE2  GLN  68          2HE2      GLN  68  -9.074   6.595  -2.638
  542    H    ARG  69           H        ARG  69 -14.312   4.144  -1.603
  543    HA   ARG  69           HA       ARG  69 -16.076   6.382  -1.907
  544   1HB   ARG  69           HB1      ARG  69 -16.272   3.591  -1.938
  545   2HB   ARG  69           HB2      ARG  69 -17.343   4.124  -0.609
  546   1HG   ARG  69           HG1      ARG  69 -18.630   4.097  -2.664
  547   2HG   ARG  69           HG2      ARG  69 -18.365   5.802  -2.170
  548   1HD   ARG  69           HD1      ARG  69 -17.736   6.124  -4.297
  549   2HD   ARG  69           HD2      ARG  69 -16.191   5.351  -3.810
  550    HE   ARG  69           HE       ARG  69 -17.390   3.134  -4.519
  551   1HH1  ARG  69          2HH1      ARG  69 -17.447   6.132  -6.159
  552   2HH1  ARG  69          1HH1      ARG  69 -18.281   5.367  -7.649
  553   1HH2  ARG  69          2HH2      ARG  69 -18.075   2.347  -6.342
  554   2HH2  ARG  69          1HH2      ARG  69 -18.293   3.494  -7.873
  555    H    LEU  70           H        LEU  70 -14.494   4.743   0.830
  556    HA   LEU  70           HA       LEU  70 -15.776   6.264   2.911
  557   1HB   LEU  70           HB1      LEU  70 -13.353   4.327   2.640
  558   2HB   LEU  70           HB2      LEU  70 -13.936   4.962   4.216
  559    HG   LEU  70           HG       LEU  70 -15.822   3.388   2.609
  560   1HD1  LEU  70          2HD1      LEU  70 -13.565   2.121   2.469
  561   2HD1  LEU  70          3HD1      LEU  70 -14.052   1.670   4.053
  562   3HD1  LEU  70          1HD1      LEU  70 -15.192   1.445   2.686
  563   1HD2  LEU  70          2HD2      LEU  70 -16.377   4.415   4.855
  564   2HD2  LEU  70          3HD2      LEU  70 -16.439   2.654   4.953
  565   3HD2  LEU  70          1HD2      LEU  70 -15.022   3.479   5.555
  566    H    LEU  71           H        LEU  71 -12.565   5.965   1.214
  567    HA   LEU  71           HA       LEU  71 -11.545   8.406   2.587
  568   1HB   LEU  71           HB1      LEU  71 -10.084   6.846   3.565
  569   2HB   LEU  71           HB2      LEU  71 -10.781   5.531   2.585
  570    HG   LEU  71           HG       LEU  71  -9.031   6.273   0.768
  571   1HD1  LEU  71          3HD1      LEU  71  -8.661   8.425   1.548
  572   2HD1  LEU  71          1HD1      LEU  71  -7.905   7.712   3.039
  573   3HD1  LEU  71          2HD1      LEU  71  -7.129   7.563   1.476
  574   1HD2  LEU  71          3HD2      LEU  71  -8.948   4.270   2.629
  575   2HD2  LEU  71          1HD2      LEU  71  -7.681   4.645   1.524
  576   3HD2  LEU  71          2HD2      LEU  71  -7.584   5.314   3.159
  577    HA   PRO  72           HA       PRO  72 -11.871   8.450  -2.006
  578   1HB   PRO  72           HB1      PRO  72 -13.329  10.673  -2.364
  579   2HB   PRO  72           HB2      PRO  72 -14.028   9.213  -1.626
  580   1HG   PRO  72           HG1      PRO  72 -12.706  11.654  -0.219
  581   2HG   PRO  72           HG2      PRO  72 -14.353  11.094   0.016
  582   1HD   PRO  72           HD2      PRO  72 -12.331  10.155   1.683
  583   2HD   PRO  72           HD1      PRO  72 -13.542   8.957   1.100
  584    H    ASN  73           H        ASN  73  -9.855  10.442  -0.240
  585    HA   ASN  73           HA       ASN  73  -9.138  12.218  -2.526
  586   1HB   ASN  73           HB1      ASN  73  -9.361  13.103   0.383
  587   2HB   ASN  73           HB2      ASN  73  -8.996  14.115  -1.035
  588   1HD2  ASN  73          1HD2      ASN  73 -12.701  14.083   0.135
  589   2HD2  ASN  73          2HD2      ASN  73 -11.207  14.236   1.066
  590    H    LYS  74           H        LYS  74  -7.670   9.912  -2.119
  591    HA   LYS  74           HA       LYS  74  -5.056  10.839  -1.054
  592   1HB   LYS  74           HB1      LYS  74  -6.656   8.516  -0.140
  593   2HB   LYS  74           HB2      LYS  74  -4.871   8.463  -0.092
  594   1HG   LYS  74           HG1      LYS  74  -5.425  11.009   0.997
  595   2HG   LYS  74           HG2      LYS  74  -6.791  10.068   1.580
  596   1HD   LYS  74           HD1      LYS  74  -5.026   8.352   2.461
  597   2HD   LYS  74           HD2      LYS  74  -3.858   9.646   2.167
  598   1HE   LYS  74           HE1      LYS  74  -6.237   9.755   4.098
  599   2HE   LYS  74           HE2      LYS  74  -4.527  10.109   4.373
  600   1HZ   LYS  74           HZ1      LYS  74  -4.754  11.941   2.785
  601   2HZ   LYS  74           HZ2      LYS  74  -6.423  11.668   2.818
  602   3HZ   LYS  74           HZ3      LYS  74  -5.663  12.132   4.240
  603    HA   PRO  75           HA       PRO  75  -3.778   8.097  -4.352
  604   1HB   PRO  75           HB1      PRO  75  -1.079   7.938  -3.955
  605   2HB   PRO  75           HB2      PRO  75  -1.878   9.416  -4.478
  606   1HG   PRO  75           HG1      PRO  75  -0.937   8.645  -1.688
  607   2HG   PRO  75           HG2      PRO  75  -0.946  10.277  -2.429
  608   1HD   PRO  75           HD2      PRO  75  -3.005   9.263  -0.646
  609   2HD   PRO  75           HD1      PRO  75  -3.118  10.729  -1.635
  610    H    VAL  76           H        VAL  76  -5.012   6.396  -3.704
  611    HA   VAL  76           HA       VAL  76  -3.715   4.081  -2.393
  612    HB   VAL  76           HB       VAL  76  -5.825   4.356  -1.497
  613   1HG1  VAL  76          1HG1      VAL  76  -6.611   6.093  -2.756
  614   2HG1  VAL  76          2HG1      VAL  76  -7.227   4.970  -4.020
  615   3HG1  VAL  76          3HG1      VAL  76  -7.887   4.902  -2.398
  616   1HG2  VAL  76          2HG2      VAL  76  -5.713   2.172  -3.511
  617   2HG2  VAL  76          3HG2      VAL  76  -6.176   2.118  -1.843
  618   3HG2  VAL  76          1HG2      VAL  76  -7.347   2.700  -3.073
  619    H    GLU  77           H        GLU  77  -3.334   2.174  -3.439
  620    HA   GLU  77           HA       GLU  77  -4.037   1.667  -6.176
  621   1HB   GLU  77           HB1      GLU  77  -1.165   2.209  -5.293
  622   2HB   GLU  77           HB2      GLU  77  -1.459   1.001  -6.580
  623   1HG   GLU  77           HG1      GLU  77  -3.053   3.147  -7.386
  624   2HG   GLU  77           HG2      GLU  77  -1.611   3.946  -6.684
  625    H    VAL  78           H        VAL  78  -4.339  -0.455  -6.603
  626    HA   VAL  78           HA       VAL  78  -3.659  -2.529  -4.683
  627    HB   VAL  78           HB       VAL  78  -5.684  -2.914  -5.603
  628   1HG1  VAL  78          2HG1      VAL  78  -4.890  -1.903  -8.307
  629   2HG1  VAL  78          3HG1      VAL  78  -6.317  -2.856  -8.046
  630   3HG1  VAL  78          1HG1      VAL  78  -6.095  -1.387  -7.125
  631   1HG2  VAL  78          1HG2      VAL  78  -3.680  -4.498  -7.166
  632   2HG2  VAL  78          2HG2      VAL  78  -4.598  -5.063  -5.766
  633   3HG2  VAL  78          3HG2      VAL  78  -5.408  -4.805  -7.308
  634    H    ILE  79           H        ILE  79  -2.222  -4.238  -5.119
  635    HA   ILE  79           HA       ILE  79   0.319  -3.471  -6.191
  636    HB   ILE  79           HB       ILE  79  -0.382  -6.067  -4.977
  637   1HG1  ILE  79          1HG1      ILE  79   0.428  -3.515  -3.471
  638   2HG1  ILE  79          2HG1      ILE  79  -1.190  -4.245  -3.475
  639   1HG2  ILE  79          1HG2      ILE  79   2.108  -4.789  -5.703
  640   2HG2  ILE  79          2HG2      ILE  79   2.107  -5.691  -4.161
  641   3HG2  ILE  79          3HG2      ILE  79   1.720  -6.515  -5.642
  642   1HD1  ILE  79           HD2      ILE  79   0.315  -6.338  -2.575
  643   2HD1  ILE  79           HD3      ILE  79   1.165  -4.970  -1.945
  644   3HD1  ILE  79           HD1      ILE  79  -0.609  -5.106  -1.702
  645    H    ASP  80           H        ASP  80   1.461  -5.432  -7.489
  646    HA   ASP  80           HA       ASP  80  -0.246  -6.951  -9.266
  647   1HB   ASP  80           HB1      ASP  80   2.657  -6.229  -9.097
  648   2HB   ASP  80           HB2      ASP  80   2.354  -7.923  -9.552
  649    H    SER  81           H        SER  81   0.480  -9.389  -9.358
  650    HA   SER  81           HA       SER  81  -0.596 -10.297  -6.790
  651   1HB   SER  81           HB1      SER  81  -2.208 -10.322  -8.600
  652   2HB   SER  81           HB2      SER  81  -1.033 -11.087  -9.715
  653    HG   SER  81           HG       SER  81  -2.643 -12.585  -8.862
  654    H    LEU  82           H        LEU  82   1.691 -10.822  -9.435
  655    HA   LEU  82           HA       LEU  82   2.955 -13.229  -8.446
  656   1HB   LEU  82           HB1      LEU  82   2.959 -11.318 -10.756
  657   2HB   LEU  82           HB2      LEU  82   4.573 -11.874 -10.370
  658    HG   LEU  82           HG       LEU  82   2.607 -14.072 -10.435
  659   1HD1  LEU  82          1HD1      LEU  82   2.361 -12.364 -12.766
  660   2HD1  LEU  82          2HD1      LEU  82   2.059 -14.095 -12.868
  661   3HD1  LEU  82          3HD1      LEU  82   1.207 -13.188 -11.649
  662   1HD2  LEU  82          3HD2      LEU  82   5.412 -13.890 -10.915
  663   2HD2  LEU  82          1HD2      LEU  82   4.329 -15.250 -11.078
  664   3HD2  LEU  82          2HD2      LEU  82   4.738 -14.237 -12.507
  665    H    LEU  83           H        LEU  83   3.850  -9.673  -8.841
  666    HA   LEU  83           HA       LEU  83   6.375  -9.612  -7.588
  667   1HB   LEU  83           HB1      LEU  83   3.993  -7.789  -8.245
  668   2HB   LEU  83           HB2      LEU  83   5.338  -7.131  -7.269
  669    HG   LEU  83           HG       LEU  83   5.440  -6.417  -9.569
  670   1HD1  LEU  83          2HD1      LEU  83   7.803  -7.744  -8.423
  671   2HD1  LEU  83          3HD1      LEU  83   7.798  -7.274 -10.114
  672   3HD1  LEU  83          1HD1      LEU  83   7.399  -6.090  -8.873
  673   1HD2  LEU  83          1HD2      LEU  83   5.412  -9.425 -10.001
  674   2HD2  LEU  83          2HD2      LEU  83   4.674  -8.148 -10.990
  675   3HD2  LEU  83          3HD2      LEU  83   6.387  -8.497 -11.109
  676    H    TYR  84           H        TYR  84   2.973  -9.233  -6.482
  677    HA   TYR  84           HA       TYR  84   3.147  -8.565  -3.845
  678   1HB   TYR  84           HB1      TYR  84   1.109  -8.721  -5.200
  679   2HB   TYR  84           HB2      TYR  84   1.155 -10.494  -5.077
  680    HD1  TYR  84           HD1      TYR  84   2.024  -8.070  -2.373
  681    HD2  TYR  84           HD2      TYR  84  -0.795 -10.954  -3.954
  682    HE1  TYR  84           HE1      TYR  84   0.401  -7.530  -0.549
  683    HE2  TYR  84           HE2      TYR  84  -1.970 -11.000  -1.703
  684    HH   TYR  84           HH       TYR  84  -2.391  -9.774   0.096
  685    H    GLY  85           H        GLY  85   2.579 -12.018  -4.874
  686   1HA   GLY  85           HA1      GLY  85   3.342 -12.945  -2.236
  687   2HA   GLY  85           HA2      GLY  85   2.510 -13.835  -3.577
  688    H    LYS  86           H        LYS  86   5.334 -12.463  -4.886
  689    HA   LYS  86           HA       LYS  86   7.150 -14.466  -3.569
  690   1HB   LYS  86           HB1      LYS  86   8.423 -13.455  -5.949
  691   2HB   LYS  86           HB2      LYS  86   8.105 -15.120  -5.389
  692   1HG   LYS  86           HG1      LYS  86   6.534 -15.421  -6.936
  693   2HG   LYS  86           HG2      LYS  86   5.621 -13.956  -6.437
  694   1HD   LYS  86           HD1      LYS  86   7.847 -14.172  -8.464
  695   2HD   LYS  86           HD2      LYS  86   6.167 -13.648  -8.754
  696   1HE   LYS  86           HE1      LYS  86   6.740 -11.813  -6.890
  697   2HE   LYS  86           HE2      LYS  86   8.420 -12.179  -7.373
  698   1HZ   LYS  86           HZ1      LYS  86   7.782 -11.772  -9.674
  699   2HZ   LYS  86           HZ2      LYS  86   6.260 -11.210  -9.134
  700   3HZ   LYS  86           HZ3      LYS  86   7.689 -10.391  -8.682
  701    H    VAL  87           H        VAL  87   6.170 -11.259  -3.576
  702    HA   VAL  87           HA       VAL  87   6.641  -9.813  -1.995
  703    HB   VAL  87           HB       VAL  87   7.897 -12.192  -1.197
  704   1HG1  VAL  87          1HG1      VAL  87   9.831 -10.021  -0.772
  705   2HG1  VAL  87          2HG1      VAL  87   9.822 -11.606   0.088
  706   3HG1  VAL  87          3HG1      VAL  87  10.032 -11.552  -1.627
  707   1HG2  VAL  87          3HG2      VAL  87   6.076 -10.761  -0.075
  708   2HG2  VAL  87          1HG2      VAL  87   7.345 -11.365   1.020
  709   3HG2  VAL  87          2HG2      VAL  87   7.347  -9.697   0.533
  710    H    ASP  88           H        ASP  88   7.045  -8.364  -3.774
  711    HA   ASP  88           HA       ASP  88   9.789  -7.316  -3.923
  712   1HB   ASP  88           HB1      ASP  88   9.249  -6.196  -5.889
  713   2HB   ASP  88           HB2      ASP  88   8.442  -7.771  -6.056
  714    H    GLY  89           H        GLY  89  10.081  -5.893  -2.103
  715   1HA   GLY  89           HA1      GLY  89   8.561  -3.435  -2.377
  716   2HA   GLY  89           HA2      GLY  89   9.523  -3.855  -0.958
  717    H    LEU  90           H        LEU  90   9.485  -2.864  -4.266
  718    HA   LEU  90           HA       LEU  90  11.632  -1.143  -4.059
  719   1HB   LEU  90           HB1      LEU  90  12.807  -3.520  -4.265
  720   2HB   LEU  90           HB2      LEU  90  12.109  -3.542  -5.926
  721    HG   LEU  90           HG       LEU  90  13.720  -1.185  -5.503
  722   1HD1  LEU  90          1HD1      LEU  90  14.970  -3.571  -4.429
  723   2HD1  LEU  90          2HD1      LEU  90  15.973  -2.404  -5.232
  724   3HD1  LEU  90          3HD1      LEU  90  15.007  -1.875  -3.919
  725   1HD2  LEU  90          1HD2      LEU  90  13.667  -3.549  -7.369
  726   2HD2  LEU  90          2HD2      LEU  90  13.384  -1.848  -7.725
  727   3HD2  LEU  90          3HD2      LEU  90  15.022  -2.461  -7.442
  728    H    GLY  91           H        GLY  91   9.867  -3.382  -6.286
  729   1HA   GLY  91           HA1      GLY  91   9.063  -1.267  -8.110
  730   2HA   GLY  91           HA2      GLY  91   8.565  -2.962  -8.105
  731    H    VAL  92           H        VAL  92   7.752  -2.856  -5.227
  732    HA   VAL  92           HA       VAL  92   5.070  -1.858  -5.338
  733    HB   VAL  92           HB       VAL  92   6.645  -3.083  -3.165
  734   1HG1  VAL  92          3HG1      VAL  92   4.660  -1.367  -2.431
  735   2HG1  VAL  92          1HG1      VAL  92   3.856  -2.918  -2.666
  736   3HG1  VAL  92          2HG1      VAL  92   5.188  -2.783  -1.557
  737   1HG2  VAL  92          2HG2      VAL  92   5.214  -4.066  -5.441
  738   2HG2  VAL  92          3HG2      VAL  92   5.855  -4.966  -4.134
  739   3HG2  VAL  92          1HG2      VAL  92   4.189  -4.291  -4.021
  740    H    LEU  93           H        LEU  93   8.017  -0.615  -3.596
  741    HA   LEU  93           HA       LEU  93   7.037   1.874  -2.791
  742   1HB   LEU  93           HB1      LEU  93   9.298   1.017  -2.180
  743   2HB   LEU  93           HB2      LEU  93   9.825   0.974  -3.877
  744    HG   LEU  93           HG       LEU  93   9.437   3.470  -3.874
  745   1HD1  LEU  93          1HD1      LEU  93   8.490   3.304  -1.477
  746   2HD1  LEU  93          2HD1      LEU  93  10.151   3.794  -1.037
  747   3HD1  LEU  93          3HD1      LEU  93   9.215   4.747  -2.184
  748   1HD2  LEU  93          2HD2      LEU  93  11.689   1.739  -3.331
  749   2HD2  LEU  93          3HD2      LEU  93  11.703   3.337  -4.106
  750   3HD2  LEU  93          1HD2      LEU  93  11.896   3.225  -2.351
  751    H    LYS  94           H        LYS  94   9.041   1.306  -5.877
  752    HA   LYS  94           HA       LYS  94   8.897   3.677  -7.097
  753   1HB   LYS  94           HB1      LYS  94   9.632   1.191  -7.881
  754   2HB   LYS  94           HB2      LYS  94   8.295   1.529  -8.997
  755   1HG   LYS  94           HG1      LYS  94  10.404   2.368  -9.970
  756   2HG   LYS  94           HG2      LYS  94   9.406   3.779  -9.493
  757   1HD   LYS  94           HD1      LYS  94  11.194   2.997  -7.358
  758   2HD   LYS  94           HD2      LYS  94  12.072   3.292  -8.898
  759   1HE   LYS  94           HE1      LYS  94  10.730   5.457  -9.135
  760   2HE   LYS  94           HE2      LYS  94  10.120   5.211  -7.460
  761   1HZ   LYS  94           HZ1      LYS  94  12.490   5.027  -6.781
  762   2HZ   LYS  94           HZ2      LYS  94  12.929   5.551  -8.331
  763   3HZ   LYS  94           HZ3      LYS  94  11.996   6.596  -7.342
  764    H    ALA  95           H        ALA  95   6.196   1.305  -7.004
  765    HA   ALA  95           HA       ALA  95   4.591   2.594  -8.957
  766   1HB   ALA  95           HB3      ALA  95   4.413   0.186  -7.309
  767   2HB   ALA  95           HB1      ALA  95   2.858   0.998  -7.441
  768   3HB   ALA  95           HB2      ALA  95   3.730   0.543  -8.906
  769    H    ALA  96           H        ALA  96   4.714   2.592  -5.397
  770    HA   ALA  96           HA       ALA  96   2.610   4.286  -4.709
  771   1HB   ALA  96           HB1      ALA  96   5.284   3.686  -3.474
  772   2HB   ALA  96           HB2      ALA  96   4.154   4.879  -2.733
  773   3HB   ALA  96           HB3      ALA  96   3.669   3.187  -2.968
  774    H    VAL  97           H        VAL  97   6.076   5.177  -5.386
  775    HA   VAL  97           HA       VAL  97   5.987   7.933  -5.188
  776    HB   VAL  97           HB       VAL  97   7.675   6.087  -6.841
  777   1HG1  VAL  97          2HG1      VAL  97   7.539   8.586  -7.676
  778   2HG1  VAL  97          3HG1      VAL  97   8.800   8.770  -6.504
  779   3HG1  VAL  97          1HG1      VAL  97   8.972   7.475  -7.699
  780   1HG2  VAL  97          1HG2      VAL  97   7.651   6.294  -4.193
  781   2HG2  VAL  97          2HG2      VAL  97   9.217   6.236  -4.960
  782   3HG2  VAL  97          3HG2      VAL  97   8.552   7.797  -4.464
  783    H    ALA  98           H        ALA  98   5.329   5.781  -7.988
  784    HA   ALA  98           HA       ALA  98   4.551   7.701  -9.937
  785   1HB   ALA  98           HB2      ALA  98   4.933   4.952  -9.799
  786   2HB   ALA  98           HB3      ALA  98   3.198   5.098 -10.088
  787   3HB   ALA  98           HB1      ALA  98   4.372   5.820 -11.217
  788    H    ALA  99           H        ALA  99   2.916   6.357  -7.122
  789    HA   ALA  99           HA       ALA  99   0.240   7.191  -7.917
  790   1HB   ALA  99           HB2      ALA  99   1.038   5.160  -6.279
  791   2HB   ALA  99           HB3      ALA  99   0.835   6.427  -5.080
  792   3HB   ALA  99           HB1      ALA  99  -0.515   5.929  -6.114
  793    H    ILE 100           H        ILE 100   3.040   8.590  -6.468
  794    HA   ILE 100           HA       ILE 100   2.026  10.580  -4.769
  795    HB   ILE 100           HB       ILE 100   4.573   9.834  -5.963
  796   1HG1  ILE 100          1HG1      ILE 100   3.274   9.705  -3.305
  797   2HG1  ILE 100          2HG1      ILE 100   4.587   8.712  -3.986
  798   1HG2  ILE 100          1HG2      ILE 100   4.015  12.543  -4.985
  799   2HG2  ILE 100          2HG2      ILE 100   5.643  11.874  -4.896
  800   3HG2  ILE 100          3HG2      ILE 100   4.847  12.013  -6.456
  801   1HD1  ILE 100           HD2      ILE 100   6.179  10.717  -3.321
  802   2HD1  ILE 100           HD3      ILE 100   4.851  11.199  -2.324
  803   3HD1  ILE 100           HD1      ILE 100   5.542   9.545  -2.182
  804    H    LYS 101           H        LYS 101   3.011  10.020  -8.073
  805    HA   LYS 101           HA       LYS 101   2.353  12.719  -8.975
  806   1HB   LYS 101           HB1      LYS 101   4.446  11.874  -9.733
  807   2HB   LYS 101           HB2      LYS 101   3.680  10.418 -10.403
  808   1HG   LYS 101           HG1      LYS 101   2.788  11.598 -12.238
  809   2HG   LYS 101           HG2      LYS 101   2.721  13.143 -11.328
  810   1HD   LYS 101           HD1      LYS 101   5.474  12.292 -11.676
  811   2HD   LYS 101           HD2      LYS 101   4.657  12.321 -13.244
  812   1HE   LYS 101           HE1      LYS 101   4.215  14.630 -11.307
  813   2HE   LYS 101           HE2      LYS 101   5.651  14.613 -12.360
  814   1HZ   LYS 101           HZ1      LYS 101   4.104  14.252 -14.227
  815   2HZ   LYS 101           HZ2      LYS 101   2.801  14.525 -13.143
  816   3HZ   LYS 101           HZ3      LYS 101   3.927  15.775 -13.452
  817    H    LYS 102           H        LYS 102   0.777   9.674  -8.656
  818    HA   LYS 102           HA       LYS 102  -1.348  10.440 -10.507
  819   1HB   LYS 102           HB1      LYS 102  -0.850   8.080 -10.216
  820   2HB   LYS 102           HB2      LYS 102  -1.259   8.199  -8.480
  821   1HG   LYS 102           HG1      LYS 102  -3.469   8.052  -8.869
  822   2HG   LYS 102           HG2      LYS 102  -3.423   9.294 -10.144
  823   1HD   LYS 102           HD1      LYS 102  -2.406   7.281 -11.569
  824   2HD   LYS 102           HD2      LYS 102  -3.306   6.291 -10.390
  825   1HE   LYS 102           HE1      LYS 102  -5.302   6.848 -11.453
  826   2HE   LYS 102           HE2      LYS 102  -4.955   8.585 -11.194
  827   1HZ   LYS 102           HZ1      LYS 102  -3.508   8.489 -13.166
  828   2HZ   LYS 102           HZ2      LYS 102  -4.037   6.888 -13.458
  829   3HZ   LYS 102           HZ3      LYS 102  -5.166   8.200 -13.494
  830    H    ALA 103           H        ALA 103  -0.269  11.272  -7.415
  831    HA   ALA 103           HA       ALA 103  -2.409  11.714  -5.788
  832   1HB   ALA 103           HB2      ALA 103   0.266  12.798  -6.036
  833   2HB   ALA 103           HB3      ALA 103  -0.882  14.053  -5.523
  834   3HB   ALA 103           HB1      ALA 103  -0.702  12.532  -4.605
  835    H    ALA 104           H        ALA 104  -1.380  13.487  -8.672
  836    HA   ALA 104           HA       ALA 104  -4.014  14.355  -9.225
  837   1HB   ALA 104           HB1      ALA 104  -2.811  16.123  -7.548
  838   2HB   ALA 104           HB2      ALA 104  -2.326  16.796  -9.105
  839   3HB   ALA 104           HB3      ALA 104  -4.032  16.597  -8.700
  840    H    ALA 105           H        ALA 105  -3.352  16.565 -11.007
  841    HA   ALA 105           HA       ALA 105  -2.245  17.070 -12.908
  842   1HB   ALA 105           HB2      ALA 105  -1.033  14.402 -12.564
  843   2HB   ALA 105           HB3      ALA 105  -1.413  14.749 -14.250
  844   3HB   ALA 105           HB1      ALA 105  -0.386  15.851 -13.320
  845    H    ASN 106           H        ASN 106  -3.796  13.806 -12.926
  846    HA   ASN 106           HA       ASN 106  -4.908  14.216 -15.582
  847   1HB   ASN 106           HB1      ASN 106  -4.244  11.887 -13.891
  848   2HB   ASN 106           HB2      ASN 106  -5.812  11.716 -14.685
  849   1HD2  ASN 106          1HD2      ASN 106  -4.134  11.986 -18.026
  850   2HD2  ASN 106          2HD2      ASN 106  -5.481  12.839 -17.224
   
  No H/Q in entry =         850
  Start of MODEL    3
    1    H    MET   1           H        MET   1   9.908  16.693   6.275
    2    HA   MET   1           HA       MET   1   8.512  18.975   7.184
    3   1HB   MET   1           HB1      MET   1   6.975  16.778   5.780
    4   2HB   MET   1           HB2      MET   1   6.174  17.675   7.071
    5   1HG   MET   1           HG1      MET   1   5.647  19.160   5.456
    6   2HG   MET   1           HG2      MET   1   7.300  19.717   5.672
    7   1HE   MET   1           HE3      MET   1   8.149  20.576   3.910
    8   2HE   MET   1           HE1      MET   1   9.272  19.261   3.484
    9   3HE   MET   1           HE2      MET   1   8.265  20.030   2.247
   10    H    GLU   2           H        GLU   2   7.522  15.490   7.462
   11    HA   GLU   2           HA       GLU   2   9.084  15.155   9.904
   12   1HB   GLU   2           HB1      GLU   2   6.984  13.943  10.933
   13   2HB   GLU   2           HB2      GLU   2   7.155  15.683  11.078
   14   1HG   GLU   2           HG1      GLU   2   5.306  16.151   9.854
   15   2HG   GLU   2           HG2      GLU   2   5.694  14.942   8.609
   16    H    LYS   3           H        LYS   3   6.555  13.479   7.834
   17    HA   LYS   3           HA       LYS   3   8.038  11.391   6.758
   18   1HB   LYS   3           HB1      LYS   3   7.257   9.593   8.620
   19   2HB   LYS   3           HB2      LYS   3   8.889  10.340   8.499
   20   1HG   LYS   3           HG1      LYS   3   8.604  11.494  10.413
   21   2HG   LYS   3           HG2      LYS   3   6.966  12.032   9.971
   22   1HD   LYS   3           HD1      LYS   3   6.911  10.630  12.077
   23   2HD   LYS   3           HD2      LYS   3   6.053   9.813  10.725
   24   1HE   LYS   3           HE1      LYS   3   8.086   8.505  10.233
   25   2HE   LYS   3           HE2      LYS   3   9.024   9.401  11.462
   26   1HZ   LYS   3           HZ1      LYS   3   7.341   8.622  13.071
   27   2HZ   LYS   3           HZ2      LYS   3   6.667   7.615  11.864
   28   3HZ   LYS   3           HZ3      LYS   3   8.267   7.355  12.418
   29    H    LYS   4           H        LYS   4   6.748   9.976   5.603
   30    HA   LYS   4           HA       LYS   4   3.887  10.533   5.623
   31   1HB   LYS   4           HB1      LYS   4   5.353   9.046   3.462
   32   2HB   LYS   4           HB2      LYS   4   3.719   9.711   3.413
   33   1HG   LYS   4           HG1      LYS   4   5.126  11.962   4.228
   34   2HG   LYS   4           HG2      LYS   4   6.319  11.197   3.135
   35   1HD   LYS   4           HD1      LYS   4   5.202  12.362   1.511
   36   2HD   LYS   4           HD2      LYS   4   3.920  11.146   1.634
   37   1HE   LYS   4           HE1      LYS   4   2.605  12.907   2.274
   38   2HE   LYS   4           HE2      LYS   4   3.432  12.820   3.860
   39   1HZ   LYS   4           HZ1      LYS   4   5.098  14.308   3.011
   40   2HZ   LYS   4           HZ2      LYS   4   4.228  14.502   1.561
   41   3HZ   LYS   4           HZ3      LYS   4   3.563  15.049   3.013
   42    H    HIS   5           H        HIS   5   2.528   8.594   4.796
   43    HA   HIS   5           HA       HIS   5   3.267   6.035   6.126
   44   1HB   HIS   5           HB1      HIS   5   0.446   7.104   6.308
   45   2HB   HIS   5           HB2      HIS   5   1.253   5.780   7.198
   46    HD1  HIS   5           HD1      HIS   5   0.220   9.169   7.915
   47    HD2  HIS   5           HD2      HIS   5   3.848   7.176   8.307
   48    HE1  HIS   5           HE1      HIS   5   1.368  10.089  10.117
   49    H    ILE   6           H        ILE   6   3.754   4.937   4.302
   50    HA   ILE   6           HA       ILE   6   1.883   4.719   2.121
   51    HB   ILE   6           HB       ILE   6   4.705   3.741   2.525
   52   1HG1  ILE   6          1HG1      ILE   6   3.532   4.933   0.001
   53   2HG1  ILE   6          2HG1      ILE   6   3.895   5.989   1.366
   54   1HG2  ILE   6          3HG2      ILE   6   2.856   2.017   1.129
   55   2HG2  ILE   6          1HG2      ILE   6   4.257   2.580   0.218
   56   3HG2  ILE   6          2HG2      ILE   6   4.458   1.807   1.818
   57   1HD1  ILE   6           HD3      ILE   6   5.970   4.071   0.286
   58   2HD1  ILE   6           HD1      ILE   6   5.604   5.682  -0.454
   59   3HD1  ILE   6           HD2      ILE   6   6.268   5.521   1.177
   60    H    TYR   7           H        TYR   7   0.110   3.835   2.853
   61    HA   TYR   7           HA       TYR   7   0.054   1.370   4.529
   62   1HB   TYR   7           HB1      TYR   7  -2.038   3.469   3.899
   63   2HB   TYR   7           HB2      TYR   7  -2.493   1.855   4.504
   64    HD1  TYR   7           HD1      TYR   7   0.622   2.389   5.984
   65    HD2  TYR   7           HD2      TYR   7  -3.520   3.470   6.209
   66    HE1  TYR   7           HE1      TYR   7   1.150   4.007   7.865
   67    HE2  TYR   7           HE2      TYR   7  -3.076   4.649   8.421
   68    HH   TYR   7           HH       TYR   7  -1.598   4.956  10.050
   69    H    LEU   8           H        LEU   8  -0.939  -0.487   3.976
   70    HA   LEU   8           HA       LEU   8  -1.660  -1.031   1.197
   71   1HB   LEU   8           HB1      LEU   8   0.417  -2.213   3.073
   72   2HB   LEU   8           HB2      LEU   8  -0.502  -3.378   2.074
   73    HG   LEU   8           HG       LEU   8   0.395  -1.526   0.282
   74   1HD1  LEU   8          1HD1      LEU   8   1.995  -1.058   2.420
   75   2HD1  LEU   8          2HD1      LEU   8   3.031  -1.819   1.254
   76   3HD1  LEU   8          3HD1      LEU   8   2.107  -0.445   0.737
   77   1HD2  LEU   8          3HD2      LEU   8   0.401  -4.249   0.560
   78   2HD2  LEU   8          1HD2      LEU   8   1.375  -3.445  -0.662
   79   3HD2  LEU   8          2HD2      LEU   8   2.098  -3.955   0.914
   80    H    PHE   9           H        PHE   9  -3.362  -2.784   1.150
   81    HA   PHE   9           HA       PHE   9  -4.649  -3.443   3.674
   82   1HB   PHE   9           HB1      PHE   9  -5.794  -1.821   1.434
   83   2HB   PHE   9           HB2      PHE   9  -6.816  -2.563   2.721
   84    HD1  PHE   9           HD2      PHE   9  -5.716  -2.148   5.138
   85    HD2  PHE   9           HD1      PHE   9  -5.197   0.361   1.663
   86    HE1  PHE   9           HE2      PHE   9  -5.128  -0.230   6.653
   87    HE2  PHE   9           HE1      PHE   9  -4.850   2.346   3.154
   88    HZ   PHE   9           HZ       PHE   9  -4.548   1.971   5.635
   89    H    SER  10           H        SER  10  -4.945  -5.781   3.646
   90    HA   SER  10           HA       SER  10  -3.882  -7.023   1.147
   91   1HB   SER  10           HB1      SER  10  -2.447  -7.642   2.714
   92   2HB   SER  10           HB2      SER  10  -3.521  -7.242   4.076
   93    HG   SER  10           HG       SER  10  -2.918  -9.518   3.867
   94    H    SER  11           H        SER  11  -4.356  -9.670   1.653
   95    HA   SER  11           HA       SER  11  -7.136 -10.219   1.391
   96   1HB   SER  11           HB1      SER  11  -5.693  -9.195  -0.993
   97   2HB   SER  11           HB2      SER  11  -6.264 -10.891  -1.267
   98    HG   SER  11           HG       SER  11  -7.755  -9.227  -1.946
   99    H    ALA  12           H        ALA  12  -3.963 -11.275   0.032
  100    HA   ALA  12           HA       ALA  12  -4.528 -14.027   0.803
  101   1HB   ALA  12           HB3      ALA  12  -4.155 -13.645  -1.629
  102   2HB   ALA  12           HB1      ALA  12  -2.534 -13.075  -1.257
  103   3HB   ALA  12           HB2      ALA  12  -2.969 -14.750  -0.892
  104    H    GLY  13           H        GLY  13  -3.700 -13.504   3.086
  105   1HA   GLY  13           HA1      GLY  13  -2.023 -13.614   4.638
  106   2HA   GLY  13           HA2      GLY  13  -1.530 -14.956   3.557
  107    H    MET  14           H        MET  14   0.637 -14.853   2.927
  108    HA   MET  14           HA       MET  14   2.108 -12.488   3.910
  109   1HB   MET  14           HB1      MET  14   2.622 -15.408   3.750
  110   2HB   MET  14           HB2      MET  14   4.002 -14.336   3.402
  111   1HG   MET  14           HG1      MET  14   4.242 -14.610   5.661
  112   2HG   MET  14           HG2      MET  14   3.252 -13.140   5.630
  113   1HE   MET  14           HE2      MET  14   3.619 -14.244   8.127
  114   2HE   MET  14           HE3      MET  14   2.107 -13.383   8.215
  115   3HE   MET  14           HE1      MET  14   2.180 -15.051   8.820
  116    H    SER  15           H        SER  15   1.103 -11.760   1.498
  117    HA   SER  15           HA       SER  15   3.548 -11.551  -0.025
  118   1HB   SER  15           HB1      SER  15   0.708 -10.694  -0.527
  119   2HB   SER  15           HB2      SER  15   2.050  -9.728  -1.245
  120    HG   SER  15           HG       SER  15   1.179 -11.425  -2.618
  121    H    THR  16           H        THR  16   1.062  -9.682   1.703
  122    HA   THR  16           HA       THR  16   1.871  -7.114   1.642
  123    HB   THR  16           HB       THR  16   0.865  -7.294   4.192
  124    HG1  THR  16           HG1      THR  16  -0.996  -8.732   3.857
  125   1HG2  THR  16          1HG2      THR  16   0.238  -5.631   2.666
  126   2HG2  THR  16          2HG2      THR  16  -0.753  -6.718   1.731
  127   3HG2  THR  16          3HG2      THR  16  -1.136  -6.405   3.429
  128    H    SER  17           H        SER  17   2.356  -9.259   4.544
  129    HA   SER  17           HA       SER  17   3.253  -7.307   6.195
  130   1HB   SER  17           HB1      SER  17   4.108 -10.188   6.474
  131   2HB   SER  17           HB2      SER  17   3.839  -8.966   7.771
  132    HG   SER  17           HG       SER  17   2.040 -10.517   7.448
  133    H    LEU  18           H        LEU  18   5.341  -9.614   4.348
  134    HA   LEU  18           HA       LEU  18   7.878  -8.700   5.350
  135   1HB   LEU  18           HB1      LEU  18   6.641 -10.617   3.307
  136   2HB   LEU  18           HB2      LEU  18   8.383 -10.251   3.109
  137    HG   LEU  18           HG       LEU  18   7.409 -11.460   5.667
  138   1HD1  LEU  18          3HD1      LEU  18   6.548 -12.727   3.621
  139   2HD1  LEU  18          1HD1      LEU  18   8.245 -13.296   3.641
  140   3HD1  LEU  18          2HD1      LEU  18   7.222 -13.560   5.035
  141   1HD2  LEU  18          3HD2      LEU  18  10.009 -11.523   4.052
  142   2HD2  LEU  18          1HD2      LEU  18   9.733 -10.644   5.549
  143   3HD2  LEU  18          2HD2      LEU  18   9.697 -12.429   5.513
  144    H    LEU  19           H        LEU  19   5.601  -7.933   2.724
  145    HA   LEU  19           HA       LEU  19   7.601  -6.699   1.010
  146   1HB   LEU  19           HB1      LEU  19   5.943  -7.473  -0.445
  147   2HB   LEU  19           HB2      LEU  19   4.883  -7.870   0.949
  148    HG   LEU  19           HG       LEU  19   3.457  -6.266   0.527
  149   1HD1  LEU  19          2HD1      LEU  19   5.534  -4.210  -0.143
  150   2HD1  LEU  19          3HD1      LEU  19   4.014  -4.143  -0.931
  151   3HD1  LEU  19          1HD1      LEU  19   4.093  -4.217   0.883
  152   1HD2  LEU  19          3HD2      LEU  19   4.326  -7.670  -1.660
  153   2HD2  LEU  19          1HD2      LEU  19   3.003  -6.477  -1.671
  154   3HD2  LEU  19          2HD2      LEU  19   4.591  -6.025  -2.229
  155    H    VAL  20           H        VAL  20   5.300  -5.666   3.607
  156    HA   VAL  20           HA       VAL  20   5.755  -2.768   3.361
  157    HB   VAL  20           HB       VAL  20   4.849  -4.492   5.654
  158   1HG1  VAL  20          2HG1      VAL  20   5.635  -1.804   5.747
  159   2HG1  VAL  20          3HG1      VAL  20   3.920  -1.845   5.986
  160   3HG1  VAL  20          1HG1      VAL  20   4.959  -2.888   6.959
  161   1HG2  VAL  20          3HG2      VAL  20   3.527  -3.455   3.184
  162   2HG2  VAL  20          1HG2      VAL  20   3.071  -4.794   4.283
  163   3HG2  VAL  20          2HG2      VAL  20   2.653  -3.085   4.641
  164    H    SER  21           H        SER  21   7.297  -5.593   5.086
  165    HA   SER  21           HA       SER  21   9.078  -3.883   6.527
  166   1HB   SER  21           HB1      SER  21   8.700  -5.683   7.994
  167   2HB   SER  21           HB2      SER  21   8.017  -6.660   6.621
  168    HG   SER  21           HG       SER  21   9.967  -7.511   7.683
  169    H    LYS  22           H        LYS  22   8.945  -5.440   3.466
  170    HA   LYS  22           HA       LYS  22  11.684  -5.236   2.774
  171   1HB   LYS  22           HB1      LYS  22   9.260  -5.972   1.581
  172   2HB   LYS  22           HB2      LYS  22  10.072  -4.706   0.619
  173   1HG   LYS  22           HG1      LYS  22  12.061  -5.932   0.416
  174   2HG   LYS  22           HG2      LYS  22  11.618  -7.020   1.760
  175   1HD   LYS  22           HD1      LYS  22   9.530  -7.501  -0.063
  176   2HD   LYS  22           HD2      LYS  22  11.004  -7.435  -1.086
  177   1HE   LYS  22           HE1      LYS  22  10.552  -9.131   1.397
  178   2HE   LYS  22           HE2      LYS  22  10.695  -9.721  -0.301
  179   1HZ   LYS  22           HZ1      LYS  22  12.935  -8.829  -0.331
  180   2HZ   LYS  22           HZ2      LYS  22  12.817  -8.451   1.334
  181   3HZ   LYS  22           HZ3      LYS  22  12.748 -10.095   0.790
  182    H    MET  23           H        MET  23   8.768  -3.350   2.316
  183    HA   MET  23           HA       MET  23   9.893  -1.285   0.844
  184   1HB   MET  23           HB1      MET  23   7.211  -1.793   2.181
  185   2HB   MET  23           HB2      MET  23   7.551  -0.171   1.555
  186   1HG   MET  23           HG1      MET  23   8.549  -1.723  -0.482
  187   2HG   MET  23           HG2      MET  23   7.233  -2.798   0.118
  188   1HE   MET  23           HE2      MET  23   5.409  -0.256   1.141
  189   2HE   MET  23           HE3      MET  23   6.431   1.045   0.598
  190   3HE   MET  23           HE1      MET  23   4.851   0.821  -0.175
  191    H    ARG  24           H        ARG  24   9.298  -1.728   4.362
  192    HA   ARG  24           HA       ARG  24  10.392   0.752   5.267
  193   1HB   ARG  24           HB1      ARG  24  10.256  -2.029   6.509
  194   2HB   ARG  24           HB2      ARG  24  10.806  -0.577   7.384
  195   1HG   ARG  24           HG1      ARG  24   8.665   0.491   7.231
  196   2HG   ARG  24           HG2      ARG  24   8.078  -0.731   6.089
  197   1HD   ARG  24           HD1      ARG  24   8.405  -2.470   7.955
  198   2HD   ARG  24           HD2      ARG  24   8.722  -1.098   9.055
  199    HE   ARG  24           HE       ARG  24   6.278  -0.658   7.618
  200   1HH1  ARG  24          2HH1      ARG  24   7.481  -2.689  10.034
  201   2HH1  ARG  24          1HH1      ARG  24   5.776  -2.919  10.811
  202   1HH2  ARG  24          2HH2      ARG  24   4.400  -0.985   8.490
  203   2HH2  ARG  24          1HH2      ARG  24   4.230  -2.233   9.942
  204    H    ALA  25           H        ALA  25  11.712  -2.572   4.914
  205    HA   ALA  25           HA       ALA  25  14.271  -2.410   5.533
  206   1HB   ALA  25           HB2      ALA  25  13.025  -4.385   4.359
  207   2HB   ALA  25           HB3      ALA  25  13.661  -3.712   2.863
  208   3HB   ALA  25           HB1      ALA  25  14.778  -4.203   4.148
  209    H    GLN  26           H        GLN  26  13.128  -1.649   2.188
  210    HA   GLN  26           HA       GLN  26  15.449  -0.351   1.215
  211    HB   GLN  26           HB1      GLN  26  13.222   1.045   0.043
  212   2HB   GLN  26           HB2      GLN  26  14.172  -0.250  -0.670
  213   1HG   GLN  26           HG1      GLN  26  11.787  -1.288   0.889
  214   2HG   GLN  26           HG2      GLN  26  11.481  -0.190  -0.472
  215   1HE2  GLN  26          1HE2      GLN  26  12.168  -3.861  -1.426
  216   2HE2  GLN  26          2HE2      GLN  26  11.413  -3.304   0.088
  217    H    ALA  27           H        ALA  27  12.419   1.065   2.678
  218    HA   ALA  27           HA       ALA  27  13.240   3.748   2.251
  219   1HB   ALA  27           HB3      ALA  27  10.982   2.315   3.527
  220   2HB   ALA  27           HB1      ALA  27  11.210   4.008   4.052
  221   3HB   ALA  27           HB2      ALA  27  10.937   3.638   2.350
  222    H    GLU  28           H        GLU  28  13.941   1.510   4.829
  223    HA   GLU  28           HA       GLU  28  14.845   3.490   6.800
  224   1HB   GLU  28           HB1      GLU  28  13.978   1.877   8.047
  225   2HB   GLU  28           HB2      GLU  28  13.964   0.717   6.715
  226   1HG   GLU  28           HG1      GLU  28  16.181   0.002   7.158
  227   2HG   GLU  28           HG2      GLU  28  16.605   1.504   7.987
  228    H    LYS  29           H        LYS  29  16.011   1.037   4.401
  229    HA   LYS  29           HA       LYS  29  18.718   1.230   4.594
  230   1HB   LYS  29           HB1      LYS  29  17.285  -0.161   3.106
  231   2HB   LYS  29           HB2      LYS  29  17.172   1.209   2.015
  232   1HG   LYS  29           HG1      LYS  29  19.387   0.930   1.340
  233   2HG   LYS  29           HG2      LYS  29  19.927   0.589   3.008
  234   1HD   LYS  29           HD1      LYS  29  20.189  -1.381   1.434
  235   2HD   LYS  29           HD2      LYS  29  19.281  -1.684   2.932
  236   1HE   LYS  29           HE1      LYS  29  17.126  -1.440   1.661
  237   2HE   LYS  29           HE2      LYS  29  18.017  -0.986   0.202
  238   1HZ   LYS  29           HZ1      LYS  29  19.134  -3.170   0.365
  239   2HZ   LYS  29           HZ2      LYS  29  18.064  -3.593   1.629
  240   3HZ   LYS  29           HZ3      LYS  29  17.466  -3.287   0.065
  241    H    TYR  30           H        TYR  30  16.384   3.516   3.054
  242    HA   TYR  30           HA       TYR  30  18.374   5.048   1.763
  243   1HB   TYR  30           HB1      TYR  30  15.381   5.305   2.012
  244   2HB   TYR  30           HB2      TYR  30  16.339   6.532   1.144
  245    HD1  TYR  30           HD2      TYR  30  16.671   2.837   1.195
  246    HD2  TYR  30           HD1      TYR  30  15.804   6.373  -1.131
  247    HE1  TYR  30           HE2      TYR  30  15.689   1.437  -0.674
  248    HE2  TYR  30           HE1      TYR  30  15.965   4.947  -3.205
  249    HH   TYR  30           HH       TYR  30  15.078   1.442  -2.811
  250    H    GLU  31           H        GLU  31  16.251   5.250   4.569
  251    HA   GLU  31           HA       GLU  31  16.152   6.709   6.240
  252   1HB   GLU  31           HB1      GLU  31  18.063   8.399   4.640
  253   2HB   GLU  31           HB2      GLU  31  17.130   9.130   5.948
  254   1HG   GLU  31           HG1      GLU  31  17.956   7.634   7.567
  255   2HG   GLU  31           HG2      GLU  31  18.465   6.459   6.325
  256    H    VAL  32           H        VAL  32  14.747   6.494   3.418
  257    HA   VAL  32           HA       VAL  32  13.295   8.754   2.689
  258    HB   VAL  32           HB       VAL  32  12.903   5.836   2.387
  259   1HG1  VAL  32          1HG1      VAL  32  10.764   6.608   2.617
  260   2HG1  VAL  32          2HG1      VAL  32  10.957   7.871   1.349
  261   3HG1  VAL  32          3HG1      VAL  32  10.973   6.195   0.916
  262   1HG2  VAL  32          2HG2      VAL  32  14.213   7.889   0.718
  263   2HG2  VAL  32          3HG2      VAL  32  14.149   6.143   0.428
  264   3HG2  VAL  32          1HG2      VAL  32  12.816   7.170  -0.102
  265    HA   PRO  33           HA       PRO  33  11.040   8.719   6.595
  266   1HB   PRO  33           HB1      PRO  33  10.185  11.514   5.910
  267   2HB   PRO  33           HB2      PRO  33  10.995  10.891   7.351
  268   1HG   PRO  33           HG1      PRO  33  12.421  12.283   5.354
  269   2HG   PRO  33           HG2      PRO  33  13.211  11.054   6.343
  270   1HD   PRO  33           HD2      PRO  33  12.032  10.780   3.518
  271   2HD   PRO  33           HD1      PRO  33  13.548  10.099   4.178
  272    H    VAL  34           H        VAL  34   9.523   7.343   6.501
  273    HA   VAL  34           HA       VAL  34   6.847   8.045   6.158
  274    HB   VAL  34           HB       VAL  34   6.998   8.241   3.870
  275   1HG1  VAL  34          1HG1      VAL  34   8.985   6.088   3.867
  276   2HG1  VAL  34          2HG1      VAL  34   8.213   6.663   2.351
  277   3HG1  VAL  34          3HG1      VAL  34   9.210   7.742   3.319
  278   1HG2  VAL  34          1HG2      VAL  34   5.272   6.538   4.612
  279   2HG2  VAL  34          2HG2      VAL  34   5.705   6.512   2.888
  280   3HG2  VAL  34          3HG2      VAL  34   6.387   5.314   3.994
  281    H    ILE  35           H        ILE  35   5.559   6.420   7.012
  282    HA   ILE  35           HA       ILE  35   6.655   3.813   7.768
  283    HB   ILE  35           HB       ILE  35   4.284   5.338   8.711
  284   1HG1  ILE  35          1HG1      ILE  35   6.890   5.688   9.473
  285   2HG1  ILE  35          2HG1      ILE  35   5.517   5.897  10.571
  286   1HG2  ILE  35          3HG2      ILE  35   4.525   2.501   8.876
  287   2HG2  ILE  35          1HG2      ILE  35   4.338   3.296  10.437
  288   3HG2  ILE  35          2HG2      ILE  35   3.171   3.630   9.165
  289   1HD1  ILE  35           HD3      ILE  35   6.922   3.222  10.416
  290   2HD1  ILE  35           HD1      ILE  35   7.604   4.621  11.243
  291   3HD1  ILE  35           HD2      ILE  35   6.109   3.887  11.800
  292    H    ILE  36           H        ILE  36   6.433   2.381   6.077
  293    HA   ILE  36           HA       ILE  36   3.965   1.876   4.689
  294    HB   ILE  36           HB       ILE  36   6.194  -0.051   4.963
  295   1HG1  ILE  36          1HG1      ILE  36   6.580   1.240   2.561
  296   2HG1  ILE  36          2HG1      ILE  36   5.967   2.578   3.551
  297   1HG2  ILE  36          3HG2      ILE  36   4.130  -1.031   4.089
  298   2HG2  ILE  36          1HG2      ILE  36   4.113   0.227   2.881
  299   3HG2  ILE  36          2HG2      ILE  36   5.445  -0.962   2.909
  300   1HD1  ILE  36           HD2      ILE  36   8.183   1.127   4.892
  301   2HD1  ILE  36           HD3      ILE  36   8.576   1.945   3.401
  302   3HD1  ILE  36           HD1      ILE  36   7.715   2.811   4.705
  303    H    GLU  37           H        GLU  37   2.176   1.064   5.667
  304    HA   GLU  37           HA       GLU  37   2.490  -1.239   7.491
  305   1HB   GLU  37           HB1      GLU  37   0.207   0.781   7.742
  306   2HB   GLU  37           HB2      GLU  37   0.663  -0.560   8.837
  307   1HG   GLU  37           HG1      GLU  37   2.609   0.654   9.653
  308   2HG   GLU  37           HG2      GLU  37   2.512   1.810   8.309
  309    H    ALA  38           H        ALA  38   0.571  -2.756   7.280
  310    HA   ALA  38           HA       ALA  38  -1.224  -2.350   5.022
  311   1HB   ALA  38           HB3      ALA  38   0.960  -3.972   4.547
  312   2HB   ALA  38           HB1      ALA  38  -0.225  -5.135   5.196
  313   3HB   ALA  38           HB2      ALA  38  -0.599  -4.205   3.772
  314    H    PHE  39           H        PHE  39  -3.201  -3.483   5.331
  315    HA   PHE  39           HA       PHE  39  -3.717  -4.770   7.900
  316   1HB   PHE  39           HB1      PHE  39  -5.203  -2.270   7.028
  317   2HB   PHE  39           HB2      PHE  39  -5.314  -3.153   8.563
  318    HD1  PHE  39           HD1      PHE  39  -3.190  -0.917   6.463
  319    HD2  PHE  39           HD2      PHE  39  -3.838  -2.698  10.367
  320    HE1  PHE  39           HE1      PHE  39  -1.821   0.891   7.518
  321    HE2  PHE  39           HE2      PHE  39  -1.906  -1.363  11.254
  322    HZ   PHE  39           HZ       PHE  39  -1.052   0.549   9.909
  323    HA   PRO  40           HA       PRO  40  -6.560  -6.876   5.244
  324   1HB   PRO  40           HB1      PRO  40  -8.497  -7.918   6.934
  325   2HB   PRO  40           HB2      PRO  40  -6.815  -8.474   6.810
  326   1HG   PRO  40           HG1      PRO  40  -8.106  -6.730   8.951
  327   2HG   PRO  40           HG2      PRO  40  -6.705  -7.815   9.128
  328   1HD   PRO  40           HD2      PRO  40  -6.585  -4.935   8.774
  329   2HD   PRO  40           HD1      PRO  40  -5.185  -6.065   8.580
  330    H    GLU  41           H        GLU  41  -7.224  -4.949   4.162
  331    HA   GLU  41           HA       GLU  41  -8.511  -3.203   3.568
  332   1HB   GLU  41           HB1      GLU  41 -10.722  -3.820   2.598
  333   2HB   GLU  41           HB2      GLU  41  -9.458  -4.995   2.199
  334   1HG   GLU  41           HG1      GLU  41 -11.224  -6.367   2.691
  335   2HG   GLU  41           HG2      GLU  41 -10.418  -6.291   4.284
  336    H    THR  42           H        THR  42 -10.557  -4.979   5.968
  337    HA   THR  42           HA       THR  42 -12.314  -3.504   7.033
  338    HB   THR  42           HB       THR  42 -12.122  -5.074   8.494
  339    HG1  THR  42           HG1      THR  42 -10.800  -4.607  10.443
  340   1HG2  THR  42          3HG2      THR  42  -9.426  -5.179   7.609
  341   2HG2  THR  42          1HG2      THR  42 -10.017  -6.249   8.978
  342   3HG2  THR  42          2HG2      THR  42 -10.743  -6.350   7.412
  343    H    LEU  43           H        LEU  43  -8.885  -2.461   7.141
  344    HA   LEU  43           HA       LEU  43  -9.416  -0.300   9.057
  345   1HB   LEU  43           HB1      LEU  43  -7.241  -2.290   8.416
  346   2HB   LEU  43           HB2      LEU  43  -6.714  -0.740   9.012
  347    HG   LEU  43           HG       LEU  43  -8.308  -2.804  10.418
  348   1HD1  LEU  43          1HD1      LEU  43  -5.650  -1.688  11.019
  349   2HD1  LEU  43          2HD1      LEU  43  -6.443  -2.814  12.098
  350   3HD1  LEU  43          3HD1      LEU  43  -6.079  -3.359  10.480
  351   1HD2  LEU  43          2HD2      LEU  43  -7.861   0.124  11.078
  352   2HD2  LEU  43          3HD2      LEU  43  -9.376  -0.766  11.279
  353   3HD2  LEU  43          1HD2      LEU  43  -7.986  -1.043  12.365
  354    H    ALA  44           H        ALA  44  -8.580  -1.064   5.735
  355    HA   ALA  44           HA       ALA  44  -7.162   0.991   4.736
  356   1HB   ALA  44           HB1      ALA  44  -8.977  -0.937   3.733
  357   2HB   ALA  44           HB2      ALA  44  -9.604   0.623   3.170
  358   3HB   ALA  44           HB3      ALA  44  -7.959   0.151   2.754
  359    H    GLY  45           H        GLY  45 -10.804   1.058   5.165
  360   1HA   GLY  45           HA1      GLY  45 -11.583   3.573   4.984
  361   2HA   GLY  45           HA2      GLY  45 -12.036   2.600   6.381
  362    H    GLU  46           H        GLU  46  -9.956   2.461   8.005
  363    HA   GLU  46           HA       GLU  46 -10.073   5.225   9.064
  364   1HB   GLU  46           HB1      GLU  46  -9.796   2.466  10.226
  365   2HB   GLU  46           HB2      GLU  46  -8.777   3.705  10.980
  366   1HG   GLU  46           HG1      GLU  46 -10.975   5.158  11.022
  367   2HG   GLU  46           HG2      GLU  46 -11.794   3.567  10.964
  368    H    LYS  47           H        LYS  47  -7.515   2.606   9.014
  369    HA   LYS  47           HA       LYS  47  -5.256   4.079   9.266
  370   1HB   LYS  47           HB1      LYS  47  -5.800   1.528   7.841
  371   2HB   LYS  47           HB2      LYS  47  -4.216   2.286   7.679
  372   1HG   LYS  47           HG1      LYS  47  -5.587   1.627  10.361
  373   2HG   LYS  47           HG2      LYS  47  -4.296   0.669   9.636
  374   1HD   LYS  47           HD1      LYS  47  -2.753   2.582   9.816
  375   2HD   LYS  47           HD2      LYS  47  -4.046   3.529  10.598
  376   1HE   LYS  47           HE1      LYS  47  -4.098   1.155  12.080
  377   2HE   LYS  47           HE2      LYS  47  -2.354   1.439  11.816
  378   1HZ   LYS  47           HZ1      LYS  47  -2.702   3.721  12.524
  379   2HZ   LYS  47           HZ2      LYS  47  -4.289   3.324  12.934
  380   3HZ   LYS  47           HZ3      LYS  47  -2.991   2.566  13.751
  381    H    GLY  48           H        GLY  48  -6.481   2.913   6.088
  382   1HA   GLY  48           HA1      GLY  48  -5.434   4.261   4.131
  383   2HA   GLY  48           HA2      GLY  48  -7.222   4.196   4.325
  384    H    GLN  49           H        GLN  49  -8.250   5.891   5.688
  385    HA   GLN  49           HA       GLN  49  -7.889   8.443   4.660
  386   1HB   GLN  49           HB1      GLN  49  -9.932   7.632   5.869
  387   2HB   GLN  49           HB2      GLN  49  -9.001   7.495   7.399
  388   1HG   GLN  49           HG1      GLN  49  -8.771   9.944   7.456
  389   2HG   GLN  49           HG2      GLN  49  -9.667  10.062   5.909
  390   1HE2  GLN  49          1HE2      GLN  49 -12.030   8.640   8.908
  391   2HE2  GLN  49          2HE2      GLN  49 -10.507   7.773   8.581
  392    H    ASN  50           H        ASN  50  -6.051   6.753   7.171
  393    HA   ASN  50           HA       ASN  50  -4.838   9.242   8.208
  394   1HB   ASN  50           HB1      ASN  50  -5.394   6.520   9.305
  395   2HB   ASN  50           HB2      ASN  50  -3.839   7.292   9.800
  396   1HD2  ASN  50          1HD2      ASN  50  -7.454   8.781  11.060
  397   2HD2  ASN  50          2HD2      ASN  50  -7.401   7.632   9.695
  398    H    ALA  51           H        ALA  51  -4.359   7.275   5.692
  399    HA   ALA  51           HA       ALA  51  -1.466   7.137   5.762
  400   1HB   ALA  51           HB3      ALA  51  -3.586   5.701   4.428
  401   2HB   ALA  51           HB1      ALA  51  -2.559   6.443   3.175
  402   3HB   ALA  51           HB2      ALA  51  -1.852   5.383   4.399
  403    H    ASP  52           H        ASP  52  -0.194   8.037   3.995
  404    HA   ASP  52           HA       ASP  52  -1.051  10.521   2.703
  405   1HB   ASP  52           HB1      ASP  52   1.511   8.983   3.117
  406   2HB   ASP  52           HB2      ASP  52   1.397   9.981   1.665
  407    H    VAL  53           H        VAL  53  -0.341   7.112   1.897
  408    HA   VAL  53           HA       VAL  53  -1.704   7.259  -0.708
  409    HB   VAL  53           HB       VAL  53   1.228   6.538  -0.529
  410   1HG1  VAL  53          2HG1      VAL  53  -0.420   5.347  -2.279
  411   2HG1  VAL  53          3HG1      VAL  53   0.098   6.649  -3.275
  412   3HG1  VAL  53          1HG1      VAL  53   1.328   5.686  -2.504
  413   1HG2  VAL  53          2HG2      VAL  53   0.577   9.126  -0.615
  414   2HG2  VAL  53          3HG2      VAL  53   1.763   8.510  -1.718
  415   3HG2  VAL  53          1HG2      VAL  53   0.119   8.761  -2.284
  416    H    VAL  54           H        VAL  54  -2.294   5.089  -1.407
  417    HA   VAL  54           HA       VAL  54  -2.314   3.131   0.720
  418    HB   VAL  54           HB       VAL  54  -4.615   4.727  -0.302
  419   1HG1  VAL  54          2HG1      VAL  54  -5.099   2.364  -1.047
  420   2HG1  VAL  54          3HG1      VAL  54  -5.508   2.029   0.624
  421   3HG1  VAL  54          1HG1      VAL  54  -6.250   3.398  -0.200
  422   1HG2  VAL  54          3HG2      VAL  54  -3.593   3.650   2.393
  423   2HG2  VAL  54          1HG2      VAL  54  -4.057   5.282   1.895
  424   3HG2  VAL  54          2HG2      VAL  54  -5.294   4.054   2.241
  425    H    LEU  55           H        LEU  55  -2.364   1.034   0.020
  426    HA   LEU  55           HA       LEU  55  -2.968   0.341  -2.791
  427   1HB   LEU  55           HB1      LEU  55  -0.511  -0.722  -1.248
  428   2HB   LEU  55           HB2      LEU  55  -0.864  -0.927  -2.982
  429    HG   LEU  55           HG       LEU  55  -0.617   1.859  -2.124
  430   1HD1  LEU  55          3HD1      LEU  55   0.653   1.162  -0.439
  431   2HD1  LEU  55          1HD1      LEU  55   1.736   0.221  -1.468
  432   3HD1  LEU  55          2HD1      LEU  55   1.773   1.946  -1.541
  433   1HD2  LEU  55          3HD2      LEU  55  -0.476   0.674  -4.586
  434   2HD2  LEU  55          1HD2      LEU  55   0.413   2.138  -4.208
  435   3HD2  LEU  55          2HD2      LEU  55   1.221   0.533  -4.209
  436    H    LEU  56           H        LEU  56  -4.435  -1.382  -2.766
  437    HA   LEU  56           HA       LEU  56  -4.672  -3.046  -0.333
  438   1HB   LEU  56           HB1      LEU  56  -7.317  -2.930  -1.516
  439   2HB   LEU  56           HB2      LEU  56  -6.726  -1.972  -0.193
  440    HG   LEU  56           HG       LEU  56  -6.469  -0.918  -2.989
  441   1HD1  LEU  56          3HD1      LEU  56  -8.718  -0.880  -1.171
  442   2HD1  LEU  56          1HD1      LEU  56  -8.469   0.387  -2.479
  443   3HD1  LEU  56          2HD1      LEU  56  -8.847  -1.287  -2.871
  444   1HD2  LEU  56          3HD2      LEU  56  -5.999  -0.160  -0.114
  445   2HD2  LEU  56          1HD2      LEU  56  -5.211   0.493  -1.538
  446   3HD2  LEU  56          2HD2      LEU  56  -6.863   1.043  -1.061
  447    H    GLY  57           H        GLY  57  -4.910  -5.350  -0.797
  448   1HA   GLY  57           HA1      GLY  57  -3.273  -6.367  -2.558
  449   2HA   GLY  57           HA2      GLY  57  -4.726  -7.315  -2.066
  450    HA   PRO  58           HA       PRO  58  -5.008  -5.906  -6.521
  451   1HB   PRO  58           HB1      PRO  58  -3.091  -7.133  -8.102
  452   2HB   PRO  58           HB2      PRO  58  -2.753  -5.670  -7.145
  453   1HG   PRO  58           HG1      PRO  58  -2.353  -8.627  -6.414
  454   2HG   PRO  58           HG2      PRO  58  -1.164  -7.348  -6.331
  455   1HD   PRO  58           HD2      PRO  58  -2.613  -8.113  -4.098
  456   2HD   PRO  58           HD1      PRO  58  -2.146  -6.439  -4.258
  457    H    GLN  59           H        GLN  59  -5.530  -8.587  -4.921
  458    HA   GLN  59           HA       GLN  59  -7.281  -9.749  -6.902
  459   1HB   GLN  59           HB1      GLN  59  -6.918 -10.604  -4.002
  460   2HB   GLN  59           HB2      GLN  59  -7.309 -11.617  -5.376
  461   1HG   GLN  59           HG1      GLN  59  -5.043 -11.725  -6.124
  462   2HG   GLN  59           HG2      GLN  59  -4.597 -10.318  -5.119
  463   1HE2  GLN  59          1HE2      GLN  59  -3.105 -12.788  -3.140
  464   2HE2  GLN  59          2HE2      GLN  59  -2.861 -12.067  -4.751
  465    H    ILE  60           H        ILE  60  -6.973  -7.294  -4.634
  466    HA   ILE  60           HA       ILE  60  -9.712  -7.352  -3.566
  467    HB   ILE  60           HB       ILE  60  -7.500  -7.231  -2.106
  468   1HG1  ILE  60          1HG1      ILE  60 -10.286  -6.161  -1.713
  469   2HG1  ILE  60          2HG1      ILE  60  -9.648  -7.737  -1.177
  470   1HG2  ILE  60          3HG2      ILE  60  -6.870  -4.962  -3.014
  471   2HG2  ILE  60          1HG2      ILE  60  -8.409  -4.438  -2.370
  472   3HG2  ILE  60          2HG2      ILE  60  -7.126  -4.997  -1.284
  473   1HD1  ILE  60           HD3      ILE  60  -8.156  -5.656   0.145
  474   2HD1  ILE  60           HD1      ILE  60  -9.953  -5.392   0.279
  475   3HD1  ILE  60           HD2      ILE  60  -9.169  -6.807   0.937
  476    H    ALA  61           H        ALA  61  -8.682  -6.415  -6.292
  477    HA   ALA  61           HA       ALA  61  -9.160  -3.718  -6.814
  478   1HB   ALA  61           HB2      ALA  61  -8.781  -5.654  -8.510
  479   2HB   ALA  61           HB3      ALA  61 -10.460  -6.070  -8.237
  480   3HB   ALA  61           HB1      ALA  61 -10.033  -4.518  -8.944
  481    H    TYR  62           H        TYR  62 -11.229  -6.235  -5.504
  482    HA   TYR  62           HA       TYR  62 -13.788  -5.199  -6.523
  483   1HB   TYR  62           HB1      TYR  62 -14.636  -7.321  -5.538
  484   2HB   TYR  62           HB2      TYR  62 -13.332  -7.596  -6.725
  485    HD1  TYR  62           HD1      TYR  62 -11.880  -6.317  -3.695
  486    HD2  TYR  62           HD2      TYR  62 -13.117  -9.831  -5.786
  487    HE1  TYR  62           HE1      TYR  62 -11.601  -7.654  -1.540
  488    HE2  TYR  62           HE2      TYR  62 -11.922 -11.223  -4.035
  489    HH   TYR  62           HH       TYR  62 -11.189 -11.237  -1.962
  490    H    MET  63           H        MET  63 -11.792  -4.457  -4.022
  491    HA   MET  63           HA       MET  63 -13.881  -3.850  -2.089
  492   1HB   MET  63           HB1      MET  63 -10.926  -4.345  -1.843
  493   2HB   MET  63           HB2      MET  63 -11.652  -3.209  -0.704
  494   1HG   MET  63           HG1      MET  63 -13.334  -5.561  -1.047
  495   2HG   MET  63           HG2      MET  63 -11.712  -6.003  -0.512
  496   1HE   MET  63           HE2      MET  63 -14.586  -6.420   0.796
  497   2HE   MET  63           HE3      MET  63 -13.322  -7.030   1.842
  498   3HE   MET  63           HE1      MET  63 -14.516  -5.879   2.474
  499    H    LEU  64           H        LEU  64 -12.141  -2.575  -4.660
  500    HA   LEU  64           HA       LEU  64 -10.869  -0.288  -3.798
  501   1HB   LEU  64           HB1      LEU  64 -10.809  -1.637  -6.118
  502   2HB   LEU  64           HB2      LEU  64 -12.217  -0.690  -6.568
  503    HG   LEU  64           HG       LEU  64  -9.502  -0.106  -6.905
  504   1HD1  LEU  64          2HD1      LEU  64 -11.850   0.373  -8.260
  505   2HD1  LEU  64          3HD1      LEU  64 -11.230   1.928  -7.765
  506   3HD1  LEU  64          1HD1      LEU  64 -10.212   0.751  -8.674
  507   1HD2  LEU  64          2HD2      LEU  64 -11.051   1.907  -5.208
  508   2HD2  LEU  64          3HD2      LEU  64  -9.584   1.122  -4.688
  509   3HD2  LEU  64          1HD2      LEU  64  -9.487   2.253  -6.033
  510    HA   PRO  65           HA       PRO  65 -14.941   2.010  -4.717
  511   1HB   PRO  65           HB1      PRO  65 -17.309   0.814  -5.252
  512   2HB   PRO  65           HB2      PRO  65 -16.010   0.915  -6.456
  513   1HG   PRO  65           HG1      PRO  65 -16.625  -1.434  -4.543
  514   2HG   PRO  65           HG2      PRO  65 -16.373  -1.523  -6.307
  515   1HD   PRO  65           HD2      PRO  65 -14.226  -1.926  -4.569
  516   2HD   PRO  65           HD1      PRO  65 -13.999  -1.094  -6.162
  517    H    GLU  66           H        GLU  66 -15.274  -0.642  -2.559
  518    HA   GLU  66           HA       GLU  66 -16.874   0.722  -0.545
  519   1HB   GLU  66           HB1      GLU  66 -17.099  -1.578  -0.381
  520   2HB   GLU  66           HB2      GLU  66 -15.355  -1.872  -0.675
  521   1HG   GLU  66           HG1      GLU  66 -14.821  -1.450   1.599
  522   2HG   GLU  66           HG2      GLU  66 -16.119  -0.270   1.784
  523    H    ILE  67           H        ILE  67 -13.423  -0.248  -0.887
  524    HA   ILE  67           HA       ILE  67 -12.127   0.940   1.124
  525    HB   ILE  67           HB       ILE  67 -11.364   0.643  -1.712
  526   1HG1  ILE  67          1HG1      ILE  67 -11.828  -1.435  -0.090
  527   2HG1  ILE  67          2HG1      ILE  67 -10.524  -1.394  -1.283
  528   1HG2  ILE  67          2HG2      ILE  67  -9.977   2.151   0.259
  529   2HG2  ILE  67          3HG2      ILE  67  -8.936   0.954  -0.500
  530   3HG2  ILE  67          1HG2      ILE  67  -9.851   2.074  -1.508
  531   1HD1  ILE  67           HD2      ILE  67  -9.356  -0.623   1.310
  532   2HD1  ILE  67           HD3      ILE  67 -10.433  -1.962   1.553
  533   3HD1  ILE  67           HD1      ILE  67  -9.219  -2.040   0.255
  534    H    GLN  68           H        GLN  68 -13.133   2.362  -2.044
  535    HA   GLN  68           HA       GLN  68 -11.799   4.913  -1.440
  536   1HB   GLN  68           HB1      GLN  68 -11.061   4.441  -3.555
  537   2HB   GLN  68           HB2      GLN  68 -12.243   3.114  -3.720
  538   1HG   GLN  68           HG1      GLN  68 -12.857   4.383  -5.499
  539   2HG   GLN  68           HG2      GLN  68 -13.925   5.145  -4.277
  540   1HE2  GLN  68          1HE2      GLN  68 -10.696   7.503  -4.622
  541   2HE2  GLN  68          2HE2      GLN  68 -10.985   6.346  -3.283
  542    H    ARG  69           H        ARG  69 -14.915   3.445  -1.274
  543    HA   ARG  69           HA       ARG  69 -16.529   5.728  -1.421
  544   1HB   ARG  69           HB1      ARG  69 -16.740   3.008  -0.436
  545   2HB   ARG  69           HB2      ARG  69 -17.501   4.171   0.686
  546   1HG   ARG  69           HG1      ARG  69 -19.169   4.700  -0.845
  547   2HG   ARG  69           HG2      ARG  69 -18.077   4.479  -2.257
  548   1HD   ARG  69           HD1      ARG  69 -18.206   1.932  -1.158
  549   2HD   ARG  69           HD2      ARG  69 -19.875   2.534  -0.980
  550    HE   ARG  69           HE       ARG  69 -18.506   1.765  -3.374
  551   1HH1  ARG  69          2HH1      ARG  69 -20.951   3.890  -2.252
  552   2HH1  ARG  69          1HH1      ARG  69 -21.579   4.204  -3.991
  553   1HH2  ARG  69          2HH2      ARG  69 -19.528   1.940  -5.250
  554   2HH2  ARG  69          1HH2      ARG  69 -20.822   3.333  -5.508
  555    H    LEU  70           H        LEU  70 -14.355   4.323   1.002
  556    HA   LEU  70           HA       LEU  70 -15.132   5.943   3.333
  557   1HB   LEU  70           HB1      LEU  70 -13.625   3.432   2.528
  558   2HB   LEU  70           HB2      LEU  70 -12.978   4.296   3.931
  559    HG   LEU  70           HG       LEU  70 -15.880   3.793   3.950
  560   1HD1  LEU  70          2HD1      LEU  70 -14.226   1.433   3.346
  561   2HD1  LEU  70          3HD1      LEU  70 -15.279   1.332   4.764
  562   3HD1  LEU  70          1HD1      LEU  70 -15.911   1.901   3.161
  563   1HD2  LEU  70          3HD2      LEU  70 -13.688   3.786   6.082
  564   2HD2  LEU  70          1HD2      LEU  70 -15.244   4.596   5.923
  565   3HD2  LEU  70          2HD2      LEU  70 -15.169   2.879   6.327
  566    H    LEU  71           H        LEU  71 -12.279   5.269   1.147
  567    HA   LEU  71           HA       LEU  71 -11.077   7.833   1.886
  568   1HB   LEU  71           HB1      LEU  71  -9.912   5.537   0.153
  569   2HB   LEU  71           HB2      LEU  71  -9.004   6.845   0.967
  570    HG   LEU  71           HG       LEU  71 -10.288   4.442   2.185
  571   1HD1  LEU  71          2HD1      LEU  71  -8.120   3.981   1.017
  572   2HD1  LEU  71          3HD1      LEU  71  -7.397   5.039   2.155
  573   3HD1  LEU  71          1HD1      LEU  71  -8.261   3.547   2.708
  574   1HD2  LEU  71          2HD2      LEU  71 -10.312   6.763   3.492
  575   2HD2  LEU  71          3HD2      LEU  71  -9.797   5.319   4.363
  576   3HD2  LEU  71          1HD2      LEU  71  -8.590   6.442   3.712
  577    HA   PRO  72           HA       PRO  72 -13.502   8.949  -1.967
  578   1HB   PRO  72           HB1      PRO  72 -12.656  11.436  -0.425
  579   2HB   PRO  72           HB2      PRO  72 -14.065  11.241  -1.482
  580   1HG   PRO  72           HG1      PRO  72 -14.381  10.832   1.223
  581   2HG   PRO  72           HG2      PRO  72 -15.208   9.797   0.051
  582   1HD   PRO  72           HD2      PRO  72 -12.724   9.133   1.729
  583   2HD   PRO  72           HD1      PRO  72 -13.974   8.031   1.092
  584    H    ASN  73           H        ASN  73 -10.737  10.734  -0.820
  585    HA   ASN  73           HA       ASN  73  -9.321  10.462  -3.337
  586   1HB   ASN  73           HB1      ASN  73 -10.560  12.401  -3.972
  587   2HB   ASN  73           HB2      ASN  73 -10.257  13.223  -2.413
  588   1HD2  ASN  73          1HD2      ASN  73  -7.451  14.864  -3.549
  589   2HD2  ASN  73          2HD2      ASN  73  -9.006  14.971  -2.671
  590    H    LYS  74           H        LYS  74  -8.036   9.186  -1.691
  591    HA   LYS  74           HA       LYS  74  -5.814  10.892  -0.895
  592   1HB   LYS  74           HB1      LYS  74  -7.422   9.262   1.035
  593   2HB   LYS  74           HB2      LYS  74  -5.675   9.370   1.276
  594   1HG   LYS  74           HG1      LYS  74  -6.700  12.045   0.652
  595   2HG   LYS  74           HG2      LYS  74  -7.522  11.354   2.087
  596   1HD   LYS  74           HD1      LYS  74  -4.522  11.402   1.819
  597   2HD   LYS  74           HD2      LYS  74  -5.420  12.799   2.412
  598   1HE   LYS  74           HE1      LYS  74  -6.246  10.222   3.714
  599   2HE   LYS  74           HE2      LYS  74  -4.533  10.684   4.010
  600   1HZ   LYS  74           HZ1      LYS  74  -5.418  12.900   4.678
  601   2HZ   LYS  74           HZ2      LYS  74  -6.997  12.263   4.521
  602   3HZ   LYS  74           HZ3      LYS  74  -5.920  11.627   5.677
  603    HA   PRO  75           HA       PRO  75  -4.372   8.448  -3.914
  604   1HB   PRO  75           HB1      PRO  75  -1.779   7.814  -2.529
  605   2HB   PRO  75           HB2      PRO  75  -2.066   8.582  -4.125
  606   1HG   PRO  75           HG1      PRO  75  -1.503   9.927  -1.596
  607   2HG   PRO  75           HG2      PRO  75  -1.964  10.711  -3.115
  608   1HD   PRO  75           HD2      PRO  75  -3.617  10.566  -0.737
  609   2HD   PRO  75           HD1      PRO  75  -4.245  11.044  -2.340
  610    H    VAL  76           H        VAL  76  -5.981   6.895  -3.303
  611    HA   VAL  76           HA       VAL  76  -5.122   4.326  -2.256
  612    HB   VAL  76           HB       VAL  76  -7.783   5.149  -3.481
  613   1HG1  VAL  76          1HG1      VAL  76  -6.954   2.624  -3.207
  614   2HG1  VAL  76          2HG1      VAL  76  -7.706   2.897  -1.600
  615   3HG1  VAL  76          3HG1      VAL  76  -8.642   3.092  -3.057
  616   1HG2  VAL  76          2HG2      VAL  76  -6.566   5.966  -0.967
  617   2HG2  VAL  76          3HG2      VAL  76  -8.168   6.257  -1.574
  618   3HG2  VAL  76          1HG2      VAL  76  -7.861   4.741  -0.685
  619    H    GLU  77           H        GLU  77  -4.860   2.460  -3.464
  620    HA   GLU  77           HA       GLU  77  -5.737   1.998  -6.081
  621   1HB   GLU  77           HB1      GLU  77  -3.824   3.754  -6.432
  622   2HB   GLU  77           HB2      GLU  77  -2.763   2.324  -6.346
  623   1HG   GLU  77           HG1      GLU  77  -3.265   2.428  -8.667
  624   2HG   GLU  77           HG2      GLU  77  -4.428   1.257  -8.064
  625    H    VAL  78           H        VAL  78  -5.853  -0.189  -6.362
  626    HA   VAL  78           HA       VAL  78  -4.931  -2.263  -4.952
  627    HB   VAL  78           HB       VAL  78  -5.239  -1.908  -7.891
  628   1HG1  VAL  78          1HG1      VAL  78  -4.052  -4.220  -6.656
  629   2HG1  VAL  78          2HG1      VAL  78  -5.364  -4.558  -7.827
  630   3HG1  VAL  78          3HG1      VAL  78  -3.995  -3.708  -8.371
  631   1HG2  VAL  78          3HG2      VAL  78  -7.011  -2.355  -5.693
  632   2HG2  VAL  78          1HG2      VAL  78  -7.367  -2.417  -7.440
  633   3HG2  VAL  78          2HG2      VAL  78  -6.949  -3.870  -6.557
  634    H    ILE  79           H        ILE  79  -2.883  -3.204  -4.473
  635    HA   ILE  79           HA       ILE  79  -0.331  -2.374  -5.404
  636    HB   ILE  79           HB       ILE  79  -1.045  -4.942  -4.164
  637   1HG1  ILE  79          1HG1      ILE  79   0.074  -2.646  -2.601
  638   2HG1  ILE  79          2HG1      ILE  79  -1.678  -2.745  -2.854
  639   1HG2  ILE  79          2HG2      ILE  79   1.551  -3.708  -4.761
  640   2HG2  ILE  79          3HG2      ILE  79   1.408  -4.880  -3.465
  641   3HG2  ILE  79          1HG2      ILE  79   0.866  -5.310  -5.093
  642   1HD1  ILE  79           HD1      ILE  79   0.059  -4.792  -1.674
  643   2HD1  ILE  79           HD2      ILE  79  -1.001  -3.769  -0.666
  644   3HD1  ILE  79           HD3      ILE  79  -1.727  -4.894  -1.760
  645    H    ASP  80           H        ASP  80   1.018  -4.146  -6.669
  646    HA   ASP  80           HA       ASP  80  -0.311  -5.202  -9.001
  647   1HB   ASP  80           HB1      ASP  80   2.418  -4.217  -8.270
  648   2HB   ASP  80           HB2      ASP  80   2.419  -5.727  -9.222
  649    H    SER  81           H        SER  81   0.174  -7.513  -9.595
  650    HA   SER  81           HA       SER  81  -0.677  -8.964  -7.258
  651   1HB   SER  81           HB1      SER  81  -2.223  -8.861  -9.089
  652   2HB   SER  81           HB2      SER  81  -0.891  -9.048 -10.265
  653    HG   SER  81           HG       SER  81  -2.283 -10.959 -10.034
  654    H    LEU  82           H        LEU  82   1.905  -8.656  -9.541
  655    HA   LEU  82           HA       LEU  82   3.175 -11.224  -9.143
  656   1HB   LEU  82           HB1      LEU  82   3.127 -10.364 -11.390
  657   2HB   LEU  82           HB2      LEU  82   3.315  -8.695 -10.850
  658    HG   LEU  82           HG       LEU  82   5.413  -8.706 -11.316
  659   1HD1  LEU  82          1HD1      LEU  82   5.749 -11.011  -9.553
  660   2HD1  LEU  82          2HD1      LEU  82   7.106 -10.606 -10.539
  661   3HD1  LEU  82          3HD1      LEU  82   6.475  -9.379  -9.466
  662   1HD2  LEU  82          3HD2      LEU  82   4.593 -11.443 -12.405
  663   2HD2  LEU  82          1HD2      LEU  82   4.825  -9.907 -13.275
  664   3HD2  LEU  82          2HD2      LEU  82   6.230 -10.821 -12.668
  665    H    LEU  83           H        LEU  83   3.751  -7.631  -8.756
  666    HA   LEU  83           HA       LEU  83   6.184  -7.723  -7.354
  667   1HB   LEU  83           HB1      LEU  83   3.788  -5.792  -7.813
  668   2HB   LEU  83           HB2      LEU  83   5.090  -5.277  -6.737
  669    HG   LEU  83           HG       LEU  83   4.963  -5.342  -9.660
  670   1HD1  LEU  83          2HD1      LEU  83   5.181  -3.276  -7.934
  671   2HD1  LEU  83          3HD1      LEU  83   6.825  -3.543  -8.448
  672   3HD1  LEU  83          1HD1      LEU  83   5.526  -3.341  -9.664
  673   1HD2  LEU  83          1HD2      LEU  83   6.748  -7.082  -9.175
  674   2HD2  LEU  83          2HD2      LEU  83   7.353  -5.655 -10.018
  675   3HD2  LEU  83          3HD2      LEU  83   7.679  -5.853  -8.299
  676    H    TYR  84           H        TYR  84   2.782  -8.060  -6.505
  677    HA   TYR  84           HA       TYR  84   2.845  -7.515  -3.727
  678   1HB   TYR  84           HB1      TYR  84   0.790  -7.481  -5.036
  679   2HB   TYR  84           HB2      TYR  84   0.869  -9.258  -5.275
  680    HD1  TYR  84           HD1      TYR  84   1.107  -6.867  -2.342
  681    HD2  TYR  84           HD2      TYR  84  -0.727 -10.363  -4.130
  682    HE1  TYR  84           HE1      TYR  84   0.310  -7.629  -0.058
  683    HE2  TYR  84           HE2      TYR  84  -2.204 -10.551  -2.080
  684    HH   TYR  84           HH       TYR  84  -2.214 -10.249   0.112
  685    H    GLY  85           H        GLY  85   2.454 -10.725  -5.392
  686   1HA   GLY  85           HA1      GLY  85   3.153 -12.133  -2.875
  687   2HA   GLY  85           HA2      GLY  85   2.589 -12.833  -4.414
  688    H    LYS  86           H        LYS  86   4.982 -10.912  -5.604
  689    HA   LYS  86           HA       LYS  86   7.230 -12.634  -4.887
  690   1HB   LYS  86           HB1      LYS  86   6.936 -10.398  -6.891
  691   2HB   LYS  86           HB2      LYS  86   8.496 -11.216  -6.518
  692   1HG   LYS  86           HG1      LYS  86   6.092 -12.908  -7.261
  693   2HG   LYS  86           HG2      LYS  86   7.017 -12.041  -8.545
  694   1HD   LYS  86           HD1      LYS  86   8.499 -13.716  -8.595
  695   2HD   LYS  86           HD2      LYS  86   8.919 -13.388  -6.875
  696   1HE   LYS  86           HE1      LYS  86   7.278 -14.960  -6.052
  697   2HE   LYS  86           HE2      LYS  86   6.412 -14.986  -7.621
  698   1HZ   LYS  86           HZ1      LYS  86   8.354 -16.005  -8.614
  699   2HZ   LYS  86           HZ2      LYS  86   9.081 -16.071  -7.077
  700   3HZ   LYS  86           HZ3      LYS  86   7.676 -16.944  -7.369
  701    H    VAL  87           H        VAL  87   5.636  -9.840  -3.721
  702    HA   VAL  87           HA       VAL  87   6.119  -8.384  -2.087
  703    HB   VAL  87           HB       VAL  87   7.334 -11.037  -1.492
  704   1HG1  VAL  87          3HG1      VAL  87   8.803  -9.295  -0.428
  705   2HG1  VAL  87          1HG1      VAL  87   7.540  -9.340   0.850
  706   3HG1  VAL  87          2HG1      VAL  87   8.368 -10.795   0.325
  707   1HG2  VAL  87          1HG2      VAL  87   4.922 -10.794  -1.400
  708   2HG2  VAL  87          2HG2      VAL  87   5.540 -11.261   0.174
  709   3HG2  VAL  87          3HG2      VAL  87   4.984  -9.612  -0.080
  710    H    ASP  88           H        ASP  88   7.421  -7.426  -4.085
  711    HA   ASP  88           HA       ASP  88  10.197  -6.851  -3.308
  712   1HB   ASP  88           HB1      ASP  88   8.824  -6.688  -6.031
  713   2HB   ASP  88           HB2      ASP  88  10.488  -6.135  -5.688
  714    H    GLY  89           H        GLY  89   9.800  -5.167  -1.791
  715   1HA   GLY  89           HA1      GLY  89   8.234  -3.082  -1.786
  716   2HA   GLY  89           HA2      GLY  89   9.931  -2.930  -1.306
  717    H    LEU  90           H        LEU  90  11.479  -2.693  -3.355
  718    HA   LEU  90           HA       LEU  90  11.227  -0.025  -3.931
  719   1HB   LEU  90           HB1      LEU  90  13.174  -0.577  -5.557
  720   2HB   LEU  90           HB2      LEU  90  13.358  -1.317  -3.952
  721    HG   LEU  90           HG       LEU  90  12.735  -3.497  -4.933
  722   1HD1  LEU  90          2HD1      LEU  90  12.232  -2.081  -7.479
  723   2HD1  LEU  90          3HD1      LEU  90  13.076  -3.602  -7.475
  724   3HD1  LEU  90          1HD1      LEU  90  11.478  -3.464  -6.712
  725   1HD2  LEU  90          1HD2      LEU  90  15.088  -2.617  -4.721
  726   2HD2  LEU  90          2HD2      LEU  90  14.804  -3.962  -5.823
  727   3HD2  LEU  90          3HD2      LEU  90  15.067  -2.352  -6.463
  728    H    GLY  91           H        GLY  91   9.697  -2.705  -5.630
  729   1HA   GLY  91           HA1      GLY  91   9.136  -1.130  -8.025
  730   2HA   GLY  91           HA2      GLY  91   8.767  -2.849  -7.769
  731    H    VAL  92           H        VAL  92   7.344  -2.610  -5.206
  732    HA   VAL  92           HA       VAL  92   4.869  -1.296  -5.674
  733    HB   VAL  92           HB       VAL  92   6.059  -2.140  -3.074
  734   1HG1  VAL  92          1HG1      VAL  92   3.277  -1.522  -3.787
  735   2HG1  VAL  92          2HG1      VAL  92   3.755  -2.437  -2.319
  736   3HG1  VAL  92          3HG1      VAL  92   4.220  -0.737  -2.540
  737   1HG2  VAL  92          2HG2      VAL  92   4.963  -3.705  -5.413
  738   2HG2  VAL  92          3HG2      VAL  92   5.890  -4.278  -4.061
  739   3HG2  VAL  92          1HG2      VAL  92   4.128  -4.008  -3.881
  740    H    LEU  93           H        LEU  93   7.382  -0.494  -3.149
  741    HA   LEU  93           HA       LEU  93   6.803   2.003  -2.405
  742   1HB   LEU  93           HB1      LEU  93   8.858   0.292  -2.012
  743   2HB   LEU  93           HB2      LEU  93   9.649   1.197  -3.302
  744    HG   LEU  93           HG       LEU  93   8.805   3.112  -1.328
  745   1HD1  LEU  93          2HD1      LEU  93   9.445   0.639   0.078
  746   2HD1  LEU  93          3HD1      LEU  93  10.317   2.104   0.517
  747   3HD1  LEU  93          1HD1      LEU  93   8.520   2.093   0.430
  748   1HD2  LEU  93          1HD2      LEU  93  11.443   2.098  -2.371
  749   2HD2  LEU  93          2HD2      LEU  93  10.794   3.737  -2.266
  750   3HD2  LEU  93          3HD2      LEU  93  11.485   2.973  -0.854
  751    H    LYS  94           H        LYS  94   8.986   1.355  -5.346
  752    HA   LYS  94           HA       LYS  94   8.888   3.800  -6.576
  753   1HB   LYS  94           HB1      LYS  94  10.016   1.583  -7.250
  754   2HB   LYS  94           HB2      LYS  94   8.555   1.355  -8.250
  755   1HG   LYS  94           HG1      LYS  94   8.958   3.771  -9.091
  756   2HG   LYS  94           HG2      LYS  94  10.622   3.577  -8.455
  757   1HD   LYS  94           HD1      LYS  94  10.910   2.940 -10.660
  758   2HD   LYS  94           HD2      LYS  94  10.581   1.360  -9.894
  759   1HE   LYS  94           HE1      LYS  94   8.107   1.707 -10.458
  760   2HE   LYS  94           HE2      LYS  94   8.605   3.176 -11.384
  761   1HZ   LYS  94           HZ1      LYS  94  10.079   1.715 -12.655
  762   2HZ   LYS  94           HZ2      LYS  94   9.372   0.378 -11.875
  763   3HZ   LYS  94           HZ3      LYS  94   8.432   1.388 -12.873
  764    H    ALA  95           H        ALA  95   6.450   1.153  -6.912
  765    HA   ALA  95           HA       ALA  95   5.016   2.419  -8.986
  766   1HB   ALA  95           HB2      ALA  95   4.653  -0.076  -7.312
  767   2HB   ALA  95           HB3      ALA  95   3.259   0.507  -8.241
  768   3HB   ALA  95           HB1      ALA  95   4.800   0.099  -9.066
  769    H    ALA  96           H        ALA  96   4.890   2.723  -5.516
  770    HA   ALA  96           HA       ALA  96   2.231   3.824  -5.364
  771   1HB   ALA  96           HB3      ALA  96   4.323   2.978  -3.476
  772   2HB   ALA  96           HB1      ALA  96   3.366   4.384  -2.930
  773   3HB   ALA  96           HB2      ALA  96   2.561   2.897  -3.342
  774    H    VAL  97           H        VAL  97   5.634   4.857  -5.336
  775    HA   VAL  97           HA       VAL  97   5.259   7.646  -4.896
  776    HB   VAL  97           HB       VAL  97   7.622   6.126  -5.989
  777   1HG1  VAL  97          3HG1      VAL  97   7.471   9.066  -5.689
  778   2HG1  VAL  97          1HG1      VAL  97   8.885   8.138  -5.210
  779   3HG1  VAL  97          2HG1      VAL  97   8.247   8.043  -6.877
  780   1HG2  VAL  97          2HG2      VAL  97   6.631   6.768  -3.228
  781   2HG2  VAL  97          3HG2      VAL  97   7.776   5.545  -3.735
  782   3HG2  VAL  97          1HG2      VAL  97   8.306   7.211  -3.538
  783    H    ALA  98           H        ALA  98   5.631   5.498  -7.754
  784    HA   ALA  98           HA       ALA  98   5.487   7.555  -9.743
  785   1HB   ALA  98           HB1      ALA  98   5.479   4.535  -9.710
  786   2HB   ALA  98           HB2      ALA  98   5.034   5.369 -11.211
  787   3HB   ALA  98           HB3      ALA  98   6.637   5.607 -10.502
  788    H    ALA  99           H        ALA  99   3.234   5.403  -8.063
  789    HA   ALA  99           HA       ALA  99   0.819   6.027  -9.483
  790   1HB   ALA  99           HB1      ALA  99   1.468   4.944  -6.740
  791   2HB   ALA  99           HB2      ALA  99  -0.202   5.296  -7.264
  792   3HB   ALA  99           HB3      ALA  99   0.728   4.139  -8.158
  793    H    ILE 100           H        ILE 100   2.811   7.675  -7.057
  794    HA   ILE 100           HA       ILE 100   0.957   9.458  -5.870
  795    HB   ILE 100           HB       ILE 100   3.795   8.976  -5.766
  796   1HG1  ILE 100          1HG1      ILE 100   1.710  10.109  -3.818
  797   2HG1  ILE 100          2HG1      ILE 100   2.302   8.430  -3.886
  798   1HG2  ILE 100          1HG2      ILE 100   2.955  11.761  -5.893
  799   2HG2  ILE 100          2HG2      ILE 100   4.364  11.211  -4.925
  800   3HG2  ILE 100          3HG2      ILE 100   4.344  10.986  -6.664
  801   1HD1  ILE 100           HD1      ILE 100   4.587   9.705  -3.523
  802   2HD1  ILE 100           HD2      ILE 100   3.587  10.788  -2.536
  803   3HD1  ILE 100           HD3      ILE 100   3.600   9.110  -2.160
  804    H    LYS 101           H        LYS 101   3.615  10.076  -8.198
  805    HA   LYS 101           HA       LYS 101   2.699  12.425  -9.398
  806   1HB   LYS 101           HB1      LYS 101   4.870  11.882  -9.882
  807   2HB   LYS 101           HB2      LYS 101   4.488  10.209 -10.379
  808   1HG   LYS 101           HG1      LYS 101   3.630  10.881 -12.453
  809   2HG   LYS 101           HG2      LYS 101   3.334  12.550 -11.942
  810   1HD   LYS 101           HD1      LYS 101   5.958  12.730 -11.782
  811   2HD   LYS 101           HD2      LYS 101   5.949  11.254 -12.752
  812   1HE   LYS 101           HE1      LYS 101   4.015  13.302 -13.754
  813   2HE   LYS 101           HE2      LYS 101   5.720  13.849 -13.785
  814   1HZ   LYS 101           HZ1      LYS 101   6.243  11.760 -14.935
  815   2HZ   LYS 101           HZ2      LYS 101   4.575  11.408 -14.989
  816   3HZ   LYS 101           HZ3      LYS 101   5.191  12.772 -15.828
  817    H    LYS 102           H        LYS 102   2.007   8.975 -10.312
  818    HA   LYS 102           HA       LYS 102   0.823   9.710 -12.782
  819   1HB   LYS 102           HB1      LYS 102   1.661   7.260 -11.557
  820   2HB   LYS 102           HB2      LYS 102  -0.008   7.043 -12.098
  821   1HG   LYS 102           HG1      LYS 102   2.290   8.113 -13.824
  822   2HG   LYS 102           HG2      LYS 102   1.563   6.477 -13.925
  823   1HD   LYS 102           HD1      LYS 102  -0.630   8.169 -14.289
  824   2HD   LYS 102           HD2      LYS 102   0.692   8.978 -15.165
  825   1HE   LYS 102           HE1      LYS 102   0.975   7.242 -16.642
  826   2HE   LYS 102           HE2      LYS 102   0.425   5.984 -15.444
  827   1HZ   LYS 102           HZ1      LYS 102  -1.808   6.894 -15.664
  828   2HZ   LYS 102           HZ2      LYS 102  -1.244   7.870 -16.950
  829   3HZ   LYS 102           HZ3      LYS 102  -1.203   6.172 -17.090
  830    H    ALA 103           H        ALA 103  -0.449   9.530  -9.544
  831    HA   ALA 103           HA       ALA 103  -3.240   9.287 -10.373
  832   1HB   ALA 103           HB2      ALA 103  -1.739   9.197  -7.758
  833   2HB   ALA 103           HB3      ALA 103  -3.440   9.688  -7.714
  834   3HB   ALA 103           HB1      ALA 103  -2.961   8.098  -8.399
  835    H    ALA 104           H        ALA 104  -0.892  11.724  -9.940
  836    HA   ALA 104           HA       ALA 104  -2.464  13.683 -10.986
  837   1HB   ALA 104           HB2      ALA 104  -3.555  13.560  -8.651
  838   2HB   ALA 104           HB3      ALA 104  -2.098  14.338  -8.050
  839   3HB   ALA 104           HB1      ALA 104  -3.111  15.171  -9.202
  840    H    ALA 105           H        ALA 105  -1.028  14.961 -12.014
  841    HA   ALA 105           HA       ALA 105   1.670  15.328 -10.951
  842   1HB   ALA 105           HB3      ALA 105   1.051  14.555 -13.438
  843   2HB   ALA 105           HB1      ALA 105   0.742  16.264 -13.665
  844   3HB   ALA 105           HB2      ALA 105   2.357  15.706 -13.210
  845    H    ASN 106           H        ASN 106   2.539  17.343 -10.443
  846    HA   ASN 106           HA       ASN 106   2.379  19.605 -11.666
  847   1HB   ASN 106           HB1      ASN 106   0.137  20.186 -11.658
  848   2HB   ASN 106           HB2      ASN 106  -0.147  19.408 -10.077
  849   1HD2  ASN 106          1HD2      ASN 106  -0.077  22.508  -8.457
  850   2HD2  ASN 106          2HD2      ASN 106  -0.352  20.739  -8.305
   
  No H/Q in entry =         850
  Start of MODEL    4
    1    H    MET   1           H        MET   1  10.693  16.160   5.775
    2    HA   MET   1           HA       MET   1   9.498  18.756   6.162
    3   1HB   MET   1           HB1      MET   1  11.139  18.191   3.775
    4   2HB   MET   1           HB2      MET   1   9.457  18.535   3.320
    5   1HG   MET   1           HG1      MET   1  10.223  20.674   3.398
    6   2HG   MET   1           HG2      MET   1   9.793  20.536   5.113
    7   1HE   MET   1           HE2      MET   1  10.862  21.877   6.332
    8   2HE   MET   1           HE3      MET   1  11.964  20.812   7.175
    9   3HE   MET   1           HE1      MET   1  12.601  22.256   6.373
   10    H    GLU   2           H        GLU   2   8.296  16.774   7.159
   11    HA   GLU   2           HA       GLU   2   6.256  15.934   7.293
   12   1HB   GLU   2           HB1      GLU   2   5.462  17.679   5.855
   13   2HB   GLU   2           HB2      GLU   2   5.939  16.795   4.402
   14   1HG   GLU   2           HG1      GLU   2   4.284  14.901   5.429
   15   2HG   GLU   2           HG2      GLU   2   3.619  16.302   6.300
   16    H    LYS   3           H        LYS   3   7.325  13.762   7.618
   17    HA   LYS   3           HA       LYS   3   7.455  11.772   5.676
   18   1HB   LYS   3           HB1      LYS   3   7.512  11.833   8.485
   19   2HB   LYS   3           HB2      LYS   3   6.147  10.780   8.098
   20   1HG   LYS   3           HG1      LYS   3   8.216   9.433   8.198
   21   2HG   LYS   3           HG2      LYS   3   7.537   9.400   6.568
   22   1HD   LYS   3           HD1      LYS   3  10.031   9.597   6.642
   23   2HD   LYS   3           HD2      LYS   3   9.203  10.813   5.672
   24   1HE   LYS   3           HE1      LYS   3   9.416  11.770   8.425
   25   2HE   LYS   3           HE2      LYS   3  11.048  11.295   7.812
   26   1HZ   LYS   3           HZ1      LYS   3  10.522  12.600   5.798
   27   2HZ   LYS   3           HZ2      LYS   3   9.110  13.155   6.587
   28   3HZ   LYS   3           HZ3      LYS   3  10.645  13.520   7.249
   29    H    LYS   4           H        LYS   4   6.130  10.332   4.668
   30    HA   LYS   4           HA       LYS   4   3.203  10.682   5.011
   31   1HB   LYS   4           HB1      LYS   4   4.865  10.313   2.611
   32   2HB   LYS   4           HB2      LYS   4   3.412   9.273   2.660
   33   1HG   LYS   4           HG1      LYS   4   2.736  11.401   1.692
   34   2HG   LYS   4           HG2      LYS   4   2.118  11.398   3.351
   35   1HD   LYS   4           HD1      LYS   4   3.201  13.255   3.844
   36   2HD   LYS   4           HD2      LYS   4   4.746  12.519   3.336
   37   1HE   LYS   4           HE1      LYS   4   2.891  13.380   1.100
   38   2HE   LYS   4           HE2      LYS   4   3.598  14.699   2.071
   39   1HZ   LYS   4           HZ1      LYS   4   5.768  13.645   1.638
   40   2HZ   LYS   4           HZ2      LYS   4   5.008  12.506   0.613
   41   3HZ   LYS   4           HZ3      LYS   4   4.979  14.177   0.215
   42    H    HIS   5           H        HIS   5   1.953   8.623   4.293
   43    HA   HIS   5           HA       HIS   5   3.132   6.176   5.444
   44   1HB   HIS   5           HB1      HIS   5   0.273   7.133   5.818
   45   2HB   HIS   5           HB2      HIS   5   0.955   5.564   6.363
   46    HD1  HIS   5           HD1      HIS   5  -0.147   7.623   8.478
   47    HD2  HIS   5           HD2      HIS   5   3.826   7.174   7.343
   48    HE1  HIS   5           HE1      HIS   5   1.334   8.969  10.197
   49    H    ILE   6           H        ILE   6   3.126   4.433   4.221
   50    HA   ILE   6           HA       ILE   6   1.355   4.179   1.879
   51    HB   ILE   6           HB       ILE   6   4.203   3.435   2.253
   52   1HG1  ILE   6          1HG1      ILE   6   2.977   4.040  -0.444
   53   2HG1  ILE   6          2HG1      ILE   6   3.007   5.379   0.705
   54   1HG2  ILE   6          3HG2      ILE   6   2.411   1.372   1.308
   55   2HG2  ILE   6          1HG2      ILE   6   3.616   1.909   0.110
   56   3HG2  ILE   6          2HG2      ILE   6   4.091   1.408   1.756
   57   1HD1  ILE   6           HD1      ILE   6   5.494   4.636   0.974
   58   2HD1  ILE   6           HD2      ILE   6   5.315   4.033  -0.687
   59   3HD1  ILE   6           HD3      ILE   6   5.002   5.699  -0.355
   60    H    TYR   7           H        TYR   7  -0.391   3.274   2.888
   61    HA   TYR   7           HA       TYR   7  -0.082   0.930   4.639
   62   1HB   TYR   7           HB1      TYR   7  -2.526   2.666   4.110
   63   2HB   TYR   7           HB2      TYR   7  -2.493   1.155   5.073
   64    HD1  TYR   7           HD1      TYR   7   0.496   2.012   6.071
   65    HD2  TYR   7           HD2      TYR   7  -3.464   3.644   6.066
   66    HE1  TYR   7           HE1      TYR   7   1.196   3.701   7.843
   67    HE2  TYR   7           HE2      TYR   7  -2.992   4.784   8.292
   68    HH   TYR   7           HH       TYR   7  -1.400   5.468   9.658
   69    H    LEU   8           H        LEU   8  -0.785  -1.041   4.130
   70    HA   LEU   8           HA       LEU   8  -1.534  -1.647   1.310
   71   1HB   LEU   8           HB1      LEU   8   0.553  -2.774   3.236
   72   2HB   LEU   8           HB2      LEU   8  -0.184  -3.889   2.054
   73    HG   LEU   8           HG       LEU   8   0.646  -2.149   0.328
   74   1HD1  LEU   8          1HD1      LEU   8   1.861  -1.093   2.606
   75   2HD1  LEU   8          2HD1      LEU   8   3.089  -1.519   1.439
   76   3HD1  LEU   8          3HD1      LEU   8   1.751  -0.488   0.926
   77   1HD2  LEU   8          3HD2      LEU   8   1.355  -4.670   0.923
   78   2HD2  LEU   8          1HD2      LEU   8   2.441  -3.669  -0.093
   79   3HD2  LEU   8          2HD2      LEU   8   2.751  -3.908   1.631
   80    H    PHE   9           H        PHE   9  -3.245  -3.248   1.084
   81    HA   PHE   9           HA       PHE   9  -4.717  -3.786   3.618
   82   1HB   PHE   9           HB1      PHE   9  -5.831  -2.517   1.147
   83   2HB   PHE   9           HB2      PHE   9  -6.747  -3.051   2.576
   84    HD1  PHE   9           HD2      PHE   9  -4.096  -2.164   4.230
   85    HD2  PHE   9           HD1      PHE   9  -6.528  -0.158   1.355
   86    HE1  PHE   9           HE2      PHE   9  -4.564  -0.340   5.908
   87    HE2  PHE   9           HE1      PHE   9  -6.639   1.838   2.885
   88    HZ   PHE   9           HZ       PHE   9  -5.026   1.905   4.844
   89    H    SER  10           H        SER  10  -4.802  -6.079   3.876
   90    HA   SER  10           HA       SER  10  -3.296  -7.600   2.578
   91   1HB   SER  10           HB1      SER  10  -4.277  -8.555   4.474
   92   2HB   SER  10           HB2      SER  10  -5.965  -8.366   3.812
   93    HG   SER  10           HG       SER  10  -5.128 -10.585   3.800
   94    H    SER  11           H        SER  11  -6.368  -9.224   1.834
   95    HA   SER  11           HA       SER  11  -7.122  -9.522  -0.417
   96   1HB   SER  11           HB1      SER  11  -4.914  -8.512  -1.416
   97   2HB   SER  11           HB2      SER  11  -4.256 -10.165  -1.243
   98    HG   SER  11           HG       SER  11  -5.411  -9.727  -3.295
   99    H    ALA  12           H        ALA  12  -4.154 -11.398   0.625
  100    HA   ALA  12           HA       ALA  12  -5.903 -13.726   1.095
  101   1HB   ALA  12           HB2      ALA  12  -4.700 -14.069  -1.057
  102   2HB   ALA  12           HB3      ALA  12  -3.187 -13.866  -0.247
  103   3HB   ALA  12           HB1      ALA  12  -4.223 -15.251   0.168
  104    H    GLY  13           H        GLY  13  -3.939 -11.488   2.517
  105   1HA   GLY  13           HA1      GLY  13  -2.250 -11.318   3.947
  106   2HA   GLY  13           HA2      GLY  13  -2.903 -12.770   4.767
  107    H    MET  14           H        MET  14  -0.179 -12.373   4.871
  108    HA   MET  14           HA       MET  14   1.782 -13.257   4.608
  109   1HB   MET  14           HB1      MET  14   0.136 -15.455   4.265
  110   2HB   MET  14           HB2      MET  14   0.861 -15.429   2.643
  111   1HG   MET  14           HG1      MET  14   2.597 -16.563   3.533
  112   2HG   MET  14           HG2      MET  14   3.081 -15.118   4.455
  113   1HE   MET  14           HE1      MET  14   3.164 -14.703   6.360
  114   2HE   MET  14           HE2      MET  14   1.645 -14.762   7.293
  115   3HE   MET  14           HE3      MET  14   3.041 -15.715   7.802
  116    H    SER  15           H        SER  15   0.064 -12.334   1.712
  117    HA   SER  15           HA       SER  15   2.698 -11.216   0.854
  118   1HB   SER  15           HB1      SER  15   0.048 -11.538  -0.539
  119   2HB   SER  15           HB2      SER  15   1.250 -10.265  -1.033
  120    HG   SER  15           HG       SER  15   1.444 -12.306  -2.174
  121    H    THR  16           H        THR  16   2.664  -8.901   0.432
  122    HA   THR  16           HA       THR  16   2.760  -6.797   1.088
  123    HB   THR  16           HB       THR  16   0.554  -6.290   1.423
  124    HG1  THR  16           HG1      THR  16   0.901  -4.845   3.320
  125   1HG2  THR  16          1HG2      THR  16  -0.163  -8.219   2.979
  126   2HG2  THR  16          2HG2      THR  16   0.085  -6.959   4.198
  127   3HG2  THR  16          3HG2      THR  16  -1.004  -6.660   2.855
  128    H    SER  17           H        SER  17   2.706  -9.235   3.828
  129    HA   SER  17           HA       SER  17   3.437  -7.453   5.855
  130   1HB   SER  17           HB1      SER  17   3.156 -10.377   5.497
  131   2HB   SER  17           HB2      SER  17   4.569 -10.041   6.521
  132    HG   SER  17           HG       SER  17   2.554 -10.300   7.701
  133    H    LEU  18           H        LEU  18   5.425  -9.308   3.555
  134    HA   LEU  18           HA       LEU  18   7.899  -8.266   4.707
  135   1HB   LEU  18           HB1      LEU  18   7.011 -10.866   3.750
  136   2HB   LEU  18           HB2      LEU  18   8.118 -10.266   2.487
  137    HG   LEU  18           HG       LEU  18   8.718 -11.018   5.342
  138   1HD1  LEU  18          3HD1      LEU  18   8.463 -12.588   3.312
  139   2HD1  LEU  18          1HD1      LEU  18  10.123 -12.134   3.067
  140   3HD1  LEU  18          2HD1      LEU  18   9.642 -12.926   4.573
  141   1HD2  LEU  18          3HD2      LEU  18   9.926  -8.766   4.313
  142   2HD2  LEU  18          1HD2      LEU  18  10.857  -9.941   5.194
  143   3HD2  LEU  18          2HD2      LEU  18  10.864  -9.984   3.443
  144    H    LEU  19           H        LEU  19   5.654  -7.661   2.215
  145    HA   LEU  19           HA       LEU  19   7.356  -6.236   0.435
  146   1HB   LEU  19           HB1      LEU  19   4.465  -6.147   1.503
  147   2HB   LEU  19           HB2      LEU  19   4.961  -4.831   0.463
  148    HG   LEU  19           HG       LEU  19   3.962  -7.426  -0.226
  149   1HD1  LEU  19          2HD1      LEU  19   3.948  -4.827  -1.624
  150   2HD1  LEU  19          3HD1      LEU  19   3.728  -6.356  -2.504
  151   3HD1  LEU  19          1HD1      LEU  19   2.678  -5.932  -1.128
  152   1HD2  LEU  19          2HD2      LEU  19   6.560  -7.624  -0.697
  153   2HD2  LEU  19          3HD2      LEU  19   5.420  -8.136  -1.959
  154   3HD2  LEU  19          1HD2      LEU  19   6.170  -6.568  -2.070
  155    H    VAL  20           H        VAL  20   5.317  -5.380   3.245
  156    HA   VAL  20           HA       VAL  20   5.960  -2.568   3.376
  157    HB   VAL  20           HB       VAL  20   4.542  -4.411   5.248
  158   1HG1  VAL  20          1HG1      VAL  20   5.430  -1.748   5.810
  159   2HG1  VAL  20          2HG1      VAL  20   3.728  -2.159   6.202
  160   3HG1  VAL  20          3HG1      VAL  20   5.040  -3.060   6.954
  161   1HG2  VAL  20          3HG2      VAL  20   3.860  -2.711   2.952
  162   2HG2  VAL  20          1HG2      VAL  20   2.979  -4.076   3.680
  163   3HG2  VAL  20          2HG2      VAL  20   2.856  -2.427   4.355
  164    H    SER  21           H        SER  21   7.507  -5.480   4.737
  165    HA   SER  21           HA       SER  21   9.100  -3.889   6.613
  166   1HB   SER  21           HB1      SER  21   8.524  -6.878   6.362
  167   2HB   SER  21           HB2      SER  21   9.943  -6.280   7.287
  168    HG   SER  21           HG       SER  21   7.999  -6.584   8.577
  169    H    LYS  22           H        LYS  22   9.394  -5.828   3.605
  170    HA   LYS  22           HA       LYS  22  12.207  -5.706   3.398
  171   1HB   LYS  22           HB1      LYS  22  10.493  -7.231   2.203
  172   2HB   LYS  22           HB2      LYS  22  10.284  -5.858   1.093
  173   1HG   LYS  22           HG1      LYS  22  12.852  -5.922   0.762
  174   2HG   LYS  22           HG2      LYS  22  12.772  -7.483   1.622
  175   1HD   LYS  22           HD1      LYS  22  10.897  -7.114  -0.684
  176   2HD   LYS  22           HD2      LYS  22  12.630  -7.232  -1.091
  177   1HE   LYS  22           HE1      LYS  22  11.181  -9.274   0.695
  178   2HE   LYS  22           HE2      LYS  22  11.387  -9.458  -1.071
  179   1HZ   LYS  22           HZ1      LYS  22  13.791  -9.204  -0.704
  180   2HZ   LYS  22           HZ2      LYS  22  13.509  -9.211   0.981
  181   3HZ   LYS  22           HZ3      LYS  22  13.125 -10.589   0.089
  182    H    MET  23           H        MET  23   9.360  -3.897   2.484
  183    HA   MET  23           HA       MET  23  10.352  -1.811   0.940
  184   1HB   MET  23           HB1      MET  23   7.831  -2.350   2.413
  185   2HB   MET  23           HB2      MET  23   8.211  -0.653   2.156
  186   1HG   MET  23           HG1      MET  23   8.917  -1.929  -0.279
  187   2HG   MET  23           HG2      MET  23   7.358  -2.611   0.171
  188   1HE   MET  23           HE1      MET  23   5.417  -1.566   0.564
  189   2HE   MET  23           HE2      MET  23   4.962   0.141   0.488
  190   3HE   MET  23           HE3      MET  23   4.946  -0.826  -1.001
  191    H    ARG  24           H        ARG  24   9.099  -1.163   4.328
  192    HA   ARG  24           HA       ARG  24  10.412   0.802   5.351
  193   1HB   ARG  24           HB1      ARG  24  10.012  -1.949   6.459
  194   2HB   ARG  24           HB2      ARG  24  10.869  -0.694   7.434
  195   1HG   ARG  24           HG1      ARG  24   8.988   0.640   7.626
  196   2HG   ARG  24           HG2      ARG  24   8.230  -0.045   6.161
  197   1HD   ARG  24           HD1      ARG  24   7.377  -1.876   7.220
  198   2HD   ARG  24           HD2      ARG  24   8.662  -1.899   8.456
  199    HE   ARG  24           HE       ARG  24   6.302  -0.074   8.323
  200   1HH1  ARG  24          2HH1      ARG  24   8.975  -1.071  10.162
  201   2HH1  ARG  24          1HH1      ARG  24   8.104  -0.683  11.807
  202   1HH2  ARG  24          2HH2      ARG  24   5.461   0.492  10.187
  203   2HH2  ARG  24          1HH2      ARG  24   6.462   0.288  11.800
  204    H    ALA  25           H        ALA  25  12.004  -2.288   4.605
  205    HA   ALA  25           HA       ALA  25  14.641  -1.745   5.403
  206   1HB   ALA  25           HB3      ALA  25  13.580  -3.993   4.578
  207   2HB   ALA  25           HB1      ALA  25  14.017  -3.405   2.952
  208   3HB   ALA  25           HB2      ALA  25  15.249  -3.677   4.185
  209    H    GLN  26           H        GLN  26  13.079  -1.265   2.159
  210    HA   GLN  26           HA       GLN  26  15.372   0.249   1.145
  211   1HB   GLN  26           HB1      GLN  26  13.944   0.390  -0.919
  212   2HB   GLN  26           HB2      GLN  26  14.368  -1.250  -0.366
  213   1HG   GLN  26           HG1      GLN  26  11.694  -0.491   0.597
  214   2HG   GLN  26           HG2      GLN  26  11.842  -0.223  -1.160
  215   1HE2  GLN  26          1HE2      GLN  26  12.424  -3.595  -1.925
  216   2HE2  GLN  26          2HE2      GLN  26  13.703  -2.362  -1.794
  217    H    ALA  27           H        ALA  27  13.114   0.973   3.401
  218    HA   ALA  27           HA       ALA  27  13.179   3.846   2.652
  219   1HB   ALA  27           HB1      ALA  27  11.295   2.252   4.229
  220   2HB   ALA  27           HB2      ALA  27  11.912   3.642   5.153
  221   3HB   ALA  27           HB3      ALA  27  11.121   3.897   3.607
  222    H    GLU  28           H        GLU  28  14.383   1.314   4.844
  223    HA   GLU  28           HA       GLU  28  15.897   2.914   6.582
  224   1HB   GLU  28           HB1      GLU  28  15.825  -0.031   5.879
  225   2HB   GLU  28           HB2      GLU  28  17.018   0.617   7.041
  226   1HG   GLU  28           HG1      GLU  28  15.486   0.736   8.683
  227   2HG   GLU  28           HG2      GLU  28  14.275   1.532   7.668
  228    H    LYS  29           H        LYS  29  16.848   0.531   3.966
  229    HA   LYS  29           HA       LYS  29  19.213   1.219   2.975
  230   1HB   LYS  29           HB1      LYS  29  17.004  -0.001   2.093
  231   2HB   LYS  29           HB2      LYS  29  17.022   1.457   1.057
  232   1HG   LYS  29           HG1      LYS  29  18.323  -0.025  -0.210
  233   2HG   LYS  29           HG2      LYS  29  19.639   0.613   0.801
  234   1HD   LYS  29           HD1      LYS  29  19.775  -1.785   0.654
  235   2HD   LYS  29           HD2      LYS  29  19.316  -1.346   2.328
  236   1HE   LYS  29           HE1      LYS  29  16.857  -1.419   0.820
  237   2HE   LYS  29           HE2      LYS  29  17.790  -2.826   0.331
  238   1HZ   LYS  29           HZ1      LYS  29  18.107  -3.359   2.718
  239   2HZ   LYS  29           HZ2      LYS  29  17.099  -2.055   3.095
  240   3HZ   LYS  29           HZ3      LYS  29  16.447  -3.358   2.233
  241    H    TYR  30           H        TYR  30  16.294   3.092   2.050
  242    HA   TYR  30           HA       TYR  30  17.933   4.911   0.444
  243   1HB   TYR  30           HB1      TYR  30  15.158   3.858   0.349
  244   2HB   TYR  30           HB2      TYR  30  15.692   5.270  -0.617
  245    HD1  TYR  30           HD2      TYR  30  18.299   4.605  -1.458
  246    HD2  TYR  30           HD1      TYR  30  14.904   2.015  -0.954
  247    HE1  TYR  30           HE2      TYR  30  19.084   3.192  -3.435
  248    HE2  TYR  30           HE1      TYR  30  15.918   0.354  -2.540
  249    HH   TYR  30           HH       TYR  30  18.855   1.293  -4.454
  250    H    GLU  31           H        GLU  31  15.648   4.808   3.165
  251    HA   GLU  31           HA       GLU  31  15.118   6.320   4.726
  252   1HB   GLU  31           HB1      GLU  31  17.295   7.470   3.882
  253   2HB   GLU  31           HB2      GLU  31  16.226   8.555   2.972
  254   1HG   GLU  31           HG1      GLU  31  17.041   8.735   5.764
  255   2HG   GLU  31           HG2      GLU  31  16.044   9.870   4.792
  256    H    VAL  32           H        VAL  32  13.760   5.724   1.958
  257    HA   VAL  32           HA       VAL  32  12.452   7.662   0.693
  258    HB   VAL  32           HB       VAL  32  11.644   4.859   1.328
  259   1HG1  VAL  32          3HG1      VAL  32   9.549   6.499   0.753
  260   2HG1  VAL  32          1HG1      VAL  32  10.162   6.052  -0.829
  261   3HG1  VAL  32          2HG1      VAL  32   9.700   4.807   0.377
  262   1HG2  VAL  32          3HG2      VAL  32  13.609   5.515  -0.214
  263   2HG2  VAL  32          1HG2      VAL  32  12.391   4.334  -0.772
  264   3HG2  VAL  32          2HG2      VAL  32  12.382   5.982  -1.387
  265    HA   PRO  33           HA       PRO  33  10.430   9.535   4.261
  266   1HB   PRO  33           HB1      PRO  33   9.554  11.369   1.984
  267   2HB   PRO  33           HB2      PRO  33  10.032  11.854   3.630
  268   1HG   PRO  33           HG1      PRO  33  11.856  12.011   1.660
  269   2HG   PRO  33           HG2      PRO  33  12.381  11.295   3.202
  270   1HD   PRO  33           HD2      PRO  33  11.549   9.832   0.623
  271   2HD   PRO  33           HD1      PRO  33  12.916   9.429   1.732
  272    H    VAL  34           H        VAL  34   9.168   7.650   4.346
  273    HA   VAL  34           HA       VAL  34   6.587   8.454   5.059
  274    HB   VAL  34           HB       VAL  34   5.397   8.270   3.255
  275   1HG1  VAL  34          3HG1      VAL  34   7.797   7.328   1.815
  276   2HG1  VAL  34          1HG1      VAL  34   6.167   7.100   1.190
  277   3HG1  VAL  34          2HG1      VAL  34   6.722   8.728   1.615
  278   1HG2  VAL  34          1HG2      VAL  34   6.073   5.305   3.492
  279   2HG2  VAL  34          2HG2      VAL  34   4.631   6.039   4.132
  280   3HG2  VAL  34          3HG2      VAL  34   4.784   5.945   2.401
  281    H    ILE  35           H        ILE  35   5.481   6.804   6.306
  282    HA   ILE  35           HA       ILE  35   6.941   4.394   7.060
  283    HB   ILE  35           HB       ILE  35   4.556   5.644   8.369
  284   1HG1  ILE  35          1HG1      ILE  35   6.048   7.158   9.078
  285   2HG1  ILE  35          2HG1      ILE  35   6.726   5.856  10.128
  286   1HG2  ILE  35          2HG2      ILE  35   5.942   3.094   8.921
  287   2HG2  ILE  35          3HG2      ILE  35   5.374   4.016  10.299
  288   3HG2  ILE  35          1HG2      ILE  35   4.222   3.585   9.067
  289   1HD1  ILE  35           HD3      ILE  35   8.327   5.363   8.239
  290   2HD1  ILE  35           HD1      ILE  35   7.800   7.009   7.689
  291   3HD1  ILE  35           HD2      ILE  35   8.649   6.730   9.217
  292    H    ILE  36           H        ILE  36   6.493   2.535   6.035
  293    HA   ILE  36           HA       ILE  36   4.038   1.997   4.528
  294    HB   ILE  36           HB       ILE  36   6.332   0.197   4.920
  295   1HG1  ILE  36          1HG1      ILE  36   6.669   1.304   2.347
  296   2HG1  ILE  36          2HG1      ILE  36   6.361   2.740   3.377
  297   1HG2  ILE  36          3HG2      ILE  36   4.014   0.062   3.076
  298   2HG2  ILE  36          1HG2      ILE  36   5.621  -0.659   2.707
  299   3HG2  ILE  36          2HG2      ILE  36   4.761  -1.107   4.159
  300   1HD1  ILE  36           HD3      ILE  36   8.526   0.690   3.811
  301   2HD1  ILE  36           HD1      ILE  36   8.657   2.348   3.101
  302   3HD1  ILE  36           HD2      ILE  36   8.348   2.063   4.798
  303    H    GLU  37           H        GLU  37   2.288   1.129   5.650
  304    HA   GLU  37           HA       GLU  37   2.850  -0.969   7.596
  305   1HB   GLU  37           HB1      GLU  37   0.692   1.125   8.088
  306   2HB   GLU  37           HB2      GLU  37   1.175  -0.222   9.177
  307   1HG   GLU  37           HG1      GLU  37   3.119   0.814   9.812
  308   2HG   GLU  37           HG2      GLU  37   3.249   1.821   8.317
  309    H    ALA  38           H        ALA  38   1.903  -2.784   6.904
  310    HA   ALA  38           HA       ALA  38  -0.369  -2.906   5.058
  311   1HB   ALA  38           HB2      ALA  38   1.655  -4.610   5.287
  312   2HB   ALA  38           HB3      ALA  38   0.775  -5.224   6.687
  313   3HB   ALA  38           HB1      ALA  38   0.022  -5.265   5.094
  314    H    PHE  39           H        PHE  39  -2.213  -4.178   5.441
  315    HA   PHE  39           HA       PHE  39  -3.592  -4.236   7.992
  316   1HB   PHE  39           HB1      PHE  39  -3.966  -2.181   6.016
  317   2HB   PHE  39           HB2      PHE  39  -5.079  -2.513   7.332
  318    HD1  PHE  39           HD1      PHE  39  -3.533  -3.066   9.483
  319    HD2  PHE  39           HD2      PHE  39  -2.494  -0.307   6.382
  320    HE1  PHE  39           HE1      PHE  39  -2.401  -1.609  11.194
  321    HE2  PHE  39           HE2      PHE  39  -1.419   1.219   8.057
  322    HZ   PHE  39           HZ       PHE  39  -1.164   0.465  10.416
  323    HA   PRO  40           HA       PRO  40  -6.452  -6.049   4.776
  324   1HB   PRO  40           HB1      PRO  40  -8.544  -6.826   6.227
  325   2HB   PRO  40           HB2      PRO  40  -7.052  -7.785   6.280
  326   1HG   PRO  40           HG1      PRO  40  -7.990  -5.703   8.283
  327   2HG   PRO  40           HG2      PRO  40  -7.285  -7.279   8.631
  328   1HD   PRO  40           HD2      PRO  40  -5.833  -4.848   8.607
  329   2HD   PRO  40           HD1      PRO  40  -5.089  -6.435   8.302
  330    H    GLU  41           H        GLU  41  -7.724  -5.202   3.472
  331    HA   GLU  41           HA       GLU  41  -8.550  -2.758   3.103
  332   1HB   GLU  41           HB1      GLU  41 -10.632  -3.666   1.978
  333   2HB   GLU  41           HB2      GLU  41  -9.138  -4.508   1.558
  334   1HG   GLU  41           HG1      GLU  41  -9.816  -6.106   3.493
  335   2HG   GLU  41           HG2      GLU  41 -11.453  -5.479   3.150
  336    H    THR  42           H        THR  42 -10.218  -4.819   5.530
  337    HA   THR  42           HA       THR  42 -12.266  -3.260   6.394
  338    HB   THR  42           HB       THR  42 -12.477  -4.818   7.859
  339    HG1  THR  42           HG1      THR  42 -11.182  -4.530   9.890
  340   1HG2  THR  42          3HG2      THR  42  -9.803  -5.730   7.100
  341   2HG2  THR  42          1HG2      THR  42 -10.622  -6.338   8.569
  342   3HG2  THR  42          2HG2      THR  42 -11.401  -6.452   6.985
  343    H    LEU  43           H        LEU  43  -8.888  -2.432   6.418
  344    HA   LEU  43           HA       LEU  43  -9.063  -0.394   8.587
  345   1HB   LEU  43           HB1      LEU  43  -7.403  -2.769   8.178
  346   2HB   LEU  43           HB2      LEU  43  -6.352  -1.322   8.075
  347    HG   LEU  43           HG       LEU  43  -6.465  -0.898  10.240
  348   1HD1  LEU  43          1HD1      LEU  43  -9.201  -1.685  10.273
  349   2HD1  LEU  43          2HD1      LEU  43  -8.358  -1.695  11.811
  350   3HD1  LEU  43          3HD1      LEU  43  -8.346  -0.226  10.857
  351   1HD2  LEU  43          2HD2      LEU  43  -5.657  -3.320   9.778
  352   2HD2  LEU  43          3HD2      LEU  43  -6.060  -2.964  11.462
  353   3HD2  LEU  43          1HD2      LEU  43  -7.227  -3.842  10.448
  354    H    ALA  44           H        ALA  44  -9.423  -0.434   5.463
  355    HA   ALA  44           HA       ALA  44  -7.506   1.597   4.816
  356   1HB   ALA  44           HB3      ALA  44  -8.454  -0.006   3.185
  357   2HB   ALA  44           HB1      ALA  44 -10.004   0.800   3.299
  358   3HB   ALA  44           HB2      ALA  44  -8.644   1.696   2.665
  359    H    GLY  45           H        GLY  45 -11.080   1.269   5.510
  360   1HA   GLY  45           HA1      GLY  45 -12.103   3.645   6.138
  361   2HA   GLY  45           HA2      GLY  45 -12.121   2.281   7.267
  362    H    GLU  46           H        GLU  46  -9.921   2.028   8.543
  363    HA   GLU  46           HA       GLU  46  -9.775   4.464  10.168
  364   1HB   GLU  46           HB1      GLU  46 -10.194   2.452  11.338
  365   2HB   GLU  46           HB2      GLU  46  -8.882   1.565  10.564
  366   1HG   GLU  46           HG1      GLU  46  -8.384   2.212  12.886
  367   2HG   GLU  46           HG2      GLU  46  -7.259   3.071  11.801
  368    H    LYS  47           H        LYS  47  -7.463   2.222   8.357
  369    HA   LYS  47           HA       LYS  47  -5.143   3.730   9.078
  370   1HB   LYS  47           HB1      LYS  47  -5.793   1.254   7.557
  371   2HB   LYS  47           HB2      LYS  47  -4.233   2.078   7.189
  372   1HG   LYS  47           HG1      LYS  47  -4.244   0.262   9.112
  373   2HG   LYS  47           HG2      LYS  47  -3.362   1.802   9.333
  374   1HD   LYS  47           HD1      LYS  47  -4.814   2.617  10.895
  375   2HD   LYS  47           HD2      LYS  47  -6.180   1.584  10.398
  376   1HE   LYS  47           HE1      LYS  47  -4.696  -0.443  11.245
  377   2HE   LYS  47           HE2      LYS  47  -3.594   0.804  11.876
  378   1HZ   LYS  47           HZ1      LYS  47  -5.506   1.703  13.121
  379   2HZ   LYS  47           HZ2      LYS  47  -6.463   0.405  12.521
  380   3HZ   LYS  47           HZ3      LYS  47  -5.134   0.088  13.550
  381    H    GLY  48           H        GLY  48  -6.862   2.991   6.023
  382   1HA   GLY  48           HA1      GLY  48  -5.836   4.874   4.264
  383   2HA   GLY  48           HA2      GLY  48  -7.525   4.248   4.256
  384    H    GLN  49           H        GLN  49  -8.208   5.526   6.920
  385    HA   GLN  49           HA       GLN  49  -8.491   8.275   6.404
  386   1HB   GLN  49           HB1      GLN  49  -9.799   7.107   8.183
  387   2HB   GLN  49           HB2      GLN  49  -8.294   6.638   8.999
  388   1HG   GLN  49           HG1      GLN  49  -7.969   8.725   9.841
  389   2HG   GLN  49           HG2      GLN  49  -8.961   9.534   8.590
  390   1HE2  GLN  49          1HE2      GLN  49 -10.829   7.845  11.864
  391   2HE2  GLN  49          2HE2      GLN  49  -9.035   7.845  11.776
  392    H    ASN  50           H        ASN  50  -5.941   6.337   8.065
  393    HA   ASN  50           HA       ASN  50  -4.412   8.770   8.816
  394   1HB   ASN  50           HB1      ASN  50  -4.872   6.147  10.141
  395   2HB   ASN  50           HB2      ASN  50  -3.224   6.843  10.243
  396   1HD2  ASN  50          1HD2      ASN  50  -4.448   8.548  13.055
  397   2HD2  ASN  50          2HD2      ASN  50  -3.275   7.340  12.444
  398    H    ALA  51           H        ALA  51  -4.477   7.235   6.108
  399    HA   ALA  51           HA       ALA  51  -1.628   6.770   5.791
  400   1HB   ALA  51           HB3      ALA  51  -4.000   6.272   4.012
  401   2HB   ALA  51           HB1      ALA  51  -2.357   6.099   3.411
  402   3HB   ALA  51           HB2      ALA  51  -2.924   5.076   4.719
  403    H    ASP  52           H        ASP  52  -0.649   7.771   3.715
  404    HA   ASP  52           HA       ASP  52  -1.971  10.224   2.710
  405   1HB   ASP  52           HB1      ASP  52   0.499  10.228   3.668
  406   2HB   ASP  52           HB2      ASP  52   0.925   9.514   2.099
  407    H    VAL  53           H        VAL  53  -0.666   6.974   1.894
  408    HA   VAL  53           HA       VAL  53  -1.924   7.088  -0.715
  409    HB   VAL  53           HB       VAL  53   0.882   5.973  -0.709
  410   1HG1  VAL  53          1HG1      VAL  53  -0.850   5.752  -2.592
  411   2HG1  VAL  53          2HG1      VAL  53  -0.197   7.372  -3.039
  412   3HG1  VAL  53          3HG1      VAL  53   0.879   5.986  -2.905
  413   1HG2  VAL  53          1HG2      VAL  53   0.766   8.414   0.239
  414   2HG2  VAL  53          2HG2      VAL  53   1.941   8.026  -1.028
  415   3HG2  VAL  53          3HG2      VAL  53   0.464   8.874  -1.442
  416    H    VAL  54           H        VAL  54  -3.235   5.318  -0.778
  417    HA   VAL  54           HA       VAL  54  -2.828   3.164   1.199
  418    HB   VAL  54           HB       VAL  54  -5.183   4.649   0.220
  419   1HG1  VAL  54          3HG1      VAL  54  -5.525   2.180  -0.743
  420   2HG1  VAL  54          1HG1      VAL  54  -5.945   1.973   0.962
  421   3HG1  VAL  54          2HG1      VAL  54  -6.769   3.142  -0.065
  422   1HG2  VAL  54          3HG2      VAL  54  -4.155   3.284   2.726
  423   2HG2  VAL  54          1HG2      VAL  54  -4.830   4.926   2.530
  424   3HG2  VAL  54          2HG2      VAL  54  -5.887   3.542   2.588
  425    H    LEU  55           H        LEU  55  -2.346   1.132   0.457
  426    HA   LEU  55           HA       LEU  55  -2.964   0.335  -2.333
  427   1HB   LEU  55           HB1      LEU  55  -0.583  -0.296  -0.464
  428   2HB   LEU  55           HB2      LEU  55  -0.878  -1.166  -2.003
  429    HG   LEU  55           HG       LEU  55   0.690   1.058  -1.592
  430   1HD1  LEU  55          2HD1      LEU  55  -0.060  -0.360  -4.131
  431   2HD1  LEU  55          3HD1      LEU  55   1.131   0.943  -3.979
  432   3HD1  LEU  55          1HD1      LEU  55   1.361  -0.569  -3.094
  433   1HD2  LEU  55          2HD2      LEU  55  -1.878   1.710  -2.971
  434   2HD2  LEU  55          3HD2      LEU  55  -0.953   2.753  -1.886
  435   3HD2  LEU  55          1HD2      LEU  55  -0.379   2.485  -3.544
  436    H    LEU  56           H        LEU  56  -3.549  -2.033  -2.531
  437    HA   LEU  56           HA       LEU  56  -4.704  -3.166  -0.197
  438   1HB   LEU  56           HB1      LEU  56  -6.667  -1.651  -0.287
  439   2HB   LEU  56           HB2      LEU  56  -5.900  -0.927  -1.724
  440    HG   LEU  56           HG       LEU  56  -7.332  -2.815  -2.882
  441   1HD1  LEU  56          2HD1      LEU  56  -8.309  -3.022  -0.134
  442   2HD1  LEU  56          3HD1      LEU  56  -9.411  -3.102  -1.476
  443   3HD1  LEU  56          1HD1      LEU  56  -7.967  -4.222  -1.375
  444   1HD2  LEU  56          3HD2      LEU  56  -8.320  -0.499  -1.143
  445   2HD2  LEU  56          1HD2      LEU  56  -7.728  -0.215  -2.740
  446   3HD2  LEU  56          2HD2      LEU  56  -9.271  -1.094  -2.504
  447    H    GLY  57           H        GLY  57  -4.493  -5.426  -0.843
  448   1HA   GLY  57           HA1      GLY  57  -2.862  -5.900  -2.975
  449   2HA   GLY  57           HA2      GLY  57  -3.880  -7.127  -2.222
  450    HA   PRO  58           HA       PRO  58  -4.797  -6.100  -6.763
  451   1HB   PRO  58           HB1      PRO  58  -3.606  -8.463  -7.886
  452   2HB   PRO  58           HB2      PRO  58  -2.973  -6.818  -7.969
  453   1HG   PRO  58           HG1      PRO  58  -2.250  -9.141  -6.102
  454   2HG   PRO  58           HG2      PRO  58  -1.237  -7.750  -6.602
  455   1HD   PRO  58           HD2      PRO  58  -2.524  -8.082  -4.063
  456   2HD   PRO  58           HD1      PRO  58  -2.027  -6.464  -4.739
  457    H    GLN  59           H        GLN  59  -5.054  -8.989  -4.969
  458    HA   GLN  59           HA       GLN  59  -6.871 -10.298  -6.798
  459   1HB   GLN  59           HB1      GLN  59  -6.392 -11.347  -3.950
  460   2HB   GLN  59           HB2      GLN  59  -6.496 -12.240  -5.451
  461   1HG   GLN  59           HG1      GLN  59  -4.304 -12.279  -5.688
  462   2HG   GLN  59           HG2      GLN  59  -4.149 -10.532  -5.503
  463   1HE2  GLN  59          1HE2      GLN  59  -3.569 -12.715  -2.108
  464   2HE2  GLN  59          2HE2      GLN  59  -4.598 -13.491  -3.395
  465    H    ILE  60           H        ILE  60  -7.026  -8.482  -3.698
  466    HA   ILE  60           HA       ILE  60  -9.746  -8.657  -3.018
  467    HB   ILE  60           HB       ILE  60  -9.004  -7.535  -1.400
  468   1HG1  ILE  60          1HG1      ILE  60 -10.530  -6.018  -2.852
  469   2HG1  ILE  60          2HG1      ILE  60  -9.625  -5.243  -1.526
  470   1HG2  ILE  60          1HG2      ILE  60  -6.778  -7.815  -1.867
  471   2HG2  ILE  60          2HG2      ILE  60  -6.658  -6.253  -2.675
  472   3HG2  ILE  60          3HG2      ILE  60  -7.123  -6.359  -0.958
  473   1HD1  ILE  60           HD1      ILE  60  -7.977  -4.579  -3.367
  474   2HD1  ILE  60           HD2      ILE  60  -9.218  -5.044  -4.531
  475   3HD1  ILE  60           HD3      ILE  60  -9.566  -3.773  -3.429
  476    H    ALA  61           H        ALA  61  -8.181  -6.441  -5.384
  477    HA   ALA  61           HA       ALA  61  -8.866  -5.168  -7.085
  478   1HB   ALA  61           HB2      ALA  61  -9.279  -7.777  -7.790
  479   2HB   ALA  61           HB3      ALA  61 -10.881  -7.075  -8.079
  480   3HB   ALA  61           HB1      ALA  61  -9.473  -6.378  -8.843
  481    H    TYR  62           H        TYR  62 -11.844  -6.759  -5.769
  482    HA   TYR  62           HA       TYR  62 -13.767  -5.199  -7.158
  483   1HB   TYR  62           HB1      TYR  62 -15.353  -6.515  -6.021
  484   2HB   TYR  62           HB2      TYR  62 -13.986  -7.556  -6.502
  485    HD1  TYR  62           HD1      TYR  62 -12.280  -6.472  -3.957
  486    HD2  TYR  62           HD2      TYR  62 -16.112  -8.354  -4.650
  487    HE1  TYR  62           HE1      TYR  62 -12.205  -7.496  -1.680
  488    HE2  TYR  62           HE2      TYR  62 -16.215  -9.068  -2.230
  489    HH   TYR  62           HH       TYR  62 -15.048  -9.272  -0.368
  490    H    MET  63           H        MET  63 -11.982  -4.614  -4.184
  491    HA   MET  63           HA       MET  63 -14.237  -3.485  -2.692
  492   1HB   MET  63           HB1      MET  63 -11.503  -4.491  -2.027
  493   2HB   MET  63           HB2      MET  63 -12.166  -3.182  -1.004
  494   1HG   MET  63           HG1      MET  63 -14.102  -5.348  -1.604
  495   2HG   MET  63           HG2      MET  63 -12.703  -5.812  -0.625
  496   1HE   MET  63           HE2      MET  63 -15.977  -5.306  -0.581
  497   2HE   MET  63           HE3      MET  63 -16.483  -4.490   0.872
  498   3HE   MET  63           HE1      MET  63 -16.086  -3.533  -0.593
  499    H    LEU  64           H        LEU  64 -11.890  -2.483  -4.888
  500    HA   LEU  64           HA       LEU  64 -10.643  -0.175  -3.924
  501   1HB   LEU  64           HB1      LEU  64 -10.321  -1.680  -6.092
  502   2HB   LEU  64           HB2      LEU  64 -11.633  -0.718  -6.834
  503    HG   LEU  64           HG       LEU  64  -9.441  -0.047  -7.640
  504   1HD1  LEU  64          2HD1      LEU  64 -11.339   1.765  -7.034
  505   2HD1  LEU  64          3HD1      LEU  64  -9.912   2.306  -6.138
  506   3HD1  LEU  64          1HD1      LEU  64  -9.803   1.960  -7.897
  507   1HD2  LEU  64          3HD2      LEU  64  -8.086  -0.696  -5.528
  508   2HD2  LEU  64          1HD2      LEU  64  -7.778   0.939  -6.112
  509   3HD2  LEU  64          2HD2      LEU  64  -8.860   0.666  -4.722
  510    HA   PRO  65           HA       PRO  65 -14.526   2.235  -5.416
  511   1HB   PRO  65           HB1      PRO  65 -16.889   0.978  -5.947
  512   2HB   PRO  65           HB2      PRO  65 -15.614   1.174  -7.178
  513   1HG   PRO  65           HG1      PRO  65 -16.227  -1.278  -5.431
  514   2HG   PRO  65           HG2      PRO  65 -15.824  -1.240  -7.153
  515   1HD   PRO  65           HD2      PRO  65 -13.837  -1.729  -5.207
  516   2HD   PRO  65           HD1      PRO  65 -13.513  -0.956  -6.793
  517    H    GLU  66           H        GLU  66 -14.889  -0.440  -3.278
  518    HA   GLU  66           HA       GLU  66 -16.593   0.705  -1.331
  519   1HB   GLU  66           HB1      GLU  66 -16.015  -1.704  -1.398
  520   2HB   GLU  66           HB2      GLU  66 -14.326  -1.307  -1.002
  521   1HG   GLU  66           HG1      GLU  66 -14.849  -1.419   1.153
  522   2HG   GLU  66           HG2      GLU  66 -15.925  -0.002   0.953
  523    H    ILE  67           H        ILE  67 -12.976   0.409  -1.443
  524    HA   ILE  67           HA       ILE  67 -12.243   2.097   0.634
  525    HB   ILE  67           HB       ILE  67 -10.683   1.740  -1.929
  526   1HG1  ILE  67          1HG1      ILE  67 -10.305  -0.406  -0.984
  527   2HG1  ILE  67          2HG1      ILE  67  -9.405   0.459   0.261
  528   1HG2  ILE  67          2HG2      ILE  67 -10.351   3.741  -0.337
  529   2HG2  ILE  67          3HG2      ILE  67  -9.415   2.587   0.574
  530   3HG2  ILE  67          1HG2      ILE  67  -9.043   2.852  -1.140
  531   1HD1  ILE  67           HD3      ILE  67 -11.446   0.716   1.593
  532   2HD1  ILE  67           HD1      ILE  67 -12.244  -0.394   0.405
  533   3HD1  ILE  67           HD2      ILE  67 -10.920  -0.880   1.531
  534    H    GLN  68           H        GLN  68 -12.414   3.009  -2.814
  535    HA   GLN  68           HA       GLN  68 -12.033   5.645  -2.913
  536   1HB   GLN  68           HB1      GLN  68 -13.671   3.562  -4.278
  537   2HB   GLN  68           HB2      GLN  68 -14.086   5.261  -4.693
  538   1HG   GLN  68           HG1      GLN  68 -12.201   3.739  -5.954
  539   2HG   GLN  68           HG2      GLN  68 -12.122   5.497  -5.914
  540   1HE2  GLN  68          1HE2      GLN  68  -9.508   5.560  -3.455
  541   2HE2  GLN  68          2HE2      GLN  68 -10.243   6.447  -4.817
  542    H    ARG  69           H        ARG  69 -15.239   4.128  -1.973
  543    HA   ARG  69           HA       ARG  69 -16.546   6.650  -1.759
  544   1HB   ARG  69           HB1      ARG  69 -17.578   4.025  -0.587
  545   2HB   ARG  69           HB2      ARG  69 -18.508   5.455  -1.057
  546   1HG   ARG  69           HG1      ARG  69 -17.407   4.931  -3.473
  547   2HG   ARG  69           HG2      ARG  69 -17.440   3.267  -2.813
  548   1HD   ARG  69           HD1      ARG  69 -19.942   4.351  -2.109
  549   2HD   ARG  69           HD2      ARG  69 -19.655   4.890  -3.786
  550    HE   ARG  69           HE       ARG  69 -18.965   2.129  -3.407
  551   1HH1  ARG  69          2HH1      ARG  69 -21.645   4.200  -3.828
  552   2HH1  ARG  69          1HH1      ARG  69 -22.707   2.786  -4.536
  553   1HH2  ARG  69          2HH2      ARG  69 -20.197   0.649  -4.306
  554   2HH2  ARG  69          1HH2      ARG  69 -22.048   1.021  -4.658
  555    H    LEU  70           H        LEU  70 -14.779   4.402   0.221
  556    HA   LEU  70           HA       LEU  70 -15.623   5.345   2.840
  557   1HB   LEU  70           HB1      LEU  70 -14.304   3.080   1.657
  558   2HB   LEU  70           HB2      LEU  70 -13.059   3.855   2.652
  559    HG   LEU  70           HG       LEU  70 -15.689   2.838   3.629
  560   1HD1  LEU  70          2HD1      LEU  70 -13.597   1.147   3.037
  561   2HD1  LEU  70          3HD1      LEU  70 -13.515   1.445   4.768
  562   3HD1  LEU  70          1HD1      LEU  70 -15.059   0.932   3.981
  563   1HD2  LEU  70          2HD2      LEU  70 -13.391   4.328   4.896
  564   2HD2  LEU  70          3HD2      LEU  70 -15.090   4.613   5.150
  565   3HD2  LEU  70          1HD2      LEU  70 -14.366   3.195   5.878
  566    H    LEU  71           H        LEU  71 -12.931   6.125   0.558
  567    HA   LEU  71           HA       LEU  71 -12.382   8.532   1.995
  568   1HB   LEU  71           HB1      LEU  71  -9.813   7.226   1.193
  569   2HB   LEU  71           HB2      LEU  71 -10.257   7.808   2.798
  570    HG   LEU  71           HG       LEU  71 -11.234   5.143   2.048
  571   1HD1  LEU  71          1HD1      LEU  71  -8.413   5.517   2.437
  572   2HD1  LEU  71          2HD1      LEU  71  -9.219   3.950   2.501
  573   3HD1  LEU  71          3HD1      LEU  71  -9.255   4.876   1.019
  574   1HD2  LEU  71          3HD2      LEU  71 -11.541   6.311   4.394
  575   2HD2  LEU  71          1HD2      LEU  71 -10.810   4.716   4.383
  576   3HD2  LEU  71          2HD2      LEU  71  -9.793   6.195   4.499
  577    HA   PRO  72           HA       PRO  72 -12.826   8.582  -2.707
  578   1HB   PRO  72           HB1      PRO  72 -13.803  11.225  -1.587
  579   2HB   PRO  72           HB2      PRO  72 -14.281  10.428  -3.112
  580   1HG   PRO  72           HG1      PRO  72 -15.814  10.000  -0.858
  581   2HG   PRO  72           HG2      PRO  72 -15.472   8.630  -1.925
  582   1HD   PRO  72           HD2      PRO  72 -14.129   9.365   0.753
  583   2HD   PRO  72           HD1      PRO  72 -14.422   7.746   0.072
  584    H    ASN  73           H        ASN  73 -10.903  10.352  -0.541
  585    HA   ASN  73           HA       ASN  73  -9.609  11.944  -2.655
  586   1HB   ASN  73           HB1      ASN  73 -11.087  13.569  -1.698
  587   2HB   ASN  73           HB2      ASN  73 -10.689  13.042  -0.025
  588   1HD2  ASN  73          1HD2      ASN  73  -7.507  14.908  -1.772
  589   2HD2  ASN  73          2HD2      ASN  73  -8.406  13.715  -2.767
  590    H    LYS  74           H        LYS  74  -8.472   9.608  -1.922
  591    HA   LYS  74           HA       LYS  74  -5.942  10.768  -0.958
  592   1HB   LYS  74           HB1      LYS  74  -6.784   8.024  -0.064
  593   2HB   LYS  74           HB2      LYS  74  -5.219   8.819   0.202
  594   1HG   LYS  74           HG1      LYS  74  -7.546  10.519   1.098
  595   2HG   LYS  74           HG2      LYS  74  -7.437   8.997   1.977
  596   1HD   LYS  74           HD1      LYS  74  -4.799   9.868   2.081
  597   2HD   LYS  74           HD2      LYS  74  -5.740  11.383   2.088
  598   1HE   LYS  74           HE1      LYS  74  -7.251  10.352   3.850
  599   2HE   LYS  74           HE2      LYS  74  -6.072   8.990   3.993
  600   1HZ   LYS  74           HZ1      LYS  74  -4.367  10.619   4.457
  601   2HZ   LYS  74           HZ2      LYS  74  -5.567  11.848   4.499
  602   3HZ   LYS  74           HZ3      LYS  74  -5.624  10.581   5.645
  603    HA   PRO  75           HA       PRO  75  -4.347   8.519  -4.435
  604   1HB   PRO  75           HB1      PRO  75  -1.639   8.494  -3.837
  605   2HB   PRO  75           HB2      PRO  75  -2.529   9.829  -4.543
  606   1HG   PRO  75           HG1      PRO  75  -1.598   9.436  -1.655
  607   2HG   PRO  75           HG2      PRO  75  -1.881  10.946  -2.554
  608   1HD   PRO  75           HD2      PRO  75  -3.722   9.892  -0.653
  609   2HD   PRO  75           HD1      PRO  75  -4.125  11.107  -1.861
  610    H    VAL  76           H        VAL  76  -5.299   6.714  -4.443
  611    HA   VAL  76           HA       VAL  76  -4.514   4.473  -2.698
  612    HB   VAL  76           HB       VAL  76  -7.025   4.951  -4.241
  613   1HG1  VAL  76          2HG1      VAL  76  -6.353   2.543  -3.667
  614   2HG1  VAL  76          3HG1      VAL  76  -6.927   2.878  -2.060
  615   3HG1  VAL  76          1HG1      VAL  76  -7.994   3.154  -3.446
  616   1HG2  VAL  76          1HG2      VAL  76  -6.010   6.156  -1.821
  617   2HG2  VAL  76          2HG2      VAL  76  -7.606   6.440  -2.526
  618   3HG2  VAL  76          3HG2      VAL  76  -7.407   5.146  -1.387
  619    H    GLU  77           H        GLU  77  -4.381   2.350  -3.538
  620    HA   GLU  77           HA       GLU  77  -5.387   1.435  -5.921
  621   1HB   GLU  77           HB1      GLU  77  -4.024   2.240  -7.476
  622   2HB   GLU  77           HB2      GLU  77  -2.683   2.616  -6.362
  623   1HG   GLU  77           HG1      GLU  77  -1.639   0.587  -6.727
  624   2HG   GLU  77           HG2      GLU  77  -3.179  -0.292  -6.966
  625    H    VAL  78           H        VAL  78  -5.484  -0.776  -5.867
  626    HA   VAL  78           HA       VAL  78  -4.839  -2.579  -4.081
  627    HB   VAL  78           HB       VAL  78  -4.667  -4.228  -5.912
  628   1HG1  VAL  78          3HG1      VAL  78  -7.032  -2.563  -5.512
  629   2HG1  VAL  78          1HG1      VAL  78  -6.799  -3.165  -7.146
  630   3HG1  VAL  78          2HG1      VAL  78  -6.808  -4.269  -5.750
  631   1HG2  VAL  78          2HG2      VAL  78  -3.360  -2.899  -7.555
  632   2HG2  VAL  78          3HG2      VAL  78  -4.919  -3.419  -8.236
  633   3HG2  VAL  78          1HG2      VAL  78  -4.697  -1.716  -7.663
  634    H    ILE  79           H        ILE  79  -3.026  -4.347  -4.102
  635    HA   ILE  79           HA       ILE  79  -0.357  -3.267  -4.817
  636    HB   ILE  79           HB       ILE  79  -0.454  -6.039  -3.785
  637   1HG1  ILE  79          1HG1      ILE  79  -0.347  -3.827  -1.844
  638   2HG1  ILE  79          2HG1      ILE  79  -2.011  -4.201  -2.413
  639   1HG2  ILE  79          1HG2      ILE  79   1.385  -4.034  -4.330
  640   2HG2  ILE  79          2HG2      ILE  79   1.528  -4.760  -2.702
  641   3HG2  ILE  79          3HG2      ILE  79   1.598  -5.777  -4.146
  642   1HD1  ILE  79           HD3      ILE  79  -1.330  -6.619  -1.884
  643   2HD1  ILE  79           HD1      ILE  79  -0.175  -5.788  -0.765
  644   3HD1  ILE  79           HD2      ILE  79  -1.961  -5.627  -0.633
  645    H    ASP  80           H        ASP  80   1.066  -4.454  -6.312
  646    HA   ASP  80           HA       ASP  80   0.012  -5.704  -8.658
  647   1HB   ASP  80           HB1      ASP  80   2.710  -4.851  -7.630
  648   2HB   ASP  80           HB2      ASP  80   2.669  -6.241  -8.734
  649    H    SER  81           H        SER  81   1.553  -7.890  -9.117
  650    HA   SER  81           HA       SER  81  -0.132  -9.690  -7.436
  651   1HB   SER  81           HB1      SER  81  -1.055  -9.269  -9.649
  652   2HB   SER  81           HB2      SER  81   0.515  -9.683 -10.426
  653    HG   SER  81           HG       SER  81  -1.056 -11.443 -10.454
  654    H    LEU  82           H        LEU  82   2.884  -9.218  -9.156
  655    HA   LEU  82           HA       LEU  82   4.137 -11.679  -8.202
  656   1HB   LEU  82           HB1      LEU  82   4.321  -9.654 -10.432
  657   2HB   LEU  82           HB2      LEU  82   5.854 -10.372  -9.970
  658    HG   LEU  82           HG       LEU  82   4.288 -11.197 -11.925
  659   1HD1  LEU  82          2HD1      LEU  82   6.529 -12.508 -10.680
  660   2HD1  LEU  82          3HD1      LEU  82   5.385 -13.555 -11.481
  661   3HD1  LEU  82          1HD1      LEU  82   6.091 -12.162 -12.337
  662   1HD2  LEU  82          3HD2      LEU  82   3.245 -12.763  -9.542
  663   2HD2  LEU  82          1HD2      LEU  82   2.387 -12.037 -10.898
  664   3HD2  LEU  82          2HD2      LEU  82   3.426 -13.522 -11.130
  665    H    LEU  83           H        LEU  83   4.174  -8.075  -8.109
  666    HA   LEU  83           HA       LEU  83   6.608  -7.787  -6.716
  667   1HB   LEU  83           HB1      LEU  83   4.016  -6.171  -7.249
  668   2HB   LEU  83           HB2      LEU  83   5.212  -5.457  -6.162
  669    HG   LEU  83           HG       LEU  83   5.293  -4.450  -8.250
  670   1HD1  LEU  83          3HD1      LEU  83   7.376  -4.761  -6.931
  671   2HD1  LEU  83          1HD1      LEU  83   7.860  -5.817  -8.305
  672   3HD1  LEU  83          2HD1      LEU  83   7.506  -4.112  -8.527
  673   1HD2  LEU  83          3HD2      LEU  83   4.668  -6.849  -9.473
  674   2HD2  LEU  83          1HD2      LEU  83   5.383  -5.474 -10.286
  675   3HD2  LEU  83          2HD2      LEU  83   6.424  -6.830  -9.734
  676    H    TYR  84           H        TYR  84   3.119  -7.938  -5.837
  677    HA   TYR  84           HA       TYR  84   3.207  -8.052  -3.109
  678   1HB   TYR  84           HB1      TYR  84   1.207  -7.829  -4.635
  679   2HB   TYR  84           HB2      TYR  84   1.270  -9.593  -4.871
  680    HD1  TYR  84           HD1      TYR  84   0.999  -6.959  -2.183
  681    HD2  TYR  84           HD2      TYR  84  -0.297 -10.778  -3.691
  682    HE1  TYR  84           HE1      TYR  84   0.233  -7.706   0.126
  683    HE2  TYR  84           HE2      TYR  84  -2.078 -10.800  -1.893
  684    HH   TYR  84           HH       TYR  84  -2.523 -10.114   0.134
  685    H    GLY  85           H        GLY  85   2.727 -10.903  -5.314
  686   1HA   GLY  85           HA1      GLY  85   3.155 -12.754  -3.132
  687   2HA   GLY  85           HA2      GLY  85   2.508 -13.049  -4.754
  688    H    LYS  86           H        LYS  86   5.125 -11.517  -5.789
  689    HA   LYS  86           HA       LYS  86   7.178 -13.493  -4.969
  690   1HB   LYS  86           HB1      LYS  86   7.497 -11.486  -7.226
  691   2HB   LYS  86           HB2      LYS  86   8.516 -12.905  -6.816
  692   1HG   LYS  86           HG1      LYS  86   5.748 -13.777  -7.289
  693   2HG   LYS  86           HG2      LYS  86   6.340 -12.832  -8.677
  694   1HD   LYS  86           HD1      LYS  86   7.993 -14.335  -9.139
  695   2HD   LYS  86           HD2      LYS  86   8.079 -15.024  -7.504
  696   1HE   LYS  86           HE1      LYS  86   5.788 -15.933  -7.715
  697   2HE   LYS  86           HE2      LYS  86   5.711 -15.436  -9.428
  698   1HZ   LYS  86           HZ1      LYS  86   7.725 -16.730  -9.817
  699   2HZ   LYS  86           HZ2      LYS  86   7.593 -17.358  -8.233
  700   3HZ   LYS  86           HZ3      LYS  86   6.380 -17.666  -9.384
  701    H    VAL  87           H        VAL  87   6.006 -10.675  -3.827
  702    HA   VAL  87           HA       VAL  87   6.731  -9.519  -2.049
  703    HB   VAL  87           HB       VAL  87   8.312 -11.957  -1.565
  704   1HG1  VAL  87          2HG1      VAL  87   9.269  -9.948  -0.536
  705   2HG1  VAL  87          3HG1      VAL  87   7.784  -9.779   0.311
  706   3HG1  VAL  87          1HG1      VAL  87   8.690 -11.300   0.523
  707   1HG2  VAL  87          2HG2      VAL  87   5.511 -11.586  -1.510
  708   2HG2  VAL  87          3HG2      VAL  87   6.342 -12.660  -0.419
  709   3HG2  VAL  87          1HG2      VAL  87   6.020 -10.953   0.009
  710    H    ASP  88           H        ASP  88   7.666  -8.187  -4.007
  711    HA   ASP  88           HA       ASP  88  10.394  -7.346  -3.207
  712   1HB   ASP  88           HB1      ASP  88   9.292  -7.634  -5.760
  713   2HB   ASP  88           HB2      ASP  88   9.308  -5.853  -5.432
  714    H    GLY  89           H        GLY  89  10.499  -5.595  -1.799
  715   1HA   GLY  89           HA1      GLY  89   8.410  -3.761  -1.174
  716   2HA   GLY  89           HA2      GLY  89  10.124  -3.706  -0.765
  717    H    LEU  90           H        LEU  90  11.212  -3.697  -3.362
  718    HA   LEU  90           HA       LEU  90  11.638  -0.898  -3.237
  719   1HB   LEU  90           HB1      LEU  90  13.468  -2.490  -3.777
  720   2HB   LEU  90           HB2      LEU  90  12.483  -3.251  -5.032
  721    HG   LEU  90           HG       LEU  90  12.717  -1.267  -6.384
  722   1HD1  LEU  90          2HD1      LEU  90  13.282   0.251  -4.252
  723   2HD1  LEU  90          3HD1      LEU  90  14.832   0.099  -5.028
  724   3HD1  LEU  90          1HD1      LEU  90  13.377   0.662  -5.940
  725   1HD2  LEU  90          1HD2      LEU  90  14.669  -3.258  -5.997
  726   2HD2  LEU  90          2HD2      LEU  90  14.719  -2.049  -7.326
  727   3HD2  LEU  90          3HD2      LEU  90  15.642  -1.805  -5.858
  728    H    GLY  91           H        GLY  91  10.450  -3.032  -5.999
  729   1HA   GLY  91           HA1      GLY  91   9.296  -1.254  -7.672
  730   2HA   GLY  91           HA2      GLY  91   8.571  -2.842  -7.194
  731    H    VAL  92           H        VAL  92   7.800  -2.485  -4.555
  732    HA   VAL  92           HA       VAL  92   5.308  -1.192  -5.121
  733    HB   VAL  92           HB       VAL  92   4.489  -2.470  -3.538
  734   1HG1  VAL  92          3HG1      VAL  92   6.515  -3.855  -5.102
  735   2HG1  VAL  92          1HG1      VAL  92   5.601  -4.694  -3.842
  736   3HG1  VAL  92          2HG1      VAL  92   4.752  -3.849  -5.151
  737   1HG2  VAL  92          3HG2      VAL  92   6.676  -2.130  -1.778
  738   2HG2  VAL  92          1HG2      VAL  92   5.287  -3.212  -1.553
  739   3HG2  VAL  92          2HG2      VAL  92   6.785  -3.819  -2.244
  740    H    LEU  93           H        LEU  93   8.229  -0.372  -3.078
  741    HA   LEU  93           HA       LEU  93   7.021   1.892  -1.781
  742   1HB   LEU  93           HB1      LEU  93   9.356   0.428  -1.514
  743   2HB   LEU  93           HB2      LEU  93   9.998   1.696  -2.578
  744    HG   LEU  93           HG       LEU  93   9.497   3.375  -0.935
  745   1HD1  LEU  93          3HD1      LEU  93   7.464   2.583  -0.020
  746   2HD1  LEU  93          1HD1      LEU  93   8.438   1.410   0.954
  747   3HD1  LEU  93          2HD1      LEU  93   8.564   3.127   1.218
  748   1HD2  LEU  93          2HD2      LEU  93  11.541   1.646  -0.843
  749   2HD2  LEU  93          3HD2      LEU  93  11.363   2.860   0.437
  750   3HD2  LEU  93          1HD2      LEU  93  10.790   1.204   0.685
  751    H    LYS  94           H        LYS  94   9.059   1.504  -4.840
  752    HA   LYS  94           HA       LYS  94   8.751   4.337  -5.407
  753   1HB   LYS  94           HB1      LYS  94  10.298   2.162  -6.804
  754   2HB   LYS  94           HB2      LYS  94  10.028   3.740  -7.568
  755   1HG   LYS  94           HG1      LYS  94  10.827   4.455  -4.991
  756   2HG   LYS  94           HG2      LYS  94  11.812   3.005  -5.305
  757   1HD   LYS  94           HD1      LYS  94  11.836   5.649  -6.753
  758   2HD   LYS  94           HD2      LYS  94  13.171   4.739  -6.001
  759   1HE   LYS  94           HE1      LYS  94  12.251   2.869  -7.880
  760   2HE   LYS  94           HE2      LYS  94  11.921   4.423  -8.727
  761   1HZ   LYS  94           HZ1      LYS  94  14.229   5.032  -8.190
  762   2HZ   LYS  94           HZ2      LYS  94  14.490   3.469  -7.594
  763   3HZ   LYS  94           HZ3      LYS  94  14.106   3.679  -9.233
  764    H    ALA  95           H        ALA  95   6.790   1.674  -5.884
  765    HA   ALA  95           HA       ALA  95   5.563   2.506  -8.383
  766   1HB   ALA  95           HB2      ALA  95   5.068   0.139  -6.526
  767   2HB   ALA  95           HB3      ALA  95   3.895   0.617  -7.762
  768   3HB   ALA  95           HB1      ALA  95   5.544   0.190  -8.221
  769    H    ALA  96           H        ALA  96   4.733   2.328  -4.868
  770    HA   ALA  96           HA       ALA  96   2.235   3.563  -4.954
  771   1HB   ALA  96           HB3      ALA  96   4.369   3.192  -2.825
  772   2HB   ALA  96           HB1      ALA  96   2.919   4.124  -2.451
  773   3HB   ALA  96           HB2      ALA  96   2.765   2.435  -2.930
  774    H    VAL  97           H        VAL  97   5.530   4.907  -4.278
  775    HA   VAL  97           HA       VAL  97   5.013   7.584  -3.992
  776    HB   VAL  97           HB       VAL  97   7.348   5.987  -4.779
  777   1HG1  VAL  97          3HG1      VAL  97   7.271   8.802  -5.781
  778   2HG1  VAL  97          1HG1      VAL  97   8.694   8.059  -5.051
  779   3HG1  VAL  97          2HG1      VAL  97   7.881   7.347  -6.482
  780   1HG2  VAL  97          3HG2      VAL  97   6.631   6.857  -2.407
  781   2HG2  VAL  97          1HG2      VAL  97   8.322   6.909  -2.912
  782   3HG2  VAL  97          2HG2      VAL  97   7.324   8.372  -2.923
  783    H    ALA  98           H        ALA  98   5.673   5.725  -7.054
  784    HA   ALA  98           HA       ALA  98   5.430   7.618  -9.003
  785   1HB   ALA  98           HB2      ALA  98   5.493   4.837  -8.868
  786   2HB   ALA  98           HB3      ALA  98   3.942   5.175  -9.646
  787   3HB   ALA  98           HB1      ALA  98   5.418   5.787 -10.356
  788    H    ALA  99           H        ALA  99   2.864   6.037  -7.132
  789    HA   ALA  99           HA       ALA  99   0.627   6.609  -8.708
  790   1HB   ALA  99           HB1      ALA  99   1.189   5.304  -6.214
  791   2HB   ALA  99           HB2      ALA  99  -0.109   6.455  -5.955
  792   3HB   ALA  99           HB3      ALA  99  -0.286   5.216  -7.200
  793    H    ILE 100           H        ILE 100   2.105   8.239  -5.887
  794    HA   ILE 100           HA       ILE 100   0.098  10.301  -5.588
  795    HB   ILE 100           HB       ILE 100   0.520   9.910  -3.573
  796   1HG1  ILE 100          1HG1      ILE 100   3.248  11.222  -4.009
  797   2HG1  ILE 100          2HG1      ILE 100   1.775  12.183  -4.008
  798   1HG2  ILE 100          2HG2      ILE 100   3.041   8.591  -4.276
  799   2HG2  ILE 100          3HG2      ILE 100   2.585   8.833  -2.621
  800   3HG2  ILE 100          1HG2      ILE 100   1.485   7.949  -3.675
  801   1HD1  ILE 100           HD1      ILE 100   1.462  11.194  -1.611
  802   2HD1  ILE 100           HD2      ILE 100   3.224  10.939  -1.626
  803   3HD1  ILE 100           HD3      ILE 100   2.605  12.546  -1.851
  804    H    LYS 101           H        LYS 101   2.798   9.781  -7.649
  805    HA   LYS 101           HA       LYS 101   3.506  12.537  -7.975
  806   1HB   LYS 101           HB1      LYS 101   4.874  10.485  -8.671
  807   2HB   LYS 101           HB2      LYS 101   3.776  10.370 -10.070
  808   1HG   LYS 101           HG1      LYS 101   5.175  12.989  -9.446
  809   2HG   LYS 101           HG2      LYS 101   6.000  11.691 -10.365
  810   1HD   LYS 101           HD1      LYS 101   3.306  12.850 -11.211
  811   2HD   LYS 101           HD2      LYS 101   4.876  13.568 -11.710
  812   1HE   LYS 101           HE1      LYS 101   5.543  11.617 -12.928
  813   2HE   LYS 101           HE2      LYS 101   4.329  10.585 -12.082
  814   1HZ   LYS 101           HZ1      LYS 101   2.630  11.974 -13.194
  815   2HZ   LYS 101           HZ2      LYS 101   3.879  12.742 -14.083
  816   3HZ   LYS 101           HZ3      LYS 101   3.581  11.076 -14.274
  817    H    LYS 102           H        LYS 102   1.470  10.216  -9.938
  818    HA   LYS 102           HA       LYS 102   0.357  11.976 -11.695
  819   1HB   LYS 102           HB1      LYS 102  -1.162  10.292 -12.219
  820   2HB   LYS 102           HB2      LYS 102   0.092   9.369 -11.355
  821   1HG   LYS 102           HG1      LYS 102  -1.644   8.607 -10.073
  822   2HG   LYS 102           HG2      LYS 102  -1.531  10.179  -9.252
  823   1HD   LYS 102           HD1      LYS 102  -3.159  10.688 -11.471
  824   2HD   LYS 102           HD2      LYS 102  -3.663   9.070 -10.909
  825   1HE   LYS 102           HE1      LYS 102  -3.550  10.151  -8.480
  826   2HE   LYS 102           HE2      LYS 102  -3.631  11.718  -9.362
  827   1HZ   LYS 102           HZ1      LYS 102  -5.605  10.884 -10.490
  828   2HZ   LYS 102           HZ2      LYS 102  -5.605   9.552  -9.434
  829   3HZ   LYS 102           HZ3      LYS 102  -5.787  11.110  -8.769
  830    H    ALA 103           H        ALA 103  -0.418  11.456  -8.312
  831    HA   ALA 103           HA       ALA 103  -2.725  12.728  -7.789
  832   1HB   ALA 103           HB1      ALA 103  -0.224  12.300  -6.268
  833   2HB   ALA 103           HB2      ALA 103  -1.135  13.693  -5.713
  834   3HB   ALA 103           HB3      ALA 103  -1.918  12.120  -5.779
  835    H    ALA 104           H        ALA 104   0.371  14.596  -7.365
  836    HA   ALA 104           HA       ALA 104  -1.230  17.071  -7.423
  837   1HB   ALA 104           HB1      ALA 104   1.397  16.284  -6.159
  838   2HB   ALA 104           HB2      ALA 104   0.996  17.989  -6.395
  839   3HB   ALA 104           HB3      ALA 104  -0.044  16.937  -5.391
  840    H    ALA 105           H        ALA 105  -1.041  18.538  -9.050
  841    HA   ALA 105           HA       ALA 105  -0.208  19.953 -10.524
  842   1HB   ALA 105           HB3      ALA 105   1.494  20.073  -8.472
  843   2HB   ALA 105           HB1      ALA 105   2.635  19.425  -9.684
  844   3HB   ALA 105           HB2      ALA 105   1.825  20.967  -9.948
  845    H    ASN 106           H        ASN 106   2.587  17.633 -10.366
  846    HA   ASN 106           HA       ASN 106   3.544  18.149 -12.897
  847   1HB   ASN 106           HB1      ASN 106   4.069  16.252 -10.729
  848   2HB   ASN 106           HB2      ASN 106   4.436  15.580 -12.338
  849   1HD2  ASN 106          1HD2      ASN 106   6.986  18.118 -12.944
  850   2HD2  ASN 106          2HD2      ASN 106   5.552  17.491 -13.795
   
  No H/Q in entry =         850
  Start of MODEL    5
    1    H    MET   1           H        MET   1   6.325  17.020  10.424
    2    HA   MET   1           HA       MET   1   8.215  16.022   8.544
    3   1HB   MET   1           HB1      MET   1   8.972  18.396   9.708
    4   2HB   MET   1           HB2      MET   1   9.671  17.183  10.839
    5   1HG   MET   1           HG1      MET   1  10.161  16.449   8.056
    6   2HG   MET   1           HG2      MET   1  10.755  18.088   8.384
    7   1HE   MET   1           HE3      MET   1  12.617  18.705   9.230
    8   2HE   MET   1           HE1      MET   1  12.591  18.294  10.957
    9   3HE   MET   1           HE2      MET   1  13.961  17.819   9.900
   10    H    GLU   2           H        GLU   2   6.422  14.484   9.788
   11    HA   GLU   2           HA       GLU   2   7.287  13.742  12.496
   12   1HB   GLU   2           HB1      GLU   2   4.609  14.012  11.176
   13   2HB   GLU   2           HB2      GLU   2   4.802  12.869  12.520
   14   1HG   GLU   2           HG1      GLU   2   5.012  14.545  14.062
   15   2HG   GLU   2           HG2      GLU   2   5.964  15.587  12.969
   16    H    LYS   3           H        LYS   3   7.311  12.711   9.235
   17    HA   LYS   3           HA       LYS   3   7.296  10.651   8.177
   18   1HB   LYS   3           HB1      LYS   3   7.076   9.599  10.953
   19   2HB   LYS   3           HB2      LYS   3   6.622   8.566   9.588
   20   1HG   LYS   3           HG1      LYS   3   8.703   8.633   8.613
   21   2HG   LYS   3           HG2      LYS   3   9.202  10.096   9.466
   22   1HD   LYS   3           HD1      LYS   3   9.099   8.563  11.599
   23   2HD   LYS   3           HD2      LYS   3   9.108   7.222  10.429
   24   1HE   LYS   3           HE1      LYS   3  11.390   7.507  10.168
   25   2HE   LYS   3           HE2      LYS   3  11.099   9.172   9.617
   26   1HZ   LYS   3           HZ1      LYS   3  10.954   9.815  11.967
   27   2HZ   LYS   3           HZ2      LYS   3  11.438   8.244  12.430
   28   3HZ   LYS   3           HZ3      LYS   3  12.481   9.239  11.508
   29    H    LYS   4           H        LYS   4   5.786   8.860   7.567
   30    HA   LYS   4           HA       LYS   4   2.945   9.621   7.582
   31   1HB   LYS   4           HB1      LYS   4   4.819  10.687   5.650
   32   2HB   LYS   4           HB2      LYS   4   3.486   9.750   4.882
   33   1HG   LYS   4           HG1      LYS   4   1.836  11.136   6.228
   34   2HG   LYS   4           HG2      LYS   4   3.218  12.087   6.842
   35   1HD   LYS   4           HD1      LYS   4   3.395  12.008   3.998
   36   2HD   LYS   4           HD2      LYS   4   1.721  12.397   4.410
   37   1HE   LYS   4           HE1      LYS   4   2.425  14.321   5.809
   38   2HE   LYS   4           HE2      LYS   4   4.154  13.804   5.688
   39   1HZ   LYS   4           HZ1      LYS   4   3.958  14.178   3.273
   40   2HZ   LYS   4           HZ2      LYS   4   2.397  14.797   3.533
   41   3HZ   LYS   4           HZ3      LYS   4   3.715  15.590   4.194
   42    H    HIS   5           H        HIS   5   1.657   8.162   6.140
   43    HA   HIS   5           HA       HIS   5   2.708   5.455   6.706
   44   1HB   HIS   5           HB1      HIS   5  -0.157   6.356   6.877
   45   2HB   HIS   5           HB2      HIS   5   0.570   4.810   7.409
   46    HD1  HIS   5           HD1      HIS   5  -0.858   6.867   9.497
   47    HD2  HIS   5           HD2      HIS   5   3.254   6.675   8.638
   48    HE1  HIS   5           HE1      HIS   5   0.495   7.981  11.479
   49    H    ILE   6           H        ILE   6   3.354   4.599   4.830
   50    HA   ILE   6           HA       ILE   6   1.566   4.473   2.504
   51    HB   ILE   6           HB       ILE   6   4.458   3.975   2.796
   52   1HG1  ILE   6          1HG1      ILE   6   2.705   4.777   0.401
   53   2HG1  ILE   6          2HG1      ILE   6   3.312   5.932   1.597
   54   1HG2  ILE   6          3HG2      ILE   6   2.783   1.891   1.567
   55   2HG2  ILE   6          1HG2      ILE   6   4.180   2.553   0.690
   56   3HG2  ILE   6          2HG2      ILE   6   4.352   1.850   2.312
   57   1HD1  ILE   6           HD3      ILE   6   5.673   5.018   0.982
   58   2HD1  ILE   6           HD1      ILE   6   4.796   4.359  -0.445
   59   3HD1  ILE   6           HD2      ILE   6   4.953   6.086  -0.158
   60    H    TYR   7           H        TYR   7  -0.168   3.339   3.235
   61    HA   TYR   7           HA       TYR   7   0.100   0.758   4.727
   62   1HB   TYR   7           HB1      TYR   7  -2.183   2.715   4.434
   63   2HB   TYR   7           HB2      TYR   7  -2.331   1.067   5.109
   64    HD1  TYR   7           HD1      TYR   7   0.486   1.281   6.582
   65    HD2  TYR   7           HD2      TYR   7  -3.143   3.609   6.389
   66    HE1  TYR   7           HE1      TYR   7   1.021   2.306   8.814
   67    HE2  TYR   7           HE2      TYR   7  -2.467   4.831   8.481
   68    HH   TYR   7           HH       TYR   7  -1.290   4.684  10.305
   69    H    LEU   8           H        LEU   8  -1.331  -0.975   4.019
   70    HA   LEU   8           HA       LEU   8  -1.525  -1.347   1.172
   71   1HB   LEU   8           HB1      LEU   8   0.951  -1.616   1.800
   72   2HB   LEU   8           HB2      LEU   8   0.407  -2.168   3.366
   73    HG   LEU   8           HG       LEU   8  -0.247  -4.064   1.295
   74   1HD1  LEU   8          1HD1      LEU   8   1.794  -3.177   0.189
   75   2HD1  LEU   8          2HD1      LEU   8   2.728  -4.124   1.360
   76   3HD1  LEU   8          3HD1      LEU   8   1.508  -4.961   0.424
   77   1HD2  LEU   8          3HD2      LEU   8   0.915  -3.796   4.063
   78   2HD2  LEU   8          1HD2      LEU   8  -0.272  -4.906   3.407
   79   3HD2  LEU   8          2HD2      LEU   8   1.445  -5.209   3.123
   80    H    PHE   9           H        PHE   9  -3.528  -2.715   1.200
   81    HA   PHE   9           HA       PHE   9  -4.346  -3.522   3.940
   82   1HB   PHE   9           HB1      PHE   9  -5.786  -2.148   1.724
   83   2HB   PHE   9           HB2      PHE   9  -6.545  -2.739   3.231
   84    HD1  PHE   9           HD2      PHE   9  -4.461  -2.060   5.159
   85    HD2  PHE   9           HD1      PHE   9  -5.690   0.201   1.712
   86    HE1  PHE   9           HE2      PHE   9  -4.805   0.005   6.594
   87    HE2  PHE   9           HE1      PHE   9  -5.441   2.346   3.015
   88    HZ   PHE   9           HZ       PHE   9  -4.617   2.182   5.411
   89    H    SER  10           H        SER  10  -4.868  -5.862   4.101
   90    HA   SER  10           HA       SER  10  -3.368  -7.320   2.287
   91   1HB   SER  10           HB1      SER  10  -3.820  -7.674   4.670
   92   2HB   SER  10           HB2      SER  10  -5.468  -8.218   4.311
   93    HG   SER  10           HG       SER  10  -3.874  -9.988   4.604
   94    H    SER  11           H        SER  11  -3.728  -9.103   0.993
   95    HA   SER  11           HA       SER  11  -5.932  -8.880  -0.875
   96   1HB   SER  11           HB1      SER  11  -4.105  -8.994  -2.196
   97   2HB   SER  11           HB2      SER  11  -3.125  -9.722  -0.891
   98    HG   SER  11           HG       SER  11  -3.531 -11.062  -2.824
   99    H    ALA  12           H        ALA  12  -4.551 -10.918   1.599
  100    HA   ALA  12           HA       ALA  12  -6.420 -12.417   2.439
  101   1HB   ALA  12           HB2      ALA  12  -6.861 -13.025  -0.037
  102   2HB   ALA  12           HB3      ALA  12  -5.450 -14.098   0.074
  103   3HB   ALA  12           HB1      ALA  12  -6.886 -14.402   1.102
  104    H    GLY  13           H        GLY  13  -3.113 -12.258   1.520
  105   1HA   GLY  13           HA1      GLY  13  -1.923 -13.927   3.460
  106   2HA   GLY  13           HA2      GLY  13  -2.245 -14.959   2.036
  107    H    MET  14           H        MET  14   0.277 -13.810   3.484
  108    HA   MET  14           HA       MET  14   2.316 -13.081   3.033
  109   1HB   MET  14           HB1      MET  14   1.652 -14.992   0.728
  110   2HB   MET  14           HB2      MET  14   3.309 -14.424   1.087
  111   1HG   MET  14           HG1      MET  14   1.511 -15.794   3.069
  112   2HG   MET  14           HG2      MET  14   2.802 -16.587   2.133
  113   1HE   MET  14           HE2      MET  14   1.621 -15.134   5.096
  114   2HE   MET  14           HE3      MET  14   2.995 -14.793   6.184
  115   3HE   MET  14           HE1      MET  14   2.456 -13.567   5.003
  116    H    SER  15           H        SER  15   3.643 -12.713   0.408
  117    HA   SER  15           HA       SER  15   4.596 -10.688   0.011
  118   1HB   SER  15           HB1      SER  15   3.067  -9.907  -2.131
  119   2HB   SER  15           HB2      SER  15   4.100 -11.370  -2.119
  120    HG   SER  15           HG       SER  15   1.892 -11.667  -2.914
  121    H    THR  16           H        THR  16   2.689 -10.161   2.203
  122    HA   THR  16           HA       THR  16   1.967  -7.327   1.720
  123    HB   THR  16           HB       THR  16   0.716  -7.818   4.036
  124    HG1  THR  16           HG1      THR  16  -0.591  -9.804   3.565
  125   1HG2  THR  16          1HG2      THR  16   0.080  -7.030   1.482
  126   2HG2  THR  16          2HG2      THR  16  -1.263  -8.037   2.091
  127   3HG2  THR  16          3HG2      THR  16  -0.709  -6.686   3.035
  128    H    SER  17           H        SER  17   2.485  -9.284   4.744
  129    HA   SER  17           HA       SER  17   3.096  -7.064   6.232
  130   1HB   SER  17           HB1      SER  17   3.662  -8.542   7.998
  131   2HB   SER  17           HB2      SER  17   2.494  -9.488   7.014
  132    HG   SER  17           HG       SER  17   4.440 -10.667   7.701
  133    H    LEU  18           H        LEU  18   5.165  -9.278   4.405
  134    HA   LEU  18           HA       LEU  18   7.658  -8.018   5.411
  135   1HB   LEU  18           HB1      LEU  18   8.656 -10.224   4.973
  136   2HB   LEU  18           HB2      LEU  18   7.008 -10.624   5.500
  137    HG   LEU  18           HG       LEU  18   8.091 -10.694   2.720
  138   1HD1  LEU  18          2HD1      LEU  18   7.688 -12.907   4.702
  139   2HD1  LEU  18          3HD1      LEU  18   7.701 -13.113   2.953
  140   3HD1  LEU  18          1HD1      LEU  18   9.074 -12.352   3.748
  141   1HD2  LEU  18          1HD2      LEU  18   5.305 -11.187   3.811
  142   2HD2  LEU  18          2HD2      LEU  18   5.802  -9.855   2.741
  143   3HD2  LEU  18          3HD2      LEU  18   5.791 -11.464   2.122
  144    H    LEU  19           H        LEU  19   5.522  -7.754   2.737
  145    HA   LEU  19           HA       LEU  19   7.672  -6.734   1.024
  146   1HB   LEU  19           HB1      LEU  19   6.059  -7.646  -0.447
  147   2HB   LEU  19           HB2      LEU  19   4.821  -7.730   0.825
  148    HG   LEU  19           HG       LEU  19   3.701  -6.100   0.021
  149   1HD1  LEU  19          2HD1      LEU  19   5.988  -4.248  -0.374
  150   2HD1  LEU  19          3HD1      LEU  19   4.768  -4.248  -1.593
  151   3HD1  LEU  19          1HD1      LEU  19   4.311  -4.060   0.110
  152   1HD2  LEU  19          1HD2      LEU  19   4.779  -7.772  -1.821
  153   2HD2  LEU  19          2HD2      LEU  19   3.477  -6.612  -2.198
  154   3HD2  LEU  19          3HD2      LEU  19   5.154  -6.236  -2.604
  155    H    VAL  20           H        VAL  20   4.963  -5.692   3.230
  156    HA   VAL  20           HA       VAL  20   5.364  -2.899   3.250
  157    HB   VAL  20           HB       VAL  20   4.927  -4.853   5.527
  158   1HG1  VAL  20          2HG1      VAL  20   5.757  -2.397   6.045
  159   2HG1  VAL  20          3HG1      VAL  20   4.021  -2.140   6.121
  160   3HG1  VAL  20          1HG1      VAL  20   4.717  -3.461   7.046
  161   1HG2  VAL  20          3HG2      VAL  20   3.096  -4.096   3.411
  162   2HG2  VAL  20          1HG2      VAL  20   2.774  -4.966   4.917
  163   3HG2  VAL  20          2HG2      VAL  20   2.575  -3.223   4.871
  164    H    SER  21           H        SER  21   7.241  -5.586   4.838
  165    HA   SER  21           HA       SER  21   8.900  -3.687   6.236
  166   1HB   SER  21           HB1      SER  21   8.748  -6.748   6.341
  167   2HB   SER  21           HB2      SER  21   9.817  -5.759   7.356
  168    HG   SER  21           HG       SER  21   7.781  -6.317   8.385
  169    H    LYS  22           H        LYS  22   8.999  -5.311   3.185
  170    HA   LYS  22           HA       LYS  22  11.853  -5.147   2.930
  171   1HB   LYS  22           HB1      LYS  22  10.435  -6.824   1.670
  172   2HB   LYS  22           HB2      LYS  22   9.879  -5.455   0.681
  173   1HG   LYS  22           HG1      LYS  22  12.322  -4.906   0.209
  174   2HG   LYS  22           HG2      LYS  22  12.776  -6.443   0.970
  175   1HD   LYS  22           HD1      LYS  22  10.745  -6.666  -1.175
  176   2HD   LYS  22           HD2      LYS  22  12.359  -6.137  -1.699
  177   1HE   LYS  22           HE1      LYS  22  11.927  -8.594   0.147
  178   2HE   LYS  22           HE2      LYS  22  12.003  -8.700  -1.665
  179   1HZ   LYS  22           HZ1      LYS  22  14.175  -7.536  -1.485
  180   2HZ   LYS  22           HZ2      LYS  22  14.096  -7.754   0.193
  181   3HZ   LYS  22           HZ3      LYS  22  14.158  -9.117  -0.826
  182    H    MET  23           H        MET  23   8.922  -3.354   1.807
  183    HA   MET  23           HA       MET  23   9.985  -1.107   0.622
  184   1HB   MET  23           HB1      MET  23   7.535  -1.462   2.416
  185   2HB   MET  23           HB2      MET  23   7.905   0.052   1.555
  186   1HG   MET  23           HG1      MET  23   7.902  -1.539  -0.560
  187   2HG   MET  23           HG2      MET  23   7.214  -2.747   0.529
  188   1HE   MET  23           HE1      MET  23   6.986   0.959  -0.431
  189   2HE   MET  23           HE2      MET  23   5.297   1.388  -0.287
  190   3HE   MET  23           HE3      MET  23   6.272   1.107   1.186
  191    H    ARG  24           H        ARG  24   9.107  -1.328   4.170
  192    HA   ARG  24           HA       ARG  24  10.443   0.759   5.285
  193   1HB   ARG  24           HB1      ARG  24   9.791  -2.017   6.167
  194   2HB   ARG  24           HB2      ARG  24  11.004  -1.150   7.135
  195   1HG   ARG  24           HG1      ARG  24   9.269  -0.206   8.200
  196   2HG   ARG  24           HG2      ARG  24   9.015   0.781   6.750
  197   1HD   ARG  24           HD1      ARG  24   7.065  -0.356   6.240
  198   2HD   ARG  24           HD2      ARG  24   7.810  -1.936   6.467
  199    HE   ARG  24           HE       ARG  24   6.382  -0.308   8.447
  200   1HH1  ARG  24          2HH1      ARG  24   8.341  -3.060   7.921
  201   2HH1  ARG  24          1HH1      ARG  24   7.588  -3.945   9.442
  202   1HH2  ARG  24          2HH2      ARG  24   5.782  -1.289  10.238
  203   2HH2  ARG  24          1HH2      ARG  24   6.320  -3.091  10.557
  204    H    ALA  25           H        ALA  25  11.946  -2.354   4.147
  205    HA   ALA  25           HA       ALA  25  14.607  -1.792   4.733
  206   1HB   ALA  25           HB2      ALA  25  13.111  -3.600   2.895
  207   2HB   ALA  25           HB3      ALA  25  14.778  -3.249   2.403
  208   3HB   ALA  25           HB1      ALA  25  14.437  -3.946   4.002
  209    H    GLN  26           H        GLN  26  13.006  -1.455   1.487
  210    HA   GLN  26           HA       GLN  26  14.380   0.301   0.031
  211   1HB   GLN  26           HB1      GLN  26  11.411   0.448   0.835
  212   2HB   GLN  26           HB2      GLN  26  12.119   1.449  -0.436
  213   1HG   GLN  26           HG1      GLN  26  10.850  -0.817  -1.017
  214   2HG   GLN  26           HG2      GLN  26  12.193  -0.192  -1.987
  215   1HE2  GLN  26          1HE2      GLN  26  14.505  -2.701  -0.547
  216   2HE2  GLN  26          2HE2      GLN  26  14.498  -1.084  -1.273
  217    H    ALA  27           H        ALA  27  12.287   1.438   2.812
  218    HA   ALA  27           HA       ALA  27  12.844   4.208   2.144
  219   1HB   ALA  27           HB1      ALA  27  10.559   3.425   2.581
  220   2HB   ALA  27           HB2      ALA  27  10.986   3.102   4.250
  221   3HB   ALA  27           HB3      ALA  27  11.042   4.757   3.676
  222    H    GLU  28           H        GLU  28  13.741   1.814   4.586
  223    HA   GLU  28           HA       GLU  28  15.209   3.729   6.256
  224   1HB   GLU  28           HB1      GLU  28  14.919   0.698   6.180
  225   2HB   GLU  28           HB2      GLU  28  16.019   1.518   7.312
  226   1HG   GLU  28           HG1      GLU  28  12.957   1.656   7.197
  227   2HG   GLU  28           HG2      GLU  28  14.000   1.223   8.555
  228    H    LYS  29           H        LYS  29  15.605   1.647   3.422
  229    HA   LYS  29           HA       LYS  29  18.436   1.805   3.097
  230   1HB   LYS  29           HB1      LYS  29  17.558   0.175   1.899
  231   2HB   LYS  29           HB2      LYS  29  16.106   1.086   1.451
  232   1HG   LYS  29           HG1      LYS  29  17.109   1.994  -0.402
  233   2HG   LYS  29           HG2      LYS  29  18.665   2.317   0.453
  234   1HD   LYS  29           HD1      LYS  29  18.851   0.735  -1.521
  235   2HD   LYS  29           HD2      LYS  29  19.434   0.100   0.018
  236   1HE   LYS  29           HE1      LYS  29  17.406  -1.197   0.362
  237   2HE   LYS  29           HE2      LYS  29  16.580  -0.432  -1.036
  238   1HZ   LYS  29           HZ1      LYS  29  18.279  -1.360  -2.453
  239   2HZ   LYS  29           HZ2      LYS  29  18.905  -2.231  -1.134
  240   3HZ   LYS  29           HZ3      LYS  29  17.326  -2.551  -1.678
  241    H    TYR  30           H        TYR  30  15.665   3.803   1.914
  242    HA   TYR  30           HA       TYR  30  17.476   5.569   0.451
  243   1HB   TYR  30           HB1      TYR  30  14.517   4.987   0.206
  244   2HB   TYR  30           HB2      TYR  30  15.341   6.259  -0.753
  245    HD1  TYR  30           HD1      TYR  30  17.170   5.538  -2.429
  246    HD2  TYR  30           HD2      TYR  30  14.218   2.964  -0.617
  247    HE1  TYR  30           HE1      TYR  30  17.997   3.613  -3.848
  248    HE2  TYR  30           HE2      TYR  30  15.060   1.035  -1.964
  249    HH   TYR  30           HH       TYR  30  16.260   0.437  -3.713
  250    H    GLU  31           H        GLU  31  15.582   5.314   3.274
  251    HA   GLU  31           HA       GLU  31  15.322   6.650   5.013
  252   1HB   GLU  31           HB1      GLU  31  17.353   7.864   4.350
  253   2HB   GLU  31           HB2      GLU  31  16.375   8.881   3.254
  254   1HG   GLU  31           HG1      GLU  31  15.290   9.991   5.003
  255   2HG   GLU  31           HG2      GLU  31  15.746   8.735   6.199
  256    H    VAL  32           H        VAL  32  13.618   6.676   2.225
  257    HA   VAL  32           HA       VAL  32  11.815   8.734   2.046
  258    HB   VAL  32           HB       VAL  32  11.321   5.793   1.783
  259   1HG1  VAL  32          1HG1      VAL  32   9.558   8.007   1.307
  260   2HG1  VAL  32          2HG1      VAL  32   9.557   6.696   0.062
  261   3HG1  VAL  32          3HG1      VAL  32   9.172   6.301   1.699
  262   1HG2  VAL  32          1HG2      VAL  32  13.164   7.065   0.397
  263   2HG2  VAL  32          2HG2      VAL  32  12.147   5.929  -0.466
  264   3HG2  VAL  32          3HG2      VAL  32  11.765   7.631  -0.571
  265    HA   PRO  33           HA       PRO  33  10.620   8.413   6.349
  266   1HB   PRO  33           HB1      PRO  33   9.640  10.888   6.776
  267   2HB   PRO  33           HB2      PRO  33  11.390  10.616   6.489
  268   1HG   PRO  33           HG1      PRO  33   9.253  11.485   4.464
  269   2HG   PRO  33           HG2      PRO  33  10.883  12.122   4.692
  270   1HD   PRO  33           HD2      PRO  33  10.384  10.207   2.719
  271   2HD   PRO  33           HD1      PRO  33  11.946  10.239   3.605
  272    H    VAL  34           H        VAL  34   8.925   6.937   4.976
  273    HA   VAL  34           HA       VAL  34   6.205   7.690   5.831
  274    HB   VAL  34           HB       VAL  34   6.910   7.006   2.998
  275   1HG1  VAL  34          3HG1      VAL  34   4.437   6.315   4.219
  276   2HG1  VAL  34          1HG1      VAL  34   4.317   7.652   3.026
  277   3HG1  VAL  34          2HG1      VAL  34   5.056   6.090   2.602
  278   1HG2  VAL  34          3HG2      VAL  34   6.687   9.507   4.421
  279   2HG2  VAL  34          1HG2      VAL  34   6.877   9.211   2.688
  280   3HG2  VAL  34          2HG2      VAL  34   5.266   9.368   3.434
  281    H    ILE  35           H        ILE  35   6.549   6.128   7.502
  282    HA   ILE  35           HA       ILE  35   6.901   3.518   7.630
  283    HB   ILE  35           HB       ILE  35   5.208   5.528   8.867
  284   1HG1  ILE  35          1HG1      ILE  35   6.374   5.109  10.749
  285   2HG1  ILE  35          2HG1      ILE  35   6.671   3.372  10.381
  286   1HG2  ILE  35          1HG2      ILE  35   4.037   2.897   8.756
  287   2HG2  ILE  35          2HG2      ILE  35   4.080   3.722  10.354
  288   3HG2  ILE  35          3HG2      ILE  35   3.328   4.508   9.032
  289   1HD1  ILE  35           HD2      ILE  35   8.443   4.289   8.661
  290   2HD1  ILE  35           HD3      ILE  35   7.997   5.832   9.265
  291   3HD1  ILE  35           HD1      ILE  35   8.654   4.604  10.401
  292    H    ILE  36           H        ILE  36   6.264   1.816   6.357
  293    HA   ILE  36           HA       ILE  36   3.817   1.651   4.808
  294    HB   ILE  36           HB       ILE  36   5.552  -0.674   5.183
  295   1HG1  ILE  36          1HG1      ILE  36   7.418   0.657   4.676
  296   2HG1  ILE  36          2HG1      ILE  36   6.806   0.271   3.055
  297   1HG2  ILE  36          3HG2      ILE  36   3.710   0.167   3.039
  298   2HG2  ILE  36          1HG2      ILE  36   5.066  -0.887   2.762
  299   3HG2  ILE  36          2HG2      ILE  36   3.831  -1.304   3.983
  300   1HD1  ILE  36           HD2      ILE  36   5.969   2.936   4.357
  301   2HD1  ILE  36           HD3      ILE  36   7.563   2.703   3.732
  302   3HD1  ILE  36           HD1      ILE  36   6.129   2.400   2.688
  303    H    GLU  37           H        GLU  37   2.132   0.083   5.319
  304    HA   GLU  37           HA       GLU  37   2.477  -1.907   7.264
  305   1HB   GLU  37           HB1      GLU  37   0.898   0.416   8.383
  306   2HB   GLU  37           HB2      GLU  37   0.448  -1.251   8.767
  307   1HG   GLU  37           HG1      GLU  37   3.343  -0.442   9.059
  308   2HG   GLU  37           HG2      GLU  37   2.140   0.005  10.301
  309    H    ALA  38           H        ALA  38   1.126  -3.559   6.941
  310    HA   ALA  38           HA       ALA  38  -0.965  -3.353   4.956
  311   1HB   ALA  38           HB3      ALA  38   0.722  -5.308   5.436
  312   2HB   ALA  38           HB1      ALA  38  -0.429  -5.774   6.710
  313   3HB   ALA  38           HB2      ALA  38  -0.919  -5.782   5.027
  314    H    PHE  39           H        PHE  39  -3.258  -4.040   5.435
  315    HA   PHE  39           HA       PHE  39  -4.218  -4.616   8.062
  316   1HB   PHE  39           HB1      PHE  39  -5.155  -1.928   6.984
  317   2HB   PHE  39           HB2      PHE  39  -5.676  -2.762   8.450
  318    HD1  PHE  39           HD1      PHE  39  -4.282  -2.869  10.422
  319    HD2  PHE  39           HD2      PHE  39  -2.877  -0.847   6.909
  320    HE1  PHE  39           HE1      PHE  39  -2.296  -2.017  11.675
  321    HE2  PHE  39           HE2      PHE  39  -1.331   0.494   8.309
  322    HZ   PHE  39           HZ       PHE  39  -1.139   0.015  10.718
  323    HA   PRO  40           HA       PRO  40  -6.894  -6.683   5.444
  324   1HB   PRO  40           HB1      PRO  40  -8.851  -7.646   7.164
  325   2HB   PRO  40           HB2      PRO  40  -7.213  -8.253   7.046
  326   1HG   PRO  40           HG1      PRO  40  -8.408  -6.456   9.196
  327   2HG   PRO  40           HG2      PRO  40  -6.956  -7.456   9.312
  328   1HD   PRO  40           HD2      PRO  40  -7.114  -4.574   8.803
  329   2HD   PRO  40           HD1      PRO  40  -5.627  -5.617   8.867
  330    H    GLU  41           H        GLU  41  -7.537  -5.074   4.065
  331    HA   GLU  41           HA       GLU  41  -8.470  -3.117   3.478
  332   1HB   GLU  41           HB1      GLU  41 -10.395  -3.477   2.192
  333   2HB   GLU  41           HB2      GLU  41  -9.612  -5.073   2.278
  334   1HG   GLU  41           HG1      GLU  41 -11.178  -5.788   4.046
  335   2HG   GLU  41           HG2      GLU  41 -11.940  -4.209   4.091
  336    H    THR  42           H        THR  42 -10.964  -4.591   5.663
  337    HA   THR  42           HA       THR  42 -12.528  -2.928   6.695
  338    HB   THR  42           HB       THR  42 -12.765  -4.188   8.424
  339    HG1  THR  42           HG1      THR  42 -11.204  -4.076  10.233
  340   1HG2  THR  42          3HG2      THR  42 -10.545  -5.578   7.252
  341   2HG2  THR  42          1HG2      THR  42 -10.690  -5.777   9.035
  342   3HG2  THR  42          2HG2      THR  42 -12.048  -6.163   7.957
  343    H    LEU  43           H        LEU  43  -9.023  -2.262   7.021
  344    HA   LEU  43           HA       LEU  43  -9.364  -0.142   8.994
  345   1HB   LEU  43           HB1      LEU  43  -7.549  -2.234   8.567
  346   2HB   LEU  43           HB2      LEU  43  -6.671  -0.831   7.873
  347    HG   LEU  43           HG       LEU  43  -5.864  -0.394   9.897
  348   1HD1  LEU  43          2HD1      LEU  43  -8.610   0.478  10.640
  349   2HD1  LEU  43          3HD1      LEU  43  -7.258   0.442  11.697
  350   3HD1  LEU  43          1HD1      LEU  43  -7.146   1.344  10.158
  351   1HD2  LEU  43          3HD2      LEU  43  -7.100  -2.936  10.468
  352   2HD2  LEU  43          1HD2      LEU  43  -5.843  -2.119  11.341
  353   3HD2  LEU  43          2HD2      LEU  43  -7.550  -1.747  11.753
  354    H    ALA  44           H        ALA  44  -8.670  -0.746   5.616
  355    HA   ALA  44           HA       ALA  44  -7.141   1.196   4.739
  356   1HB   ALA  44           HB1      ALA  44  -8.943  -0.578   3.527
  357   2HB   ALA  44           HB2      ALA  44  -9.423   0.966   2.880
  358   3HB   ALA  44           HB3      ALA  44  -7.770   0.445   2.692
  359    H    GLY  45           H        GLY  45 -10.473   1.651   5.920
  360   1HA   GLY  45           HA1      GLY  45 -10.761   4.368   4.874
  361   2HA   GLY  45           HA2      GLY  45 -11.798   3.526   6.032
  362    H    GLU  46           H        GLU  46  -9.570   2.900   7.905
  363    HA   GLU  46           HA       GLU  46  -9.597   5.511   9.297
  364   1HB   GLU  46           HB1      GLU  46 -10.465   3.174  10.358
  365   2HB   GLU  46           HB2      GLU  46  -8.767   2.926  10.708
  366   1HG   GLU  46           HG1      GLU  46  -9.474   5.687  11.385
  367   2HG   GLU  46           HG2      GLU  46 -10.634   4.564  12.104
  368    H    LYS  47           H        LYS  47  -7.424   2.698   8.555
  369    HA   LYS  47           HA       LYS  47  -4.999   3.934   9.217
  370   1HB   LYS  47           HB1      LYS  47  -5.819   1.476   7.800
  371   2HB   LYS  47           HB2      LYS  47  -4.200   2.094   7.404
  372   1HG   LYS  47           HG1      LYS  47  -5.245   1.510  10.190
  373   2HG   LYS  47           HG2      LYS  47  -4.134   0.513   9.275
  374   1HD   LYS  47           HD1      LYS  47  -2.317   1.916   9.587
  375   2HD   LYS  47           HD2      LYS  47  -3.289   3.387   9.827
  376   1HE   LYS  47           HE1      LYS  47  -4.114   2.334  12.065
  377   2HE   LYS  47           HE2      LYS  47  -2.860   1.078  11.830
  378   1HZ   LYS  47           HZ1      LYS  47  -1.299   2.975  11.610
  379   2HZ   LYS  47           HZ2      LYS  47  -2.505   4.020  12.057
  380   3HZ   LYS  47           HZ3      LYS  47  -2.002   2.797  13.148
  381    H    GLY  48           H        GLY  48  -6.259   3.115   5.893
  382   1HA   GLY  48           HA1      GLY  48  -4.790   4.675   4.295
  383   2HA   GLY  48           HA2      GLY  48  -6.533   4.363   3.992
  384    H    GLN  49           H        GLN  49  -7.766   5.899   6.007
  385    HA   GLN  49           HA       GLN  49  -7.857   8.484   5.290
  386   1HB   GLN  49           HB1      GLN  49  -9.345   7.320   6.884
  387   2HB   GLN  49           HB2      GLN  49  -8.001   7.240   8.067
  388   1HG   GLN  49           HG1      GLN  49  -8.061   9.605   8.453
  389   2HG   GLN  49           HG2      GLN  49  -9.265   9.828   7.163
  390   1HE2  GLN  49          1HE2      GLN  49 -11.823   8.135   9.148
  391   2HE2  GLN  49          2HE2      GLN  49 -11.278   8.222   7.467
  392    H    ASN  50           H        ASN  50  -5.726   7.047   7.844
  393    HA   ASN  50           HA       ASN  50  -4.285   9.488   8.433
  394   1HB   ASN  50           HB1      ASN  50  -4.121   6.643   9.464
  395   2HB   ASN  50           HB2      ASN  50  -2.970   7.911   9.948
  396   1HD2  ASN  50          1HD2      ASN  50  -5.139   8.834  12.517
  397   2HD2  ASN  50          2HD2      ASN  50  -3.476   8.577  11.986
  398    H    ALA  51           H        ALA  51  -4.217   7.397   5.884
  399    HA   ALA  51           HA       ALA  51  -1.399   6.847   5.594
  400   1HB   ALA  51           HB2      ALA  51  -3.699   6.267   3.763
  401   2HB   ALA  51           HB3      ALA  51  -2.069   5.730   3.507
  402   3HB   ALA  51           HB1      ALA  51  -2.983   5.148   4.914
  403    H    ASP  52           H        ASP  52  -0.015   7.760   4.113
  404    HA   ASP  52           HA       ASP  52  -0.589  10.211   2.742
  405   1HB   ASP  52           HB1      ASP  52   1.477   9.731   4.085
  406   2HB   ASP  52           HB2      ASP  52   2.007   8.645   2.829
  407    H    VAL  53           H        VAL  53   0.063   6.777   2.103
  408    HA   VAL  53           HA       VAL  53  -1.274   6.801  -0.447
  409    HB   VAL  53           HB       VAL  53   1.699   6.304  -0.375
  410   1HG1  VAL  53          2HG1      VAL  53   0.678   4.377  -1.362
  411   2HG1  VAL  53          3HG1      VAL  53   0.073   5.318  -2.694
  412   3HG1  VAL  53          1HG1      VAL  53   1.773   5.335  -2.380
  413   1HG2  VAL  53          3HG2      VAL  53   0.543   8.690  -1.044
  414   2HG2  VAL  53          1HG2      VAL  53   1.925   8.011  -1.897
  415   3HG2  VAL  53          2HG2      VAL  53   0.328   7.934  -2.611
  416    H    VAL  54           H        VAL  54  -1.671   4.537  -1.190
  417    HA   VAL  54           HA       VAL  54  -1.823   2.669   1.067
  418    HB   VAL  54           HB       VAL  54  -3.722   3.615   1.608
  419   1HG1  VAL  54          3HG1      VAL  54  -3.223   5.582   0.860
  420   2HG1  VAL  54          1HG1      VAL  54  -4.041   5.312  -0.656
  421   3HG1  VAL  54          2HG1      VAL  54  -4.890   5.193   0.932
  422   1HG2  VAL  54          2HG2      VAL  54  -4.482   1.715  -0.586
  423   2HG2  VAL  54          3HG2      VAL  54  -4.853   1.761   1.119
  424   3HG2  VAL  54          1HG2      VAL  54  -5.706   2.842   0.026
  425    H    LEU  55           H        LEU  55  -1.766   0.489   0.353
  426    HA   LEU  55           HA       LEU  55  -2.811  -0.155  -2.385
  427   1HB   LEU  55           HB1      LEU  55  -0.711  -1.621  -0.613
  428   2HB   LEU  55           HB2      LEU  55  -1.307  -2.181  -2.204
  429    HG   LEU  55           HG       LEU  55  -0.105   0.466  -2.256
  430   1HD1  LEU  55          3HD1      LEU  55   1.107  -0.931  -0.450
  431   2HD1  LEU  55          1HD1      LEU  55   2.087  -1.294  -1.900
  432   3HD1  LEU  55          2HD1      LEU  55   1.876   0.372  -1.337
  433   1HD2  LEU  55          3HD2      LEU  55  -0.671  -1.439  -4.169
  434   2HD2  LEU  55          1HD2      LEU  55   0.577  -0.249  -4.350
  435   3HD2  LEU  55          2HD2      LEU  55   1.007  -1.882  -3.815
  436    H    LEU  56           H        LEU  56  -4.271  -1.919  -2.495
  437    HA   LEU  56           HA       LEU  56  -5.052  -3.413  -0.043
  438   1HB   LEU  56           HB1      LEU  56  -6.657  -1.518  -1.197
  439   2HB   LEU  56           HB2      LEU  56  -6.882  -2.783  -2.416
  440    HG   LEU  56           HG       LEU  56  -7.488  -4.127  -0.129
  441   1HD1  LEU  56          3HD1      LEU  56  -7.623  -1.437   0.745
  442   2HD1  LEU  56          1HD1      LEU  56  -9.185  -2.320   0.869
  443   3HD1  LEU  56          2HD1      LEU  56  -7.774  -2.933   1.668
  444   1HD2  LEU  56          1HD2      LEU  56  -8.892  -2.738  -2.315
  445   2HD2  LEU  56          2HD2      LEU  56  -9.062  -4.431  -1.721
  446   3HD2  LEU  56          3HD2      LEU  56  -9.938  -3.106  -0.930
  447    H    GLY  57           H        GLY  57  -4.141  -5.465  -0.560
  448   1HA   GLY  57           HA1      GLY  57  -3.212  -6.940  -2.209
  449   2HA   GLY  57           HA2      GLY  57  -4.770  -7.409  -1.452
  450    HA   PRO  58           HA       PRO  58  -5.351  -7.331  -6.106
  451   1HB   PRO  58           HB1      PRO  58  -3.772  -9.522  -7.153
  452   2HB   PRO  58           HB2      PRO  58  -3.583  -7.807  -7.402
  453   1HG   PRO  58           HG1      PRO  58  -1.793  -9.422  -5.793
  454   2HG   PRO  58           HG2      PRO  58  -1.679  -7.687  -6.031
  455   1HD   PRO  58           HD2      PRO  58  -2.898  -9.170  -3.620
  456   2HD   PRO  58           HD1      PRO  58  -2.303  -7.506  -3.747
  457    H    GLN  59           H        GLN  59  -5.369  -9.947  -3.834
  458    HA   GLN  59           HA       GLN  59  -7.548 -11.321  -5.311
  459   1HB   GLN  59           HB1      GLN  59  -6.589 -11.826  -2.436
  460   2HB   GLN  59           HB2      GLN  59  -7.462 -12.955  -3.457
  461   1HG   GLN  59           HG1      GLN  59  -5.555 -13.514  -4.709
  462   2HG   GLN  59           HG2      GLN  59  -4.616 -12.085  -4.171
  463   1HE2  GLN  59          1HE2      GLN  59  -3.184 -13.732  -1.503
  464   2HE2  GLN  59          2HE2      GLN  59  -2.878 -12.871  -3.049
  465    H    ILE  60           H        ILE  60  -6.865  -9.176  -2.575
  466    HA   ILE  60           HA       ILE  60  -9.696  -8.585  -2.119
  467    HB   ILE  60           HB       ILE  60  -7.705  -8.688  -0.337
  468   1HG1  ILE  60          1HG1      ILE  60 -10.199  -7.069   0.165
  469   2HG1  ILE  60          2HG1      ILE  60 -10.259  -8.813  -0.218
  470   1HG2  ILE  60          1HG2      ILE  60  -7.626  -5.943  -1.186
  471   2HG2  ILE  60          2HG2      ILE  60  -7.973  -6.152   0.575
  472   3HG2  ILE  60          3HG2      ILE  60  -6.530  -6.883  -0.061
  473   1HD1  ILE  60           HD2      ILE  60  -8.360  -8.694   1.875
  474   2HD1  ILE  60           HD3      ILE  60  -9.536  -7.524   2.311
  475   3HD1  ILE  60           HD1      ILE  60 -10.042  -9.199   1.856
  476    H    ALA  61           H        ALA  61  -8.887  -8.037  -4.711
  477    HA   ALA  61           HA       ALA  61  -7.864  -5.357  -5.112
  478   1HB   ALA  61           HB3      ALA  61  -8.352  -7.892  -6.563
  479   2HB   ALA  61           HB1      ALA  61  -8.646  -6.488  -7.564
  480   3HB   ALA  61           HB2      ALA  61  -7.056  -6.704  -6.799
  481    H    TYR  62           H        TYR  62 -10.894  -6.559  -4.341
  482    HA   TYR  62           HA       TYR  62 -12.484  -5.834  -6.629
  483   1HB   TYR  62           HB1      TYR  62 -14.236  -7.078  -5.591
  484   2HB   TYR  62           HB2      TYR  62 -12.697  -8.003  -5.468
  485    HD1  TYR  62           HD1      TYR  62 -11.462  -8.009  -3.237
  486    HD2  TYR  62           HD2      TYR  62 -15.466  -6.440  -3.715
  487    HE1  TYR  62           HE1      TYR  62 -11.749  -7.728  -0.741
  488    HE2  TYR  62           HE2      TYR  62 -16.013  -7.296  -1.385
  489    HH   TYR  62           HH       TYR  62 -15.129  -7.767   0.598
  490    H    MET  63           H        MET  63 -11.622  -4.610  -3.451
  491    HA   MET  63           HA       MET  63 -14.140  -3.305  -2.789
  492   1HB   MET  63           HB1      MET  63 -11.533  -4.016  -1.514
  493   2HB   MET  63           HB2      MET  63 -12.639  -2.857  -0.706
  494   1HG   MET  63           HG1      MET  63 -13.391  -5.529  -1.697
  495   2HG   MET  63           HG2      MET  63 -12.845  -5.264  -0.023
  496   1HE   MET  63           HE2      MET  63 -13.843  -2.834   0.839
  497   2HE   MET  63           HE3      MET  63 -14.658  -2.126  -0.527
  498   3HE   MET  63           HE1      MET  63 -15.617  -2.543   0.904
  499    H    LEU  64           H        LEU  64 -11.873  -2.491  -4.893
  500    HA   LEU  64           HA       LEU  64 -10.369  -0.364  -3.917
  501   1HB   LEU  64           HB1      LEU  64 -10.582  -1.986  -6.194
  502   2HB   LEU  64           HB2      LEU  64 -11.070  -0.434  -6.892
  503    HG   LEU  64           HG       LEU  64  -8.412  -1.185  -5.718
  504   1HD1  LEU  64          3HD1      LEU  64  -9.379  -1.260  -8.349
  505   2HD1  LEU  64          1HD1      LEU  64  -8.069  -0.057  -8.193
  506   3HD1  LEU  64          2HD1      LEU  64  -7.819  -1.731  -7.784
  507   1HD2  LEU  64          3HD2      LEU  64  -9.393   1.213  -5.083
  508   2HD2  LEU  64          1HD2      LEU  64  -7.743   1.046  -5.709
  509   3HD2  LEU  64          2HD2      LEU  64  -9.084   1.582  -6.759
  510    HA   PRO  65           HA       PRO  65 -13.653   2.354  -6.187
  511   1HB   PRO  65           HB1      PRO  65 -16.196   1.361  -6.674
  512   2HB   PRO  65           HB2      PRO  65 -14.846   1.185  -7.821
  513   1HG   PRO  65           HG1      PRO  65 -15.794  -0.770  -5.657
  514   2HG   PRO  65           HG2      PRO  65 -15.416  -1.159  -7.362
  515   1HD   PRO  65           HD2      PRO  65 -13.589  -1.588  -5.289
  516   2HD   PRO  65           HD1      PRO  65 -13.006  -1.085  -6.890
  517    H    GLU  66           H        GLU  66 -15.050   0.246  -3.751
  518    HA   GLU  66           HA       GLU  66 -16.527   2.228  -2.329
  519   1HB   GLU  66           HB1      GLU  66 -17.249   0.239  -1.593
  520   2HB   GLU  66           HB2      GLU  66 -15.753  -0.606  -2.096
  521   1HG   GLU  66           HG1      GLU  66 -16.197  -0.779   0.322
  522   2HG   GLU  66           HG2      GLU  66 -14.683   0.117   0.031
  523    H    ILE  67           H        ILE  67 -13.148   0.896  -2.186
  524    HA   ILE  67           HA       ILE  67 -12.038   2.313  -0.055
  525    HB   ILE  67           HB       ILE  67 -10.689   1.574  -2.664
  526   1HG1  ILE  67          1HG1      ILE  67 -11.028  -0.552  -1.637
  527   2HG1  ILE  67          2HG1      ILE  67  -9.451  -0.030  -1.099
  528   1HG2  ILE  67          2HG2      ILE  67  -9.745   3.450  -1.088
  529   2HG2  ILE  67          3HG2      ILE  67  -8.966   2.044  -0.405
  530   3HG2  ILE  67          1HG2      ILE  67  -8.877   2.328  -2.171
  531   1HD1  ILE  67           HD1      ILE  67 -11.633   0.671   0.798
  532   2HD1  ILE  67           HD2      ILE  67 -11.233  -1.037   0.718
  533   3HD1  ILE  67           HD3      ILE  67  -9.995   0.073   1.046
  534    H    GLN  68           H        GLN  68 -12.413   3.272  -3.517
  535    HA   GLN  68           HA       GLN  68 -11.302   5.946  -3.159
  536   1HB   GLN  68           HB1      GLN  68 -12.679   4.419  -5.443
  537   2HB   GLN  68           HB2      GLN  68 -12.248   6.105  -5.603
  538   1HG   GLN  68           HG1      GLN  68 -10.550   3.736  -5.902
  539   2HG   GLN  68           HG2      GLN  68 -10.234   5.443  -6.329
  540   1HE2  GLN  68          1HE2      GLN  68  -8.450   6.114  -3.282
  541   2HE2  GLN  68          2HE2      GLN  68  -9.396   6.889  -4.577
  542    H    ARG  69           H        ARG  69 -14.463   4.498  -2.732
  543    HA   ARG  69           HA       ARG  69 -15.994   6.900  -2.878
  544   1HB   ARG  69           HB1      ARG  69 -16.430   4.187  -1.509
  545   2HB   ARG  69           HB2      ARG  69 -17.649   5.494  -1.534
  546   1HG   ARG  69           HG1      ARG  69 -16.554   4.783  -4.168
  547   2HG   ARG  69           HG2      ARG  69 -17.536   3.520  -3.419
  548   1HD   ARG  69           HD1      ARG  69 -18.574   6.397  -3.689
  549   2HD   ARG  69           HD2      ARG  69 -18.876   5.118  -4.870
  550    HE   ARG  69           HE       ARG  69 -19.500   3.885  -2.515
  551   1HH1  ARG  69          2HH1      ARG  69 -20.532   6.885  -3.771
  552   2HH1  ARG  69          1HH1      ARG  69 -22.024   6.963  -2.614
  553   1HH2  ARG  69          2HH2      ARG  69 -21.305   3.953  -1.387
  554   2HH2  ARG  69          1HH2      ARG  69 -22.531   5.393  -1.632
  555    H    LEU  70           H        LEU  70 -14.408   5.044  -0.225
  556    HA   LEU  70           HA       LEU  70 -15.686   6.713   1.840
  557   1HB   LEU  70           HB1      LEU  70 -16.199   4.372   2.202
  558   2HB   LEU  70           HB2      LEU  70 -14.698   3.859   1.431
  559    HG   LEU  70           HG       LEU  70 -14.874   4.887   4.268
  560   1HD1  LEU  70          3HD1      LEU  70 -15.464   2.268   3.280
  561   2HD1  LEU  70          1HD1      LEU  70 -14.344   2.438   4.692
  562   3HD1  LEU  70          2HD1      LEU  70 -15.978   3.031   4.743
  563   1HD2  LEU  70          3HD2      LEU  70 -12.672   4.500   2.401
  564   2HD2  LEU  70          1HD2      LEU  70 -12.606   4.972   4.117
  565   3HD2  LEU  70          2HD2      LEU  70 -12.545   3.233   3.568
  566    H    LEU  71           H        LEU  71 -12.670   6.369   0.236
  567    HA   LEU  71           HA       LEU  71 -11.901   8.766   1.681
  568   1HB   LEU  71           HB1      LEU  71  -9.978   7.876   2.778
  569   2HB   LEU  71           HB2      LEU  71 -10.871   6.333   2.669
  570    HG   LEU  71           HG       LEU  71  -9.544   6.067   0.457
  571   1HD1  LEU  71          1HD1      LEU  71  -7.850   8.092   1.698
  572   2HD1  LEU  71          2HD1      LEU  71  -7.332   7.072   0.318
  573   3HD1  LEU  71          3HD1      LEU  71  -8.637   8.171   0.099
  574   1HD2  LEU  71          1HD2      LEU  71  -9.149   5.293   3.145
  575   2HD2  LEU  71          2HD2      LEU  71  -8.472   4.500   1.696
  576   3HD2  LEU  71          3HD2      LEU  71  -7.546   5.718   2.579
  577    HA   PRO  72           HA       PRO  72 -10.611   9.080  -2.636
  578   1HB   PRO  72           HB1      PRO  72 -12.144  11.065  -3.467
  579   2HB   PRO  72           HB2      PRO  72 -12.888   9.480  -3.133
  580   1HG   PRO  72           HG1      PRO  72 -12.774  11.973  -1.341
  581   2HG   PRO  72           HG2      PRO  72 -14.161  10.913  -1.618
  582   1HD   PRO  72           HD2      PRO  72 -12.319  10.659   0.593
  583   2HD   PRO  72           HD1      PRO  72 -13.394   9.345   0.023
  584    H    ASN  73           H        ASN  73 -10.310  11.247  -0.069
  585    HA   ASN  73           HA       ASN  73  -9.383  13.582  -1.473
  586   1HB   ASN  73           HB1      ASN  73  -9.139  13.006   1.506
  587   2HB   ASN  73           HB2      ASN  73  -9.113  14.574   0.682
  588   1HD2  ASN  73          1HD2      ASN  73 -12.628  14.801   0.294
  589   2HD2  ASN  73          2HD2      ASN  73 -11.159  15.174  -0.593
  590    H    LYS  74           H        LYS  74  -7.911  10.568  -0.953
  591    HA   LYS  74           HA       LYS  74  -5.282  11.706  -1.329
  592   1HB   LYS  74           HB1      LYS  74  -4.745   9.716   0.642
  593   2HB   LYS  74           HB2      LYS  74  -4.438  11.492   0.717
  594   1HG   LYS  74           HG1      LYS  74  -7.173  11.317   1.319
  595   2HG   LYS  74           HG2      LYS  74  -6.504   9.890   2.121
  596   1HD   LYS  74           HD1      LYS  74  -4.726  11.466   3.057
  597   2HD   LYS  74           HD2      LYS  74  -5.921  12.740   2.672
  598   1HE   LYS  74           HE1      LYS  74  -7.067  10.276   3.920
  599   2HE   LYS  74           HE2      LYS  74  -6.086  11.305   5.046
  600   1HZ   LYS  74           HZ1      LYS  74  -7.432  13.185   4.274
  601   2HZ   LYS  74           HZ2      LYS  74  -8.427  12.117   3.413
  602   3HZ   LYS  74           HZ3      LYS  74  -8.317  12.002   5.109
  603    HA   PRO  75           HA       PRO  75  -4.607   8.217  -3.668
  604   1HB   PRO  75           HB1      PRO  75  -1.891   8.092  -3.929
  605   2HB   PRO  75           HB2      PRO  75  -2.867   9.541  -4.346
  606   1HG   PRO  75           HG1      PRO  75  -1.304   8.961  -1.768
  607   2HG   PRO  75           HG2      PRO  75  -1.348  10.478  -2.723
  608   1HD   PRO  75           HD2      PRO  75  -3.027   9.976  -0.451
  609   2HD   PRO  75           HD1      PRO  75  -3.398  11.195  -1.720
  610    H    VAL  76           H        VAL  76  -4.587   6.198  -4.106
  611    HA   VAL  76           HA       VAL  76  -4.054   4.104  -2.051
  612    HB   VAL  76           HB       VAL  76  -6.699   4.720  -3.209
  613   1HG1  VAL  76          3HG1      VAL  76  -5.690   2.355  -1.919
  614   2HG1  VAL  76          1HG1      VAL  76  -7.220   3.011  -1.295
  615   3HG1  VAL  76          2HG1      VAL  76  -7.016   2.647  -3.018
  616   1HG2  VAL  76          1HG2      VAL  76  -5.689   6.157  -1.054
  617   2HG2  VAL  76          2HG2      VAL  76  -7.392   5.768  -1.108
  618   3HG2  VAL  76          3HG2      VAL  76  -6.315   4.725  -0.194
  619    H    GLU  77           H        GLU  77  -4.176   2.041  -2.964
  620    HA   GLU  77           HA       GLU  77  -4.632   1.583  -5.791
  621   1HB   GLU  77           HB1      GLU  77  -2.105   2.392  -5.359
  622   2HB   GLU  77           HB2      GLU  77  -1.920   0.706  -4.881
  623   1HG   GLU  77           HG1      GLU  77  -1.533   0.466  -7.172
  624   2HG   GLU  77           HG2      GLU  77  -3.307   0.403  -7.235
  625    H    VAL  78           H        VAL  78  -4.906  -0.707  -6.265
  626    HA   VAL  78           HA       VAL  78  -4.666  -2.629  -4.171
  627    HB   VAL  78           HB       VAL  78  -6.348  -2.903  -5.871
  628   1HG1  VAL  78          3HG1      VAL  78  -4.663  -1.900  -7.769
  629   2HG1  VAL  78          1HG1      VAL  78  -4.587  -3.654  -7.991
  630   3HG1  VAL  78          2HG1      VAL  78  -6.126  -2.757  -8.062
  631   1HG2  VAL  78          3HG2      VAL  78  -4.138  -4.965  -5.911
  632   2HG2  VAL  78          1HG2      VAL  78  -5.697  -5.095  -5.069
  633   3HG2  VAL  78          2HG2      VAL  78  -5.602  -5.219  -6.866
  634    H    ILE  79           H        ILE  79  -2.921  -4.513  -4.526
  635    HA   ILE  79           HA       ILE  79  -0.342  -3.594  -5.477
  636    HB   ILE  79           HB       ILE  79  -1.040  -6.180  -4.245
  637   1HG1  ILE  79          1HG1      ILE  79  -0.061  -3.514  -3.238
  638   2HG1  ILE  79          2HG1      ILE  79  -1.398  -4.509  -2.548
  639   1HG2  ILE  79          3HG2      ILE  79   0.938  -6.338  -5.692
  640   2HG2  ILE  79          1HG2      ILE  79   1.676  -5.196  -4.560
  641   3HG2  ILE  79          2HG2      ILE  79   1.082  -6.801  -4.034
  642   1HD1  ILE  79           HD3      ILE  79   1.013  -6.019  -2.228
  643   2HD1  ILE  79           HD1      ILE  79   1.356  -4.311  -1.860
  644   3HD1  ILE  79           HD2      ILE  79   0.126  -5.228  -0.974
  645    H    ASP  80           H        ASP  80   0.915  -4.802  -7.077
  646    HA   ASP  80           HA       ASP  80  -0.376  -6.303  -9.207
  647   1HB   ASP  80           HB1      ASP  80   2.348  -5.117  -8.667
  648   2HB   ASP  80           HB2      ASP  80   2.348  -6.692  -9.467
  649    H    SER  81           H        SER  81   1.013  -8.366  -9.819
  650    HA   SER  81           HA       SER  81  -0.044 -10.156  -7.720
  651   1HB   SER  81           HB1      SER  81  -1.480 -10.008  -9.641
  652   2HB   SER  81           HB2      SER  81  -0.158 -10.302 -10.760
  653    HG   SER  81           HG       SER  81  -1.540 -12.202 -10.256
  654    H    LEU  82           H        LEU  82   2.479  -9.568 -10.164
  655    HA   LEU  82           HA       LEU  82   4.267 -11.684  -9.438
  656   1HB   LEU  82           HB1      LEU  82   4.019  -9.366 -11.278
  657   2HB   LEU  82           HB2      LEU  82   5.643  -9.408 -10.548
  658    HG   LEU  82           HG       LEU  82   4.915 -12.027 -11.505
  659   1HD1  LEU  82          3HD1      LEU  82   3.399 -11.301 -12.948
  660   2HD1  LEU  82          1HD1      LEU  82   4.525 -10.105 -13.656
  661   3HD1  LEU  82          2HD1      LEU  82   4.792 -11.832 -13.886
  662   1HD2  LEU  82          2HD2      LEU  82   7.149 -10.012 -11.934
  663   2HD2  LEU  82          3HD2      LEU  82   7.211 -11.639 -11.223
  664   3HD2  LEU  82          1HD2      LEU  82   7.007 -11.468 -12.976
  665    H    LEU  83           H        LEU  83   4.309  -8.045  -8.942
  666    HA   LEU  83           HA       LEU  83   6.647  -7.868  -7.414
  667   1HB   LEU  83           HB1      LEU  83   3.980  -6.263  -7.340
  668   2HB   LEU  83           HB2      LEU  83   5.561  -5.648  -6.770
  669    HG   LEU  83           HG       LEU  83   4.472  -5.763  -9.486
  670   1HD1  LEU  83          3HD1      LEU  83   4.908  -3.789  -7.758
  671   2HD1  LEU  83          1HD1      LEU  83   6.279  -3.703  -8.900
  672   3HD1  LEU  83          2HD1      LEU  83   4.600  -3.607  -9.454
  673   1HD2  LEU  83          3HD2      LEU  83   7.412  -6.339  -8.869
  674   2HD2  LEU  83          1HD2      LEU  83   6.348  -7.053 -10.062
  675   3HD2  LEU  83          2HD2      LEU  83   6.956  -5.368 -10.245
  676    H    TYR  84           H        TYR  84   3.145  -8.187  -6.487
  677    HA   TYR  84           HA       TYR  84   3.292  -8.285  -3.737
  678   1HB   TYR  84           HB1      TYR  84   1.241  -8.314  -5.242
  679   2HB   TYR  84           HB2      TYR  84   1.452 -10.074  -5.359
  680    HD1  TYR  84           HD1      TYR  84   1.878  -7.719  -2.467
  681    HD2  TYR  84           HD2      TYR  84  -0.405 -10.920  -4.265
  682    HE1  TYR  84           HE1      TYR  84   0.602  -7.991  -0.356
  683    HE2  TYR  84           HE2      TYR  84  -1.279 -11.583  -1.988
  684    HH   TYR  84           HH       TYR  84  -1.506 -10.916   0.082
  685    H    GLY  85           H        GLY  85   3.010 -11.280  -5.811
  686   1HA   GLY  85           HA1      GLY  85   3.676 -12.898  -3.424
  687   2HA   GLY  85           HA2      GLY  85   3.132 -13.445  -5.066
  688    H    LYS  86           H        LYS  86   5.857 -11.311  -5.234
  689    HA   LYS  86           HA       LYS  86   7.733 -13.444  -4.299
  690   1HB   LYS  86           HB1      LYS  86   9.355 -12.476  -6.021
  691   2HB   LYS  86           HB2      LYS  86   8.118 -13.703  -6.404
  692   1HG   LYS  86           HG1      LYS  86   6.815 -12.253  -7.640
  693   2HG   LYS  86           HG2      LYS  86   7.295 -10.796  -6.744
  694   1HD   LYS  86           HD1      LYS  86   8.683 -12.182  -9.103
  695   2HD   LYS  86           HD2      LYS  86   8.220 -10.466  -8.854
  696   1HE   LYS  86           HE1      LYS  86   9.819 -10.583  -6.708
  697   2HE   LYS  86           HE2      LYS  86  10.569 -11.920  -7.662
  698   1HZ   LYS  86           HZ1      LYS  86  10.740 -10.334  -9.535
  699   2HZ   LYS  86           HZ2      LYS  86  10.251  -9.130  -8.446
  700   3HZ   LYS  86           HZ3      LYS  86  11.711  -9.969  -8.185
  701    H    VAL  87           H        VAL  87   6.409 -10.521  -3.566
  702    HA   VAL  87           HA       VAL  87   6.738  -9.089  -1.933
  703    HB   VAL  87           HB       VAL  87   8.845 -10.813  -0.671
  704   1HG1  VAL  87          3HG1      VAL  87   7.440  -8.568   0.278
  705   2HG1  VAL  87          1HG1      VAL  87   7.134 -10.040   1.196
  706   3HG1  VAL  87          2HG1      VAL  87   8.768  -9.450   0.922
  707   1HG2  VAL  87          1HG2      VAL  87   6.347 -11.903  -1.502
  708   2HG2  VAL  87          2HG2      VAL  87   7.528 -12.625  -0.404
  709   3HG2  VAL  87          3HG2      VAL  87   6.226 -11.639   0.260
  710    H    ASP  88           H        ASP  88   7.682  -7.757  -3.682
  711    HA   ASP  88           HA       ASP  88  10.387  -6.769  -3.057
  712   1HB   ASP  88           HB1      ASP  88   8.764  -7.087  -5.544
  713   2HB   ASP  88           HB2      ASP  88   9.925  -5.743  -5.505
  714    H    GLY  89           H        GLY  89  10.325  -4.908  -1.859
  715   1HA   GLY  89           HA1      GLY  89   7.946  -3.321  -1.563
  716   2HA   GLY  89           HA2      GLY  89   9.477  -3.118  -0.669
  717    H    LEU  90           H        LEU  90  11.148  -2.773  -3.175
  718    HA   LEU  90           HA       LEU  90  10.900   0.039  -3.346
  719   1HB   LEU  90           HB1      LEU  90  13.158  -1.045  -3.378
  720   2HB   LEU  90           HB2      LEU  90  12.606  -2.247  -4.561
  721    HG   LEU  90           HG       LEU  90  12.914  -0.801  -6.332
  722   1HD1  LEU  90          3HD1      LEU  90  12.103   1.256  -4.978
  723   2HD1  LEU  90          1HD1      LEU  90  13.862   1.543  -4.947
  724   3HD1  LEU  90          2HD1      LEU  90  12.962   1.428  -6.480
  725   1HD2  LEU  90          2HD2      LEU  90  15.151  -0.950  -4.382
  726   2HD2  LEU  90          3HD2      LEU  90  14.991  -1.753  -5.962
  727   3HD2  LEU  90          1HD2      LEU  90  15.355  -0.020  -5.886
  728    H    GLY  91           H        GLY  91  10.432  -2.758  -5.648
  729   1HA   GLY  91           HA1      GLY  91   9.135  -1.544  -7.713
  730   2HA   GLY  91           HA2      GLY  91   8.767  -3.157  -7.045
  731    H    VAL  92           H        VAL  92   8.044  -1.587  -4.368
  732    HA   VAL  92           HA       VAL  92   5.185  -1.434  -5.095
  733    HB   VAL  92           HB       VAL  92   6.414  -2.190  -2.516
  734   1HG1  VAL  92          1HG1      VAL  92   4.555  -0.761  -2.137
  735   2HG1  VAL  92          2HG1      VAL  92   3.516  -1.995  -2.957
  736   3HG1  VAL  92          3HG1      VAL  92   4.321  -2.366  -1.474
  737   1HG2  VAL  92          1HG2      VAL  92   5.532  -3.525  -4.904
  738   2HG2  VAL  92          2HG2      VAL  92   6.211  -4.352  -3.519
  739   3HG2  VAL  92          3HG2      VAL  92   4.462  -3.973  -3.551
  740    H    LEU  93           H        LEU  93   7.620   0.071  -2.812
  741    HA   LEU  93           HA       LEU  93   6.502   2.495  -2.244
  742   1HB   LEU  93           HB1      LEU  93   8.954   1.370  -1.842
  743   2HB   LEU  93           HB2      LEU  93   9.398   2.244  -3.343
  744    HG   LEU  93           HG       LEU  93   9.390   4.261  -2.367
  745   1HD1  LEU  93          2HD1      LEU  93   7.210   3.540  -0.569
  746   2HD1  LEU  93          3HD1      LEU  93   8.439   4.641   0.007
  747   3HD1  LEU  93          1HD1      LEU  93   7.604   4.914  -1.586
  748   1HD2  LEU  93          1HD2      LEU  93  10.249   2.184  -0.341
  749   2HD2  LEU  93          2HD2      LEU  93  11.269   3.115  -1.436
  750   3HD2  LEU  93          3HD2      LEU  93  10.540   3.880  -0.002
  751    H    LYS  94           H        LYS  94   8.112   1.482  -5.395
  752    HA   LYS  94           HA       LYS  94   8.173   4.157  -6.343
  753   1HB   LYS  94           HB1      LYS  94   9.784   2.113  -6.821
  754   2HB   LYS  94           HB2      LYS  94   8.673   1.820  -8.164
  755   1HG   LYS  94           HG1      LYS  94   9.409   3.613  -9.369
  756   2HG   LYS  94           HG2      LYS  94   9.427   4.674  -7.939
  757   1HD   LYS  94           HD1      LYS  94  11.611   2.760  -7.787
  758   2HD   LYS  94           HD2      LYS  94  11.639   3.679  -9.313
  759   1HE   LYS  94           HE1      LYS  94  11.172   5.788  -7.813
  760   2HE   LYS  94           HE2      LYS  94  11.717   4.773  -6.455
  761   1HZ   LYS  94           HZ1      LYS  94  13.720   4.306  -7.776
  762   2HZ   LYS  94           HZ2      LYS  94  13.228   5.488  -8.891
  763   3HZ   LYS  94           HZ3      LYS  94  13.562   5.929  -7.282
  764    H    ALA  95           H        ALA  95   6.176   1.256  -6.962
  765    HA   ALA  95           HA       ALA  95   4.395   2.232  -8.878
  766   1HB   ALA  95           HB2      ALA  95   4.315   0.064  -6.823
  767   2HB   ALA  95           HB3      ALA  95   2.780   0.623  -7.455
  768   3HB   ALA  95           HB1      ALA  95   4.000   0.004  -8.552
  769    H    ALA  96           H        ALA  96   4.152   2.220  -5.267
  770    HA   ALA  96           HA       ALA  96   2.184   3.891  -4.618
  771   1HB   ALA  96           HB2      ALA  96   4.173   2.990  -3.173
  772   2HB   ALA  96           HB3      ALA  96   5.003   4.472  -3.588
  773   3HB   ALA  96           HB1      ALA  96   3.484   4.541  -2.692
  774    H    VAL  97           H        VAL  97   5.419   5.043  -5.771
  775    HA   VAL  97           HA       VAL  97   4.978   7.784  -5.717
  776    HB   VAL  97           HB       VAL  97   6.944   5.924  -6.823
  777   1HG1  VAL  97          3HG1      VAL  97   6.386   8.293  -8.462
  778   2HG1  VAL  97          1HG1      VAL  97   8.013   8.157  -7.826
  779   3HG1  VAL  97          2HG1      VAL  97   7.306   6.842  -8.801
  780   1HG2  VAL  97          3HG2      VAL  97   7.153   8.594  -5.348
  781   2HG2  VAL  97          1HG2      VAL  97   7.355   6.962  -4.658
  782   3HG2  VAL  97          2HG2      VAL  97   8.534   7.600  -5.776
  783    H    ALA  98           H        ALA  98   4.174   5.245  -8.115
  784    HA   ALA  98           HA       ALA  98   3.634   6.838 -10.360
  785   1HB   ALA  98           HB1      ALA  98   3.742   4.099  -9.748
  786   2HB   ALA  98           HB2      ALA  98   2.042   4.334 -10.123
  787   3HB   ALA  98           HB3      ALA  98   3.253   4.755 -11.324
  788    H    ALA  99           H        ALA  99   1.745   5.964  -7.545
  789    HA   ALA  99           HA       ALA  99  -0.817   6.803  -8.620
  790   1HB   ALA  99           HB2      ALA  99  -0.320   4.918  -6.771
  791   2HB   ALA  99           HB3      ALA  99  -0.379   6.326  -5.664
  792   3HB   ALA  99           HB1      ALA  99  -1.775   5.900  -6.688
  793    H    ILE 100           H        ILE 100   1.941   8.195  -7.036
  794    HA   ILE 100           HA       ILE 100   0.771  10.396  -5.716
  795    HB   ILE 100           HB       ILE 100   3.495   9.394  -6.200
  796   1HG1  ILE 100          1HG1      ILE 100   2.027   8.689  -4.194
  797   2HG1  ILE 100          2HG1      ILE 100   3.692   9.255  -3.860
  798   1HG2  ILE 100          1HG2      ILE 100   2.953  12.203  -5.644
  799   2HG2  ILE 100          2HG2      ILE 100   4.487  11.419  -5.182
  800   3HG2  ILE 100          3HG2      ILE 100   4.010  11.496  -6.862
  801   1HD1  ILE 100           HD2      ILE 100   1.954  11.543  -3.379
  802   2HD1  ILE 100           HD3      ILE 100   1.337  10.086  -2.606
  803   3HD1  ILE 100           HD1      ILE 100   3.023  10.553  -2.379
  804    H    LYS 101           H        LYS 101   2.962   9.881  -8.475
  805    HA   LYS 101           HA       LYS 101   2.882  12.300  -9.744
  806   1HB   LYS 101           HB1      LYS 101   4.467  10.950 -10.596
  807   2HB   LYS 101           HB2      LYS 101   3.376   9.536 -10.778
  808   1HG   LYS 101           HG1      LYS 101   4.006  10.603 -12.951
  809   2HG   LYS 101           HG2      LYS 101   2.229  10.566 -12.684
  810   1HD   LYS 101           HD1      LYS 101   3.069  12.694 -13.693
  811   2HD   LYS 101           HD2      LYS 101   2.180  12.913 -12.173
  812   1HE   LYS 101           HE1      LYS 101   4.160  14.285 -11.928
  813   2HE   LYS 101           HE2      LYS 101   4.510  12.805 -11.005
  814   1HZ   LYS 101           HZ1      LYS 101   5.582  11.901 -12.985
  815   2HZ   LYS 101           HZ2      LYS 101   5.428  13.476 -13.713
  816   3HZ   LYS 101           HZ3      LYS 101   6.389  13.284 -12.361
  817    H    LYS 102           H        LYS 102   0.532   9.563 -10.133
  818    HA   LYS 102           HA       LYS 102  -1.056  11.043 -12.024
  819   1HB   LYS 102           HB1      LYS 102  -0.829   8.354 -11.386
  820   2HB   LYS 102           HB2      LYS 102  -2.455   8.792 -10.784
  821   1HG   LYS 102           HG1      LYS 102  -1.627   9.785 -13.528
  822   2HG   LYS 102           HG2      LYS 102  -2.079   8.083 -13.362
  823   1HD   LYS 102           HD1      LYS 102  -4.284   8.533 -13.004
  824   2HD   LYS 102           HD2      LYS 102  -3.960  10.068 -12.174
  825   1HE   LYS 102           HE1      LYS 102  -3.056  10.061 -15.022
  826   2HE   LYS 102           HE2      LYS 102  -4.830   9.917 -14.838
  827   1HZ   LYS 102           HZ1      LYS 102  -4.626  11.851 -13.274
  828   2HZ   LYS 102           HZ2      LYS 102  -3.035  12.021 -13.793
  829   3HZ   LYS 102           HZ3      LYS 102  -4.268  12.210 -14.914
  830    H    ALA 103           H        ALA 103  -0.775  10.995  -8.609
  831    HA   ALA 103           HA       ALA 103  -3.395  11.816  -7.887
  832   1HB   ALA 103           HB2      ALA 103  -0.841  11.295  -6.545
  833   2HB   ALA 103           HB3      ALA 103  -1.658  12.736  -5.876
  834   3HB   ALA 103           HB1      ALA 103  -2.452  11.144  -5.917
  835    H    ALA 104           H        ALA 104  -0.769  13.316  -9.498
  836    HA   ALA 104           HA       ALA 104  -0.830  15.949  -8.859
  837   1HB   ALA 104           HB1      ALA 104   0.087  14.345 -11.028
  838   2HB   ALA 104           HB2      ALA 104  -0.989  15.530 -11.787
  839   3HB   ALA 104           HB3      ALA 104   0.396  16.099 -10.863
  840    H    ALA 105           H        ALA 105  -1.848  17.631 -10.649
  841    HA   ALA 105           HA       ALA 105  -4.779  17.303 -10.510
  842   1HB   ALA 105           HB1      ALA 105  -3.619  18.929  -8.813
  843   2HB   ALA 105           HB2      ALA 105  -3.495  20.018 -10.207
  844   3HB   ALA 105           HB3      ALA 105  -5.085  19.444  -9.675
  845    H    ASN 106           H        ASN 106  -2.067  19.118 -11.998
  846    HA   ASN 106           HA       ASN 106  -3.438  19.198 -14.612
  847   1HB   ASN 106           HB1      ASN 106  -2.510  21.463 -12.989
  848   2HB   ASN 106           HB2      ASN 106  -1.856  21.454 -14.651
  849   1HD2  ASN 106          1HD2      ASN 106  -5.172  23.246 -14.535
  850   2HD2  ASN 106          2HD2      ASN 106  -3.713  23.456 -13.571
   
  No H/Q in entry =         850
  Start of MODEL    6
    1    H    MET   1           H        MET   1  10.274  15.847   6.010
    2    HA   MET   1           HA       MET   1   8.259  17.353   4.653
    3   1HB   MET   1           HB1      MET   1  10.449  16.621   2.796
    4   2HB   MET   1           HB2      MET   1   9.429  18.088   2.819
    5   1HG   MET   1           HG1      MET   1  10.834  18.949   4.752
    6   2HG   MET   1           HG2      MET   1  11.885  17.539   4.527
    7   1HE   MET   1           HE1      MET   1  13.580  17.336   3.148
    8   2HE   MET   1           HE2      MET   1  12.972  17.289   1.461
    9   3HE   MET   1           HE3      MET   1  14.267  18.403   1.893
   10    H    GLU   2           H        GLU   2  10.718  14.767   4.446
   11    HA   GLU   2           HA       GLU   2   9.173  13.175   2.563
   12   1HB   GLU   2           HB1      GLU   2  11.691  13.859   2.344
   13   2HB   GLU   2           HB2      GLU   2  11.978  12.638   3.590
   14   1HG   GLU   2           HG1      GLU   2  11.779  12.182   0.772
   15   2HG   GLU   2           HG2      GLU   2  12.044  11.008   2.063
   16    H    LYS   3           H        LYS   3   7.573  12.145   4.060
   17    HA   LYS   3           HA       LYS   3   8.324  10.054   5.684
   18   1HB   LYS   3           HB1      LYS   3   9.341  10.943   7.469
   19   2HB   LYS   3           HB2      LYS   3   9.239  12.519   6.689
   20   1HG   LYS   3           HG1      LYS   3   7.718  13.290   8.160
   21   2HG   LYS   3           HG2      LYS   3   6.693  11.831   8.136
   22   1HD   LYS   3           HD1      LYS   3   8.960  12.609   9.929
   23   2HD   LYS   3           HD2      LYS   3   7.350  11.944  10.323
   24   1HE   LYS   3           HE1      LYS   3   8.392   9.843  10.549
   25   2HE   LYS   3           HE2      LYS   3   8.837   9.853   8.850
   26   1HZ   LYS   3           HZ1      LYS   3  10.736  11.313   9.470
   27   2HZ   LYS   3           HZ2      LYS   3  10.304  11.036  11.104
   28   3HZ   LYS   3           HZ3      LYS   3  10.774   9.723  10.179
   29    H    LYS   4           H        LYS   4   6.495   8.857   5.916
   30    HA   LYS   4           HA       LYS   4   3.950   9.798   6.457
   31   1HB   LYS   4           HB1      LYS   4   2.793   9.933   4.236
   32   2HB   LYS   4           HB2      LYS   4   3.754  11.298   4.813
   33   1HG   LYS   4           HG1      LYS   4   3.834  10.337   2.239
   34   2HG   LYS   4           HG2      LYS   4   5.182  11.201   3.000
   35   1HD   LYS   4           HD1      LYS   4   5.122   8.195   3.272
   36   2HD   LYS   4           HD2      LYS   4   5.370   8.847   1.637
   37   1HE   LYS   4           HE1      LYS   4   7.151  10.422   2.985
   38   2HE   LYS   4           HE2      LYS   4   7.236   8.933   4.009
   39   1HZ   LYS   4           HZ1      LYS   4   7.535   7.669   1.970
   40   2HZ   LYS   4           HZ2      LYS   4   7.678   9.109   1.092
   41   3HZ   LYS   4           HZ3      LYS   4   8.826   8.730   2.325
   42    H    HIS   5           H        HIS   5   2.259   8.411   6.241
   43    HA   HIS   5           HA       HIS   5   2.846   5.602   6.454
   44   1HB   HIS   5           HB1      HIS   5   0.124   6.781   6.528
   45   2HB   HIS   5           HB2      HIS   5   0.793   5.426   7.423
   46    HD1  HIS   5           HD1      HIS   5  -0.068   8.951   7.981
   47    HD2  HIS   5           HD2      HIS   5   3.017   6.451   9.229
   48    HE1  HIS   5           HE1      HIS   5   1.111  10.026  10.094
   49    H    ILE   6           H        ILE   6   2.979   4.260   4.836
   50    HA   ILE   6           HA       ILE   6   1.095   4.081   2.576
   51    HB   ILE   6           HB       ILE   6   3.763   2.889   2.879
   52   1HG1  ILE   6          1HG1      ILE   6   2.918   5.540   1.686
   53   2HG1  ILE   6          2HG1      ILE   6   4.325   5.123   2.728
   54   1HG2  ILE   6          1HG2      ILE   6   1.764   2.669   0.761
   55   2HG2  ILE   6          2HG2      ILE   6   3.468   2.636   0.287
   56   3HG2  ILE   6          3HG2      ILE   6   2.838   1.443   1.416
   57   1HD1  ILE   6           HD2      ILE   6   5.427   4.032   0.710
   58   2HD1  ILE   6           HD3      ILE   6   4.150   4.646  -0.262
   59   3HD1  ILE   6           HD1      ILE   6   5.157   5.775   0.718
   60    H    TYR   7           H        TYR   7  -0.525   2.746   3.120
   61    HA   TYR   7           HA       TYR   7   0.054   0.297   4.724
   62   1HB   TYR   7           HB1      TYR   7  -2.618   1.745   4.691
   63   2HB   TYR   7           HB2      TYR   7  -2.156   0.295   5.591
   64    HD1  TYR   7           HD1      TYR   7   0.129   0.658   7.034
   65    HD2  TYR   7           HD2      TYR   7  -2.425   3.757   5.572
   66    HE1  TYR   7           HE1      TYR   7   0.604   1.979   9.149
   67    HE2  TYR   7           HE2      TYR   7  -1.794   5.219   7.538
   68    HH   TYR   7           HH       TYR   7  -0.694   5.325   9.466
   69    H    LEU   8           H        LEU   8  -0.723  -1.607   4.130
   70    HA   LEU   8           HA       LEU   8  -1.414  -1.981   1.288
   71   1HB   LEU   8           HB1      LEU   8   0.361  -3.571   3.270
   72   2HB   LEU   8           HB2      LEU   8   0.035  -4.091   1.575
   73    HG   LEU   8           HG       LEU   8   1.644  -1.762   2.362
   74   1HD1  LEU   8          1HD1      LEU   8   2.673  -4.056   2.469
   75   2HD1  LEU   8          2HD1      LEU   8   2.605  -4.030   0.709
   76   3HD1  LEU   8          3HD1      LEU   8   3.497  -2.752   1.506
   77   1HD2  LEU   8          2HD2      LEU   8   0.517  -2.851  -0.188
   78   2HD2  LEU   8          3HD2      LEU   8   0.154  -1.268   0.455
   79   3HD2  LEU   8          1HD2      LEU   8   1.788  -1.564  -0.144
   80    H    PHE   9           H        PHE   9  -3.678  -2.456   1.431
   81    HA   PHE   9           HA       PHE   9  -4.768  -3.896   3.649
   82   1HB   PHE   9           HB1      PHE   9  -5.722  -2.089   1.469
   83   2HB   PHE   9           HB2      PHE   9  -6.850  -2.729   2.663
   84    HD1  PHE   9           HD2      PHE   9  -6.483  -2.138   5.161
   85    HD2  PHE   9           HD1      PHE   9  -4.671  -0.057   1.840
   86    HE1  PHE   9           HE2      PHE   9  -5.363  -0.536   6.744
   87    HE2  PHE   9           HE1      PHE   9  -4.376   1.959   3.326
   88    HZ   PHE   9           HZ       PHE   9  -4.630   1.643   5.832
   89    H    SER  10           H        SER  10  -5.199  -6.331   3.040
   90    HA   SER  10           HA       SER  10  -4.536  -6.815   0.173
   91   1HB   SER  10           HB1      SER  10  -2.571  -6.658   2.070
   92   2HB   SER  10           HB2      SER  10  -3.041  -8.381   2.188
   93    HG   SER  10           HG       SER  10  -1.380  -7.960   0.577
   94    H    SER  11           H        SER  11  -4.130  -9.399   0.012
   95    HA   SER  11           HA       SER  11  -6.973 -10.263   0.300
   96   1HB   SER  11           HB1      SER  11  -7.037 -10.484  -1.900
   97   2HB   SER  11           HB2      SER  11  -5.425  -9.745  -2.017
   98    HG   SER  11           HG       SER  11  -5.641 -11.864  -3.054
   99    H    ALA  12           H        ALA  12  -3.568 -11.298   0.323
  100    HA   ALA  12           HA       ALA  12  -4.378 -14.141   0.777
  101   1HB   ALA  12           HB1      ALA  12  -2.419 -13.038  -1.311
  102   2HB   ALA  12           HB2      ALA  12  -2.176 -14.653  -0.611
  103   3HB   ALA  12           HB3      ALA  12  -3.702 -14.284  -1.423
  104    H    GLY  13           H        GLY  13  -3.657 -12.530   3.000
  105   1HA   GLY  13           HA1      GLY  13  -1.669 -11.860   4.135
  106   2HA   GLY  13           HA2      GLY  13  -2.439 -13.292   4.872
  107    H    MET  14           H        MET  14   0.510 -11.988   3.602
  108    HA   MET  14           HA       MET  14   2.573 -12.777   3.961
  109   1HB   MET  14           HB1      MET  14   1.158 -15.384   4.331
  110   2HB   MET  14           HB2      MET  14   2.722 -15.556   3.515
  111   1HG   MET  14           HG1      MET  14   3.888 -14.912   5.388
  112   2HG   MET  14           HG2      MET  14   2.671 -13.711   5.884
  113   1HE   MET  14           HE2      MET  14   3.718 -14.473   7.949
  114   2HE   MET  14           HE3      MET  14   2.247 -14.734   8.890
  115   3HE   MET  14           HE1      MET  14   3.398 -16.051   8.744
  116    H    SER  15           H        SER  15   0.606 -12.585   1.397
  117    HA   SER  15           HA       SER  15   3.002 -12.517  -0.319
  118   1HB   SER  15           HB1      SER  15   0.951 -13.377  -1.393
  119   2HB   SER  15           HB2      SER  15   0.077 -11.879  -0.968
  120    HG   SER  15           HG       SER  15   1.032 -12.032  -3.189
  121    H    THR  16           H        THR  16   2.257 -10.976   2.219
  122    HA   THR  16           HA       THR  16   1.710  -8.243   1.329
  123    HB   THR  16           HB       THR  16   0.559  -9.457   3.847
  124    HG1  THR  16           HG1      THR  16  -1.478  -9.357   2.655
  125   1HG2  THR  16          2HG2      THR  16   0.366  -6.712   2.736
  126   2HG2  THR  16          3HG2      THR  16  -0.956  -7.428   3.648
  127   3HG2  THR  16          1HG2      THR  16   0.675  -7.300   4.361
  128    H    SER  17           H        SER  17   2.318  -9.804   4.550
  129    HA   SER  17           HA       SER  17   2.900  -7.432   5.803
  130   1HB   SER  17           HB1      SER  17   2.472  -9.124   7.343
  131   2HB   SER  17           HB2      SER  17   3.252 -10.366   6.338
  132    HG   SER  17           HG       SER  17   4.339  -9.918   8.369
  133    H    LEU  18           H        LEU  18   5.229  -9.736   4.338
  134    HA   LEU  18           HA       LEU  18   7.595  -8.478   5.266
  135   1HB   LEU  18           HB1      LEU  18   6.934 -10.987   4.548
  136   2HB   LEU  18           HB2      LEU  18   7.225 -10.420   2.886
  137    HG   LEU  18           HG       LEU  18   9.002 -11.666   4.575
  138   1HD1  LEU  18          2HD1      LEU  18   8.955 -11.677   2.049
  139   2HD1  LEU  18          3HD1      LEU  18  10.084 -10.337   2.218
  140   3HD1  LEU  18          1HD1      LEU  18  10.414 -11.900   3.000
  141   1HD2  LEU  18          2HD2      LEU  18   9.678  -8.711   4.502
  142   2HD2  LEU  18          3HD2      LEU  18   9.795  -9.809   5.864
  143   3HD2  LEU  18          1HD2      LEU  18  10.961  -9.944   4.531
  144    H    LEU  19           H        LEU  19   5.377  -7.931   2.682
  145    HA   LEU  19           HA       LEU  19   7.225  -6.682   0.773
  146   1HB   LEU  19           HB1      LEU  19   5.468  -7.522  -0.521
  147   2HB   LEU  19           HB2      LEU  19   4.518  -7.898   0.960
  148    HG   LEU  19           HG       LEU  19   3.427  -5.799   0.866
  149   1HD1  LEU  19          2HD1      LEU  19   5.417  -4.774  -1.005
  150   2HD1  LEU  19          3HD1      LEU  19   3.741  -4.346  -1.243
  151   3HD1  LEU  19          1HD1      LEU  19   4.495  -4.068   0.340
  152   1HD2  LEU  19          1HD2      LEU  19   3.584  -7.401  -1.683
  153   2HD2  LEU  19          2HD2      LEU  19   2.256  -7.374  -0.491
  154   3HD2  LEU  19          3HD2      LEU  19   2.469  -6.028  -1.591
  155    H    VAL  20           H        VAL  20   4.831  -5.809   3.309
  156    HA   VAL  20           HA       VAL  20   5.225  -2.931   3.270
  157    HB   VAL  20           HB       VAL  20   3.933  -4.939   4.927
  158   1HG1  VAL  20          3HG1      VAL  20   5.904  -4.248   6.477
  159   2HG1  VAL  20          1HG1      VAL  20   4.864  -2.832   6.622
  160   3HG1  VAL  20          2HG1      VAL  20   4.272  -4.489   6.999
  161   1HG2  VAL  20          1HG2      VAL  20   3.265  -2.483   3.752
  162   2HG2  VAL  20          2HG2      VAL  20   2.218  -3.476   4.801
  163   3HG2  VAL  20          3HG2      VAL  20   3.189  -2.189   5.496
  164    H    SER  21           H        SER  21   6.706  -5.707   5.064
  165    HA   SER  21           HA       SER  21   8.025  -4.097   6.901
  166   1HB   SER  21           HB1      SER  21   9.188  -6.117   7.577
  167   2HB   SER  21           HB2      SER  21   7.544  -6.632   7.095
  168    HG   SER  21           HG       SER  21   9.349  -7.894   6.200
  169    H    LYS  22           H        LYS  22   8.810  -5.293   3.688
  170    HA   LYS  22           HA       LYS  22  11.649  -4.638   3.937
  171   1HB   LYS  22           HB1      LYS  22  11.705  -6.613   2.810
  172   2HB   LYS  22           HB2      LYS  22  10.036  -6.458   2.206
  173   1HG   LYS  22           HG1      LYS  22  10.665  -5.040   0.397
  174   2HG   LYS  22           HG2      LYS  22  12.290  -4.738   1.007
  175   1HD   LYS  22           HD1      LYS  22  11.893  -6.229  -1.046
  176   2HD   LYS  22           HD2      LYS  22  13.014  -6.889   0.144
  177   1HE   LYS  22           HE1      LYS  22  10.171  -7.676   0.674
  178   2HE   LYS  22           HE2      LYS  22  10.811  -8.194  -0.907
  179   1HZ   LYS  22           HZ1      LYS  22  12.719  -9.105   0.305
  180   2HZ   LYS  22           HZ2      LYS  22  11.945  -8.738   1.778
  181   3HZ   LYS  22           HZ3      LYS  22  11.241  -9.851   0.707
  182    H    MET  23           H        MET  23   8.615  -3.595   2.347
  183    HA   MET  23           HA       MET  23   9.425  -1.530   0.726
  184   1HB   MET  23           HB1      MET  23   6.970  -2.329   2.114
  185   2HB   MET  23           HB2      MET  23   7.105  -0.559   1.980
  186   1HG   MET  23           HG1      MET  23   8.002  -1.634  -0.497
  187   2HG   MET  23           HG2      MET  23   6.514  -2.496  -0.066
  188   1HE   MET  23           HE3      MET  23   4.343  -1.302   0.546
  189   2HE   MET  23           HE1      MET  23   4.351   0.446   0.905
  190   3HE   MET  23           HE2      MET  23   3.729  -0.133  -0.624
  191    H    ARG  24           H        ARG  24   8.710  -1.604   4.255
  192    HA   ARG  24           HA       ARG  24   9.618   0.950   5.032
  193   1HB   ARG  24           HB1      ARG  24   9.633  -1.777   6.443
  194   2HB   ARG  24           HB2      ARG  24  10.123  -0.273   7.261
  195   1HG   ARG  24           HG1      ARG  24   7.932   0.485   7.428
  196   2HG   ARG  24           HG2      ARG  24   7.455  -0.196   5.844
  197   1HD   ARG  24           HD1      ARG  24   6.561  -1.962   6.796
  198   2HD   ARG  24           HD2      ARG  24   8.082  -2.355   7.630
  199    HE   ARG  24           HE       ARG  24   5.804  -0.867   8.764
  200   1HH1  ARG  24          2HH1      ARG  24   9.183  -1.278   9.056
  201   2HH1  ARG  24          1HH1      ARG  24   9.143  -1.025  10.906
  202   1HH2  ARG  24          2HH2      ARG  24   5.844  -0.722  10.887
  203   2HH2  ARG  24          1HH2      ARG  24   7.463  -0.869  11.831
  204    H    ALA  25           H        ALA  25  11.440  -2.197   4.983
  205    HA   ALA  25           HA       ALA  25  13.908  -1.706   5.690
  206   1HB   ALA  25           HB2      ALA  25  12.891  -3.223   3.298
  207   2HB   ALA  25           HB3      ALA  25  14.575  -3.363   3.914
  208   3HB   ALA  25           HB1      ALA  25  13.207  -3.839   4.915
  209    H    GLN  26           H        GLN  26  13.000  -1.578   2.227
  210    HA   GLN  26           HA       GLN  26  14.361   0.133   0.813
  211   1HB   GLN  26           HB1      GLN  26  11.500  -0.376   1.470
  212   2HB   GLN  26           HB2      GLN  26  11.760   1.238   0.729
  213   1HG   GLN  26           HG1      GLN  26  10.959  -0.846  -0.653
  214   2HG   GLN  26           HG2      GLN  26  12.171   0.252  -1.397
  215   1HE2  GLN  26          1HE2      GLN  26  13.046  -3.572  -0.628
  216   2HE2  GLN  26          2HE2      GLN  26  11.949  -2.808   0.549
  217    H    ALA  27           H        ALA  27  11.915   1.413   3.143
  218    HA   ALA  27           HA       ALA  27  12.151   4.003   2.311
  219   1HB   ALA  27           HB3      ALA  27  10.198   2.950   3.485
  220   2HB   ALA  27           HB1      ALA  27  11.093   3.027   5.000
  221   3HB   ALA  27           HB2      ALA  27  10.617   4.526   4.182
  222    H    GLU  28           H        GLU  28  13.320   2.420   5.319
  223    HA   GLU  28           HA       GLU  28  14.853   4.666   6.307
  224   1HB   GLU  28           HB1      GLU  28  13.978   3.444   8.045
  225   2HB   GLU  28           HB2      GLU  28  13.966   1.941   7.103
  226   1HG   GLU  28           HG1      GLU  28  16.133   1.427   7.560
  227   2HG   GLU  28           HG2      GLU  28  16.626   3.128   7.809
  228    H    LYS  29           H        LYS  29  15.232   1.879   4.148
  229    HA   LYS  29           HA       LYS  29  18.049   1.655   4.044
  230   1HB   LYS  29           HB1      LYS  29  16.131   0.166   3.163
  231   2HB   LYS  29           HB2      LYS  29  16.135   1.270   1.760
  232   1HG   LYS  29           HG1      LYS  29  17.920   0.295   0.877
  233   2HG   LYS  29           HG2      LYS  29  18.846   0.355   2.410
  234   1HD   LYS  29           HD1      LYS  29  18.580  -1.925   1.475
  235   2HD   LYS  29           HD2      LYS  29  17.871  -1.758   3.097
  236   1HE   LYS  29           HE1      LYS  29  15.594  -1.492   2.069
  237   2HE   LYS  29           HE2      LYS  29  16.316  -1.353   0.468
  238   1HZ   LYS  29           HZ1      LYS  29  17.152  -3.646   0.797
  239   2HZ   LYS  29           HZ2      LYS  29  16.205  -3.728   2.209
  240   3HZ   LYS  29           HZ3      LYS  29  15.441  -3.500   0.690
  241    H    TYR  30           H        TYR  30  15.762   3.984   2.803
  242    HA   TYR  30           HA       TYR  30  17.427   4.771   0.533
  243   1HB   TYR  30           HB1      TYR  30  14.442   4.683   0.930
  244   2HB   TYR  30           HB2      TYR  30  15.193   5.531  -0.444
  245    HD1  TYR  30           HD2      TYR  30  17.136   2.745   0.395
  246    HD2  TYR  30           HD1      TYR  30  13.557   3.941  -1.710
  247    HE1  TYR  30           HE2      TYR  30  17.167   0.562  -0.867
  248    HE2  TYR  30           HE1      TYR  30  13.448   1.679  -2.841
  249    HH   TYR  30           HH       TYR  30  16.239  -0.624  -2.490
  250    H    GLU  31           H        GLU  31  15.177   5.895   3.051
  251    HA   GLU  31           HA       GLU  31  14.789   8.043   3.782
  252   1HB   GLU  31           HB1      GLU  31  16.936   8.817   2.494
  253   2HB   GLU  31           HB2      GLU  31  15.883   9.118   1.116
  254   1HG   GLU  31           HG1      GLU  31  15.693  11.238   2.056
  255   2HG   GLU  31           HG2      GLU  31  14.446  10.444   3.053
  256    H    VAL  32           H        VAL  32  13.068   6.202   2.591
  257    HA   VAL  32           HA       VAL  32  11.091   8.052   1.391
  258    HB   VAL  32           HB       VAL  32  10.839   5.045   1.105
  259   1HG1  VAL  32          2HG1      VAL  32   9.568   7.320  -0.351
  260   2HG1  VAL  32          3HG1      VAL  32   9.706   5.736  -1.066
  261   3HG1  VAL  32          1HG1      VAL  32   8.951   5.927   0.543
  262   1HG2  VAL  32          2HG2      VAL  32  12.983   6.710  -0.197
  263   2HG2  VAL  32          3HG2      VAL  32  12.797   4.987  -0.070
  264   3HG2  VAL  32          1HG2      VAL  32  11.866   5.894  -1.303
  265    HA   PRO  33           HA       PRO  33  10.467   6.787   5.812
  266   1HB   PRO  33           HB1      PRO  33  10.070   9.750   6.272
  267   2HB   PRO  33           HB2      PRO  33  11.097   8.518   7.021
  268   1HG   PRO  33           HG1      PRO  33  12.136  10.284   5.236
  269   2HG   PRO  33           HG2      PRO  33  12.652   8.608   5.174
  270   1HD   PRO  33           HD2      PRO  33  10.286   9.834   3.645
  271   2HD   PRO  33           HD1      PRO  33  11.711   9.092   2.875
  272    H    VAL  34           H        VAL  34   8.709   8.784   7.331
  273    HA   VAL  34           HA       VAL  34   7.716   7.519   8.942
  274    HB   VAL  34           HB       VAL  34   5.320   7.911   7.358
  275   1HG1  VAL  34          3HG1      VAL  34   5.802   7.498  10.204
  276   2HG1  VAL  34          1HG1      VAL  34   4.328   8.128   9.438
  277   3HG1  VAL  34          2HG1      VAL  34   4.973   6.457   9.124
  278   1HG2  VAL  34          3HG2      VAL  34   7.123   9.893   8.000
  279   2HG2  VAL  34          1HG2      VAL  34   5.365  10.135   7.980
  280   3HG2  VAL  34          2HG2      VAL  34   6.214   9.733   9.508
  281    H    ILE  35           H        ILE  35   5.199   6.013   7.293
  282    HA   ILE  35           HA       ILE  35   6.193   3.414   8.241
  283    HB   ILE  35           HB       ILE  35   3.569   4.715   8.732
  284   1HG1  ILE  35          1HG1      ILE  35   5.988   3.918  10.477
  285   2HG1  ILE  35          2HG1      ILE  35   4.940   5.353  10.597
  286   1HG2  ILE  35          1HG2      ILE  35   3.054   2.661   7.939
  287   2HG2  ILE  35          2HG2      ILE  35   4.088   1.818   9.105
  288   3HG2  ILE  35          3HG2      ILE  35   2.670   2.702   9.667
  289   1HD1  ILE  35           HD3      ILE  35   3.191   3.477  11.388
  290   2HD1  ILE  35           HD1      ILE  35   4.768   2.694  11.750
  291   3HD1  ILE  35           HD2      ILE  35   4.252   4.225  12.498
  292    H    ILE  36           H        ILE  36   6.105   1.852   6.594
  293    HA   ILE  36           HA       ILE  36   3.677   1.569   5.026
  294    HB   ILE  36           HB       ILE  36   5.668  -0.534   4.910
  295   1HG1  ILE  36          1HG1      ILE  36   6.681   2.126   4.662
  296   2HG1  ILE  36          2HG1      ILE  36   7.424   0.613   4.040
  297   1HG2  ILE  36          3HG2      ILE  36   3.577  -0.588   3.607
  298   2HG2  ILE  36          1HG2      ILE  36   4.148   0.825   2.765
  299   3HG2  ILE  36          2HG2      ILE  36   5.058  -0.729   2.686
  300   1HD1  ILE  36           HD3      ILE  36   5.859   1.224   1.970
  301   2HD1  ILE  36           HD1      ILE  36   6.187   2.822   2.703
  302   3HD1  ILE  36           HD2      ILE  36   7.466   1.769   2.081
  303    H    GLU  37           H        GLU  37   2.069   0.120   5.766
  304    HA   GLU  37           HA       GLU  37   2.834  -2.037   7.537
  305   1HB   GLU  37           HB1      GLU  37   1.118   0.219   8.596
  306   2HB   GLU  37           HB2      GLU  37   0.686  -1.445   9.041
  307   1HG   GLU  37           HG1      GLU  37   3.588  -0.577   9.456
  308   2HG   GLU  37           HG2      GLU  37   2.331   0.010  10.566
  309    H    ALA  38           H        ALA  38   1.003  -3.642   7.729
  310    HA   ALA  38           HA       ALA  38  -0.317  -3.764   5.136
  311   1HB   ALA  38           HB1      ALA  38   1.347  -5.633   6.690
  312   2HB   ALA  38           HB2      ALA  38  -0.035  -6.363   5.879
  313   3HB   ALA  38           HB3      ALA  38   1.165  -5.480   4.927
  314    H    PHE  39           H        PHE  39  -2.532  -4.490   5.113
  315    HA   PHE  39           HA       PHE  39  -3.909  -4.607   7.688
  316   1HB   PHE  39           HB1      PHE  39  -3.955  -2.284   5.717
  317   2HB   PHE  39           HB2      PHE  39  -5.369  -2.664   6.730
  318    HD1  PHE  39           HD2      PHE  39  -1.758  -1.871   6.734
  319    HD2  PHE  39           HD1      PHE  39  -5.512  -1.532   8.828
  320    HE1  PHE  39           HE2      PHE  39  -0.744  -0.337   8.455
  321    HE2  PHE  39           HE1      PHE  39  -4.334  -0.533  10.767
  322    HZ   PHE  39           HZ       PHE  39  -1.833  -0.186  10.683
  323    HA   PRO  40           HA       PRO  40  -6.569  -6.878   4.901
  324   1HB   PRO  40           HB1      PRO  40  -8.270  -7.996   6.883
  325   2HB   PRO  40           HB2      PRO  40  -6.696  -8.634   6.372
  326   1HG   PRO  40           HG1      PRO  40  -7.379  -7.288   8.932
  327   2HG   PRO  40           HG2      PRO  40  -5.795  -7.901   8.462
  328   1HD   PRO  40           HD2      PRO  40  -7.025  -5.101   8.132
  329   2HD   PRO  40           HD1      PRO  40  -5.331  -5.527   8.538
  330    H    GLU  41           H        GLU  41  -7.276  -5.020   3.944
  331    HA   GLU  41           HA       GLU  41  -8.203  -2.953   3.921
  332   1HB   GLU  41           HB1      GLU  41 -10.236  -3.001   2.719
  333   2HB   GLU  41           HB2      GLU  41  -9.313  -4.444   2.264
  334   1HG   GLU  41           HG1      GLU  41 -10.767  -5.920   3.390
  335   2HG   GLU  41           HG2      GLU  41 -11.422  -4.609   4.443
  336    H    THR  42           H        THR  42 -10.432  -4.899   6.007
  337    HA   THR  42           HA       THR  42 -12.087  -3.779   7.383
  338    HB   THR  42           HB       THR  42 -11.736  -4.949   9.138
  339    HG1  THR  42           HG1      THR  42  -9.888  -4.676  10.613
  340   1HG2  THR  42          3HG2      THR  42  -9.861  -6.012   7.391
  341   2HG2  THR  42          1HG2      THR  42  -9.247  -6.162   9.026
  342   3HG2  THR  42          2HG2      THR  42 -10.832  -6.805   8.654
  343    H    LEU  43           H        LEU  43  -8.800  -2.253   7.452
  344    HA   LEU  43           HA       LEU  43  -9.582  -0.347   9.514
  345   1HB   LEU  43           HB1      LEU  43  -7.355  -2.357   9.226
  346   2HB   LEU  43           HB2      LEU  43  -6.873  -0.760   9.862
  347    HG   LEU  43           HG       LEU  43  -7.674  -1.110  11.871
  348   1HD1  LEU  43          2HD1      LEU  43 -10.151  -2.372  10.849
  349   2HD1  LEU  43          3HD1      LEU  43  -9.560  -2.712  12.453
  350   3HD1  LEU  43          1HD1      LEU  43  -9.781  -1.025  11.926
  351   1HD2  LEU  43          3HD2      LEU  43  -6.358  -3.358  10.945
  352   2HD2  LEU  43          1HD2      LEU  43  -6.801  -3.033  12.620
  353   3HD2  LEU  43          2HD2      LEU  43  -7.829  -4.046  11.557
  354    H    ALA  44           H        ALA  44  -9.219  -0.309   6.398
  355    HA   ALA  44           HA       ALA  44  -6.943   1.305   6.008
  356   1HB   ALA  44           HB2      ALA  44  -8.401  -0.201   4.224
  357   2HB   ALA  44           HB3      ALA  44  -9.276   1.319   4.024
  358   3HB   ALA  44           HB1      ALA  44  -7.544   1.202   3.664
  359    H    GLY  45           H        GLY  45 -10.450   1.780   6.282
  360   1HA   GLY  45           HA1      GLY  45 -11.086   4.368   6.223
  361   2HA   GLY  45           HA2      GLY  45 -11.451   3.373   7.666
  362    H    GLU  46           H        GLU  46  -9.261   3.028   9.071
  363    HA   GLU  46           HA       GLU  46  -8.855   5.652  10.160
  364   1HB   GLU  46           HB1      GLU  46  -7.745   2.986  11.066
  365   2HB   GLU  46           HB2      GLU  46  -7.746   4.515  11.967
  366   1HG   GLU  46           HG1      GLU  46  -9.650   3.766  12.884
  367   2HG   GLU  46           HG2      GLU  46 -10.422   4.188  11.297
  368    H    LYS  47           H        LYS  47  -6.843   3.194   8.389
  369    HA   LYS  47           HA       LYS  47  -4.353   4.521   9.119
  370   1HB   LYS  47           HB1      LYS  47  -4.867   1.921   7.690
  371   2HB   LYS  47           HB2      LYS  47  -3.257   2.613   8.036
  372   1HG   LYS  47           HG1      LYS  47  -4.954   1.140   9.833
  373   2HG   LYS  47           HG2      LYS  47  -3.263   1.598  10.035
  374   1HD   LYS  47           HD1      LYS  47  -3.959   3.799  10.927
  375   2HD   LYS  47           HD2      LYS  47  -5.685   3.309  10.771
  376   1HE   LYS  47           HE1      LYS  47  -3.750   1.483  12.241
  377   2HE   LYS  47           HE2      LYS  47  -4.379   2.903  13.090
  378   1HZ   LYS  47           HZ1      LYS  47  -6.620   2.164  12.397
  379   2HZ   LYS  47           HZ2      LYS  47  -5.898   0.704  11.848
  380   3HZ   LYS  47           HZ3      LYS  47  -5.833   1.120  13.506
  381    H    GLY  48           H        GLY  48  -5.931   3.207   6.114
  382   1HA   GLY  48           HA1      GLY  48  -4.971   4.604   4.065
  383   2HA   GLY  48           HA2      GLY  48  -6.723   4.343   4.334
  384    H    GLN  49           H        GLN  49  -7.700   6.065   6.012
  385    HA   GLN  49           HA       GLN  49  -7.458   8.663   5.090
  386   1HB   GLN  49           HB1      GLN  49  -9.387   8.497   6.317
  387   2HB   GLN  49           HB2      GLN  49  -8.729   7.209   7.347
  388   1HG   GLN  49           HG1      GLN  49  -7.688   9.972   7.822
  389   2HG   GLN  49           HG2      GLN  49  -9.403   9.682   8.200
  390   1HE2  GLN  49          1HE2      GLN  49  -8.698   7.678  11.071
  391   2HE2  GLN  49          2HE2      GLN  49  -9.940   7.976   9.834
  392    H    ASN  50           H        ASN  50  -5.444   6.866   7.415
  393    HA   ASN  50           HA       ASN  50  -4.033   9.270   8.283
  394   1HB   ASN  50           HB1      ASN  50  -4.532   6.667   9.420
  395   2HB   ASN  50           HB2      ASN  50  -2.794   7.089   9.490
  396   1HD2  ASN  50          1HD2      ASN  50  -3.728  10.134  11.469
  397   2HD2  ASN  50          2HD2      ASN  50  -2.560   9.685  10.181
  398    H    ALA  51           H        ALA  51  -4.042   7.521   5.566
  399    HA   ALA  51           HA       ALA  51  -1.191   7.044   5.215
  400   1HB   ALA  51           HB1      ALA  51  -2.843   5.566   4.120
  401   2HB   ALA  51           HB2      ALA  51  -3.413   6.931   3.152
  402   3HB   ALA  51           HB3      ALA  51  -1.767   6.354   2.948
  403    H    ASP  52           H        ASP  52   0.140   8.133   3.663
  404    HA   ASP  52           HA       ASP  52  -0.795  10.528   2.337
  405   1HB   ASP  52           HB1      ASP  52   1.793   9.180   2.797
  406   2HB   ASP  52           HB2      ASP  52   1.619   9.783   1.131
  407    H    VAL  53           H        VAL  53   0.601   7.304   1.540
  408    HA   VAL  53           HA       VAL  53  -1.249   7.107  -0.779
  409    HB   VAL  53           HB       VAL  53   1.400   7.425  -1.074
  410   1HG1  VAL  53          1HG1      VAL  53   1.124   4.518  -1.034
  411   2HG1  VAL  53          2HG1      VAL  53   2.238   5.297  -2.172
  412   3HG1  VAL  53          3HG1      VAL  53   2.439   5.513  -0.441
  413   1HG2  VAL  53          2HG2      VAL  53  -0.847   6.308  -2.788
  414   2HG2  VAL  53          3HG2      VAL  53   0.077   7.799  -2.986
  415   3HG2  VAL  53          1HG2      VAL  53   0.789   6.216  -3.384
  416    H    VAL  54           H        VAL  54  -1.826   4.874  -1.369
  417    HA   VAL  54           HA       VAL  54  -1.887   2.954   0.860
  418    HB   VAL  54           HB       VAL  54  -4.315   4.368  -0.122
  419   1HG1  VAL  54          2HG1      VAL  54  -4.346   1.676   1.154
  420   2HG1  VAL  54          3HG1      VAL  54  -5.746   2.678   0.977
  421   3HG1  VAL  54          1HG1      VAL  54  -4.890   2.194  -0.469
  422   1HG2  VAL  54          1HG2      VAL  54  -2.809   4.977   1.933
  423   2HG2  VAL  54          2HG2      VAL  54  -4.540   4.959   2.195
  424   3HG2  VAL  54          3HG2      VAL  54  -3.512   3.586   2.707
  425    H    LEU  55           H        LEU  55  -1.967   0.809   0.129
  426    HA   LEU  55           HA       LEU  55  -3.088   0.247  -2.588
  427   1HB   LEU  55           HB1      LEU  55  -0.970  -1.446  -1.056
  428   2HB   LEU  55           HB2      LEU  55  -1.572  -1.613  -2.706
  429    HG   LEU  55           HG       LEU  55   0.771  -0.706  -2.218
  430   1HD1  LEU  55          1HD1      LEU  55  -0.889  -0.895  -4.307
  431   2HD1  LEU  55          2HD1      LEU  55  -0.348   0.758  -4.481
  432   3HD1  LEU  55          3HD1      LEU  55   0.853  -0.559  -4.365
  433   1HD2  LEU  55          1HD2      LEU  55  -0.384   1.409  -1.001
  434   2HD2  LEU  55          2HD2      LEU  55   1.159   1.509  -1.832
  435   3HD2  LEU  55          3HD2      LEU  55  -0.280   2.021  -2.674
  436    H    LEU  56           H        LEU  56  -4.347  -1.583  -2.836
  437    HA   LEU  56           HA       LEU  56  -4.944  -3.219  -0.417
  438   1HB   LEU  56           HB1      LEU  56  -6.627  -2.051  -2.628
  439   2HB   LEU  56           HB2      LEU  56  -6.859  -3.823  -2.538
  440    HG   LEU  56           HG       LEU  56  -8.460  -2.566  -1.518
  441   1HD1  LEU  56          1HD1      LEU  56  -7.633  -4.718  -0.394
  442   2HD1  LEU  56          2HD1      LEU  56  -7.287  -3.709   1.001
  443   3HD1  LEU  56          3HD1      LEU  56  -8.906  -3.698   0.389
  444   1HD2  LEU  56          2HD2      LEU  56  -6.160  -1.141  -0.379
  445   2HD2  LEU  56          3HD2      LEU  56  -7.701  -0.464  -0.922
  446   3HD2  LEU  56          1HD2      LEU  56  -7.629  -1.181   0.658
  447    H    GLY  57           H        GLY  57  -5.364  -5.631  -1.149
  448   1HA   GLY  57           HA1      GLY  57  -3.269  -6.652  -2.750
  449   2HA   GLY  57           HA2      GLY  57  -4.590  -7.604  -1.971
  450    HA   PRO  58           HA       PRO  58  -4.912  -6.751  -6.728
  451   1HB   PRO  58           HB1      PRO  58  -4.110  -9.665  -7.115
  452   2HB   PRO  58           HB2      PRO  58  -3.710  -8.277  -8.088
  453   1HG   PRO  58           HG1      PRO  58  -1.965  -9.380  -6.167
  454   2HG   PRO  58           HG2      PRO  58  -1.849  -7.700  -6.725
  455   1HD   PRO  58           HD2      PRO  58  -2.939  -8.881  -4.128
  456   2HD   PRO  58           HD1      PRO  58  -2.354  -7.185  -4.391
  457    H    GLN  59           H        GLN  59  -5.942  -9.310  -4.688
  458    HA   GLN  59           HA       GLN  59  -8.130 -10.137  -6.483
  459   1HB   GLN  59           HB1      GLN  59  -7.290 -11.882  -4.203
  460   2HB   GLN  59           HB2      GLN  59  -7.849 -12.264  -5.805
  461   1HG   GLN  59           HG1      GLN  59  -5.859 -11.858  -6.850
  462   2HG   GLN  59           HG2      GLN  59  -5.112 -11.026  -5.493
  463   1HE2  GLN  59          1HE2      GLN  59  -3.457 -13.857  -4.468
  464   2HE2  GLN  59          2HE2      GLN  59  -3.725 -12.171  -4.123
  465    H    ILE  60           H        ILE  60  -7.507  -8.279  -3.674
  466    HA   ILE  60           HA       ILE  60 -10.278  -8.453  -2.794
  467    HB   ILE  60           HB       ILE  60  -8.816  -8.977  -1.106
  468   1HG1  ILE  60          1HG1      ILE  60 -10.688  -6.674  -0.953
  469   2HG1  ILE  60          2HG1      ILE  60 -10.517  -8.115   0.067
  470   1HG2  ILE  60          3HG2      ILE  60  -7.015  -7.020  -2.137
  471   2HG2  ILE  60          1HG2      ILE  60  -7.263  -6.862  -0.387
  472   3HG2  ILE  60          2HG2      ILE  60  -6.843  -8.400  -1.096
  473   1HD1  ILE  60           HD2      ILE  60  -8.457  -6.242   0.946
  474   2HD1  ILE  60           HD3      ILE  60  -9.940  -5.406   0.749
  475   3HD1  ILE  60           HD1      ILE  60  -9.927  -6.934   1.692
  476    H    ALA  61           H        ALA  61  -8.497  -7.133  -5.110
  477    HA   ALA  61           HA       ALA  61  -8.903  -4.729  -5.843
  478   1HB   ALA  61           HB3      ALA  61 -10.272  -7.125  -7.172
  479   2HB   ALA  61           HB1      ALA  61 -10.142  -5.519  -7.920
  480   3HB   ALA  61           HB2      ALA  61  -8.674  -6.386  -7.545
  481    H    TYR  62           H        TYR  62 -11.827  -6.846  -5.307
  482    HA   TYR  62           HA       TYR  62 -13.781  -5.318  -6.431
  483   1HB   TYR  62           HB1      TYR  62 -15.349  -6.699  -5.200
  484   2HB   TYR  62           HB2      TYR  62 -13.977  -7.713  -5.652
  485    HD1  TYR  62           HD1      TYR  62 -11.995  -6.882  -3.450
  486    HD2  TYR  62           HD2      TYR  62 -16.251  -7.271  -3.253
  487    HE1  TYR  62           HE1      TYR  62 -11.727  -8.318  -1.405
  488    HE2  TYR  62           HE2      TYR  62 -16.008  -8.027  -0.846
  489    HH   TYR  62           HH       TYR  62 -14.639  -8.831   0.664
  490    H    MET  63           H        MET  63 -12.103  -4.982  -3.374
  491    HA   MET  63           HA       MET  63 -14.164  -3.717  -1.840
  492   1HB   MET  63           HB1      MET  63 -11.363  -4.663  -1.404
  493   2HB   MET  63           HB2      MET  63 -11.974  -3.392  -0.309
  494   1HG   MET  63           HG1      MET  63 -13.484  -5.911  -1.063
  495   2HG   MET  63           HG2      MET  63 -12.554  -5.748   0.434
  496   1HE   MET  63           HE1      MET  63 -14.744  -6.796   0.788
  497   2HE   MET  63           HE2      MET  63 -15.726  -5.979   2.006
  498   3HE   MET  63           HE3      MET  63 -16.329  -6.142   0.363
  499    H    LEU  64           H        LEU  64 -12.300  -2.568  -4.365
  500    HA   LEU  64           HA       LEU  64 -10.913  -0.320  -3.381
  501   1HB   LEU  64           HB1      LEU  64 -10.413  -1.603  -5.505
  502   2HB   LEU  64           HB2      LEU  64 -12.010  -1.181  -6.178
  503    HG   LEU  64           HG       LEU  64 -10.202  -0.063  -7.317
  504   1HD1  LEU  64          3HD1      LEU  64 -12.345   1.588  -6.236
  505   2HD1  LEU  64          1HD1      LEU  64 -11.068   2.229  -7.280
  506   3HD1  LEU  64          2HD1      LEU  64 -12.133   0.937  -7.834
  507   1HD2  LEU  64          2HD2      LEU  64  -9.270   0.661  -4.680
  508   2HD2  LEU  64          3HD2      LEU  64  -8.493   0.952  -6.219
  509   3HD2  LEU  64          1HD2      LEU  64  -9.627   2.138  -5.658
  510    HA   PRO  65           HA       PRO  65 -14.670   2.054  -5.232
  511   1HB   PRO  65           HB1      PRO  65 -17.119   0.371  -4.907
  512   2HB   PRO  65           HB2      PRO  65 -16.509   1.259  -6.309
  513   1HG   PRO  65           HG1      PRO  65 -16.277  -1.520  -6.158
  514   2HG   PRO  65           HG2      PRO  65 -15.017  -0.548  -6.965
  515   1HD   PRO  65           HD2      PRO  65 -14.957  -1.622  -4.105
  516   2HD   PRO  65           HD1      PRO  65 -13.656  -1.593  -5.326
  517    H    GLU  66           H        GLU  66 -15.105   0.254  -2.355
  518    HA   GLU  66           HA       GLU  66 -16.592   2.416  -1.069
  519   1HB   GLU  66           HB1      GLU  66 -17.300   0.847   0.397
  520   2HB   GLU  66           HB2      GLU  66 -16.492  -0.382  -0.613
  521   1HG   GLU  66           HG1      GLU  66 -14.529  -0.335   0.834
  522   2HG   GLU  66           HG2      GLU  66 -15.161   1.071   1.720
  523    H    ILE  67           H        ILE  67 -13.319   0.798  -0.878
  524    HA   ILE  67           HA       ILE  67 -11.901   2.254   0.884
  525    HB   ILE  67           HB       ILE  67 -10.903   1.408  -1.792
  526   1HG1  ILE  67          1HG1      ILE  67 -12.016  -0.145   0.420
  527   2HG1  ILE  67          2HG1      ILE  67 -11.331  -0.760  -1.080
  528   1HG2  ILE  67          2HG2      ILE  67  -9.547   3.011  -0.627
  529   2HG2  ILE  67          3HG2      ILE  67  -9.177   1.879   0.623
  530   3HG2  ILE  67          1HG2      ILE  67  -8.815   1.419  -1.035
  531   1HD1  ILE  67           HD2      ILE  67  -9.203  -0.109   0.845
  532   2HD1  ILE  67           HD3      ILE  67 -10.456  -0.989   1.687
  533   3HD1  ILE  67           HD1      ILE  67  -9.827  -1.700   0.223
  534    H    GLN  68           H        GLN  68 -13.094   3.077  -2.358
  535    HA   GLN  68           HA       GLN  68 -11.566   5.566  -2.487
  536   1HB   GLN  68           HB1      GLN  68 -12.755   3.636  -4.529
  537   2HB   GLN  68           HB2      GLN  68 -12.646   5.369  -4.962
  538   1HG   GLN  68           HG1      GLN  68 -10.193   3.882  -3.958
  539   2HG   GLN  68           HG2      GLN  68 -10.715   3.747  -5.637
  540   1HE2  GLN  68          1HE2      GLN  68  -8.841   7.082  -4.345
  541   2HE2  GLN  68          2HE2      GLN  68  -9.285   5.871  -3.143
  542    H    ARG  69           H        ARG  69 -14.769   4.253  -1.928
  543    HA   ARG  69           HA       ARG  69 -16.079   6.842  -2.381
  544   1HB   ARG  69           HB1      ARG  69 -17.033   4.044  -2.074
  545   2HB   ARG  69           HB2      ARG  69 -17.942   5.192  -1.089
  546   1HG   ARG  69           HG1      ARG  69 -19.016   6.018  -2.905
  547   2HG   ARG  69           HG2      ARG  69 -17.484   6.263  -3.802
  548   1HD   ARG  69           HD1      ARG  69 -18.605   4.673  -5.155
  549   2HD   ARG  69           HD2      ARG  69 -17.541   3.657  -4.156
  550    HE   ARG  69           HE       ARG  69 -19.406   2.741  -3.209
  551   1HH1  ARG  69          2HH1      ARG  69 -20.419   5.643  -4.656
  552   2HH1  ARG  69          1HH1      ARG  69 -22.213   5.368  -4.096
  553   1HH2  ARG  69          2HH2      ARG  69 -21.451   2.376  -2.949
  554   2HH2  ARG  69          1HH2      ARG  69 -22.698   3.832  -3.090
  555    H    LEU  70           H        LEU  70 -13.940   5.729  -0.239
  556    HA   LEU  70           HA       LEU  70 -15.132   6.844   2.263
  557   1HB   LEU  70           HB1      LEU  70 -15.214   4.293   2.204
  558   2HB   LEU  70           HB2      LEU  70 -13.450   4.307   1.972
  559    HG   LEU  70           HG       LEU  70 -14.463   5.731   4.306
  560   1HD1  LEU  70          3HD1      LEU  70 -15.548   3.285   4.182
  561   2HD1  LEU  70          1HD1      LEU  70 -14.054   3.032   5.063
  562   3HD1  LEU  70          2HD1      LEU  70 -15.247   4.167   5.687
  563   1HD2  LEU  70          3HD2      LEU  70 -12.000   4.819   3.144
  564   2HD2  LEU  70          1HD2      LEU  70 -12.256   5.887   4.486
  565   3HD2  LEU  70          2HD2      LEU  70 -12.179   4.078   4.724
  566    H    LEU  71           H        LEU  71 -11.855   5.473   1.232
  567    HA   LEU  71           HA       LEU  71 -10.680   8.079   1.384
  568   1HB   LEU  71           HB1      LEU  71 -10.035   5.213   0.465
  569   2HB   LEU  71           HB2      LEU  71  -8.781   6.468   0.377
  570    HG   LEU  71           HG       LEU  71  -8.320   6.232   2.660
  571   1HD1  LEU  71          1HD1      LEU  71 -11.043   6.424   3.027
  572   2HD1  LEU  71          2HD1      LEU  71 -10.208   5.527   4.284
  573   3HD1  LEU  71          3HD1      LEU  71  -9.637   7.128   3.919
  574   1HD2  LEU  71          2HD2      LEU  71  -8.878   3.791   1.425
  575   2HD2  LEU  71          3HD2      LEU  71  -8.013   3.983   2.951
  576   3HD2  LEU  71          1HD2      LEU  71  -9.767   3.747   2.947
  577    HA   PRO  72           HA       PRO  72 -12.038   8.200  -3.016
  578   1HB   PRO  72           HB1      PRO  72 -13.018  10.738  -3.161
  579   2HB   PRO  72           HB2      PRO  72 -13.900   9.382  -2.398
  580   1HG   PRO  72           HG1      PRO  72 -12.193  11.571  -0.971
  581   2HG   PRO  72           HG2      PRO  72 -13.826  11.005  -0.634
  582   1HD   PRO  72           HD2      PRO  72 -11.600   9.805   0.662
  583   2HD   PRO  72           HD1      PRO  72 -13.130   8.921   0.337
  584    H    ASN  73           H        ASN  73 -11.317  11.540  -3.141
  585    HA   ASN  73           HA       ASN  73  -9.465  12.077  -4.785
  586   1HB   ASN  73           HB1      ASN  73 -10.206  13.702  -3.257
  587   2HB   ASN  73           HB2      ASN  73  -9.376  12.923  -1.885
  588   1HD2  ASN  73          1HD2      ASN  73  -6.910  15.386  -2.390
  589   2HD2  ASN  73          2HD2      ASN  73  -8.316  14.969  -1.389
  590    H    LYS  74           H        LYS  74  -8.644  10.305  -1.692
  591    HA   LYS  74           HA       LYS  74  -5.953  10.563  -1.610
  592   1HB   LYS  74           HB1      LYS  74  -7.609   8.192  -0.859
  593   2HB   LYS  74           HB2      LYS  74  -5.896   8.389  -0.377
  594   1HG   LYS  74           HG1      LYS  74  -7.941  10.571   0.292
  595   2HG   LYS  74           HG2      LYS  74  -7.733   9.153   1.343
  596   1HD   LYS  74           HD1      LYS  74  -5.190  10.501   0.618
  597   2HD   LYS  74           HD2      LYS  74  -6.360  11.529   1.499
  598   1HE   LYS  74           HE1      LYS  74  -5.878  10.383   3.418
  599   2HE   LYS  74           HE2      LYS  74  -6.349   8.830   2.700
  600   1HZ   LYS  74           HZ1      LYS  74  -4.147   8.748   1.667
  601   2HZ   LYS  74           HZ2      LYS  74  -3.697  10.087   2.569
  602   3HZ   LYS  74           HZ3      LYS  74  -4.130   8.699   3.392
  603    HA   PRO  75           HA       PRO  75  -4.398   7.905  -4.825
  604   1HB   PRO  75           HB1      PRO  75  -1.727   8.050  -4.348
  605   2HB   PRO  75           HB2      PRO  75  -2.681   9.427  -5.017
  606   1HG   PRO  75           HG1      PRO  75  -1.756   8.938  -2.122
  607   2HG   PRO  75           HG2      PRO  75  -1.782  10.449  -3.061
  608   1HD   PRO  75           HD2      PRO  75  -3.860   9.757  -1.260
  609   2HD   PRO  75           HD1      PRO  75  -4.070  10.856  -2.610
  610    H    VAL  76           H        VAL  76  -5.559   6.444  -3.060
  611    HA   VAL  76           HA       VAL  76  -4.313   4.015  -2.300
  612    HB   VAL  76           HB       VAL  76  -7.028   4.493  -3.439
  613   1HG1  VAL  76          2HG1      VAL  76  -5.830   2.041  -2.524
  614   2HG1  VAL  76          3HG1      VAL  76  -7.333   2.387  -1.682
  615   3HG1  VAL  76          1HG1      VAL  76  -7.311   2.458  -3.448
  616   1HG2  VAL  76          2HG2      VAL  76  -5.985   5.537  -0.897
  617   2HG2  VAL  76          3HG2      VAL  76  -7.588   5.652  -1.550
  618   3HG2  VAL  76          1HG2      VAL  76  -7.175   4.231  -0.590
  619    H    GLU  77           H        GLU  77  -4.100   2.053  -3.511
  620    HA   GLU  77           HA       GLU  77  -5.295   1.619  -5.988
  621   1HB   GLU  77           HB1      GLU  77  -2.971   1.280  -7.265
  622   2HB   GLU  77           HB2      GLU  77  -3.746   2.858  -7.236
  623   1HG   GLU  77           HG1      GLU  77  -2.210   2.938  -4.940
  624   2HG   GLU  77           HG2      GLU  77  -1.201   1.982  -6.047
  625    H    VAL  78           H        VAL  78  -5.518  -0.523  -6.316
  626    HA   VAL  78           HA       VAL  78  -4.437  -2.609  -4.679
  627    HB   VAL  78           HB       VAL  78  -6.536  -2.488  -6.144
  628   1HG1  VAL  78          1HG1      VAL  78  -4.923  -2.112  -8.176
  629   2HG1  VAL  78          2HG1      VAL  78  -5.257  -3.825  -8.387
  630   3HG1  VAL  78          3HG1      VAL  78  -6.583  -2.727  -8.342
  631   1HG2  VAL  78          2HG2      VAL  78  -4.783  -4.891  -5.570
  632   2HG2  VAL  78          3HG2      VAL  78  -6.469  -4.671  -5.247
  633   3HG2  VAL  78          1HG2      VAL  78  -5.949  -5.094  -6.873
  634    H    ILE  79           H        ILE  79  -2.678  -4.021  -5.090
  635    HA   ILE  79           HA       ILE  79  -0.400  -2.945  -6.408
  636    HB   ILE  79           HB       ILE  79  -0.613  -5.469  -4.884
  637   1HG1  ILE  79          1HG1      ILE  79   0.083  -2.676  -3.816
  638   2HG1  ILE  79          2HG1      ILE  79  -1.422  -3.552  -3.434
  639   1HG2  ILE  79          2HG2      ILE  79   1.746  -4.203  -5.939
  640   2HG2  ILE  79          3HG2      ILE  79   1.847  -4.842  -4.312
  641   3HG2  ILE  79          1HG2      ILE  79   1.246  -5.869  -5.637
  642   1HD1  ILE  79           HD2      ILE  79   0.727  -5.216  -2.538
  643   2HD1  ILE  79           HD3      ILE  79   1.180  -3.605  -2.166
  644   3HD1  ILE  79           HD1      ILE  79  -0.437  -4.197  -1.690
  645    H    ASP  80           H        ASP  80   0.961  -4.694  -7.661
  646    HA   ASP  80           HA       ASP  80  -0.553  -6.379  -9.505
  647   1HB   ASP  80           HB1      ASP  80   2.056  -5.028  -9.385
  648   2HB   ASP  80           HB2      ASP  80   2.273  -6.763  -9.684
  649    H    SER  81           H        SER  81   0.831  -8.590  -9.822
  650    HA   SER  81           HA       SER  81  -0.096  -9.950  -7.394
  651   1HB   SER  81           HB1      SER  81  -1.317 -10.049  -9.681
  652   2HB   SER  81           HB2      SER  81  -0.006 -11.180 -10.143
  653    HG   SER  81           HG       SER  81  -1.996 -12.173  -9.277
  654    H    LEU  82           H        LEU  82   2.334  -9.695  -9.952
  655    HA   LEU  82           HA       LEU  82   4.152 -11.713  -9.059
  656   1HB   LEU  82           HB1      LEU  82   3.984  -9.316 -11.017
  657   2HB   LEU  82           HB2      LEU  82   5.557 -10.017 -10.730
  658    HG   LEU  82           HG       LEU  82   3.910 -10.705 -12.743
  659   1HD1  LEU  82          3HD1      LEU  82   6.137 -12.269 -11.655
  660   2HD1  LEU  82          1HD1      LEU  82   5.141 -12.739 -13.101
  661   3HD1  LEU  82          2HD1      LEU  82   6.095 -11.281 -13.096
  662   1HD2  LEU  82          2HD2      LEU  82   3.405 -12.784 -10.591
  663   2HD2  LEU  82          3HD2      LEU  82   2.171 -11.750 -11.322
  664   3HD2  LEU  82          1HD2      LEU  82   3.016 -12.901 -12.337
  665    H    LEU  83           H        LEU  83   4.296  -8.045  -9.149
  666    HA   LEU  83           HA       LEU  83   6.544  -7.600  -7.607
  667   1HB   LEU  83           HB1      LEU  83   3.853  -6.181  -8.115
  668   2HB   LEU  83           HB2      LEU  83   5.032  -5.380  -7.067
  669    HG   LEU  83           HG       LEU  83   5.197  -5.856 -10.004
  670   1HD1  LEU  83          2HD1      LEU  83   3.916  -3.829  -8.915
  671   2HD1  LEU  83          3HD1      LEU  83   5.568  -3.218  -8.884
  672   3HD1  LEU  83          1HD1      LEU  83   4.829  -3.807 -10.404
  673   1HD2  LEU  83          1HD2      LEU  83   7.414  -6.035  -8.320
  674   2HD2  LEU  83          2HD2      LEU  83   7.493  -5.469 -10.009
  675   3HD2  LEU  83          3HD2      LEU  83   7.411  -4.315  -8.685
  676    H    TYR  84           H        TYR  84   3.077  -7.828  -6.638
  677    HA   TYR  84           HA       TYR  84   3.075  -7.722  -3.863
  678   1HB   TYR  84           HB1      TYR  84   1.150  -7.995  -5.512
  679   2HB   TYR  84           HB2      TYR  84   1.502  -9.746  -5.492
  680    HD1  TYR  84           HD1      TYR  84   1.393  -7.132  -2.750
  681    HD2  TYR  84           HD2      TYR  84  -0.209 -10.768  -4.456
  682    HE1  TYR  84           HE1      TYR  84  -0.084  -7.441  -0.720
  683    HE2  TYR  84           HE2      TYR  84  -1.678 -11.058  -2.413
  684    HH   TYR  84           HH       TYR  84  -1.662 -10.705  -0.242
  685    H    GLY  85           H        GLY  85   2.974 -10.943  -5.535
  686   1HA   GLY  85           HA1      GLY  85   3.687 -12.270  -3.076
  687   2HA   GLY  85           HA2      GLY  85   3.259 -12.983  -4.651
  688    H    LYS  86           H        LYS  86   5.594 -10.843  -5.496
  689    HA   LYS  86           HA       LYS  86   7.854 -12.601  -4.833
  690   1HB   LYS  86           HB1      LYS  86   7.862 -10.425  -6.929
  691   2HB   LYS  86           HB2      LYS  86   9.001 -11.768  -6.703
  692   1HG   LYS  86           HG1      LYS  86   7.072 -13.394  -7.206
  693   2HG   LYS  86           HG2      LYS  86   6.030 -11.993  -7.458
  694   1HD   LYS  86           HD1      LYS  86   6.635 -11.747  -9.564
  695   2HD   LYS  86           HD2      LYS  86   8.392 -11.868  -9.190
  696   1HE   LYS  86           HE1      LYS  86   7.299 -14.477  -8.739
  697   2HE   LYS  86           HE2      LYS  86   6.593 -13.905 -10.263
  698   1HZ   LYS  86           HZ1      LYS  86   8.875 -13.262 -10.951
  699   2HZ   LYS  86           HZ2      LYS  86   9.459 -14.019  -9.539
  700   3HZ   LYS  86           HZ3      LYS  86   8.654 -14.962 -10.723
  701    H    VAL  87           H        VAL  87   6.288  -9.903  -3.683
  702    HA   VAL  87           HA       VAL  87   6.734  -8.552  -2.002
  703    HB   VAL  87           HB       VAL  87   7.568 -11.153  -1.587
  704   1HG1  VAL  87          1HG1      VAL  87   9.960  -9.813  -1.334
  705   2HG1  VAL  87          2HG1      VAL  87   9.490 -10.374   0.282
  706   3HG1  VAL  87          3HG1      VAL  87   9.601 -11.511  -1.038
  707   1HG2  VAL  87          2HG2      VAL  87   6.930  -8.938   0.424
  708   2HG2  VAL  87          3HG2      VAL  87   5.912 -10.171  -0.267
  709   3HG2  VAL  87          1HG2      VAL  87   7.249 -10.652   0.804
  710    H    ASP  88           H        ASP  88   7.531  -7.112  -3.794
  711    HA   ASP  88           HA       ASP  88  10.400  -6.605  -4.075
  712   1HB   ASP  88           HB1      ASP  88   8.008  -6.149  -5.789
  713   2HB   ASP  88           HB2      ASP  88   9.518  -5.220  -6.060
  714    H    GLY  89           H        GLY  89   9.558  -5.514  -1.636
  715   1HA   GLY  89           HA1      GLY  89   8.728  -3.299  -0.990
  716   2HA   GLY  89           HA2      GLY  89  10.469  -3.532  -0.707
  717    H    LEU  90           H        LEU  90  11.855  -2.971  -2.874
  718    HA   LEU  90           HA       LEU  90  11.490  -0.157  -3.104
  719   1HB   LEU  90           HB1      LEU  90  13.711  -0.319  -4.277
  720   2HB   LEU  90           HB2      LEU  90  13.709  -1.629  -3.077
  721    HG   LEU  90           HG       LEU  90  14.083  -1.705  -5.927
  722   1HD1  LEU  90          2HD1      LEU  90  14.961  -3.650  -3.820
  723   2HD1  LEU  90          3HD1      LEU  90  15.219  -3.709  -5.533
  724   3HD1  LEU  90          1HD1      LEU  90  15.767  -2.300  -4.597
  725   1HD2  LEU  90          1HD2      LEU  90  12.079  -3.685  -4.753
  726   2HD2  LEU  90          2HD2      LEU  90  11.906  -2.693  -6.225
  727   3HD2  LEU  90          3HD2      LEU  90  13.027  -4.073  -6.165
  728    H    GLY  91           H        GLY  91  10.338  -2.883  -5.045
  729   1HA   GLY  91           HA1      GLY  91   9.516  -1.262  -7.253
  730   2HA   GLY  91           HA2      GLY  91   9.055  -2.964  -6.833
  731    H    VAL  92           H        VAL  92   8.258  -2.126  -4.082
  732    HA   VAL  92           HA       VAL  92   5.515  -1.556  -4.682
  733    HB   VAL  92           HB       VAL  92   6.758  -2.371  -2.090
  734   1HG1  VAL  92          3HG1      VAL  92   4.502  -1.077  -2.055
  735   2HG1  VAL  92          1HG1      VAL  92   3.974  -2.695  -2.564
  736   3HG1  VAL  92          2HG1      VAL  92   4.858  -2.463  -1.051
  737   1HG2  VAL  92          2HG2      VAL  92   5.723  -3.822  -4.495
  738   2HG2  VAL  92          3HG2      VAL  92   6.914  -4.361  -3.334
  739   3HG2  VAL  92          1HG2      VAL  92   5.174  -4.364  -2.905
  740    H    LEU  93           H        LEU  93   8.139  -0.220  -2.595
  741    HA   LEU  93           HA       LEU  93   7.275   2.264  -1.933
  742   1HB   LEU  93           HB1      LEU  93   9.764   0.772  -2.310
  743   2HB   LEU  93           HB2      LEU  93  10.034   2.374  -3.033
  744    HG   LEU  93           HG       LEU  93  10.065   1.477  -0.276
  745   1HD1  LEU  93          3HD1      LEU  93  11.978   2.230  -1.295
  746   2HD1  LEU  93          1HD1      LEU  93  11.224   3.840  -1.589
  747   3HD1  LEU  93          2HD1      LEU  93  11.581   3.282   0.051
  748   1HD2  LEU  93          1HD2      LEU  93   8.390   3.863  -1.155
  749   2HD2  LEU  93          2HD2      LEU  93   7.929   2.626   0.007
  750   3HD2  LEU  93          3HD2      LEU  93   9.110   3.875   0.460
  751    H    LYS  94           H        LYS  94   9.534   1.955  -4.826
  752    HA   LYS  94           HA       LYS  94   9.186   4.449  -5.778
  753   1HB   LYS  94           HB1      LYS  94  10.176   1.934  -6.949
  754   2HB   LYS  94           HB2      LYS  94   9.679   3.145  -8.136
  755   1HG   LYS  94           HG1      LYS  94  11.057   4.866  -6.781
  756   2HG   LYS  94           HG2      LYS  94  11.788   3.474  -5.961
  757   1HD   LYS  94           HD1      LYS  94  13.275   4.105  -7.737
  758   2HD   LYS  94           HD2      LYS  94  12.543   2.556  -8.169
  759   1HE   LYS  94           HE1      LYS  94  11.288   3.439  -9.880
  760   2HE   LYS  94           HE2      LYS  94  10.973   4.973  -9.036
  761   1HZ   LYS  94           HZ1      LYS  94  13.294   5.609  -9.472
  762   2HZ   LYS  94           HZ2      LYS  94  13.467   4.231 -10.431
  763   3HZ   LYS  94           HZ3      LYS  94  12.341   5.413 -10.885
  764    H    ALA  95           H        ALA  95   7.092   1.663  -6.325
  765    HA   ALA  95           HA       ALA  95   5.550   2.556  -8.523
  766   1HB   ALA  95           HB1      ALA  95   5.592   0.404  -6.559
  767   2HB   ALA  95           HB2      ALA  95   3.941   0.910  -6.914
  768   3HB   ALA  95           HB3      ALA  95   5.028   0.369  -8.231
  769    H    ALA  96           H        ALA  96   5.004   2.594  -4.952
  770    HA   ALA  96           HA       ALA  96   2.508   3.743  -4.798
  771   1HB   ALA  96           HB1      ALA  96   4.671   3.032  -3.020
  772   2HB   ALA  96           HB2      ALA  96   4.073   4.607  -2.535
  773   3HB   ALA  96           HB3      ALA  96   2.959   3.253  -2.650
  774    H    VAL  97           H        VAL  97   5.748   5.391  -4.719
  775    HA   VAL  97           HA       VAL  97   5.007   8.037  -4.456
  776    HB   VAL  97           HB       VAL  97   7.331   6.642  -5.718
  777   1HG1  VAL  97          2HG1      VAL  97   6.646   9.085  -6.702
  778   2HG1  VAL  97          3HG1      VAL  97   7.926   9.451  -5.587
  779   3HG1  VAL  97          1HG1      VAL  97   8.196   8.170  -6.773
  780   1HG2  VAL  97          3HG2      VAL  97   6.690   7.419  -3.046
  781   2HG2  VAL  97          1HG2      VAL  97   8.259   6.903  -3.696
  782   3HG2  VAL  97          2HG2      VAL  97   7.843   8.633  -3.594
  783    H    ALA  98           H        ALA  98   5.212   5.948  -7.411
  784    HA   ALA  98           HA       ALA  98   5.163   7.957  -9.307
  785   1HB   ALA  98           HB3      ALA  98   5.514   5.242  -9.360
  786   2HB   ALA  98           HB1      ALA  98   3.941   5.397 -10.173
  787   3HB   ALA  98           HB2      ALA  98   5.359   6.228 -10.811
  788    H    ALA  99           H        ALA  99   2.539   6.157  -7.707
  789    HA   ALA  99           HA       ALA  99   0.324   7.076  -9.110
  790   1HB   ALA  99           HB1      ALA  99   0.502   5.267  -7.256
  791   2HB   ALA  99           HB2      ALA  99   0.342   6.596  -6.107
  792   3HB   ALA  99           HB3      ALA  99  -0.957   6.242  -7.253
  793    H    ILE 100           H        ILE 100   1.514   8.207  -5.918
  794    HA   ILE 100           HA       ILE 100   0.070  10.272  -5.190
  795    HB   ILE 100           HB       ILE 100   2.701   9.377  -4.744
  796   1HG1  ILE 100          1HG1      ILE 100   1.328   9.645  -2.785
  797   2HG1  ILE 100          2HG1      ILE 100   2.625  10.873  -2.689
  798   1HG2  ILE 100          1HG2      ILE 100   2.756  12.226  -5.509
  799   2HG2  ILE 100          2HG2      ILE 100   3.852  11.571  -4.264
  800   3HG2  ILE 100          3HG2      ILE 100   3.891  10.934  -5.888
  801   1HD1  ILE 100           HD3      ILE 100   0.197  12.045  -3.843
  802   2HD1  ILE 100           HD1      ILE 100   0.008  11.279  -2.227
  803   3HD1  ILE 100           HD2      ILE 100   1.162  12.577  -2.501
  804    H    LYS 101           H        LYS 101   2.737  10.535  -7.539
  805    HA   LYS 101           HA       LYS 101   2.395  13.255  -8.171
  806   1HB   LYS 101           HB1      LYS 101   4.453  11.894  -8.612
  807   2HB   LYS 101           HB2      LYS 101   3.634  11.221 -10.040
  808   1HG   LYS 101           HG1      LYS 101   3.459  14.170  -9.840
  809   2HG   LYS 101           HG2      LYS 101   5.101  13.530 -10.130
  810   1HD   LYS 101           HD1      LYS 101   4.315  12.409 -12.159
  811   2HD   LYS 101           HD2      LYS 101   2.652  12.923 -11.783
  812   1HE   LYS 101           HE1      LYS 101   4.530  15.208 -11.773
  813   2HE   LYS 101           HE2      LYS 101   4.505  14.361 -13.356
  814   1HZ   LYS 101           HZ1      LYS 101   2.090  14.501 -13.286
  815   2HZ   LYS 101           HZ2      LYS 101   2.191  15.473 -11.900
  816   3HZ   LYS 101           HZ3      LYS 101   2.870  16.038 -13.334
  817    H    LYS 102           H        LYS 102   1.626  10.455 -10.433
  818    HA   LYS 102           HA       LYS 102   0.326  11.545 -12.429
  819   1HB   LYS 102           HB1      LYS 102  -0.156   9.018 -10.937
  820   2HB   LYS 102           HB2      LYS 102  -1.515   9.540 -11.953
  821   1HG   LYS 102           HG1      LYS 102   1.357   9.318 -12.978
  822   2HG   LYS 102           HG2      LYS 102   0.102   8.073 -13.157
  823   1HD   LYS 102           HD1      LYS 102  -1.166  10.271 -14.185
  824   2HD   LYS 102           HD2      LYS 102   0.522  10.595 -14.626
  825   1HE   LYS 102           HE1      LYS 102   0.067   7.778 -15.063
  826   2HE   LYS 102           HE2      LYS 102  -1.277   8.674 -15.862
  827   1HZ   LYS 102           HZ1      LYS 102   0.443  10.064 -16.876
  828   2HZ   LYS 102           HZ2      LYS 102   1.634   9.080 -16.200
  829   3HZ   LYS 102           HZ3      LYS 102   0.550   8.402 -17.357
  830    H    ALA 103           H        ALA 103  -1.126  11.380  -9.121
  831    HA   ALA 103           HA       ALA 103  -3.760  11.916  -9.691
  832   1HB   ALA 103           HB2      ALA 103  -1.983  12.210  -7.318
  833   2HB   ALA 103           HB3      ALA 103  -3.477  13.170  -7.277
  834   3HB   ALA 103           HB1      ALA 103  -3.567  11.437  -7.485
  835    H    ALA 104           H        ALA 104  -1.034  14.232  -9.362
  836    HA   ALA 104           HA       ALA 104  -2.312  16.397  -8.342
  837   1HB   ALA 104           HB1      ALA 104   0.213  15.986  -9.007
  838   2HB   ALA 104           HB2      ALA 104  -0.221  16.890 -10.455
  839   3HB   ALA 104           HB3      ALA 104  -0.403  17.626  -8.859
  840    H    ALA 105           H        ALA 105  -3.504  18.168  -9.044
  841    HA   ALA 105           HA       ALA 105  -3.508  19.918 -10.643
  842   1HB   ALA 105           HB3      ALA 105  -3.454  17.650 -12.531
  843   2HB   ALA 105           HB1      ALA 105  -4.428  19.061 -13.029
  844   3HB   ALA 105           HB2      ALA 105  -2.734  19.272 -12.631
  845    H    ASN 106           H        ASN 106  -5.392  21.073 -11.419
  846    HA   ASN 106           HA       ASN 106  -7.934  20.160 -10.361
  847   1HB   ASN 106           HB1      ASN 106  -7.755  22.387  -9.763
  848   2HB   ASN 106           HB2      ASN 106  -6.770  22.791 -11.204
  849   1HD2  ASN 106          1HD2      ASN 106 -10.866  23.077 -11.315
  850   2HD2  ASN 106          2HD2      ASN 106 -10.115  22.092 -10.034
   
  No H/Q in entry =         850
  Start of MODEL    7
    1    H    MET   1           H        MET   1   8.998  17.194   4.717
    2    HA   MET   1           HA       MET   1   6.609  18.637   5.360
    3   1HB   MET   1           HB1      MET   1   5.694  16.618   3.498
    4   2HB   MET   1           HB2      MET   1   5.406  18.384   3.443
    5   1HG   MET   1           HG1      MET   1   6.388  17.956   1.411
    6   2HG   MET   1           HG2      MET   1   7.810  18.435   2.349
    7   1HE   MET   1           HE3      MET   1   9.662  17.644   1.500
    8   2HE   MET   1           HE1      MET   1  10.161  15.975   1.240
    9   3HE   MET   1           HE2      MET   1   9.231  16.847  -0.019
   10    H    GLU   2           H        GLU   2   7.357  17.591   7.338
   11    HA   GLU   2           HA       GLU   2   7.966  15.832   8.717
   12   1HB   GLU   2           HB1      GLU   2   5.585  14.698   9.240
   13   2HB   GLU   2           HB2      GLU   2   6.016  16.357   9.738
   14   1HG   GLU   2           HG1      GLU   2   4.936  16.679   7.146
   15   2HG   GLU   2           HG2      GLU   2   3.935  15.384   7.879
   16    H    LYS   3           H        LYS   3   5.274  13.841   7.536
   17    HA   LYS   3           HA       LYS   3   6.711  11.801   6.238
   18   1HB   LYS   3           HB1      LYS   3   6.573  10.261   8.397
   19   2HB   LYS   3           HB2      LYS   3   8.025  11.206   8.015
   20   1HG   LYS   3           HG1      LYS   3   7.487  12.876   9.596
   21   2HG   LYS   3           HG2      LYS   3   5.769  12.430   9.632
   22   1HD   LYS   3           HD1      LYS   3   7.329  11.922  11.698
   23   2HD   LYS   3           HD2      LYS   3   6.129  10.712  11.220
   24   1HE   LYS   3           HE1      LYS   3   7.979   9.540   9.863
   25   2HE   LYS   3           HE2      LYS   3   9.137  10.719  10.498
   26   1HZ   LYS   3           HZ1      LYS   3   8.404  10.074  12.747
   27   2HZ   LYS   3           HZ2      LYS   3   7.493   8.806  12.033
   28   3HZ   LYS   3           HZ3      LYS   3   9.184   8.817  11.861
   29    H    LYS   4           H        LYS   4   5.292  10.225   5.467
   30    HA   LYS   4           HA       LYS   4   2.520  10.101   6.566
   31   1HB   LYS   4           HB1      LYS   4   3.439  10.746   3.820
   32   2HB   LYS   4           HB2      LYS   4   2.035   9.705   4.014
   33   1HG   LYS   4           HG1      LYS   4   0.805  11.434   5.137
   34   2HG   LYS   4           HG2      LYS   4   2.315  12.196   5.759
   35   1HD   LYS   4           HD1      LYS   4   2.747  13.275   3.728
   36   2HD   LYS   4           HD2      LYS   4   1.562  12.300   2.826
   37   1HE   LYS   4           HE1      LYS   4   0.419  14.396   3.217
   38   2HE   LYS   4           HE2      LYS   4  -0.183  13.357   4.548
   39   1HZ   LYS   4           HZ1      LYS   4   1.622  14.258   5.889
   40   2HZ   LYS   4           HZ2      LYS   4   1.999  15.347   4.653
   41   3HZ   LYS   4           HZ3      LYS   4   0.493  15.455   5.423
   42    H    HIS   5           H        HIS   5   1.423   8.287   5.118
   43    HA   HIS   5           HA       HIS   5   2.887   5.762   5.744
   44   1HB   HIS   5           HB1      HIS   5  -0.087   6.289   6.093
   45   2HB   HIS   5           HB2      HIS   5   0.868   4.839   6.513
   46    HD1  HIS   5           HD1      HIS   5  -0.704   7.036   8.538
   47    HD2  HIS   5           HD2      HIS   5   3.410   6.672   7.862
   48    HE1  HIS   5           HE1      HIS   5   0.571   7.734  10.742
   49    H    ILE   6           H        ILE   6   3.012   4.218   4.311
   50    HA   ILE   6           HA       ILE   6   1.314   3.990   2.005
   51    HB   ILE   6           HB       ILE   6   3.987   2.833   2.541
   52   1HG1  ILE   6          1HG1      ILE   6   3.238   4.801   0.340
   53   2HG1  ILE   6          2HG1      ILE   6   3.901   5.240   1.926
   54   1HG2  ILE   6          2HG2      ILE   6   2.808   1.101   1.535
   55   2HG2  ILE   6          3HG2      ILE   6   2.293   2.074   0.162
   56   3HG2  ILE   6          1HG2      ILE   6   4.018   1.779   0.451
   57   1HD1  ILE   6           HD3      ILE   6   5.443   3.239   0.432
   58   2HD1  ILE   6           HD1      ILE   6   5.323   4.915  -0.237
   59   3HD1  ILE   6           HD2      ILE   6   6.008   4.556   1.399
   60    H    TYR   7           H        TYR   7  -0.444   2.647   2.479
   61    HA   TYR   7           HA       TYR   7  -0.174   0.456   4.462
   62   1HB   TYR   7           HB1      TYR   7  -2.515   2.356   3.991
   63   2HB   TYR   7           HB2      TYR   7  -2.517   0.891   5.031
   64    HD1  TYR   7           HD1      TYR   7  -0.243   0.837   6.628
   65    HD2  TYR   7           HD2      TYR   7  -2.321   4.321   5.109
   66    HE1  TYR   7           HE1      TYR   7   0.496   2.133   8.600
   67    HE2  TYR   7           HE2      TYR   7  -1.801   5.549   7.257
   68    HH   TYR   7           HH       TYR   7  -1.010   5.309   9.325
   69    H    LEU   8           H        LEU   8  -0.943  -1.556   3.806
   70    HA   LEU   8           HA       LEU   8  -1.645  -1.807   0.913
   71   1HB   LEU   8           HB1      LEU   8   0.650  -2.835   2.623
   72   2HB   LEU   8           HB2      LEU   8  -0.154  -4.086   1.649
   73    HG   LEU   8           HG       LEU   8   0.280  -2.779  -0.362
   74   1HD1  LEU   8          2HD1      LEU   8   0.158  -0.550   0.641
   75   2HD1  LEU   8          3HD1      LEU   8   1.780  -0.818   1.227
   76   3HD1  LEU   8          1HD1      LEU   8   1.443  -0.879  -0.519
   77   1HD2  LEU   8          3HD2      LEU   8   2.430  -3.905   1.505
   78   2HD2  LEU   8          1HD2      LEU   8   2.054  -4.356  -0.117
   79   3HD2  LEU   8          2HD2      LEU   8   3.035  -2.881   0.183
   80    H    PHE   9           H        PHE   9  -3.729  -2.605   0.929
   81    HA   PHE   9           HA       PHE   9  -4.838  -3.831   3.328
   82   1HB   PHE   9           HB1      PHE   9  -5.863  -2.223   0.985
   83   2HB   PHE   9           HB2      PHE   9  -6.868  -2.739   2.373
   84    HD1  PHE   9           HD2      PHE   9  -4.231  -2.259   4.168
   85    HD2  PHE   9           HD1      PHE   9  -6.118   0.192   1.224
   86    HE1  PHE   9           HE2      PHE   9  -4.291  -0.353   5.801
   87    HE2  PHE   9           HE1      PHE   9  -5.964   2.184   2.779
   88    HZ   PHE   9           HZ       PHE   9  -4.511   1.945   4.846
   89    H    SER  10           H        SER  10  -5.040  -6.291   3.001
   90    HA   SER  10           HA       SER  10  -5.330  -7.262   0.273
   91   1HB   SER  10           HB1      SER  10  -2.959  -6.174   0.924
   92   2HB   SER  10           HB2      SER  10  -2.660  -7.912   1.337
   93    HG   SER  10           HG       SER  10  -2.136  -7.250  -0.917
   94    H    SER  11           H        SER  11  -3.895  -9.728   0.574
   95    HA   SER  11           HA       SER  11  -5.832 -11.093   2.276
   96   1HB   SER  11           HB1      SER  11  -5.985 -10.549  -0.653
   97   2HB   SER  11           HB2      SER  11  -6.188 -12.282  -0.246
   98    HG   SER  11           HG       SER  11  -8.198 -11.009  -0.295
   99    H    ALA  12           H        ALA  12  -2.895 -10.929   2.142
  100    HA   ALA  12           HA       ALA  12  -2.147 -13.652   2.311
  101   1HB   ALA  12           HB2      ALA  12  -1.996 -12.533  -0.315
  102   2HB   ALA  12           HB3      ALA  12  -0.334 -12.743   0.285
  103   3HB   ALA  12           HB1      ALA  12  -1.439 -14.113   0.205
  104    H    GLY  13           H        GLY  13  -1.514 -12.589   4.417
  105   1HA   GLY  13           HA1      GLY  13   0.266 -10.606   4.845
  106   2HA   GLY  13           HA2      GLY  13   0.171 -12.112   5.836
  107    H    MET  14           H        MET  14   1.042 -13.592   3.242
  108    HA   MET  14           HA       MET  14   3.939 -13.048   3.432
  109   1HB   MET  14           HB1      MET  14   3.310 -15.643   2.233
  110   2HB   MET  14           HB2      MET  14   4.409 -15.228   3.576
  111   1HG   MET  14           HG1      MET  14   1.524 -15.117   4.292
  112   2HG   MET  14           HG2      MET  14   2.126 -16.729   3.892
  113   1HE   MET  14           HE2      MET  14   4.793 -17.120   4.680
  114   2HE   MET  14           HE3      MET  14   5.044 -17.274   6.399
  115   3HE   MET  14           HE1      MET  14   3.678 -18.163   5.617
  116    H    SER  15           H        SER  15   1.735 -11.841   1.752
  117    HA   SER  15           HA       SER  15   3.647 -11.594  -0.526
  118   1HB   SER  15           HB1      SER  15   0.597 -11.366  -0.735
  119   2HB   SER  15           HB2      SER  15   1.772 -11.158  -2.052
  120    HG   SER  15           HG       SER  15   0.742 -13.332  -1.944
  121    H    THR  16           H        THR  16   2.557 -10.176   2.186
  122    HA   THR  16           HA       THR  16   2.139  -7.444   1.187
  123    HB   THR  16           HB       THR  16   0.621  -7.908   3.637
  124    HG1  THR  16           HG1      THR  16  -1.182  -8.917   2.444
  125   1HG2  THR  16          1HG2      THR  16   0.786  -5.953   1.910
  126   2HG2  THR  16          2HG2      THR  16  -0.723  -6.709   1.341
  127   3HG2  THR  16          3HG2      THR  16  -0.583  -6.222   3.022
  128    H    SER  17           H        SER  17   2.690  -9.436   4.212
  129    HA   SER  17           HA       SER  17   3.580  -7.322   5.816
  130   1HB   SER  17           HB1      SER  17   3.097 -10.102   6.130
  131   2HB   SER  17           HB2      SER  17   4.878  -9.975   6.326
  132    HG   SER  17           HG       SER  17   3.624  -9.754   8.348
  133    H    LEU  18           H        LEU  18   5.353  -9.694   3.750
  134    HA   LEU  18           HA       LEU  18   7.921  -8.683   4.536
  135   1HB   LEU  18           HB1      LEU  18   6.792 -11.150   3.534
  136   2HB   LEU  18           HB2      LEU  18   7.513 -10.479   2.055
  137    HG   LEU  18           HG       LEU  18   9.012 -11.308   4.541
  138   1HD1  LEU  18          2HD1      LEU  18   7.898 -13.155   3.205
  139   2HD1  LEU  18          3HD1      LEU  18   9.097 -12.746   1.993
  140   3HD1  LEU  18          1HD1      LEU  18   9.591 -13.216   3.662
  141   1HD2  LEU  18          2HD2      LEU  18   9.855 -10.042   1.932
  142   2HD2  LEU  18          3HD2      LEU  18  10.454  -9.677   3.536
  143   3HD2  LEU  18          1HD2      LEU  18  10.923 -11.213   2.752
  144    H    LEU  19           H        LEU  19   5.512  -7.534   2.550
  145    HA   LEU  19           HA       LEU  19   7.183  -6.695   0.299
  146   1HB   LEU  19           HB1      LEU  19   5.132  -7.526  -0.656
  147   2HB   LEU  19           HB2      LEU  19   4.321  -7.363   0.911
  148    HG   LEU  19           HG       LEU  19   3.685  -5.238   0.497
  149   1HD1  LEU  19          3HD1      LEU  19   5.961  -4.921  -1.046
  150   2HD1  LEU  19          1HD1      LEU  19   4.497  -4.376  -1.978
  151   3HD1  LEU  19          2HD1      LEU  19   4.905  -3.633  -0.448
  152   1HD2  LEU  19          1HD2      LEU  19   2.607  -7.139  -0.972
  153   2HD2  LEU  19          2HD2      LEU  19   2.308  -5.487  -1.594
  154   3HD2  LEU  19          3HD2      LEU  19   3.488  -6.398  -2.376
  155    H    VAL  20           H        VAL  20   5.106  -5.580   3.022
  156    HA   VAL  20           HA       VAL  20   5.704  -2.723   2.786
  157    HB   VAL  20           HB       VAL  20   3.985  -4.407   4.312
  158   1HG1  VAL  20          1HG1      VAL  20   5.607  -3.951   6.046
  159   2HG1  VAL  20          2HG1      VAL  20   5.159  -2.211   5.949
  160   3HG1  VAL  20          3HG1      VAL  20   4.012  -3.423   6.466
  161   1HG2  VAL  20          1HG2      VAL  20   3.819  -2.203   2.746
  162   2HG2  VAL  20          2HG2      VAL  20   2.500  -2.696   3.815
  163   3HG2  VAL  20          3HG2      VAL  20   3.690  -1.485   4.373
  164    H    SER  21           H        SER  21   7.071  -5.716   3.947
  165    HA   SER  21           HA       SER  21   8.832  -4.422   5.870
  166   1HB   SER  21           HB1      SER  21   7.482  -7.000   5.591
  167   2HB   SER  21           HB2      SER  21   9.208  -7.210   6.005
  168    HG   SER  21           HG       SER  21   7.725  -7.002   7.878
  169    H    LYS  22           H        LYS  22   8.724  -5.497   2.616
  170    HA   LYS  22           HA       LYS  22  11.649  -5.748   2.318
  171   1HB   LYS  22           HB1      LYS  22  10.362  -7.377   0.999
  172   2HB   LYS  22           HB2      LYS  22   9.364  -6.105   0.335
  173   1HG   LYS  22           HG1      LYS  22  11.124  -5.293  -0.970
  174   2HG   LYS  22           HG2      LYS  22  12.417  -5.940   0.076
  175   1HD   LYS  22           HD1      LYS  22  10.629  -7.737  -1.584
  176   2HD   LYS  22           HD2      LYS  22  12.162  -7.133  -2.153
  177   1HE   LYS  22           HE1      LYS  22  12.768  -7.885   0.479
  178   2HE   LYS  22           HE2      LYS  22  11.682  -9.186  -0.048
  179   1HZ   LYS  22           HZ1      LYS  22  13.052  -9.431  -2.013
  180   2HZ   LYS  22           HZ2      LYS  22  14.142  -8.269  -1.426
  181   3HZ   LYS  22           HZ3      LYS  22  13.910  -9.743  -0.593
  182    H    MET  23           H        MET  23   8.783  -4.074   0.987
  183    HA   MET  23           HA       MET  23   9.603  -1.736  -0.024
  184   1HB   MET  23           HB1      MET  23   7.197  -2.521   1.549
  185   2HB   MET  23           HB2      MET  23   7.492  -0.791   1.481
  186   1HG   MET  23           HG1      MET  23   8.086  -1.326  -1.083
  187   2HG   MET  23           HG2      MET  23   6.972  -2.677  -0.821
  188   1HE   MET  23           HE1      MET  23   7.687   0.902  -0.757
  189   2HE   MET  23           HE2      MET  23   6.234   1.721  -1.415
  190   3HE   MET  23           HE3      MET  23   6.447   1.533   0.353
  191    H    ARG  24           H        ARG  24   8.940  -2.303   3.531
  192    HA   ARG  24           HA       ARG  24  10.049   0.091   4.484
  193   1HB   ARG  24           HB1      ARG  24   9.150  -2.549   5.508
  194   2HB   ARG  24           HB2      ARG  24  10.449  -1.829   6.506
  195   1HG   ARG  24           HG1      ARG  24   9.006   0.011   7.146
  196   2HG   ARG  24           HG2      ARG  24   7.876  -0.356   5.798
  197   1HD   ARG  24           HD1      ARG  24   7.152  -2.399   6.911
  198   2HD   ARG  24           HD2      ARG  24   8.433  -2.244   8.143
  199    HE   ARG  24           HE       ARG  24   6.037  -0.512   7.814
  200   1HH1  ARG  24          2HH1      ARG  24   8.831  -1.108   9.631
  201   2HH1  ARG  24          1HH1      ARG  24   8.019  -0.520  11.247
  202   1HH2  ARG  24          2HH2      ARG  24   5.230   0.263   9.627
  203   2HH2  ARG  24          1HH2      ARG  24   6.283   0.265  11.204
  204    H    ALA  25           H        ALA  25  11.398  -3.180   4.095
  205    HA   ALA  25           HA       ALA  25  13.898  -3.119   4.974
  206   1HB   ALA  25           HB1      ALA  25  12.846  -4.939   3.587
  207   2HB   ALA  25           HB2      ALA  25  13.353  -4.079   2.128
  208   3HB   ALA  25           HB3      ALA  25  14.559  -4.673   3.265
  209    H    GLN  26           H        GLN  26  13.048  -1.876   1.653
  210    HA   GLN  26           HA       GLN  26  14.993   0.021   1.274
  211   1HB   GLN  26           HB1      GLN  26  12.120   1.022   0.747
  212   2HB   GLN  26           HB2      GLN  26  13.593   1.071  -0.264
  213   1HG   GLN  26           HG1      GLN  26  11.228  -0.815  -0.199
  214   2HG   GLN  26           HG2      GLN  26  12.242  -0.181  -1.518
  215   1HE2  GLN  26          1HE2      GLN  26  14.276  -3.423  -0.188
  216   2HE2  GLN  26          2HE2      GLN  26  14.771  -1.716   0.043
  217    H    ALA  27           H        ALA  27  11.747   1.090   2.614
  218    HA   ALA  27           HA       ALA  27  12.281   3.702   2.868
  219   1HB   ALA  27           HB3      ALA  27  10.144   2.395   3.406
  220   2HB   ALA  27           HB1      ALA  27  10.675   2.531   5.116
  221   3HB   ALA  27           HB2      ALA  27  10.416   3.962   4.124
  222    H    GLU  28           H        GLU  28  13.515   1.352   5.359
  223    HA   GLU  28           HA       GLU  28  14.460   3.603   7.029
  224   1HB   GLU  28           HB1      GLU  28  14.350   2.341   8.815
  225   2HB   GLU  28           HB2      GLU  28  13.270   1.274   7.828
  226   1HG   GLU  28           HG1      GLU  28  15.440   0.021   7.187
  227   2HG   GLU  28           HG2      GLU  28  16.229   0.977   8.444
  228    H    LYS  29           H        LYS  29  15.674   0.644   5.285
  229    HA   LYS  29           HA       LYS  29  18.395   1.012   5.311
  230   1HB   LYS  29           HB1      LYS  29  17.745  -0.894   4.212
  231   2HB   LYS  29           HB2      LYS  29  16.397  -0.045   3.384
  232   1HG   LYS  29           HG1      LYS  29  17.759   0.856   1.732
  233   2HG   LYS  29           HG2      LYS  29  19.264   0.553   2.668
  234   1HD   LYS  29           HD1      LYS  29  19.370  -1.116   1.050
  235   2HD   LYS  29           HD2      LYS  29  18.455  -2.002   2.319
  236   1HE   LYS  29           HE1      LYS  29  16.589  -2.004   1.045
  237   2HE   LYS  29           HE2      LYS  29  16.721  -0.269   0.627
  238   1HZ   LYS  29           HZ1      LYS  29  18.423  -0.940  -0.995
  239   2HZ   LYS  29           HZ2      LYS  29  18.076  -2.560  -0.689
  240   3HZ   LYS  29           HZ3      LYS  29  16.849  -1.527  -1.355
  241    H    TYR  30           H        TYR  30  15.860   2.956   3.896
  242    HA   TYR  30           HA       TYR  30  17.803   5.020   3.143
  243   1HB   TYR  30           HB1      TYR  30  14.997   4.479   2.253
  244   2HB   TYR  30           HB2      TYR  30  15.868   5.976   1.835
  245    HD1  TYR  30           HD2      TYR  30  18.169   5.629   0.725
  246    HD2  TYR  30           HD1      TYR  30  15.090   2.630   0.858
  247    HE1  TYR  30           HE2      TYR  30  19.006   4.626  -1.441
  248    HE2  TYR  30           HE1      TYR  30  16.369   1.235  -0.808
  249    HH   TYR  30           HH       TYR  30  19.301   2.623  -2.344
  250    H    GLU  31           H        GLU  31  17.015   7.302   3.822
  251    HA   GLU  31           HA       GLU  31  15.740   7.330   6.368
  252   1HB   GLU  31           HB1      GLU  31  16.263   9.807   6.210
  253   2HB   GLU  31           HB2      GLU  31  17.710   8.757   6.125
  254   1HG   GLU  31           HG1      GLU  31  18.139   9.331   4.010
  255   2HG   GLU  31           HG2      GLU  31  16.446   9.298   3.485
  256    H    VAL  32           H        VAL  32  14.302   6.645   3.754
  257    HA   VAL  32           HA       VAL  32  12.626   8.523   2.701
  258    HB   VAL  32           HB       VAL  32  12.337   5.589   3.287
  259   1HG1  VAL  32          3HG1      VAL  32  10.001   7.199   2.641
  260   2HG1  VAL  32          1HG1      VAL  32  10.517   6.080   1.345
  261   3HG1  VAL  32          2HG1      VAL  32  10.244   5.519   3.000
  262   1HG2  VAL  32          2HG2      VAL  32  12.842   7.242   0.719
  263   2HG2  VAL  32          3HG2      VAL  32  13.996   6.232   1.585
  264   3HG2  VAL  32          1HG2      VAL  32  12.607   5.492   0.811
  265    HA   PRO  33           HA       PRO  33  10.152   9.499   6.336
  266   1HB   PRO  33           HB1      PRO  33   9.314  11.956   5.609
  267   2HB   PRO  33           HB2      PRO  33  11.021  11.643   5.997
  268   1HG   PRO  33           HG1      PRO  33   9.633  11.551   3.222
  269   2HG   PRO  33           HG2      PRO  33  11.025  12.546   3.671
  270   1HD   PRO  33           HD2      PRO  33  11.385  10.023   2.509
  271   2HD   PRO  33           HD1      PRO  33  12.521  10.580   3.752
  272    H    VAL  34           H        VAL  34   9.014   7.557   5.271
  273    HA   VAL  34           HA       VAL  34   6.323   8.218   5.913
  274    HB   VAL  34           HB       VAL  34   5.340   8.471   4.039
  275   1HG1  VAL  34          2HG1      VAL  34   7.978   8.282   2.843
  276   2HG1  VAL  34          3HG1      VAL  34   6.671   7.974   1.755
  277   3HG1  VAL  34          1HG1      VAL  34   6.609   9.441   2.706
  278   1HG2  VAL  34          2HG2      VAL  34   6.082   5.624   3.305
  279   2HG2  VAL  34          3HG2      VAL  34   4.623   6.187   4.122
  280   3HG2  VAL  34          1HG2      VAL  34   4.976   6.709   2.448
  281    H    ILE  35           H        ILE  35   4.970   6.123   6.160
  282    HA   ILE  35           HA       ILE  35   6.637   3.922   7.048
  283    HB   ILE  35           HB       ILE  35   4.359   5.175   8.557
  284   1HG1  ILE  35          1HG1      ILE  35   6.971   6.056   8.424
  285   2HG1  ILE  35          2HG1      ILE  35   5.902   6.271   9.811
  286   1HG2  ILE  35          1HG2      ILE  35   5.229   2.511   8.782
  287   2HG2  ILE  35          2HG2      ILE  35   5.266   3.417  10.340
  288   3HG2  ILE  35          3HG2      ILE  35   3.797   3.338   9.403
  289   1HD1  ILE  35           HD3      ILE  35   7.730   3.869   9.794
  290   2HD1  ILE  35           HD1      ILE  35   8.328   5.564   9.977
  291   3HD1  ILE  35           HD2      ILE  35   7.243   4.805  11.157
  292    H    ILE  36           H        ILE  36   5.581   1.775   6.869
  293    HA   ILE  36           HA       ILE  36   3.523   1.480   4.788
  294    HB   ILE  36           HB       ILE  36   5.725  -0.316   4.622
  295   1HG1  ILE  36          1HG1      ILE  36   6.087   2.524   3.576
  296   2HG1  ILE  36          2HG1      ILE  36   6.878   1.907   5.040
  297   1HG2  ILE  36          3HG2      ILE  36   3.606  -0.058   3.048
  298   2HG2  ILE  36          1HG2      ILE  36   4.812   0.931   2.210
  299   3HG2  ILE  36          2HG2      ILE  36   5.124  -0.746   2.594
  300   1HD1  ILE  36           HD2      ILE  36   8.058   0.181   3.508
  301   2HD1  ILE  36           HD3      ILE  36   7.271   0.938   2.184
  302   3HD1  ILE  36           HD1      ILE  36   8.357   1.918   3.248
  303    H    GLU  37           H        GLU  37   1.983   0.005   5.483
  304    HA   GLU  37           HA       GLU  37   2.551  -2.114   7.336
  305   1HB   GLU  37           HB1      GLU  37   0.756   0.173   8.235
  306   2HB   GLU  37           HB2      GLU  37   0.992  -1.393   9.080
  307   1HG   GLU  37           HG1      GLU  37   3.542  -0.620   8.890
  308   2HG   GLU  37           HG2      GLU  37   2.724   0.979   8.982
  309    H    ALA  38           H        ALA  38   1.164  -3.787   6.818
  310    HA   ALA  38           HA       ALA  38  -0.530  -3.264   4.491
  311   1HB   ALA  38           HB1      ALA  38   1.725  -4.951   4.952
  312   2HB   ALA  38           HB2      ALA  38   0.331  -5.992   4.738
  313   3HB   ALA  38           HB3      ALA  38   0.744  -4.814   3.484
  314    H    PHE  39           H        PHE  39  -2.679  -3.722   4.668
  315    HA   PHE  39           HA       PHE  39  -3.646  -4.916   7.211
  316   1HB   PHE  39           HB1      PHE  39  -4.624  -2.298   6.050
  317   2HB   PHE  39           HB2      PHE  39  -5.163  -3.120   7.520
  318    HD1  PHE  39           HD1      PHE  39  -2.028  -3.926   7.995
  319    HD2  PHE  39           HD2      PHE  39  -4.361  -0.315   7.632
  320    HE1  PHE  39           HE1      PHE  39  -0.455  -2.719   9.518
  321    HE2  PHE  39           HE2      PHE  39  -2.295   0.993   8.240
  322    HZ   PHE  39           HZ       PHE  39  -0.573  -0.186   9.631
  323    HA   PRO  40           HA       PRO  40  -6.896  -6.515   4.655
  324   1HB   PRO  40           HB1      PRO  40  -8.618  -7.494   6.446
  325   2HB   PRO  40           HB2      PRO  40  -6.926  -8.052   6.354
  326   1HG   PRO  40           HG1      PRO  40  -8.176  -5.960   8.193
  327   2HG   PRO  40           HG2      PRO  40  -7.128  -7.284   8.700
  328   1HD   PRO  40           HD2      PRO  40  -6.196  -4.637   8.076
  329   2HD   PRO  40           HD1      PRO  40  -5.148  -6.090   8.013
  330    H    GLU  41           H        GLU  41  -7.306  -4.336   3.853
  331    HA   GLU  41           HA       GLU  41  -8.080  -2.302   3.775
  332   1HB   GLU  41           HB1      GLU  41  -9.826  -2.172   2.366
  333   2HB   GLU  41           HB2      GLU  41  -9.375  -3.879   2.174
  334   1HG   GLU  41           HG1      GLU  41 -11.465  -4.600   2.942
  335   2HG   GLU  41           HG2      GLU  41 -11.560  -3.260   4.123
  336    H    THR  42           H        THR  42 -10.001  -3.838   6.406
  337    HA   THR  42           HA       THR  42 -11.740  -1.735   7.082
  338    HB   THR  42           HB       THR  42 -12.193  -3.142   8.988
  339    HG1  THR  42           HG1      THR  42 -10.766  -5.069   9.197
  340   1HG2  THR  42          3HG2      THR  42 -11.846  -4.161   6.333
  341   2HG2  THR  42          1HG2      THR  42 -12.360  -5.319   7.610
  342   3HG2  THR  42          2HG2      THR  42 -13.362  -3.928   7.184
  343    H    LEU  43           H        LEU  43  -8.381  -2.003   7.200
  344    HA   LEU  43           HA       LEU  43  -8.251   0.334   8.978
  345   1HB   LEU  43           HB1      LEU  43  -6.401  -1.984   8.390
  346   2HB   LEU  43           HB2      LEU  43  -5.703  -0.446   8.986
  347    HG   LEU  43           HG       LEU  43  -7.569  -2.243  10.419
  348   1HD1  LEU  43          1HD1      LEU  43  -4.873  -2.573  10.203
  349   2HD1  LEU  43          2HD1      LEU  43  -5.092  -2.042  11.854
  350   3HD1  LEU  43          3HD1      LEU  43  -6.029  -3.403  11.296
  351   1HD2  LEU  43          3HD2      LEU  43  -7.535   0.498  10.753
  352   2HD2  LEU  43          1HD2      LEU  43  -7.725  -0.614  12.075
  353   3HD2  LEU  43          2HD2      LEU  43  -6.129   0.079  11.702
  354    H    ALA  44           H        ALA  44  -8.915  -0.106   5.957
  355    HA   ALA  44           HA       ALA  44  -6.991   1.754   4.840
  356   1HB   ALA  44           HB3      ALA  44  -8.828   0.000   3.571
  357   2HB   ALA  44           HB1      ALA  44  -9.532   1.575   3.336
  358   3HB   ALA  44           HB2      ALA  44  -7.881   1.275   2.797
  359    H    GLY  45           H        GLY  45 -10.491   1.783   5.767
  360   1HA   GLY  45           HA1      GLY  45 -11.314   4.286   6.203
  361   2HA   GLY  45           HA2      GLY  45 -11.271   3.079   7.500
  362    H    GLU  46           H        GLU  46  -8.867   2.880   8.472
  363    HA   GLU  46           HA       GLU  46  -8.555   5.472   9.715
  364   1HB   GLU  46           HB1      GLU  46  -8.780   3.552  11.211
  365   2HB   GLU  46           HB2      GLU  46  -7.466   2.679  10.414
  366   1HG   GLU  46           HG1      GLU  46  -6.658   3.591  12.483
  367   2HG   GLU  46           HG2      GLU  46  -5.931   4.546  11.151
  368    H    LYS  47           H        LYS  47  -6.334   2.981   8.124
  369    HA   LYS  47           HA       LYS  47  -4.093   4.717   8.394
  370   1HB   LYS  47           HB1      LYS  47  -4.345   1.962   7.172
  371   2HB   LYS  47           HB2      LYS  47  -2.833   2.739   7.647
  372   1HG   LYS  47           HG1      LYS  47  -4.981   2.628   9.661
  373   2HG   LYS  47           HG2      LYS  47  -4.115   1.118   9.318
  374   1HD   LYS  47           HD1      LYS  47  -1.943   2.338   9.739
  375   2HD   LYS  47           HD2      LYS  47  -2.865   3.728  10.317
  376   1HE   LYS  47           HE1      LYS  47  -3.894   1.308  11.649
  377   2HE   LYS  47           HE2      LYS  47  -2.114   1.338  11.821
  378   1HZ   LYS  47           HZ1      LYS  47  -2.330   3.651  12.552
  379   2HZ   LYS  47           HZ2      LYS  47  -4.022   3.475  12.575
  380   3HZ   LYS  47           HZ3      LYS  47  -3.073   2.553  13.607
  381    H    GLY  48           H        GLY  48  -5.956   3.128   5.724
  382   1HA   GLY  48           HA1      GLY  48  -4.954   4.641   3.599
  383   2HA   GLY  48           HA2      GLY  48  -6.514   3.808   3.686
  384    H    GLN  49           H        GLN  49  -7.300   5.669   6.107
  385    HA   GLN  49           HA       GLN  49  -7.862   8.214   4.987
  386   1HB   GLN  49           HB1      GLN  49  -9.044   7.297   6.909
  387   2HB   GLN  49           HB2      GLN  49  -7.564   7.219   7.878
  388   1HG   GLN  49           HG1      GLN  49  -7.653   9.920   7.201
  389   2HG   GLN  49           HG2      GLN  49  -9.375   9.498   7.277
  390   1HE2  GLN  49          1HE2      GLN  49  -8.677   8.367  10.891
  391   2HE2  GLN  49          2HE2      GLN  49  -9.140   7.449   9.470
  392    H    ASN  50           H        ASN  50  -5.106   7.062   7.145
  393    HA   ASN  50           HA       ASN  50  -4.094   9.772   7.383
  394   1HB   ASN  50           HB1      ASN  50  -3.909   7.185   8.886
  395   2HB   ASN  50           HB2      ASN  50  -2.596   8.353   9.087
  396   1HD2  ASN  50          1HD2      ASN  50  -4.492  10.460  11.172
  397   2HD2  ASN  50          2HD2      ASN  50  -3.237  10.623   9.920
  398    H    ALA  51           H        ALA  51  -3.797   7.824   4.985
  399    HA   ALA  51           HA       ALA  51  -0.961   7.243   4.711
  400   1HB   ALA  51           HB2      ALA  51  -3.431   6.759   3.192
  401   2HB   ALA  51           HB3      ALA  51  -1.978   7.003   2.215
  402   3HB   ALA  51           HB1      ALA  51  -2.007   5.741   3.442
  403    H    ASP  52           H        ASP  52   0.276   7.962   2.802
  404    HA   ASP  52           HA       ASP  52  -0.381  10.485   1.514
  405   1HB   ASP  52           HB1      ASP  52   1.936  10.352   2.218
  406   2HB   ASP  52           HB2      ASP  52   2.082   8.727   1.556
  407    H    VAL  53           H        VAL  53   0.670   7.133   1.031
  408    HA   VAL  53           HA       VAL  53  -1.051   6.776  -1.337
  409    HB   VAL  53           HB       VAL  53   1.592   5.381  -1.224
  410   1HG1  VAL  53          1HG1      VAL  53  -0.561   5.526  -3.073
  411   2HG1  VAL  53          2HG1      VAL  53   1.035   5.762  -3.850
  412   3HG1  VAL  53          3HG1      VAL  53   0.713   4.293  -2.961
  413   1HG2  VAL  53          2HG2      VAL  53   2.062   7.929  -1.192
  414   2HG2  VAL  53          3HG2      VAL  53   2.793   6.982  -2.453
  415   3HG2  VAL  53          1HG2      VAL  53   1.324   7.934  -2.805
  416    H    VAL  54           H        VAL  54  -1.516   4.443  -1.745
  417    HA   VAL  54           HA       VAL  54  -1.706   2.759   0.559
  418    HB   VAL  54           HB       VAL  54  -3.975   4.557  -0.206
  419   1HG1  VAL  54          3HG1      VAL  54  -4.504   1.792   0.943
  420   2HG1  VAL  54          1HG1      VAL  54  -5.426   3.277   1.324
  421   3HG1  VAL  54          2HG1      VAL  54  -5.261   2.686  -0.367
  422   1HG2  VAL  54          2HG2      VAL  54  -2.205   4.858   1.763
  423   2HG2  VAL  54          3HG2      VAL  54  -3.949   5.130   2.069
  424   3HG2  VAL  54          1HG2      VAL  54  -3.215   3.580   2.518
  425    H    LEU  55           H        LEU  55  -2.131   0.644  -0.140
  426    HA   LEU  55           HA       LEU  55  -3.050   0.131  -2.915
  427   1HB   LEU  55           HB1      LEU  55  -0.946  -1.193  -1.074
  428   2HB   LEU  55           HB2      LEU  55  -1.222  -1.635  -2.769
  429    HG   LEU  55           HG       LEU  55   0.733  -0.393  -2.736
  430   1HD1  LEU  55          3HD1      LEU  55  -0.611   0.108  -4.566
  431   2HD1  LEU  55          1HD1      LEU  55  -1.293   1.493  -3.660
  432   3HD1  LEU  55          2HD1      LEU  55   0.376   1.491  -4.180
  433   1HD2  LEU  55          1HD2      LEU  55  -0.273   0.928  -0.467
  434   2HD2  LEU  55          2HD2      LEU  55   1.263   1.295  -1.273
  435   3HD2  LEU  55          3HD2      LEU  55  -0.157   2.209  -1.697
  436    H    LEU  56           H        LEU  56  -4.378  -1.710  -3.204
  437    HA   LEU  56           HA       LEU  56  -5.469  -3.040  -0.750
  438   1HB   LEU  56           HB1      LEU  56  -7.020  -1.362  -1.746
  439   2HB   LEU  56           HB2      LEU  56  -6.846  -2.054  -3.378
  440    HG   LEU  56           HG       LEU  56  -8.944  -2.603  -2.608
  441   1HD1  LEU  56          2HD1      LEU  56  -7.854  -4.449  -3.882
  442   2HD1  LEU  56          3HD1      LEU  56  -7.604  -5.184  -2.309
  443   3HD1  LEU  56          1HD1      LEU  56  -9.250  -4.813  -2.890
  444   1HD2  LEU  56          3HD2      LEU  56  -8.498  -2.269  -0.130
  445   2HD2  LEU  56          1HD2      LEU  56  -9.336  -3.799  -0.453
  446   3HD2  LEU  56          2HD2      LEU  56  -7.607  -3.768  -0.126
  447    H    GLY  57           H        GLY  57  -5.163  -5.335  -0.856
  448   1HA   GLY  57           HA1      GLY  57  -3.589  -6.659  -2.484
  449   2HA   GLY  57           HA2      GLY  57  -5.033  -7.458  -1.748
  450    HA   PRO  58           HA       PRO  58  -5.372  -7.200  -6.407
  451   1HB   PRO  58           HB1      PRO  58  -3.902  -9.272  -7.467
  452   2HB   PRO  58           HB2      PRO  58  -3.250  -7.629  -7.181
  453   1HG   PRO  58           HG1      PRO  58  -2.953 -10.160  -5.459
  454   2HG   PRO  58           HG2      PRO  58  -1.742  -8.916  -5.854
  455   1HD   PRO  58           HD2      PRO  58  -3.295  -8.949  -3.419
  456   2HD   PRO  58           HD1      PRO  58  -2.538  -7.471  -4.098
  457    H    GLN  59           H        GLN  59  -6.231  -9.260  -4.076
  458    HA   GLN  59           HA       GLN  59  -7.820 -11.048  -5.774
  459   1HB   GLN  59           HB1      GLN  59  -7.318 -11.535  -2.808
  460   2HB   GLN  59           HB2      GLN  59  -7.490 -12.709  -4.140
  461   1HG   GLN  59           HG1      GLN  59  -5.257 -12.842  -4.429
  462   2HG   GLN  59           HG2      GLN  59  -5.144 -11.069  -4.518
  463   1HE2  GLN  59          1HE2      GLN  59  -4.528 -12.953  -0.891
  464   2HE2  GLN  59          2HE2      GLN  59  -5.577 -13.765  -2.061
  465    H    ILE  60           H        ILE  60  -7.785  -8.711  -3.063
  466    HA   ILE  60           HA       ILE  60 -10.655  -8.868  -2.495
  467    HB   ILE  60           HB       ILE  60  -9.590  -6.477  -1.367
  468   1HG1  ILE  60          1HG1      ILE  60  -7.916  -8.944  -0.659
  469   2HG1  ILE  60          2HG1      ILE  60  -7.290  -7.544  -1.582
  470   1HG2  ILE  60          1HG2      ILE  60 -11.489  -7.550  -0.622
  471   2HG2  ILE  60          2HG2      ILE  60 -10.529  -8.960  -0.027
  472   3HG2  ILE  60          3HG2      ILE  60 -10.359  -7.363   0.676
  473   1HD1  ILE  60           HD2      ILE  60  -8.469  -6.750   1.030
  474   2HD1  ILE  60           HD3      ILE  60  -7.157  -7.870   1.140
  475   3HD1  ILE  60           HD1      ILE  60  -7.011  -6.339   0.182
  476    H    ALA  61           H        ALA  61  -8.681  -7.680  -4.977
  477    HA   ALA  61           HA       ALA  61  -8.913  -5.650  -6.292
  478   1HB   ALA  61           HB1      ALA  61  -9.372  -8.089  -7.173
  479   2HB   ALA  61           HB2      ALA  61 -10.992  -7.433  -7.464
  480   3HB   ALA  61           HB3      ALA  61  -9.577  -6.678  -8.204
  481    H    TYR  62           H        TYR  62 -12.204  -6.980  -5.503
  482    HA   TYR  62           HA       TYR  62 -13.561  -4.954  -6.950
  483   1HB   TYR  62           HB1      TYR  62 -15.600  -6.030  -6.086
  484   2HB   TYR  62           HB2      TYR  62 -14.390  -7.217  -6.683
  485    HD1  TYR  62           HD1      TYR  62 -12.859  -6.591  -3.769
  486    HD2  TYR  62           HD2      TYR  62 -16.526  -8.235  -5.271
  487    HE1  TYR  62           HE1      TYR  62 -13.231  -7.673  -1.542
  488    HE2  TYR  62           HE2      TYR  62 -16.884  -9.469  -3.070
  489    HH   TYR  62           HH       TYR  62 -16.015  -9.924  -1.100
  490    H    MET  63           H        MET  63 -12.074  -4.845  -3.858
  491    HA   MET  63           HA       MET  63 -13.943  -3.369  -2.268
  492   1HB   MET  63           HB1      MET  63 -11.232  -4.525  -2.010
  493   2HB   MET  63           HB2      MET  63 -11.712  -3.162  -0.923
  494   1HG   MET  63           HG1      MET  63 -13.758  -4.362  -0.425
  495   2HG   MET  63           HG2      MET  63 -13.218  -5.750  -1.364
  496   1HE   MET  63           HE1      MET  63 -13.956  -4.818   1.890
  497   2HE   MET  63           HE2      MET  63 -14.077  -6.565   1.633
  498   3HE   MET  63           HE3      MET  63 -13.012  -5.943   2.899
  499    H    LEU  64           H        LEU  64 -12.373  -2.423  -5.017
  500    HA   LEU  64           HA       LEU  64 -10.780  -0.209  -4.168
  501   1HB   LEU  64           HB1      LEU  64 -10.634  -1.815  -6.288
  502   2HB   LEU  64           HB2      LEU  64 -11.945  -0.800  -6.997
  503    HG   LEU  64           HG       LEU  64 -10.508   1.039  -7.238
  504   1HD1  LEU  64          3HD1      LEU  64  -8.916  -0.080  -5.129
  505   2HD1  LEU  64          1HD1      LEU  64  -8.078   0.795  -6.444
  506   3HD1  LEU  64          2HD1      LEU  64  -9.305   1.573  -5.468
  507   1HD2  LEU  64          2HD2      LEU  64  -9.441  -1.619  -8.101
  508   2HD2  LEU  64          3HD2      LEU  64  -9.686  -0.199  -9.101
  509   3HD2  LEU  64          1HD2      LEU  64  -8.263  -0.314  -8.075
  510    HA   PRO  65           HA       PRO  65 -14.501   2.318  -5.713
  511   1HB   PRO  65           HB1      PRO  65 -17.005   0.801  -5.747
  512   2HB   PRO  65           HB2      PRO  65 -16.236   1.666  -7.067
  513   1HG   PRO  65           HG1      PRO  65 -16.290  -1.174  -6.825
  514   2HG   PRO  65           HG2      PRO  65 -15.107  -0.318  -7.815
  515   1HD   PRO  65           HD2      PRO  65 -14.767  -1.443  -4.976
  516   2HD   PRO  65           HD1      PRO  65 -13.608  -1.408  -6.321
  517    H    GLU  66           H        GLU  66 -15.155  -0.031  -3.293
  518    HA   GLU  66           HA       GLU  66 -16.729   1.461  -1.528
  519   1HB   GLU  66           HB1      GLU  66 -16.465  -0.995  -1.507
  520   2HB   GLU  66           HB2      GLU  66 -14.782  -0.818  -0.954
  521   1HG   GLU  66           HG1      GLU  66 -15.663  -0.982   1.148
  522   2HG   GLU  66           HG2      GLU  66 -16.210   0.693   0.964
  523    H    ILE  67           H        ILE  67 -13.141   0.875  -1.753
  524    HA   ILE  67           HA       ILE  67 -12.092   2.321   0.256
  525    HB   ILE  67           HB       ILE  67 -10.975   2.194  -2.489
  526   1HG1  ILE  67          1HG1      ILE  67 -11.679   0.052  -0.751
  527   2HG1  ILE  67          2HG1      ILE  67 -10.612   0.009  -2.195
  528   1HG2  ILE  67          1HG2      ILE  67 -10.147   3.832  -0.697
  529   2HG2  ILE  67          2HG2      ILE  67  -9.085   2.457  -0.341
  530   3HG2  ILE  67          3HG2      ILE  67  -9.134   3.142  -1.961
  531   1HD1  ILE  67           HD2      ILE  67  -9.430   0.473   0.576
  532   2HD1  ILE  67           HD3      ILE  67  -9.990  -1.069   0.091
  533   3HD1  ILE  67           HD1      ILE  67  -8.775  -0.250  -0.915
  534    H    GLN  68           H        GLN  68 -13.259   3.429  -2.979
  535    HA   GLN  68           HA       GLN  68 -12.036   6.038  -2.798
  536   1HB   GLN  68           HB1      GLN  68 -13.907   4.680  -4.828
  537   2HB   GLN  68           HB2      GLN  68 -13.082   6.262  -5.082
  538   1HG   GLN  68           HG1      GLN  68 -12.119   3.547  -5.463
  539   2HG   GLN  68           HG2      GLN  68 -11.471   5.120  -6.050
  540   1HE2  GLN  68          1HE2      GLN  68  -9.385   5.382  -2.958
  541   2HE2  GLN  68          2HE2      GLN  68 -10.146   6.403  -4.201
  542    H    ARG  69           H        ARG  69 -15.179   4.647  -1.962
  543    HA   ARG  69           HA       ARG  69 -16.801   7.056  -2.188
  544   1HB   ARG  69           HB1      ARG  69 -17.393   4.475  -0.718
  545   2HB   ARG  69           HB2      ARG  69 -18.543   5.725  -1.184
  546   1HG   ARG  69           HG1      ARG  69 -17.311   5.012  -3.640
  547   2HG   ARG  69           HG2      ARG  69 -17.495   3.470  -2.747
  548   1HD   ARG  69           HD1      ARG  69 -19.736   5.418  -3.373
  549   2HD   ARG  69           HD2      ARG  69 -19.450   3.813  -4.078
  550    HE   ARG  69           HE       ARG  69 -19.890   2.764  -2.023
  551   1HH1  ARG  69          2HH1      ARG  69 -20.432   6.097  -1.710
  552   2HH1  ARG  69          1HH1      ARG  69 -21.845   5.839  -0.461
  553   1HH2  ARG  69          2HH2      ARG  69 -21.376   2.568  -0.522
  554   2HH2  ARG  69          1HH2      ARG  69 -22.480   4.079  -0.078
  555    H    LEU  70           H        LEU  70 -15.100   5.151   0.287
  556    HA   LEU  70           HA       LEU  70 -15.497   6.736   2.613
  557   1HB   LEU  70           HB1      LEU  70 -14.578   4.267   1.925
  558   2HB   LEU  70           HB2      LEU  70 -13.010   5.097   2.007
  559    HG   LEU  70           HG       LEU  70 -13.325   5.488   4.360
  560   1HD1  LEU  70          1HD1      LEU  70 -15.538   6.167   4.424
  561   2HD1  LEU  70          2HD1      LEU  70 -16.142   4.528   4.327
  562   3HD1  LEU  70          3HD1      LEU  70 -15.134   4.962   5.678
  563   1HD2  LEU  70          3HD2      LEU  70 -13.157   2.877   3.231
  564   2HD2  LEU  70          1HD2      LEU  70 -12.826   3.308   4.912
  565   3HD2  LEU  70          2HD2      LEU  70 -14.468   2.794   4.389
  566    H    LEU  71           H        LEU  71 -12.763   6.459   0.189
  567    HA   LEU  71           HA       LEU  71 -11.432   8.797   1.408
  568   1HB   LEU  71           HB1      LEU  71 -10.229   6.073   0.527
  569   2HB   LEU  71           HB2      LEU  71  -9.292   7.410   1.253
  570    HG   LEU  71           HG       LEU  71 -11.497   6.062   2.812
  571   1HD1  LEU  71          3HD1      LEU  71  -9.852   4.373   1.727
  572   2HD1  LEU  71          1HD1      LEU  71  -8.937   4.837   3.223
  573   3HD1  LEU  71          2HD1      LEU  71 -10.568   4.134   3.283
  574   1HD2  LEU  71          1HD2      LEU  71  -9.163   7.810   3.370
  575   2HD2  LEU  71          2HD2      LEU  71 -10.771   7.746   4.143
  576   3HD2  LEU  71          3HD2      LEU  71  -9.480   6.575   4.567
  577    HA   PRO  72           HA       PRO  72 -11.340   9.025  -3.187
  578   1HB   PRO  72           HB1      PRO  72 -12.914  11.091  -3.747
  579   2HB   PRO  72           HB2      PRO  72 -13.597   9.526  -3.172
  580   1HG   PRO  72           HG1      PRO  72 -12.956  12.088  -1.560
  581   2HG   PRO  72           HG2      PRO  72 -14.450  11.152  -1.472
  582   1HD   PRO  72           HD2      PRO  72 -12.290  10.745   0.313
  583   2HD   PRO  72           HD1      PRO  72 -13.448   9.425  -0.110
  584    H    ASN  73           H        ASN  73 -10.007  10.993  -0.911
  585    HA   ASN  73           HA       ASN  73  -8.672  12.827  -2.773
  586   1HB   ASN  73           HB1      ASN  73  -9.341  12.775   0.137
  587   2HB   ASN  73           HB2      ASN  73  -7.781  13.493  -0.266
  588   1HD2  ASN  73          1HD2      ASN  73 -10.979  15.345  -2.052
  589   2HD2  ASN  73          2HD2      ASN  73 -10.875  13.561  -2.066
  590    H    LYS  74           H        LYS  74  -8.149   9.975  -0.634
  591    HA   LYS  74           HA       LYS  74  -5.321  10.016  -0.714
  592   1HB   LYS  74           HB1      LYS  74  -7.372   7.964   0.138
  593   2HB   LYS  74           HB2      LYS  74  -5.613   7.640   0.157
  594   1HG   LYS  74           HG1      LYS  74  -6.378   8.421   2.368
  595   2HG   LYS  74           HG2      LYS  74  -5.305   9.649   1.677
  596   1HD   LYS  74           HD1      LYS  74  -7.459  10.928   1.036
  597   2HD   LYS  74           HD2      LYS  74  -8.341   9.619   1.872
  598   1HE   LYS  74           HE1      LYS  74  -7.422  10.207   4.002
  599   2HE   LYS  74           HE2      LYS  74  -6.090  11.193   3.274
  600   1HZ   LYS  74           HZ1      LYS  74  -7.836  12.656   2.430
  601   2HZ   LYS  74           HZ2      LYS  74  -8.990  11.803   3.345
  602   3HZ   LYS  74           HZ3      LYS  74  -7.722  12.622   4.172
  603    HA   PRO  75           HA       PRO  75  -4.834   7.591  -4.464
  604   1HB   PRO  75           HB1      PRO  75  -2.066   7.470  -4.497
  605   2HB   PRO  75           HB2      PRO  75  -2.995   8.850  -5.102
  606   1HG   PRO  75           HG1      PRO  75  -1.492   8.547  -2.520
  607   2HG   PRO  75           HG2      PRO  75  -1.819  10.053  -3.421
  608   1HD   PRO  75           HD2      PRO  75  -3.318   9.276  -1.083
  609   2HD   PRO  75           HD1      PRO  75  -3.894  10.437  -2.338
  610    H    VAL  76           H        VAL  76  -5.821   6.123  -2.782
  611    HA   VAL  76           HA       VAL  76  -4.548   3.649  -2.284
  612    HB   VAL  76           HB       VAL  76  -7.388   3.856  -3.238
  613   1HG1  VAL  76          3HG1      VAL  76  -5.787   1.752  -1.914
  614   2HG1  VAL  76          1HG1      VAL  76  -7.336   2.188  -1.191
  615   3HG1  VAL  76          2HG1      VAL  76  -7.212   1.677  -2.906
  616   1HG2  VAL  76          2HG2      VAL  76  -6.128   5.096  -0.822
  617   2HG2  VAL  76          3HG2      VAL  76  -7.654   5.472  -1.566
  618   3HG2  VAL  76          1HG2      VAL  76  -7.472   4.046  -0.503
  619    H    GLU  77           H        GLU  77  -3.833   2.038  -3.588
  620    HA   GLU  77           HA       GLU  77  -4.847   1.760  -6.360
  621   1HB   GLU  77           HB1      GLU  77  -2.171   2.144  -5.589
  622   2HB   GLU  77           HB2      GLU  77  -2.297   0.387  -5.752
  623   1HG   GLU  77           HG1      GLU  77  -2.221   0.507  -8.024
  624   2HG   GLU  77           HG2      GLU  77  -3.683   1.530  -8.000
  625    H    VAL  78           H        VAL  78  -4.863  -0.512  -7.122
  626    HA   VAL  78           HA       VAL  78  -4.826  -2.586  -5.036
  627    HB   VAL  78           HB       VAL  78  -6.812  -2.258  -6.700
  628   1HG1  VAL  78          2HG1      VAL  78  -5.210  -2.293  -8.755
  629   2HG1  VAL  78          3HG1      VAL  78  -5.523  -3.998  -8.724
  630   3HG1  VAL  78          1HG1      VAL  78  -6.883  -2.860  -8.691
  631   1HG2  VAL  78          2HG2      VAL  78  -5.682  -4.554  -5.310
  632   2HG2  VAL  78          3HG2      VAL  78  -7.319  -4.431  -5.895
  633   3HG2  VAL  78          1HG2      VAL  78  -6.018  -5.109  -6.936
  634    H    ILE  79           H        ILE  79  -3.324  -4.356  -5.305
  635    HA   ILE  79           HA       ILE  79  -0.828  -3.635  -6.611
  636    HB   ILE  79           HB       ILE  79  -1.233  -5.990  -4.879
  637   1HG1  ILE  79          1HG1      ILE  79  -0.169  -3.459  -3.668
  638   2HG1  ILE  79          2HG1      ILE  79  -1.920  -3.518  -3.916
  639   1HG2  ILE  79          1HG2      ILE  79   1.057  -4.768  -6.038
  640   2HG2  ILE  79          2HG2      ILE  79   1.204  -5.238  -4.305
  641   3HG2  ILE  79          3HG2      ILE  79   0.812  -6.438  -5.464
  642   1HD1  ILE  79           HD1      ILE  79  -1.418  -5.914  -2.803
  643   2HD1  ILE  79           HD2      ILE  79  -0.309  -4.924  -1.870
  644   3HD1  ILE  79           HD3      ILE  79  -1.979  -4.483  -1.887
  645    H    ASP  80           H        ASP  80   0.355  -5.426  -7.715
  646    HA   ASP  80           HA       ASP  80  -0.936  -7.506  -9.300
  647   1HB   ASP  80           HB1      ASP  80   1.877  -6.677  -8.584
  648   2HB   ASP  80           HB2      ASP  80   1.505  -7.776  -9.883
  649    H    SER  81           H        SER  81   0.212  -9.676  -9.192
  650    HA   SER  81           HA       SER  81  -0.395 -10.621  -6.477
  651   1HB   SER  81           HB1      SER  81  -2.092 -11.494  -7.841
  652   2HB   SER  81           HB2      SER  81  -1.047 -11.381  -9.283
  653    HG   SER  81           HG       SER  81  -1.489 -13.623  -8.595
  654    H    LEU  82           H        LEU  82   1.957 -10.356  -8.981
  655    HA   LEU  82           HA       LEU  82   3.696 -12.525  -8.024
  656   1HB   LEU  82           HB1      LEU  82   3.302 -10.684 -10.431
  657   2HB   LEU  82           HB2      LEU  82   4.989 -11.169 -10.092
  658    HG   LEU  82           HG       LEU  82   3.231 -12.441 -11.696
  659   1HD1  LEU  82          3HD1      LEU  82   5.805 -13.243 -10.515
  660   2HD1  LEU  82          1HD1      LEU  82   4.830 -14.416 -11.452
  661   3HD1  LEU  82          2HD1      LEU  82   5.439 -12.945 -12.194
  662   1HD2  LEU  82          1HD2      LEU  82   2.040 -13.108  -9.551
  663   2HD2  LEU  82          2HD2      LEU  82   2.389 -14.440 -10.681
  664   3HD2  LEU  82          3HD2      LEU  82   3.390 -14.219  -9.261
  665    H    LEU  83           H        LEU  83   3.732  -8.921  -8.585
  666    HA   LEU  83           HA       LEU  83   6.175  -8.546  -7.207
  667    HB   LEU  83           HB2      LEU  83   4.458  -7.024  -8.871
  668   1HB   LEU  83           HB1      LEU  83   5.924  -6.392  -8.082
  669    HG   LEU  83           HG       LEU  83   3.212  -5.478  -7.938
  670   1HD1  LEU  83          3HD1      LEU  83   2.654  -6.561  -5.954
  671   2HD1  LEU  83          1HD1      LEU  83   4.152  -6.016  -5.163
  672   3HD1  LEU  83          2HD1      LEU  83   2.923  -4.869  -5.583
  673   1HD2  LEU  83          2HD2      LEU  83   5.876  -4.453  -6.924
  674   2HD2  LEU  83          3HD2      LEU  83   5.045  -4.021  -8.397
  675   3HD2  LEU  83          1HD2      LEU  83   4.355  -3.594  -6.813
  676    H    TYR  84           H        TYR  84   2.642  -8.470  -6.221
  677    HA   TYR  84           HA       TYR  84   2.727  -8.087  -3.544
  678   1HB   TYR  84           HB1      TYR  84   0.735  -8.537  -5.020
  679   2HB   TYR  84           HB2      TYR  84   1.131 -10.277  -4.945
  680    HD1  TYR  84           HD1      TYR  84   1.333  -7.739  -2.232
  681    HD2  TYR  84           HD2      TYR  84  -0.667 -11.190  -3.796
  682    HE1  TYR  84           HE1      TYR  84  -0.037  -7.838  -0.115
  683    HE2  TYR  84           HE2      TYR  84  -2.187 -11.234  -1.768
  684    HH   TYR  84           HH       TYR  84  -2.137 -10.789   0.409
  685    H    GLY  85           H        GLY  85   2.558 -11.512  -4.773
  686   1HA   GLY  85           HA1      GLY  85   3.520 -12.582  -2.271
  687   2HA   GLY  85           HA2      GLY  85   3.034 -13.411  -3.793
  688    H    LYS  86           H        LYS  86   5.305 -11.453  -5.068
  689    HA   LYS  86           HA       LYS  86   7.636 -12.725  -3.665
  690   1HB   LYS  86           HB1      LYS  86   8.255 -11.482  -6.305
  691   2HB   LYS  86           HB2      LYS  86   8.856 -12.956  -5.473
  692   1HG   LYS  86           HG1      LYS  86   6.136 -13.506  -6.035
  693   2HG   LYS  86           HG2      LYS  86   6.799 -12.711  -7.485
  694   1HD   LYS  86           HD1      LYS  86   7.577 -14.713  -8.126
  695   2HD   LYS  86           HD2      LYS  86   8.723 -14.596  -6.787
  696   1HE   LYS  86           HE1      LYS  86   6.535 -15.423  -5.357
  697   2HE   LYS  86           HE2      LYS  86   6.112 -16.098  -6.953
  698   1HZ   LYS  86           HZ1      LYS  86   8.393 -17.074  -6.924
  699   2HZ   LYS  86           HZ2      LYS  86   8.560 -16.577  -5.308
  700   3HZ   LYS  86           HZ3      LYS  86   7.366 -17.730  -5.746
  701    H    VAL  87           H        VAL  87   5.892 -10.007  -3.476
  702    HA   VAL  87           HA       VAL  87   6.132  -8.393  -1.957
  703    HB   VAL  87           HB       VAL  87   7.405  -8.936  -0.121
  704   1HG1  VAL  87          2HG1      VAL  87   5.735 -10.715  -1.050
  705   2HG1  VAL  87          3HG1      VAL  87   7.167 -11.690  -1.184
  706   3HG1  VAL  87          1HG1      VAL  87   6.766 -10.946   0.393
  707   1HG2  VAL  87          2HG2      VAL  87   9.616  -9.367  -1.903
  708   2HG2  VAL  87          3HG2      VAL  87   9.610  -9.531  -0.161
  709   3HG2  VAL  87          1HG2      VAL  87   9.190 -10.925  -1.197
  710    H    ASP  88           H        ASP  88   7.125  -7.507  -4.444
  711    HA   ASP  88           HA       ASP  88   9.955  -6.832  -4.454
  712   1HB   ASP  88           HB1      ASP  88   9.054  -7.791  -6.410
  713   2HB   ASP  88           HB2      ASP  88   7.789  -6.564  -6.576
  714    H    GLY  89           H        GLY  89   9.806  -5.466  -2.573
  715   1HA   GLY  89           HA1      GLY  89   8.742  -3.070  -2.117
  716   2HA   GLY  89           HA2      GLY  89  10.459  -3.436  -1.813
  717    H    LEU  90           H        LEU  90  11.917  -3.070  -3.911
  718    HA   LEU  90           HA       LEU  90  12.209  -0.404  -4.222
  719   1HB   LEU  90           HB1      LEU  90  12.990  -2.949  -5.745
  720   2HB   LEU  90           HB2      LEU  90  13.226  -1.467  -6.681
  721    HG   LEU  90           HG       LEU  90  14.978  -2.691  -4.878
  722   1HD1  LEU  90          1HD1      LEU  90  15.429  -1.518  -6.971
  723   2HD1  LEU  90          2HD1      LEU  90  15.384   0.031  -6.101
  724   3HD1  LEU  90          3HD1      LEU  90  16.560  -1.170  -5.628
  725   1HD2  LEU  90          3HD2      LEU  90  13.742  -1.442  -3.017
  726   2HD2  LEU  90          1HD2      LEU  90  15.394  -0.885  -3.248
  727   3HD2  LEU  90          2HD2      LEU  90  14.042   0.032  -3.937
  728    H    GLY  91           H        GLY  91  10.019  -2.585  -6.062
  729   1HA   GLY  91           HA1      GLY  91   8.939  -0.607  -7.894
  730   2HA   GLY  91           HA2      GLY  91   8.377  -2.282  -7.539
  731    H    VAL  92           H        VAL  92   7.863  -2.083  -4.736
  732    HA   VAL  92           HA       VAL  92   5.282  -0.826  -4.869
  733    HB   VAL  92           HB       VAL  92   6.285  -2.282  -2.509
  734   1HG1  VAL  92          3HG1      VAL  92   4.102  -0.843  -2.577
  735   2HG1  VAL  92          1HG1      VAL  92   3.621  -2.277  -3.480
  736   3HG1  VAL  92          2HG1      VAL  92   4.216  -2.387  -1.778
  737   1HG2  VAL  92          3HG2      VAL  92   5.917  -3.340  -5.194
  738   2HG2  VAL  92          1HG2      VAL  92   6.292  -4.198  -3.676
  739   3HG2  VAL  92          2HG2      VAL  92   4.647  -3.883  -4.205
  740    H    LEU  93           H        LEU  93   8.448  -0.071  -3.445
  741    HA   LEU  93           HA       LEU  93   7.917   2.311  -2.120
  742   1HB   LEU  93           HB1      LEU  93  10.061   0.748  -2.641
  743   2HB   LEU  93           HB2      LEU  93  10.332   1.900  -4.002
  744    HG   LEU  93           HG       LEU  93  11.789   2.463  -2.329
  745   1HD1  LEU  93          1HD1      LEU  93  10.711   4.377  -3.315
  746   2HD1  LEU  93          2HD1      LEU  93   9.924   4.731  -1.796
  747   3HD1  LEU  93          3HD1      LEU  93  11.646   4.553  -1.800
  748   1HD2  LEU  93          2HD2      LEU  93  10.508   1.125  -0.534
  749   2HD2  LEU  93          3HD2      LEU  93  11.248   2.596   0.066
  750   3HD2  LEU  93          1HD2      LEU  93   9.524   2.575  -0.272
  751    H    LYS  94           H        LYS  94   9.320   2.294  -5.556
  752    HA   LYS  94           HA       LYS  94   8.814   4.894  -6.145
  753   1HB   LYS  94           HB1      LYS  94   9.164   4.267  -8.445
  754   2HB   LYS  94           HB2      LYS  94  10.273   3.385  -7.356
  755   1HG   LYS  94           HG1      LYS  94   8.615   1.601  -7.208
  756   2HG   LYS  94           HG2      LYS  94   7.570   2.465  -8.355
  757   1HD   LYS  94           HD1      LYS  94  10.307   1.331  -9.088
  758   2HD   LYS  94           HD2      LYS  94   8.736   0.637  -9.560
  759   1HE   LYS  94           HE1      LYS  94   8.160   2.936 -10.521
  760   2HE   LYS  94           HE2      LYS  94   9.887   3.357 -10.339
  761   1HZ   LYS  94           HZ1      LYS  94  10.385   1.324 -11.624
  762   2HZ   LYS  94           HZ2      LYS  94   8.718   1.122 -11.898
  763   3HZ   LYS  94           HZ3      LYS  94   9.529   2.498 -12.530
  764    H    ALA  95           H        ALA  95   6.681   2.157  -6.160
  765    HA   ALA  95           HA       ALA  95   4.871   3.154  -8.125
  766   1HB   ALA  95           HB3      ALA  95   5.418   0.688  -7.701
  767   2HB   ALA  95           HB1      ALA  95   4.407   0.786  -6.273
  768   3HB   ALA  95           HB2      ALA  95   3.696   1.047  -7.877
  769    H    ALA  96           H        ALA  96   4.911   2.755  -4.548
  770    HA   ALA  96           HA       ALA  96   2.488   4.016  -3.888
  771   1HB   ALA  96           HB3      ALA  96   5.064   3.552  -2.458
  772   2HB   ALA  96           HB1      ALA  96   4.051   4.872  -1.867
  773   3HB   ALA  96           HB2      ALA  96   3.410   3.236  -1.940
  774    H    VAL  97           H        VAL  97   5.805   5.447  -4.285
  775    HA   VAL  97           HA       VAL  97   5.404   8.109  -4.343
  776    HB   VAL  97           HB       VAL  97   7.182   6.334  -5.911
  777   1HG1  VAL  97          2HG1      VAL  97   6.745   9.163  -6.623
  778   2HG1  VAL  97          3HG1      VAL  97   8.358   8.548  -6.692
  779   3HG1  VAL  97          1HG1      VAL  97   7.094   7.719  -7.602
  780   1HG2  VAL  97          3HG2      VAL  97   7.383   8.264  -3.627
  781   2HG2  VAL  97          1HG2      VAL  97   8.105   6.647  -3.832
  782   3HG2  VAL  97          2HG2      VAL  97   8.809   8.051  -4.620
  783    H    ALA  98           H        ALA  98   4.927   5.843  -7.099
  784    HA   ALA  98           HA       ALA  98   4.567   7.671  -9.139
  785   1HB   ALA  98           HB2      ALA  98   3.971   4.747  -8.732
  786   2HB   ALA  98           HB3      ALA  98   3.253   5.520 -10.128
  787   3HB   ALA  98           HB1      ALA  98   5.017   5.540  -9.938
  788    H    ALA  99           H        ALA  99   2.227   6.242  -6.888
  789    HA   ALA  99           HA       ALA  99  -0.201   7.115  -8.085
  790   1HB   ALA  99           HB2      ALA  99   0.326   5.383  -6.070
  791   2HB   ALA  99           HB3      ALA  99  -0.109   6.804  -5.139
  792   3HB   ALA  99           HB1      ALA  99  -1.247   6.154  -6.325
  793    H    ILE 100           H        ILE 100   2.101   8.533  -5.700
  794    HA   ILE 100           HA       ILE 100   0.241  10.198  -4.366
  795    HB   ILE 100           HB       ILE 100   1.716  10.041  -2.843
  796   1HG1  ILE 100          1HG1      ILE 100   3.639  11.685  -4.597
  797   2HG1  ILE 100          2HG1      ILE 100   2.307  12.448  -3.670
  798   1HG2  ILE 100          3HG2      ILE 100   2.874   8.162  -4.022
  799   2HG2  ILE 100          1HG2      ILE 100   4.039   9.419  -4.494
  800   3HG2  ILE 100          2HG2      ILE 100   3.729   9.032  -2.785
  801   1HD1  ILE 100           HD3      ILE 100   3.469  11.514  -1.554
  802   2HD1  ILE 100           HD1      ILE 100   4.764  11.072  -2.741
  803   3HD1  ILE 100           HD2      ILE 100   4.384  12.745  -2.354
  804    H    LYS 101           H        LYS 101   2.052  10.295  -7.300
  805    HA   LYS 101           HA       LYS 101   1.751  13.233  -7.588
  806   1HB   LYS 101           HB1      LYS 101   3.981  11.813  -7.971
  807   2HB   LYS 101           HB2      LYS 101   3.319  11.791  -9.628
  808   1HG   LYS 101           HG1      LYS 101   2.868  14.449  -8.703
  809   2HG   LYS 101           HG2      LYS 101   4.511  14.023  -8.182
  810   1HD   LYS 101           HD1      LYS 101   4.413  15.162 -10.396
  811   2HD   LYS 101           HD2      LYS 101   5.170  13.563 -10.481
  812   1HE   LYS 101           HE1      LYS 101   3.442  12.725 -11.803
  813   2HE   LYS 101           HE2      LYS 101   2.193  13.512 -10.792
  814   1HZ   LYS 101           HZ1      LYS 101   2.801  15.594 -11.883
  815   2HZ   LYS 101           HZ2      LYS 101   3.840  14.729 -12.934
  816   3HZ   LYS 101           HZ3      LYS 101   2.163  14.442 -12.983
  817    H    LYS 102           H        LYS 102   0.544  10.134  -9.007
  818    HA   LYS 102           HA       LYS 102  -1.097  11.622 -10.890
  819   1HB   LYS 102           HB1      LYS 102  -0.268   9.128 -11.073
  820   2HB   LYS 102           HB2      LYS 102  -1.642   8.760 -10.023
  821   1HG   LYS 102           HG1      LYS 102  -2.939   8.738 -11.870
  822   2HG   LYS 102           HG2      LYS 102  -2.718  10.492 -12.024
  823   1HD   LYS 102           HD1      LYS 102  -1.735  10.154 -14.009
  824   2HD   LYS 102           HD2      LYS 102  -0.400   9.295 -13.201
  825   1HE   LYS 102           HE1      LYS 102  -1.298   7.183 -13.629
  826   2HE   LYS 102           HE2      LYS 102  -2.985   7.758 -13.637
  827   1HZ   LYS 102           HZ1      LYS 102  -2.460   8.950 -15.699
  828   2HZ   LYS 102           HZ2      LYS 102  -0.951   8.170 -15.732
  829   3HZ   LYS 102           HZ3      LYS 102  -2.367   7.229 -15.846
  830    H    ALA 103           H        ALA 103  -1.107  11.711  -7.661
  831    HA   ALA 103           HA       ALA 103  -3.850  11.172  -7.037
  832   1HB   ALA 103           HB1      ALA 103  -1.474  12.143  -5.467
  833   2HB   ALA 103           HB2      ALA 103  -3.107  12.163  -4.761
  834   3HB   ALA 103           HB3      ALA 103  -2.379  10.634  -5.253
  835    H    ALA 104           H        ALA 104  -1.679  13.937  -7.548
  836    HA   ALA 104           HA       ALA 104  -1.847  16.138  -7.527
  837   1HB   ALA 104           HB3      ALA 104  -4.187  15.440  -8.739
  838   2HB   ALA 104           HB1      ALA 104  -4.795  16.399  -7.383
  839   3HB   ALA 104           HB2      ALA 104  -3.651  17.099  -8.552
  840    H    ALA 105           H        ALA 105  -3.650  17.952  -6.286
  841    HA   ALA 105           HA       ALA 105  -4.890  17.149  -3.936
  842   1HB   ALA 105           HB3      ALA 105  -2.352  16.992  -3.324
  843   2HB   ALA 105           HB1      ALA 105  -2.435  18.747  -3.197
  844   3HB   ALA 105           HB2      ALA 105  -3.460  17.734  -2.169
  845    H    ASN 106           H        ASN 106  -2.803  19.854  -5.108
  846    HA   ASN 106           HA       ASN 106  -4.608  21.445  -6.254
  847   1HB   ASN 106           HB1      ASN 106  -5.465  21.548  -3.688
  848   2HB   ASN 106           HB2      ASN 106  -4.318  22.925  -3.657
  849   1HD2  ASN 106          1HD2      ASN 106  -7.746  24.114  -4.703
  850   2HD2  ASN 106          2HD2      ASN 106  -7.236  23.087  -3.333
   
  No H/Q in entry =         850
  Start of MODEL    8
    1    H    MET   1           H        MET   1  10.035   9.364  13.695
    2    HA   MET   1           HA       MET   1  12.155  10.037  11.931
    3   1HB   MET   1           HB1      MET   1  12.376   7.537  12.093
    4   2HB   MET   1           HB2      MET   1  10.744   7.380  11.379
    5   1HG   MET   1           HG1      MET   1  13.050   7.306   9.950
    6   2HG   MET   1           HG2      MET   1  11.505   7.847   9.296
    7   1HE   MET   1           HE1      MET   1  14.399   8.961  11.395
    8   2HE   MET   1           HE2      MET   1  15.263   8.885   9.808
    9   3HE   MET   1           HE3      MET   1  15.095  10.393  10.663
   10    H    GLU   2           H        GLU   2   8.988   8.283  11.668
   11    HA   GLU   2           HA       GLU   2   6.919   8.908  11.240
   12   1HB   GLU   2           HB1      GLU   2   7.424  10.560  13.063
   13   2HB   GLU   2           HB2      GLU   2   7.738  11.805  11.859
   14   1HG   GLU   2           HG1      GLU   2   5.406  11.833  12.790
   15   2HG   GLU   2           HG2      GLU   2   5.397  11.585  11.018
   16    H    LYS   3           H        LYS   3   8.292   8.523   8.880
   17    HA   LYS   3           HA       LYS   3   7.514  10.731   7.064
   18   1HB   LYS   3           HB1      LYS   3   9.018   8.253   6.215
   19   2HB   LYS   3           HB2      LYS   3   8.833   9.859   5.446
   20   1HG   LYS   3           HG1      LYS   3  10.272   9.239   8.070
   21   2HG   LYS   3           HG2      LYS   3  11.008   9.771   6.539
   22   1HD   LYS   3           HD1      LYS   3   9.274  11.333   8.490
   23   2HD   LYS   3           HD2      LYS   3  10.935  11.729   7.906
   24   1HE   LYS   3           HE1      LYS   3  10.228  12.484   5.808
   25   2HE   LYS   3           HE2      LYS   3   8.635  11.713   5.915
   26   1HZ   LYS   3           HZ1      LYS   3   8.201  13.193   7.811
   27   2HZ   LYS   3           HZ2      LYS   3   9.659  13.966   7.503
   28   3HZ   LYS   3           HZ3      LYS   3   8.422  14.029   6.337
   29    H    LYS   4           H        LYS   4   6.644  10.098   4.880
   30    HA   LYS   4           HA       LYS   4   3.944   9.901   5.360
   31   1HB   LYS   4           HB1      LYS   4   5.588   9.848   2.899
   32   2HB   LYS   4           HB2      LYS   4   3.963   9.158   2.756
   33   1HG   LYS   4           HG1      LYS   4   4.416  11.758   2.411
   34   2HG   LYS   4           HG2      LYS   4   2.959  11.239   3.271
   35   1HD   LYS   4           HD1      LYS   4   5.485  11.727   4.853
   36   2HD   LYS   4           HD2      LYS   4   4.718  13.166   4.114
   37   1HE   LYS   4           HE1      LYS   4   3.818  11.496   6.478
   38   2HE   LYS   4           HE2      LYS   4   3.472  13.214   6.089
   39   1HZ   LYS   4           HZ1      LYS   4   1.900  12.370   4.431
   40   2HZ   LYS   4           HZ2      LYS   4   2.151  10.784   5.014
   41   3HZ   LYS   4           HZ3      LYS   4   1.484  11.979   6.043
   42    H    HIS   5           H        HIS   5   2.291   8.524   5.235
   43    HA   HIS   5           HA       HIS   5   2.970   5.755   5.812
   44   1HB   HIS   5           HB1      HIS   5   0.246   7.055   6.086
   45   2HB   HIS   5           HB2      HIS   5   0.740   5.513   6.760
   46    HD1  HIS   5           HD1      HIS   5  -0.118   7.341   8.980
   47    HD2  HIS   5           HD2      HIS   5   3.770   7.445   7.477
   48    HE1  HIS   5           HE1      HIS   5   1.274   8.950  10.515
   49    H    ILE   6           H        ILE   6   3.313   4.576   4.025
   50    HA   ILE   6           HA       ILE   6   1.195   4.151   2.038
   51    HB   ILE   6           HB       ILE   6   3.952   3.183   2.251
   52   1HG1  ILE   6          1HG1      ILE   6   2.464   4.204  -0.158
   53   2HG1  ILE   6          2HG1      ILE   6   3.074   5.346   1.081
   54   1HG2  ILE   6          3HG2      ILE   6   2.310   1.196   1.862
   55   2HG2  ILE   6          1HG2      ILE   6   2.288   1.888   0.248
   56   3HG2  ILE   6          2HG2      ILE   6   3.825   1.391   1.017
   57   1HD1  ILE   6           HD1      ILE   6   5.261   4.268   0.721
   58   2HD1  ILE   6           HD2      ILE   6   4.694   3.461  -0.738
   59   3HD1  ILE   6           HD3      ILE   6   4.665   5.203  -0.727
   60    H    TYR   7           H        TYR   7  -0.320   2.543   2.216
   61    HA   TYR   7           HA       TYR   7  -0.252   0.664   4.454
   62   1HB   TYR   7           HB1      TYR   7  -2.478   2.644   3.877
   63   2HB   TYR   7           HB2      TYR   7  -2.673   1.155   4.886
   64    HD1  TYR   7           HD1      TYR   7   0.323   1.565   6.005
   65    HD2  TYR   7           HD2      TYR   7  -3.352   3.842   5.803
   66    HE1  TYR   7           HE1      TYR   7   1.127   3.023   7.894
   67    HE2  TYR   7           HE2      TYR   7  -2.434   5.421   7.561
   68    HH   TYR   7           HH       TYR   7  -1.223   5.334   9.439
   69    H    LEU   8           H        LEU   8  -1.452  -1.256   4.191
   70    HA   LEU   8           HA       LEU   8  -1.992  -1.953   1.356
   71   1HB   LEU   8           HB1      LEU   8  -0.190  -3.419   3.372
   72   2HB   LEU   8           HB2      LEU   8  -0.751  -4.133   1.856
   73    HG   LEU   8           HG       LEU   8   0.960  -1.704   2.092
   74   1HD1  LEU   8          1HD1      LEU   8   1.897  -4.235   2.305
   75   2HD1  LEU   8          2HD1      LEU   8   2.279  -3.850   0.634
   76   3HD1  LEU   8          3HD1      LEU   8   2.809  -2.771   1.882
   77   1HD2  LEU   8          2HD2      LEU   8  -0.409  -3.117  -0.187
   78   2HD2  LEU   8          3HD2      LEU   8  -0.545  -1.442   0.265
   79   3HD2  LEU   8          1HD2      LEU   8   0.960  -2.044  -0.453
   80    H    PHE   9           H        PHE   9  -4.154  -2.482   1.272
   81    HA   PHE   9           HA       PHE   9  -5.554  -3.595   3.557
   82   1HB   PHE   9           HB1      PHE   9  -6.246  -1.794   1.234
   83   2HB   PHE   9           HB2      PHE   9  -7.423  -2.194   2.529
   84    HD1  PHE   9           HD2      PHE   9  -5.234  -2.016   4.775
   85    HD2  PHE   9           HD1      PHE   9  -5.995   0.512   1.400
   86    HE1  PHE   9           HE2      PHE   9  -5.145   0.012   6.303
   87    HE2  PHE   9           HE1      PHE   9  -5.860   2.525   2.929
   88    HZ   PHE   9           HZ       PHE   9  -4.720   2.196   5.143
   89    H    SER  10           H        SER  10  -4.664  -5.777   2.756
   90    HA   SER  10           HA       SER  10  -6.154  -6.877   0.713
   91    HB   SER  10           HB1      SER  10  -4.346  -5.638  -0.607
   92   2HB   SER  10           HB2      SER  10  -3.192  -6.177   0.662
   93    HG   SER  10           HG       SER  10  -2.921  -7.322  -1.335
   94    H    SER  11           H        SER  11  -4.967  -9.134  -0.001
   95    HA   SER  11           HA       SER  11  -2.947 -10.234   0.105
   96    HB   SER  11           HB2      SER  11  -2.914  -9.171   2.899
   97   2HB   SER  11           HB1      SER  11  -1.959  -8.816   1.437
   98    HG   SER  11           HG       SER  11  -0.709 -10.102   2.877
   99    H    ALA  12           H        ALA  12  -4.877 -11.063   3.090
  100    HA   ALA  12           HA       ALA  12  -5.695 -13.315   3.423
  101   1HB   ALA  12           HB3      ALA  12  -3.327 -13.984   1.618
  102   2HB   ALA  12           HB1      ALA  12  -3.849 -15.188   2.794
  103   3HB   ALA  12           HB2      ALA  12  -4.987 -14.602   1.602
  104    H    GLY  13           H        GLY  13  -2.204 -13.936   3.399
  105   1HA   GLY  13           HA1      GLY  13  -2.069 -13.640   6.368
  106   2HA   GLY  13           HA2      GLY  13  -1.139 -14.845   5.413
  107    H    MET  14           H        MET  14   0.716 -14.196   4.224
  108    HA   MET  14           HA       MET  14   1.832 -11.541   4.838
  109   1HB   MET  14           HB1      MET  14   3.971 -12.505   5.440
  110   2HB   MET  14           HB2      MET  14   2.649 -12.887   6.604
  111   1HG   MET  14           HG1      MET  14   2.730 -14.945   4.649
  112   2HG   MET  14           HG2      MET  14   4.402 -14.690   5.170
  113   1HE   MET  14           HE1      MET  14   5.221 -16.464   6.616
  114   2HE   MET  14           HE2      MET  14   5.250 -15.050   7.685
  115   3HE   MET  14           HE3      MET  14   4.727 -16.622   8.311
  116    H    SER  15           H        SER  15   1.218 -11.766   2.258
  117    HA   SER  15           HA       SER  15   3.983 -11.285   1.285
  118   1HB   SER  15           HB1      SER  15   2.111 -11.573  -0.908
  119   2HB   SER  15           HB2      SER  15   3.683 -12.368  -0.672
  120    HG   SER  15           HG       SER  15   1.878 -13.891  -0.794
  121    H    THR  16           H        THR  16   1.757 -10.000   2.830
  122    HA   THR  16           HA       THR  16   1.940  -7.373   1.544
  123    HB   THR  16           HB       THR  16   0.671  -7.037   3.996
  124    HG1  THR  16           HG1      THR  16  -1.247  -8.453   3.623
  125   1HG2  THR  16          1HG2      THR  16   0.453  -5.938   1.715
  126   2HG2  THR  16          2HG2      THR  16  -1.051  -6.853   1.666
  127   3HG2  THR  16          3HG2      THR  16  -0.718  -5.799   3.021
  128    H    SER  17           H        SER  17   2.384  -9.063   4.742
  129    HA   SER  17           HA       SER  17   3.184  -6.733   6.080
  130   1HB   SER  17           HB1      SER  17   3.966  -9.319   7.299
  131   2HB   SER  17           HB2      SER  17   2.916  -8.029   7.927
  132    HG   SER  17           HG       SER  17   1.810 -10.040   7.525
  133    H    LEU  18           H        LEU  18   5.038  -9.219   4.337
  134    HA   LEU  18           HA       LEU  18   7.621  -8.348   5.363
  135   1HB   LEU  18           HB1      LEU  18   6.342 -10.738   4.016
  136   2HB   LEU  18           HB2      LEU  18   7.870 -10.284   3.232
  137    HG   LEU  18           HG       LEU  18   7.775 -12.148   5.033
  138   1HD1  LEU  18          2HD1      LEU  18  10.075 -10.354   4.440
  139   2HD1  LEU  18          3HD1      LEU  18  10.136 -11.672   5.610
  140   3HD1  LEU  18          1HD1      LEU  18   9.585 -11.944   3.921
  141   1HD2  LEU  18          3HD2      LEU  18   7.444  -9.704   6.748
  142   2HD2  LEU  18          1HD2      LEU  18   7.153 -11.415   7.066
  143   3HD2  LEU  18          2HD2      LEU  18   8.797 -10.763   7.165
  144    H    LEU  19           H        LEU  19   5.343  -7.776   2.780
  145    HA   LEU  19           HA       LEU  19   7.306  -6.755   0.945
  146   1HB   LEU  19           HB1      LEU  19   5.526  -7.587  -0.376
  147   2HB   LEU  19           HB2      LEU  19   4.525  -7.798   1.060
  148    HG   LEU  19           HG       LEU  19   3.185  -6.018   0.533
  149   1HD1  LEU  19          2HD1      LEU  19   5.439  -4.358  -0.418
  150   2HD1  LEU  19          3HD1      LEU  19   3.787  -4.131  -0.916
  151   3HD1  LEU  19          1HD1      LEU  19   4.165  -4.194   0.829
  152   1HD2  LEU  19          3HD2      LEU  19   4.479  -6.739  -2.168
  153   2HD2  LEU  19          1HD2      LEU  19   3.111  -7.518  -1.405
  154   3HD2  LEU  19          2HD2      LEU  19   2.995  -5.817  -1.934
  155    H    VAL  20           H        VAL  20   4.916  -5.554   3.425
  156    HA   VAL  20           HA       VAL  20   5.523  -2.702   3.190
  157    HB   VAL  20           HB       VAL  20   4.747  -4.377   5.582
  158   1HG1  VAL  20          2HG1      VAL  20   5.229  -1.596   5.546
  159   2HG1  VAL  20          3HG1      VAL  20   3.531  -1.854   5.868
  160   3HG1  VAL  20          1HG1      VAL  20   4.719  -2.746   6.832
  161   1HG2  VAL  20          2HG2      VAL  20   2.928  -4.691   3.854
  162   2HG2  VAL  20          3HG2      VAL  20   2.413  -3.746   5.247
  163   3HG2  VAL  20          1HG2      VAL  20   2.841  -2.931   3.759
  164    H    SER  21           H        SER  21   6.855  -5.625   4.789
  165    HA   SER  21           HA       SER  21   8.731  -4.077   6.314
  166   1HB   SER  21           HB1      SER  21   8.251  -5.817   7.739
  167   2HB   SER  21           HB2      SER  21   7.501  -6.736   6.421
  168    HG   SER  21           HG       SER  21   9.453  -7.725   7.412
  169    H    LYS  22           H        LYS  22   8.667  -5.624   3.207
  170    HA   LYS  22           HA       LYS  22  11.581  -5.445   2.982
  171   1HB   LYS  22           HB1      LYS  22  10.347  -7.348   1.873
  172   2HB   LYS  22           HB2      LYS  22   9.664  -6.172   0.735
  173   1HG   LYS  22           HG1      LYS  22  12.082  -5.404   0.300
  174   2HG   LYS  22           HG2      LYS  22  12.607  -6.856   1.186
  175   1HD   LYS  22           HD1      LYS  22  10.769  -7.043  -1.206
  176   2HD   LYS  22           HD2      LYS  22  12.526  -6.957  -1.391
  177   1HE   LYS  22           HE1      LYS  22  11.387  -8.894   0.647
  178   2HE   LYS  22           HE2      LYS  22  11.303  -9.349  -1.089
  179   1HZ   LYS  22           HZ1      LYS  22  13.686  -8.886  -1.240
  180   2HZ   LYS  22           HZ2      LYS  22  13.722  -8.643   0.457
  181   3HZ   LYS  22           HZ3      LYS  22  13.303 -10.182  -0.151
  182    H    MET  23           H        MET  23   8.592  -3.734   2.063
  183    HA   MET  23           HA       MET  23   9.706  -1.760   0.437
  184   1HB   MET  23           HB1      MET  23   7.167  -2.131   2.037
  185   2HB   MET  23           HB2      MET  23   7.543  -0.504   1.444
  186   1HG   MET  23           HG1      MET  23   8.059  -1.722  -0.826
  187   2HG   MET  23           HG2      MET  23   6.995  -2.986  -0.164
  188   1HE   MET  23           HE1      MET  23   7.428   0.592  -1.119
  189   2HE   MET  23           HE2      MET  23   5.784   1.318  -1.280
  190   3HE   MET  23           HE3      MET  23   6.492   1.056   0.305
  191    H    ARG  24           H        ARG  24   9.268  -2.320   3.939
  192    HA   ARG  24           HA       ARG  24  10.195   0.140   4.992
  193   1HB   ARG  24           HB1      ARG  24   9.892  -2.650   6.051
  194   2HB   ARG  24           HB2      ARG  24  10.635  -1.383   7.065
  195   1HG   ARG  24           HG1      ARG  24   8.620  -0.083   7.099
  196   2HG   ARG  24           HG2      ARG  24   7.882  -1.010   5.752
  197   1HD   ARG  24           HD1      ARG  24   7.518  -2.906   7.189
  198   2HD   ARG  24           HD2      ARG  24   8.546  -2.166   8.480
  199    HE   ARG  24           HE       ARG  24   6.361  -0.474   7.701
  200   1HH1  ARG  24          2HH1      ARG  24   7.252  -2.958   9.835
  201   2HH1  ARG  24          1HH1      ARG  24   5.578  -2.899  10.733
  202   1HH2  ARG  24          2HH2      ARG  24   4.738  -0.175   9.055
  203   2HH2  ARG  24          1HH2      ARG  24   4.416  -1.406  10.448
  204    H    ALA  25           H        ALA  25  11.816  -3.092   4.684
  205    HA   ALA  25           HA       ALA  25  14.417  -2.549   5.078
  206   1HB   ALA  25           HB1      ALA  25  13.155  -4.682   4.016
  207   2HB   ALA  25           HB2      ALA  25  13.721  -3.964   2.481
  208   3HB   ALA  25           HB3      ALA  25  14.873  -4.457   3.728
  209    H    GLN  26           H        GLN  26  13.123  -2.330   1.713
  210    HA   GLN  26           HA       GLN  26  14.417  -0.686   0.238
  211   1HB   GLN  26           HB1      GLN  26  11.639  -1.091   0.952
  212   2HB   GLN  26           HB2      GLN  26  11.848   0.660   0.760
  213   1HG   GLN  26           HG1      GLN  26  10.930  -0.546  -1.184
  214   2HG   GLN  26           HG2      GLN  26  12.429   0.358  -1.572
  215   1HE2  GLN  26          1HE2      GLN  26  12.323  -3.763  -1.386
  216   2HE2  GLN  26          2HE2      GLN  26  11.444  -2.807  -0.176
  217    H    ALA  27           H        ALA  27  12.637   0.569   3.120
  218    HA   ALA  27           HA       ALA  27  13.332   3.291   2.552
  219   1HB   ALA  27           HB3      ALA  27  11.588   1.761   4.474
  220   2HB   ALA  27           HB1      ALA  27  12.106   3.340   5.063
  221   3HB   ALA  27           HB2      ALA  27  11.219   3.188   3.540
  222    H    GLU  28           H        GLU  28  13.724   1.725   5.820
  223    HA   GLU  28           HA       GLU  28  15.881   2.859   6.881
  224   1HB   GLU  28           HB1      GLU  28  15.026  -0.033   6.757
  225   2HB   GLU  28           HB2      GLU  28  16.496   0.457   7.662
  226   1HG   GLU  28           HG1      GLU  28  14.113   0.348   8.788
  227   2HG   GLU  28           HG2      GLU  28  15.300   1.594   9.256
  228    H    LYS  29           H        LYS  29  15.991   0.368   4.208
  229    HA   LYS  29           HA       LYS  29  18.623  -0.008   3.645
  230   1HB   LYS  29           HB1      LYS  29  16.836  -1.027   2.479
  231   2HB   LYS  29           HB2      LYS  29  16.400   0.549   1.745
  232   1HG   LYS  29           HG1      LYS  29  18.227   0.616   0.365
  233   2HG   LYS  29           HG2      LYS  29  19.228  -0.387   1.477
  234   1HD   LYS  29           HD1      LYS  29  18.635  -1.465  -0.819
  235   2HD   LYS  29           HD2      LYS  29  18.363  -2.431   0.641
  236   1HE   LYS  29           HE1      LYS  29  15.989  -2.071   0.590
  237   2HE   LYS  29           HE2      LYS  29  16.130  -0.745  -0.624
  238   1HZ   LYS  29           HZ1      LYS  29  17.089  -2.341  -2.144
  239   2HZ   LYS  29           HZ2      LYS  29  16.703  -3.587  -1.065
  240   3HZ   LYS  29           HZ3      LYS  29  15.428  -2.675  -1.739
  241    H    TYR  30           H        TYR  30  16.616   2.832   2.653
  242    HA   TYR  30           HA       TYR  30  18.797   3.919   1.049
  243   1HB   TYR  30           HB1      TYR  30  15.787   3.674   0.852
  244   2HB   TYR  30           HB2      TYR  30  16.615   4.915  -0.075
  245    HD1  TYR  30           HD2      TYR  30  19.137   3.436  -0.821
  246    HD2  TYR  30           HD1      TYR  30  15.096   1.968  -0.489
  247    HE1  TYR  30           HE2      TYR  30  19.636   1.687  -2.572
  248    HE2  TYR  30           HE1      TYR  30  15.467   0.417  -2.466
  249    HH   TYR  30           HH       TYR  30  18.811   0.005  -3.757
  250    H    GLU  31           H        GLU  31  16.461   4.567   3.596
  251    HA   GLU  31           HA       GLU  31  16.397   6.210   5.093
  252   1HB   GLU  31           HB1      GLU  31  18.727   6.902   4.476
  253   2HB   GLU  31           HB2      GLU  31  18.024   7.904   3.163
  254   1HG   GLU  31           HG1      GLU  31  16.730   8.583   5.676
  255   2HG   GLU  31           HG2      GLU  31  18.484   8.654   5.896
  256    H    VAL  32           H        VAL  32  14.564   5.642   2.848
  257    HA   VAL  32           HA       VAL  32  13.702   8.063   1.576
  258    HB   VAL  32           HB       VAL  32  12.736   5.228   1.612
  259   1HG1  VAL  32          3HG1      VAL  32  11.243   7.398   0.258
  260   2HG1  VAL  32          1HG1      VAL  32  11.643   5.932  -0.652
  261   3HG1  VAL  32          2HG1      VAL  32  10.783   5.840   0.911
  262   1HG2  VAL  32          2HG2      VAL  32  14.346   6.720  -0.542
  263   2HG2  VAL  32          3HG2      VAL  32  14.907   5.446   0.537
  264   3HG2  VAL  32          1HG2      VAL  32  13.642   5.095  -0.667
  265    HA   PRO  33           HA       PRO  33  10.652   8.619   4.857
  266   1HB   PRO  33           HB1      PRO  33   9.616  11.072   4.108
  267   2HB   PRO  33           HB2      PRO  33  11.136  10.864   4.986
  268   1HG   PRO  33           HG1      PRO  33  10.645  11.405   2.063
  269   2HG   PRO  33           HG2      PRO  33  12.066  11.935   3.024
  270   1HD   PRO  33           HD2      PRO  33  11.954   9.638   1.210
  271   2HD   PRO  33           HD1      PRO  33  13.247   9.918   2.417
  272    H    VAL  34           H        VAL  34   9.423   6.934   4.356
  273    HA   VAL  34           HA       VAL  34   6.777   7.783   4.472
  274    HB   VAL  34           HB       VAL  34   6.348   8.138   2.405
  275   1HG1  VAL  34          2HG1      VAL  34   8.719   6.670   1.552
  276   2HG1  VAL  34          3HG1      VAL  34   7.399   6.527   0.419
  277   3HG1  VAL  34          1HG1      VAL  34   7.859   8.120   0.936
  278   1HG2  VAL  34          2HG2      VAL  34   5.752   5.146   2.657
  279   2HG2  VAL  34          3HG2      VAL  34   4.730   6.524   2.890
  280   3HG2  VAL  34          1HG2      VAL  34   5.321   6.137   1.248
  281    H    ILE  35           H        ILE  35   6.634   6.518   6.340
  282    HA   ILE  35           HA       ILE  35   6.996   3.966   6.997
  283    HB   ILE  35           HB       ILE  35   5.038   6.043   7.582
  284   1HG1  ILE  35          1HG1      ILE  35   5.844   4.658   9.928
  285   2HG1  ILE  35          2HG1      ILE  35   7.290   4.716   8.883
  286   1HG2  ILE  35          3HG2      ILE  35   3.974   3.353   7.680
  287   2HG2  ILE  35          1HG2      ILE  35   3.948   4.254   9.179
  288   3HG2  ILE  35          2HG2      ILE  35   3.261   4.944   7.679
  289   1HD1  ILE  35           HD2      ILE  35   6.860   7.287   8.739
  290   2HD1  ILE  35           HD3      ILE  35   5.672   7.034   9.966
  291   3HD1  ILE  35           HD1      ILE  35   7.391   6.531  10.246
  292    H    ILE  36           H        ILE  36   5.987   1.963   6.525
  293    HA   ILE  36           HA       ILE  36   3.686   1.795   4.640
  294    HB   ILE  36           HB       ILE  36   5.881  -0.188   4.479
  295   1HG1  ILE  36          1HG1      ILE  36   5.677   1.464   2.170
  296   2HG1  ILE  36          2HG1      ILE  36   5.980   2.517   3.574
  297   1HG2  ILE  36          3HG2      ILE  36   3.274   0.019   3.182
  298   2HG2  ILE  36          1HG2      ILE  36   4.679  -0.361   2.221
  299   3HG2  ILE  36          2HG2      ILE  36   4.285  -1.336   3.666
  300   1HD1  ILE  36           HD3      ILE  36   7.764   0.205   3.226
  301   2HD1  ILE  36           HD1      ILE  36   7.847   1.607   2.089
  302   3HD1  ILE  36           HD2      ILE  36   8.138   1.807   3.835
  303    H    GLU  37           H        GLU  37   2.136   0.365   5.212
  304    HA   GLU  37           HA       GLU  37   2.406  -1.582   7.365
  305   1HB   GLU  37           HB1      GLU  37   1.369   1.099   7.987
  306   2HB   GLU  37           HB2      GLU  37   0.101  -0.108   8.167
  307   1HG   GLU  37           HG1      GLU  37   2.814   0.067   9.575
  308   2HG   GLU  37           HG2      GLU  37   1.199   0.016  10.302
  309    H    ALA  38           H        ALA  38   0.640  -3.023   7.402
  310    HA   ALA  38           HA       ALA  38  -1.195  -2.935   5.104
  311   1HB   ALA  38           HB3      ALA  38   0.720  -4.622   5.027
  312   2HB   ALA  38           HB1      ALA  38   0.022  -5.398   6.462
  313   3HB   ALA  38           HB2      ALA  38  -0.875  -5.386   4.956
  314    H    PHE  39           H        PHE  39  -3.227  -4.211   5.380
  315    HA   PHE  39           HA       PHE  39  -4.325  -4.817   7.951
  316   1HB   PHE  39           HB1      PHE  39  -5.459  -2.404   6.611
  317   2HB   PHE  39           HB2      PHE  39  -5.736  -2.999   8.247
  318    HD1  PHE  39           HD1      PHE  39  -3.235  -1.415   5.995
  319    HD2  PHE  39           HD2      PHE  39  -4.155  -2.468  10.088
  320    HE1  PHE  39           HE1      PHE  39  -1.998   0.616   6.858
  321    HE2  PHE  39           HE2      PHE  39  -2.059  -1.198  10.761
  322    HZ   PHE  39           HZ       PHE  39  -1.518   0.767   9.328
  323    HA   PRO  40           HA       PRO  40  -7.267  -6.425   4.789
  324   1HB   PRO  40           HB1      PRO  40  -9.076  -7.590   6.347
  325   2HB   PRO  40           HB2      PRO  40  -7.373  -8.074   6.360
  326   1HG   PRO  40           HG1      PRO  40  -8.939  -6.377   8.366
  327   2HG   PRO  40           HG2      PRO  40  -7.623  -7.514   8.740
  328   1HD   PRO  40           HD2      PRO  40  -7.306  -4.628   8.342
  329   2HD   PRO  40           HD1      PRO  40  -5.965  -5.781   8.468
  330    H    GLU  41           H        GLU  41  -7.847  -4.416   3.852
  331    HA   GLU  41           HA       GLU  41  -8.884  -2.402   3.640
  332   1HB   GLU  41           HB1      GLU  41 -10.877  -2.599   2.440
  333   2HB   GLU  41           HB2      GLU  41  -9.923  -4.039   2.099
  334   1HG   GLU  41           HG1      GLU  41 -11.949  -5.147   2.483
  335   2HG   GLU  41           HG2      GLU  41 -11.548  -4.954   4.191
  336    H    THR  42           H        THR  42 -11.036  -4.282   5.887
  337    HA   THR  42           HA       THR  42 -12.625  -2.762   7.162
  338    HB   THR  42           HB       THR  42 -12.534  -4.199   8.873
  339    HG1  THR  42           HG1      THR  42 -10.544  -4.426  10.200
  340   1HG2  THR  42          3HG2      THR  42 -10.283  -5.274   7.326
  341   2HG2  THR  42          1HG2      THR  42 -11.040  -6.048   8.768
  342   3HG2  THR  42          2HG2      THR  42 -11.935  -5.804   7.285
  343    H    LEU  43           H        LEU  43  -9.092  -2.264   7.273
  344    HA   LEU  43           HA       LEU  43  -9.282  -0.084   9.271
  345   1HB   LEU  43           HB1      LEU  43  -7.486  -2.353   8.740
  346   2HB   LEU  43           HB2      LEU  43  -6.504  -0.896   8.446
  347    HG   LEU  43           HG       LEU  43  -6.220  -0.564  10.611
  348   1HD1  LEU  43          3HD1      LEU  43  -9.032  -1.209  11.184
  349   2HD1  LEU  43          1HD1      LEU  43  -7.781  -0.877  12.416
  350   3HD1  LEU  43          2HD1      LEU  43  -8.278   0.380  11.277
  351   1HD2  LEU  43          3HD2      LEU  43  -5.889  -3.132  10.432
  352   2HD2  LEU  43          1HD2      LEU  43  -6.284  -2.462  12.036
  353   3HD2  LEU  43          2HD2      LEU  43  -7.514  -3.280  11.076
  354    H    ALA  44           H        ALA  44  -8.726  -0.727   5.849
  355    HA   ALA  44           HA       ALA  44  -7.479   1.361   4.808
  356   1HB   ALA  44           HB1      ALA  44  -8.914  -0.289   3.509
  357   2HB   ALA  44           HB2      ALA  44 -10.342   0.626   4.012
  358   3HB   ALA  44           HB3      ALA  44  -9.148   1.380   2.957
  359    H    GLY  45           H        GLY  45 -10.933   1.568   5.888
  360   1HA   GLY  45           HA1      GLY  45 -11.636   4.153   5.744
  361   2HA   GLY  45           HA2      GLY  45 -11.991   3.090   7.122
  362    H    GLU  46           H        GLU  46  -9.624   2.937   8.534
  363    HA   GLU  46           HA       GLU  46  -9.635   5.677   9.642
  364   1HB   GLU  46           HB1      GLU  46  -8.599   3.204  11.128
  365   2HB   GLU  46           HB2      GLU  46  -9.363   4.675  11.794
  366   1HG   GLU  46           HG1      GLU  46 -11.539   3.854  10.600
  367   2HG   GLU  46           HG2      GLU  46 -10.718   2.286  10.546
  368    H    LYS  47           H        LYS  47  -7.586   2.929   8.611
  369    HA   LYS  47           HA       LYS  47  -5.077   4.144   9.275
  370   1HB   LYS  47           HB1      LYS  47  -5.965   1.584   8.264
  371   2HB   LYS  47           HB2      LYS  47  -4.550   2.211   7.364
  372   1HG   LYS  47           HG1      LYS  47  -4.207   0.822   9.614
  373   2HG   LYS  47           HG2      LYS  47  -3.242   2.295   9.371
  374   1HD   LYS  47           HD1      LYS  47  -4.457   3.479  10.957
  375   2HD   LYS  47           HD2      LYS  47  -5.874   2.432  10.799
  376   1HE   LYS  47           HE1      LYS  47  -4.838   0.670  12.083
  377   2HE   LYS  47           HE2      LYS  47  -3.183   1.346  11.821
  378   1HZ   LYS  47           HZ1      LYS  47  -3.877   3.266  13.115
  379   2HZ   LYS  47           HZ2      LYS  47  -5.324   2.480  13.498
  380   3HZ   LYS  47           HZ3      LYS  47  -3.835   1.841  14.004
  381    H    GLY  48           H        GLY  48  -6.353   3.067   6.035
  382   1HA   GLY  48           HA1      GLY  48  -5.306   4.759   4.229
  383   2HA   GLY  48           HA2      GLY  48  -7.062   4.364   4.293
  384    H    GLN  49           H        GLN  49  -7.894   5.883   6.518
  385    HA   GLN  49           HA       GLN  49  -8.107   8.537   5.633
  386   1HB   GLN  49           HB1      GLN  49  -9.598   7.169   7.216
  387   2HB   GLN  49           HB2      GLN  49  -8.377   7.405   8.492
  388   1HG   GLN  49           HG1      GLN  49  -8.851   9.982   7.824
  389   2HG   GLN  49           HG2      GLN  49 -10.422   9.237   7.425
  390   1HE2  GLN  49          1HE2      GLN  49 -11.391   8.860  10.763
  391   2HE2  GLN  49          2HE2      GLN  49 -11.897   9.065   9.090
  392    H    ASN  50           H        ASN  50  -5.875   6.741   7.777
  393    HA   ASN  50           HA       ASN  50  -4.411   9.132   8.578
  394   1HB   ASN  50           HB1      ASN  50  -4.942   6.544   9.718
  395   2HB   ASN  50           HB2      ASN  50  -3.197   6.863   9.728
  396   1HD2  ASN  50          1HD2      ASN  50  -5.249   9.954  11.451
  397   2HD2  ASN  50          2HD2      ASN  50  -5.875   9.274   9.918
  398    H    ALA  51           H        ALA  51  -4.416   7.589   5.833
  399    HA   ALA  51           HA       ALA  51  -1.552   6.982   5.508
  400   1HB   ALA  51           HB2      ALA  51  -3.896   6.556   3.616
  401   2HB   ALA  51           HB3      ALA  51  -2.224   6.142   3.269
  402   3HB   ALA  51           HB1      ALA  51  -3.034   5.330   4.605
  403    H    ASP  52           H        ASP  52  -0.263   8.039   3.918
  404    HA   ASP  52           HA       ASP  52  -1.103  10.399   2.518
  405   1HB   ASP  52           HB1      ASP  52   1.088  10.652   1.948
  406   2HB   ASP  52           HB2      ASP  52   1.311   9.569   3.364
  407    H    VAL  53           H        VAL  53  -0.365   6.951   1.768
  408    HA   VAL  53           HA       VAL  53  -1.964   7.117  -0.689
  409    HB   VAL  53           HB       VAL  53   0.868   6.172  -0.597
  410   1HG1  VAL  53          2HG1      VAL  53  -0.744   4.516  -1.731
  411   2HG1  VAL  53          3HG1      VAL  53  -0.649   5.614  -3.111
  412   3HG1  VAL  53          1HG1      VAL  53   0.833   4.963  -2.412
  413   1HG2  VAL  53          3HG2      VAL  53  -0.638   8.276  -2.126
  414   2HG2  VAL  53          1HG2      VAL  53   0.574   8.479  -0.886
  415   3HG2  VAL  53          2HG2      VAL  53   1.083   7.857  -2.447
  416    H    VAL  54           H        VAL  54  -3.275   5.308  -1.054
  417    HA   VAL  54           HA       VAL  54  -3.397   3.405   1.206
  418    HB   VAL  54           HB       VAL  54  -5.571   4.779  -0.289
  419   1HG1  VAL  54          1HG1      VAL  54  -5.687   2.117   0.380
  420   2HG1  VAL  54          2HG1      VAL  54  -6.908   2.994   1.275
  421   3HG1  VAL  54          3HG1      VAL  54  -6.906   3.102  -0.452
  422   1HG2  VAL  54          1HG2      VAL  54  -4.366   4.977   2.338
  423   2HG2  VAL  54          2HG2      VAL  54  -5.819   5.876   1.796
  424   3HG2  VAL  54          3HG2      VAL  54  -5.987   4.330   2.517
  425    H    LEU  55           H        LEU  55  -2.318   1.546   0.389
  426    HA   LEU  55           HA       LEU  55  -2.687   0.841  -2.433
  427   1HB   LEU  55           HB1      LEU  55  -0.406   1.483  -1.791
  428   2HB   LEU  55           HB2      LEU  55  -0.490   0.391  -0.340
  429    HG   LEU  55           HG       LEU  55  -0.400  -1.401  -1.850
  430   1HD1  LEU  55          2HD1      LEU  55  -1.200   0.136  -3.992
  431   2HD1  LEU  55          3HD1      LEU  55   0.341  -0.622  -4.300
  432   3HD1  LEU  55          1HD1      LEU  55  -1.031  -1.602  -3.763
  433   1HD2  LEU  55          3HD2      LEU  55   1.615   0.861  -2.287
  434   2HD2  LEU  55          1HD2      LEU  55   1.732  -0.347  -1.050
  435   3HD2  LEU  55          2HD2      LEU  55   2.037  -0.796  -2.778
  436    H    LEU  56           H        LEU  56  -3.991  -0.911  -2.654
  437    HA   LEU  56           HA       LEU  56  -4.666  -2.857  -0.515
  438   1HB   LEU  56           HB1      LEU  56  -6.391  -0.987  -1.485
  439   2HB   LEU  56           HB2      LEU  56  -6.329  -1.994  -2.930
  440    HG   LEU  56           HG       LEU  56  -7.045  -3.335  -0.387
  441   1HD1  LEU  56          3HD1      LEU  56  -8.270  -1.227  -0.248
  442   2HD1  LEU  56          1HD1      LEU  56  -9.067  -1.703  -1.778
  443   3HD1  LEU  56          2HD1      LEU  56  -9.300  -2.652  -0.299
  444   1HD2  LEU  56          3HD2      LEU  56  -6.905  -4.172  -2.979
  445   2HD2  LEU  56          1HD2      LEU  56  -8.068  -4.841  -1.813
  446   3HD2  LEU  56          2HD2      LEU  56  -8.561  -3.571  -2.972
  447    H    GLY  57           H        GLY  57  -5.605  -4.908  -1.814
  448   1HA   GLY  57           HA1      GLY  57  -3.021  -5.835  -2.902
  449   2HA   GLY  57           HA2      GLY  57  -4.411  -6.817  -2.367
  450    HA   PRO  58           HA       PRO  58  -4.470  -6.666  -6.937
  451   1HB   PRO  58           HB1      PRO  58  -2.589  -8.410  -7.900
  452   2HB   PRO  58           HB2      PRO  58  -2.162  -6.766  -7.510
  453   1HG   PRO  58           HG1      PRO  58  -1.840  -9.261  -5.777
  454   2HG   PRO  58           HG2      PRO  58  -0.703  -7.918  -5.974
  455   1HD   PRO  58           HD2      PRO  58  -2.548  -8.168  -3.822
  456   2HD   PRO  58           HD1      PRO  58  -1.805  -6.601  -4.327
  457    H    GLN  59           H        GLN  59  -4.005  -9.401  -4.886
  458    HA   GLN  59           HA       GLN  59  -5.585 -11.362  -6.182
  459   1HB   GLN  59           HB1      GLN  59  -4.889 -10.972  -3.236
  460   2HB   GLN  59           HB2      GLN  59  -5.368 -12.529  -4.016
  461   1HG   GLN  59           HG1      GLN  59  -3.296 -12.483  -5.367
  462   2HG   GLN  59           HG2      GLN  59  -2.837 -10.972  -4.501
  463   1HE2  GLN  59          1HE2      GLN  59  -2.793 -13.076  -1.313
  464   2HE2  GLN  59          2HE2      GLN  59  -3.908 -11.840  -1.867
  465    H    ILE  60           H        ILE  60  -6.110  -8.464  -4.346
  466    HA   ILE  60           HA       ILE  60  -8.949  -8.935  -3.712
  467    HB   ILE  60           HB       ILE  60  -7.941  -9.115  -1.641
  468   1HG1  ILE  60          1HG1      ILE  60  -8.491  -6.508  -0.796
  469   2HG1  ILE  60          2HG1      ILE  60  -9.452  -6.620  -2.310
  470   1HG2  ILE  60          1HG2      ILE  60  -5.832  -8.343  -2.507
  471   2HG2  ILE  60          2HG2      ILE  60  -6.317  -6.659  -2.249
  472   3HG2  ILE  60          3HG2      ILE  60  -6.040  -7.728  -0.895
  473   1HD1  ILE  60           HD2      ILE  60 -10.232  -8.899  -0.843
  474   2HD1  ILE  60           HD3      ILE  60  -9.964  -7.698   0.362
  475   3HD1  ILE  60           HD1      ILE  60 -11.002  -7.293  -1.017
  476    H    ALA  61           H        ALA  61  -8.127  -8.066  -6.145
  477    HA   ALA  61           HA       ALA  61  -7.438  -5.233  -6.163
  478   1HB   ALA  61           HB3      ALA  61  -6.606  -7.540  -7.607
  479   2HB   ALA  61           HB1      ALA  61  -7.408  -6.474  -8.774
  480   3HB   ALA  61           HB2      ALA  61  -6.058  -5.870  -7.833
  481    H    TYR  62           H        TYR  62 -10.263  -6.024  -5.629
  482    HA   TYR  62           HA       TYR  62 -11.704  -4.995  -7.992
  483   1HB   TYR  62           HB1      TYR  62 -13.651  -6.147  -7.144
  484   2HB   TYR  62           HB2      TYR  62 -12.285  -7.288  -7.478
  485    HD1  TYR  62           HD1      TYR  62 -10.784  -7.845  -5.342
  486    HD2  TYR  62           HD2      TYR  62 -14.770  -6.169  -5.181
  487    HE1  TYR  62           HE1      TYR  62 -11.006  -8.349  -2.858
  488    HE2  TYR  62           HE2      TYR  62 -15.238  -7.546  -3.102
  489    HH   TYR  62           HH       TYR  62 -14.368  -8.929  -1.599
  490    H    MET  63           H        MET  63 -11.459  -5.086  -4.428
  491    HA   MET  63           HA       MET  63 -13.732  -3.817  -3.545
  492   1HB   MET  63           HB1      MET  63 -11.034  -4.505  -2.571
  493   2HB   MET  63           HB2      MET  63 -11.968  -3.291  -1.630
  494   1HG   MET  63           HG1      MET  63 -13.872  -5.117  -2.043
  495   2HG   MET  63           HG2      MET  63 -12.459  -6.159  -2.150
  496   1HE   MET  63           HE3      MET  63 -10.509  -5.444  -0.642
  497   2HE   MET  63           HE1      MET  63 -10.829  -4.025   0.403
  498   3HE   MET  63           HE2      MET  63 -10.593  -5.642   1.093
  499    H    LEU  64           H        LEU  64 -11.031  -2.263  -5.153
  500    HA   LEU  64           HA       LEU  64 -10.368   0.052  -4.183
  501   1HB   LEU  64           HB1      LEU  64 -10.548  -1.128  -6.706
  502   2HB   LEU  64           HB2      LEU  64 -11.543   0.322  -6.952
  503    HG   LEU  64           HG       LEU  64  -9.082   1.055  -5.694
  504   1HD1  LEU  64          3HD1      LEU  64  -8.584  -1.115  -7.506
  505   2HD1  LEU  64          1HD1      LEU  64  -7.707   0.422  -7.827
  506   3HD1  LEU  64          2HD1      LEU  64  -7.517  -0.395  -6.302
  507   1HD2  LEU  64          3HD2      LEU  64 -10.324   1.538  -8.494
  508   2HD2  LEU  64          1HD2      LEU  64 -10.504   2.524  -7.036
  509   3HD2  LEU  64          2HD2      LEU  64  -8.919   2.380  -7.823
  510    HA   PRO  65           HA       PRO  65 -14.318   2.315  -5.683
  511   1HB   PRO  65           HB1      PRO  65 -16.573   0.348  -5.822
  512   2HB   PRO  65           HB2      PRO  65 -16.100   1.580  -6.998
  513   1HG   PRO  65           HG1      PRO  65 -15.483  -1.088  -7.405
  514   2HG   PRO  65           HG2      PRO  65 -14.347   0.215  -7.893
  515   1HD   PRO  65           HD2      PRO  65 -14.383  -1.462  -5.315
  516   2HD   PRO  65           HD1      PRO  65 -12.967  -1.169  -6.401
  517    H    GLU  66           H        GLU  66 -14.939  -0.121  -3.308
  518    HA   GLU  66           HA       GLU  66 -16.527   1.629  -1.583
  519   1HB   GLU  66           HB1      GLU  66 -16.864  -0.176  -0.255
  520   2HB   GLU  66           HB2      GLU  66 -16.436  -1.051  -1.741
  521   1HG   GLU  66           HG1      GLU  66 -14.028  -1.066  -0.789
  522   2HG   GLU  66           HG2      GLU  66 -14.735  -0.521   0.748
  523    H    ILE  67           H        ILE  67 -13.022   0.819  -1.989
  524    HA   ILE  67           HA       ILE  67 -11.864   2.120   0.182
  525    HB   ILE  67           HB       ILE  67 -10.875   1.977  -2.627
  526   1HG1  ILE  67          1HG1      ILE  67 -10.187  -0.157  -1.962
  527   2HG1  ILE  67          2HG1      ILE  67  -9.120   0.666  -0.863
  528   1HG2  ILE  67          2HG2      ILE  67 -10.068   3.959  -1.481
  529   2HG2  ILE  67          3HG2      ILE  67  -9.189   2.892  -0.396
  530   3HG2  ILE  67          1HG2      ILE  67  -8.913   2.762  -2.118
  531   1HD1  ILE  67           HD1      ILE  67 -11.837   0.142   0.056
  532   2HD1  ILE  67           HD2      ILE  67 -10.746  -1.260  -0.017
  533   3HD1  ILE  67           HD3      ILE  67 -10.282   0.110   0.951
  534    H    GLN  68           H        GLN  68 -12.555   3.472  -3.083
  535    HA   GLN  68           HA       GLN  68 -12.148   6.153  -2.685
  536   1HB   GLN  68           HB1      GLN  68 -14.251   4.697  -4.388
  537   2HB   GLN  68           HB2      GLN  68 -13.968   6.429  -4.496
  538   1HG   GLN  68           HG1      GLN  68 -11.784   4.349  -4.940
  539   2HG   GLN  68           HG2      GLN  68 -12.818   4.971  -6.239
  540   1HE2  GLN  68          1HE2      GLN  68  -9.911   7.392  -4.615
  541   2HE2  GLN  68          2HE2      GLN  68 -10.283   5.856  -3.825
  542    H    ARG  69           H        ARG  69 -15.176   4.218  -2.046
  543    HA   ARG  69           HA       ARG  69 -16.786   6.484  -1.489
  544   1HB   ARG  69           HB1      ARG  69 -17.238   3.521  -0.983
  545   2HB   ARG  69           HB2      ARG  69 -18.475   4.781  -0.741
  546   1HG   ARG  69           HG1      ARG  69 -17.446   5.230  -3.366
  547   2HG   ARG  69           HG2      ARG  69 -17.516   3.479  -3.202
  548   1HD   ARG  69           HD1      ARG  69 -19.823   5.484  -3.023
  549   2HD   ARG  69           HD2      ARG  69 -19.667   3.978  -4.000
  550    HE   ARG  69           HE       ARG  69 -19.521   3.129  -1.375
  551   1HH1  ARG  69          2HH1      ARG  69 -21.845   4.562  -3.425
  552   2HH1  ARG  69          1HH1      ARG  69 -23.279   3.990  -2.329
  553   1HH2  ARG  69          2HH2      ARG  69 -21.208   2.336  -0.337
  554   2HH2  ARG  69          1HH2      ARG  69 -22.967   2.751  -0.946
  555    H    LEU  70           H        LEU  70 -14.572   4.554   0.373
  556    HA   LEU  70           HA       LEU  70 -15.510   5.394   3.008
  557   1HB   LEU  70           HB1      LEU  70 -13.506   3.551   1.676
  558   2HB   LEU  70           HB2      LEU  70 -12.772   4.391   3.046
  559    HG   LEU  70           HG       LEU  70 -13.971   3.312   4.603
  560   1HD1  LEU  70          1HD1      LEU  70 -16.221   3.174   2.808
  561   2HD1  LEU  70          2HD1      LEU  70 -16.137   1.867   4.004
  562   3HD1  LEU  70          3HD1      LEU  70 -16.078   3.512   4.564
  563   1HD2  LEU  70          3HD2      LEU  70 -12.824   1.642   2.516
  564   2HD2  LEU  70          1HD2      LEU  70 -13.085   1.244   4.211
  565   3HD2  LEU  70          2HD2      LEU  70 -14.336   0.873   3.028
  566    H    LEU  71           H        LEU  71 -12.946   6.218   0.597
  567    HA   LEU  71           HA       LEU  71 -12.358   8.697   2.033
  568   1HB   LEU  71           HB1      LEU  71  -9.988   7.229   0.718
  569   2HB   LEU  71           HB2      LEU  71  -9.982   8.100   2.250
  570    HG   LEU  71           HG       LEU  71 -11.443   5.612   2.387
  571   1HD1  LEU  71          2HD1      LEU  71  -9.213   5.331   0.690
  572   2HD1  LEU  71          3HD1      LEU  71  -8.787   4.682   2.222
  573   3HD1  LEU  71          1HD1      LEU  71 -10.294   4.162   1.441
  574   1HD2  LEU  71          3HD2      LEU  71  -9.043   6.809   3.939
  575   2HD2  LEU  71          1HD2      LEU  71 -10.740   6.796   4.412
  576   3HD2  LEU  71          2HD2      LEU  71  -9.805   5.284   4.324
  577    HA   PRO  72           HA       PRO  72 -13.058   8.942  -2.506
  578   1HB   PRO  72           HB1      PRO  72 -15.001  11.154  -2.002
  579   2HB   PRO  72           HB2      PRO  72 -15.205   9.615  -2.855
  580   1HG   PRO  72           HG1      PRO  72 -16.257  10.138  -0.297
  581   2HG   PRO  72           HG2      PRO  72 -15.843   8.507  -0.854
  582   1HD   PRO  72           HD2      PRO  72 -14.162  10.310   0.956
  583   2HD   PRO  72           HD1      PRO  72 -14.325   8.530   1.016
  584    H    ASN  73           H        ASN  73 -10.799   9.856  -1.728
  585    HA   ASN  73           HA       ASN  73 -10.328  11.238  -4.091
  586   1HB   ASN  73           HB1      ASN  73  -9.411  13.325  -3.351
  587   2HB   ASN  73           HB2      ASN  73 -10.991  13.176  -2.508
  588   1HD2  ASN  73          1HD2      ASN  73  -9.317  12.310   0.608
  589   2HD2  ASN  73          2HD2      ASN  73 -10.445  11.473  -0.443
  590    H    LYS  74           H        LYS  74  -9.052  10.269  -0.867
  591    HA   LYS  74           HA       LYS  74  -6.455  10.650  -0.933
  592   1HB   LYS  74           HB1      LYS  74  -7.906   8.213   0.086
  593   2HB   LYS  74           HB2      LYS  74  -6.160   8.422   0.288
  594   1HG   LYS  74           HG1      LYS  74  -7.509  10.905   1.065
  595   2HG   LYS  74           HG2      LYS  74  -8.346   9.542   1.862
  596   1HD   LYS  74           HD1      LYS  74  -6.100   8.810   2.740
  597   2HD   LYS  74           HD2      LYS  74  -5.401  10.325   2.101
  598   1HE   LYS  74           HE1      LYS  74  -7.562  10.042   4.257
  599   2HE   LYS  74           HE2      LYS  74  -5.988  10.923   4.318
  600   1HZ   LYS  74           HZ1      LYS  74  -6.849  12.353   2.565
  601   2HZ   LYS  74           HZ2      LYS  74  -8.359  11.630   2.715
  602   3HZ   LYS  74           HZ3      LYS  74  -7.697  12.492   4.036
  603    HA   PRO  75           HA       PRO  75  -4.905   8.456  -4.371
  604   1HB   PRO  75           HB1      PRO  75  -2.133   8.742  -3.968
  605   2HB   PRO  75           HB2      PRO  75  -3.234   9.969  -4.654
  606   1HG   PRO  75           HG1      PRO  75  -2.211   9.672  -1.777
  607   2HG   PRO  75           HG2      PRO  75  -2.494  11.181  -2.729
  608   1HD   PRO  75           HD2      PRO  75  -4.282  10.209  -0.784
  609   2HD   PRO  75           HD1      PRO  75  -4.829  11.196  -2.173
  610    H    VAL  76           H        VAL  76  -5.768   6.529  -3.941
  611    HA   VAL  76           HA       VAL  76  -4.336   4.477  -2.506
  612    HB   VAL  76           HB       VAL  76  -6.532   4.516  -1.879
  613   1HG1  VAL  76          1HG1      VAL  76  -7.353   5.056  -4.637
  614   2HG1  VAL  76          2HG1      VAL  76  -8.494   4.665  -3.335
  615   3HG1  VAL  76          3HG1      VAL  76  -7.520   6.126  -3.207
  616   1HG2  VAL  76          2HG2      VAL  76  -5.695   2.214  -3.403
  617   2HG2  VAL  76          3HG2      VAL  76  -6.965   2.297  -2.227
  618   3HG2  VAL  76          1HG2      VAL  76  -7.299   2.604  -3.961
  619    H    GLU  77           H        GLU  77  -3.648   2.517  -3.471
  620    HA   GLU  77           HA       GLU  77  -4.284   1.910  -6.259
  621   1HB   GLU  77           HB1      GLU  77  -1.724   3.152  -5.708
  622   2HB   GLU  77           HB2      GLU  77  -1.405   1.420  -5.982
  623   1HG   GLU  77           HG1      GLU  77  -3.214   2.122  -8.068
  624   2HG   GLU  77           HG2      GLU  77  -2.062   3.498  -7.939
  625    H    VAL  78           H        VAL  78  -4.510  -0.282  -6.586
  626    HA   VAL  78           HA       VAL  78  -4.151  -2.273  -4.763
  627    HB   VAL  78           HB       VAL  78  -5.508  -2.432  -6.691
  628   1HG1  VAL  78          1HG1      VAL  78  -3.458  -1.289  -8.007
  629   2HG1  VAL  78          2HG1      VAL  78  -3.778  -2.795  -8.880
  630   3HG1  VAL  78          3HG1      VAL  78  -5.053  -1.628  -8.681
  631   1HG2  VAL  78          2HG2      VAL  78  -3.580  -4.628  -6.170
  632   2HG2  VAL  78          3HG2      VAL  78  -5.272  -4.704  -6.586
  633   3HG2  VAL  78          1HG2      VAL  78  -4.077  -4.509  -7.873
  634    H    ILE  79           H        ILE  79  -2.233  -3.898  -4.515
  635    HA   ILE  79           HA       ILE  79   0.316  -3.094  -5.815
  636    HB   ILE  79           HB       ILE  79  -0.257  -5.462  -4.126
  637   1HG1  ILE  79          1HG1      ILE  79   0.569  -2.640  -3.730
  638   2HG1  ILE  79          2HG1      ILE  79  -0.425  -3.668  -2.660
  639   1HG2  ILE  79          2HG2      ILE  79   1.592  -5.885  -5.703
  640   2HG2  ILE  79          3HG2      ILE  79   2.419  -4.477  -5.068
  641   3HG2  ILE  79          1HG2      ILE  79   2.053  -5.808  -3.995
  642   1HD1  ILE  79           HD2      ILE  79   2.590  -4.128  -2.915
  643   2HD1  ILE  79           HD3      ILE  79   1.965  -2.952  -1.833
  644   3HD1  ILE  79           HD1      ILE  79   1.397  -4.642  -1.701
  645    H    ASP  80           H        ASP  80   1.459  -4.522  -7.349
  646    HA   ASP  80           HA       ASP  80   0.114  -6.014  -9.388
  647   1HB   ASP  80           HB1      ASP  80   2.886  -5.201  -8.520
  648   2HB   ASP  80           HB2      ASP  80   2.740  -6.590  -9.593
  649    H    SER  81           H        SER  81   1.247  -8.370  -9.716
  650    HA   SER  81           HA       SER  81  -0.056  -9.705  -7.401
  651   1HB   SER  81           HB1      SER  81  -1.429  -9.522  -9.387
  652   2HB   SER  81           HB2      SER  81  -0.193 -10.346 -10.356
  653    HG   SER  81           HG       SER  81  -1.985 -11.720  -9.496
  654    H    LEU  82           H        LEU  82   2.664  -9.667  -9.627
  655    HA   LEU  82           HA       LEU  82   3.865 -12.083  -8.520
  656   1HB   LEU  82           HB1      LEU  82   4.020 -10.319 -10.884
  657   2HB   LEU  82           HB2      LEU  82   5.676 -10.685 -10.282
  658    HG   LEU  82           HG       LEU  82   4.025 -13.055 -10.493
  659   1HD1  LEU  82          1HD1      LEU  82   3.933 -11.380 -12.870
  660   2HD1  LEU  82          2HD1      LEU  82   3.577 -13.121 -12.885
  661   3HD1  LEU  82          3HD1      LEU  82   2.645 -12.082 -11.846
  662   1HD2  LEU  82          2HD2      LEU  82   6.751 -12.179 -11.173
  663   2HD2  LEU  82          3HD2      LEU  82   6.177 -13.726 -10.599
  664   3HD2  LEU  82          1HD2      LEU  82   6.059 -13.362 -12.324
  665    H    LEU  83           H        LEU  83   4.337  -8.455  -8.589
  666    HA   LEU  83           HA       LEU  83   6.774  -8.268  -7.236
  667   1HB   LEU  83           HB1      LEU  83   4.261  -6.474  -7.467
  668   2HB   LEU  83           HB2      LEU  83   5.846  -5.839  -6.931
  669    HG   LEU  83           HG       LEU  83   4.877  -6.385  -9.668
  670   1HD1  LEU  83          1HD1      LEU  83   4.755  -4.223  -8.816
  671   2HD1  LEU  83          2HD1      LEU  83   6.506  -4.122  -8.564
  672   3HD1  LEU  83          3HD1      LEU  83   5.917  -4.385 -10.187
  673   1HD2  LEU  83          1HD2      LEU  83   7.732  -6.848  -8.758
  674   2HD2  LEU  83          2HD2      LEU  83   6.702  -7.871  -9.807
  675   3HD2  LEU  83          3HD2      LEU  83   7.343  -6.364 -10.426
  676    H    TYR  84           H        TYR  84   3.337  -7.969  -6.319
  677    HA   TYR  84           HA       TYR  84   3.253  -7.782  -3.484
  678   1HB   TYR  84           HB1      TYR  84   1.302  -7.705  -5.046
  679   2HB   TYR  84           HB2      TYR  84   1.471  -9.449  -5.278
  680    HD1  TYR  84           HD1      TYR  84   0.899  -6.786  -2.657
  681    HD2  TYR  84           HD2      TYR  84   0.078 -10.754  -4.036
  682    HE1  TYR  84           HE1      TYR  84  -0.091  -7.347  -0.399
  683    HE2  TYR  84           HE2      TYR  84  -0.538 -11.481  -1.673
  684    HH   TYR  84           HH       TYR  84  -1.039 -10.768   0.300
  685    H    GLY  85           H        GLY  85   2.777 -10.923  -5.233
  686   1HA   GLY  85           HA1      GLY  85   3.123 -12.231  -2.669
  687   2HA   GLY  85           HA2      GLY  85   2.566 -12.917  -4.237
  688    H    LYS  86           H        LYS  86   5.369 -11.431  -5.115
  689    HA   LYS  86           HA       LYS  86   7.207 -13.323  -3.781
  690   1HB   LYS  86           HB1      LYS  86   8.428 -13.642  -5.619
  691   2HB   LYS  86           HB2      LYS  86   6.946 -13.174  -6.476
  692   1HG   LYS  86           HG1      LYS  86   7.707 -10.817  -6.591
  693   2HG   LYS  86           HG2      LYS  86   9.178 -11.219  -5.672
  694   1HD   LYS  86           HD1      LYS  86   8.641 -12.722  -8.290
  695   2HD   LYS  86           HD2      LYS  86   9.180 -11.022  -8.373
  696   1HE   LYS  86           HE1      LYS  86  11.240 -11.478  -7.219
  697   2HE   LYS  86           HE2      LYS  86  10.665 -13.081  -6.646
  698   1HZ   LYS  86           HZ1      LYS  86  10.536 -13.723  -9.017
  699   2HZ   LYS  86           HZ2      LYS  86  11.271 -12.254  -9.426
  700   3HZ   LYS  86           HZ3      LYS  86  12.122 -13.401  -8.457
  701    H    VAL  87           H        VAL  87   5.951 -10.450  -3.220
  702    HA   VAL  87           HA       VAL  87   6.490  -8.656  -2.064
  703    HB   VAL  87           HB       VAL  87   7.935 -11.092  -1.048
  704   1HG1  VAL  87          1HG1      VAL  87   8.181  -8.489   0.265
  705   2HG1  VAL  87          2HG1      VAL  87   7.899  -9.873   1.293
  706   3HG1  VAL  87          3HG1      VAL  87   9.278  -9.856   0.201
  707   1HG2  VAL  87          1HG2      VAL  87   5.242  -9.826  -0.540
  708   2HG2  VAL  87          2HG2      VAL  87   5.619 -11.523  -0.806
  709   3HG2  VAL  87          3HG2      VAL  87   5.955 -10.825   0.757
  710    H    ASP  88           H        ASP  88   7.586  -7.682  -3.971
  711    HA   ASP  88           HA       ASP  88  10.484  -7.257  -3.791
  712   1HB   ASP  88           HB1      ASP  88   8.517  -7.205  -6.048
  713   2HB   ASP  88           HB2      ASP  88   9.951  -6.168  -6.126
  714    H    GLY  89           H        GLY  89   9.412  -5.848  -1.828
  715   1HA   GLY  89           HA1      GLY  89   8.478  -3.610  -1.297
  716   2HA   GLY  89           HA2      GLY  89  10.243  -3.730  -1.293
  717    H    LEU  90           H        LEU  90  11.333  -3.285  -3.458
  718    HA   LEU  90           HA       LEU  90  11.328  -0.525  -3.560
  719   1HB   LEU  90           HB1      LEU  90  13.183  -2.201  -4.103
  720   2HB   LEU  90           HB2      LEU  90  12.392  -2.546  -5.673
  721    HG   LEU  90           HG       LEU  90  12.820   0.179  -5.707
  722   1HD1  LEU  90          1HD1      LEU  90  14.610  -0.988  -3.792
  723   2HD1  LEU  90          2HD1      LEU  90  15.469  -0.014  -4.962
  724   3HD1  LEU  90          3HD1      LEU  90  14.143   0.732  -4.108
  725   1HD2  LEU  90          2HD2      LEU  90  13.201  -1.410  -7.600
  726   2HD2  LEU  90          3HD2      LEU  90  14.579  -0.373  -7.433
  727   3HD2  LEU  90          1HD2      LEU  90  14.648  -2.027  -6.764
  728    H    GLY  91           H        GLY  91  10.695  -2.496  -6.604
  729   1HA   GLY  91           HA1      GLY  91   9.117  -1.217  -8.210
  730   2HA   GLY  91           HA2      GLY  91   8.602  -2.817  -7.552
  731    H    VAL  92           H        VAL  92   8.125  -1.961  -4.825
  732    HA   VAL  92           HA       VAL  92   5.360  -1.234  -5.298
  733    HB   VAL  92           HB       VAL  92   6.415  -2.267  -2.763
  734   1HG1  VAL  92          1HG1      VAL  92   4.294  -1.108  -2.897
  735   2HG1  VAL  92          2HG1      VAL  92   3.705  -2.457  -3.856
  736   3HG1  VAL  92          3HG1      VAL  92   4.182  -2.748  -2.203
  737   1HG2  VAL  92          1HG2      VAL  92   6.255  -3.578  -5.345
  738   2HG2  VAL  92          2HG2      VAL  92   6.705  -4.389  -3.836
  739   3HG2  VAL  92          3HG2      VAL  92   5.014  -4.289  -4.278
  740    H    LEU  93           H        LEU  93   8.304   0.033  -3.705
  741    HA   LEU  93           HA       LEU  93   7.131   2.249  -2.277
  742   1HB   LEU  93           HB1      LEU  93   9.363   1.007  -1.849
  743   2HB   LEU  93           HB2      LEU  93   9.979   1.750  -3.366
  744    HG   LEU  93           HG       LEU  93  10.623   3.565  -2.378
  745   1HD1  LEU  93          1HD1      LEU  93   8.170   4.233  -2.207
  746   2HD1  LEU  93          2HD1      LEU  93   8.438   4.189  -0.461
  747   3HD1  LEU  93          3HD1      LEU  93   9.488   5.161  -1.482
  748   1HD2  LEU  93          2HD2      LEU  93  11.048   1.605  -0.677
  749   2HD2  LEU  93          3HD2      LEU  93  11.394   3.255  -0.149
  750   3HD2  LEU  93          1HD2      LEU  93   9.894   2.487   0.351
  751    H    LYS  94           H        LYS  94   8.900   1.768  -5.469
  752    HA   LYS  94           HA       LYS  94   8.761   4.414  -6.354
  753   1HB   LYS  94           HB1      LYS  94   8.969   1.759  -7.801
  754   2HB   LYS  94           HB2      LYS  94   8.941   3.284  -8.703
  755   1HG   LYS  94           HG1      LYS  94  11.035   2.286  -6.738
  756   2HG   LYS  94           HG2      LYS  94  11.225   2.942  -8.397
  757   1HD   LYS  94           HD1      LYS  94  10.434   5.164  -7.416
  758   2HD   LYS  94           HD2      LYS  94  10.680   4.466  -5.810
  759   1HE   LYS  94           HE1      LYS  94  12.728   5.679  -7.450
  760   2HE   LYS  94           HE2      LYS  94  13.014   4.713  -5.973
  761   1HZ   LYS  94           HZ1      LYS  94  13.017   2.739  -7.366
  762   2HZ   LYS  94           HZ2      LYS  94  12.920   3.723  -8.760
  763   3HZ   LYS  94           HZ3      LYS  94  14.269   3.842  -7.732
  764    H    ALA  95           H        ALA  95   6.465   1.721  -6.713
  765    HA   ALA  95           HA       ALA  95   4.533   2.692  -8.399
  766   1HB   ALA  95           HB1      ALA  95   4.856   0.471  -6.966
  767   2HB   ALA  95           HB2      ALA  95   3.704   1.266  -5.867
  768   3HB   ALA  95           HB3      ALA  95   3.240   0.918  -7.526
  769    H    ALA  96           H        ALA  96   4.305   2.752  -4.833
  770    HA   ALA  96           HA       ALA  96   2.116   4.261  -4.309
  771   1HB   ALA  96           HB1      ALA  96   4.100   3.220  -2.781
  772   2HB   ALA  96           HB2      ALA  96   4.518   4.889  -2.620
  773   3HB   ALA  96           HB3      ALA  96   2.894   4.373  -2.155
  774    H    VAL  97           H        VAL  97   5.458   5.618  -4.773
  775    HA   VAL  97           HA       VAL  97   4.974   8.304  -4.368
  776    HB   VAL  97           HB       VAL  97   6.922   6.716  -5.996
  777   1HG1  VAL  97          2HG1      VAL  97   6.529   9.173  -6.917
  778   2HG1  VAL  97          3HG1      VAL  97   7.768   9.569  -5.761
  779   3HG1  VAL  97          1HG1      VAL  97   8.077   8.231  -6.879
  780   1HG2  VAL  97          1HG2      VAL  97   6.775   7.554  -3.217
  781   2HG2  VAL  97          2HG2      VAL  97   7.991   6.524  -3.997
  782   3HG2  VAL  97          3HG2      VAL  97   8.240   8.244  -3.876
  783    H    ALA  98           H        ALA  98   4.527   6.256  -7.296
  784    HA   ALA  98           HA       ALA  98   4.018   8.245  -9.199
  785   1HB   ALA  98           HB1      ALA  98   4.042   5.350  -9.050
  786   2HB   ALA  98           HB2      ALA  98   2.725   5.921 -10.073
  787   3HB   ALA  98           HB3      ALA  98   4.411   6.385 -10.399
  788    H    ALA  99           H        ALA  99   1.996   6.326  -6.971
  789    HA   ALA  99           HA       ALA  99  -0.594   6.833  -7.610
  790   1HB   ALA  99           HB2      ALA  99   0.882   6.266  -5.147
  791   2HB   ALA  99           HB3      ALA  99  -0.525   7.277  -4.859
  792   3HB   ALA  99           HB1      ALA  99  -0.743   5.727  -5.652
  793    H    ILE 100           H        ILE 100   1.434   8.896  -5.437
  794    HA   ILE 100           HA       ILE 100  -0.156  10.988  -4.818
  795    HB   ILE 100           HB       ILE 100   2.665  10.478  -4.852
  796   1HG1  ILE 100          1HG1      ILE 100   0.802  10.398  -2.947
  797   2HG1  ILE 100          2HG1      ILE 100   2.448  10.996  -2.579
  798   1HG2  ILE 100          3HG2      ILE 100   1.846  13.245  -5.429
  799   2HG2  ILE 100          1HG2      ILE 100   3.055  12.921  -4.192
  800   3HG2  ILE 100          2HG2      ILE 100   3.305  12.321  -5.848
  801   1HD1  ILE 100           HD2      ILE 100   1.313  13.377  -3.071
  802   2HD1  ILE 100           HD3      ILE 100  -0.130  12.506  -2.750
  803   3HD1  ILE 100           HD1      ILE 100   1.179  12.456  -1.537
  804    H    LYS 101           H        LYS 101   2.394  11.046  -7.284
  805    HA   LYS 101           HA       LYS 101   2.098  13.535  -8.291
  806   1HB   LYS 101           HB1      LYS 101   2.883  11.075  -9.907
  807   2HB   LYS 101           HB2      LYS 101   3.114  12.757 -10.419
  808   1HG   LYS 101           HG1      LYS 101   4.181  12.617  -7.744
  809   2HG   LYS 101           HG2      LYS 101   4.754  11.138  -8.554
  810   1HD   LYS 101           HD1      LYS 101   5.171  13.966  -9.623
  811   2HD   LYS 101           HD2      LYS 101   6.342  12.999  -8.683
  812   1HE   LYS 101           HE1      LYS 101   6.893  11.736 -10.561
  813   2HE   LYS 101           HE2      LYS 101   5.159  11.513 -10.999
  814   1HZ   LYS 101           HZ1      LYS 101   5.243  13.821 -11.848
  815   2HZ   LYS 101           HZ2      LYS 101   6.921  13.815 -11.588
  816   3HZ   LYS 101           HZ3      LYS 101   6.236  12.714 -12.693
  817    H    LYS 102           H        LYS 102   0.199  10.629  -9.403
  818    HA   LYS 102           HA       LYS 102  -1.122  11.847 -11.578
  819   1HB   LYS 102           HB1      LYS 102  -1.020   9.463 -11.418
  820   2HB   LYS 102           HB2      LYS 102  -1.871   9.489  -9.843
  821   1HG   LYS 102           HG1      LYS 102  -3.946   9.875 -10.801
  822   2HG   LYS 102           HG2      LYS 102  -3.234  10.854 -12.131
  823   1HD   LYS 102           HD1      LYS 102  -2.546   8.026 -12.326
  824   2HD   LYS 102           HD2      LYS 102  -4.313   8.321 -12.349
  825   1HE   LYS 102           HE1      LYS 102  -2.701  10.277 -13.958
  826   2HE   LYS 102           HE2      LYS 102  -2.756   8.614 -14.614
  827   1HZ   LYS 102           HZ1      LYS 102  -5.177   8.663 -14.331
  828   2HZ   LYS 102           HZ2      LYS 102  -5.057  10.331 -13.946
  829   3HZ   LYS 102           HZ3      LYS 102  -4.586   9.791 -15.482
  830    H    ALA 103           H        ALA 103  -2.081  11.374  -8.161
  831    HA   ALA 103           HA       ALA 103  -4.541  12.315  -7.854
  832   1HB   ALA 103           HB3      ALA 103  -2.045  12.647  -6.237
  833   2HB   ALA 103           HB1      ALA 103  -3.452  13.591  -5.749
  834   3HB   ALA 103           HB2      ALA 103  -3.560  11.826  -5.813
  835    H    ALA 104           H        ALA 104  -1.629  14.335  -8.392
  836    HA   ALA 104           HA       ALA 104  -2.399  16.876  -8.113
  837   1HB   ALA 104           HB2      ALA 104  -0.539  15.450  -9.950
  838   2HB   ALA 104           HB3      ALA 104  -1.057  17.009 -10.576
  839   3HB   ALA 104           HB1      ALA 104  -0.266  16.898  -8.990
  840    H    ALA 105           H        ALA 105  -3.308  18.534  -9.457
  841    HA   ALA 105           HA       ALA 105  -4.298  18.533 -11.921
  842   1HB   ALA 105           HB2      ALA 105  -6.140  16.931 -10.234
  843   2HB   ALA 105           HB3      ALA 105  -6.899  18.131 -11.297
  844   3HB   ALA 105           HB1      ALA 105  -5.853  16.884 -11.971
  845    H    ASN 106           H        ASN 106  -5.730  19.121  -8.619
  846    HA   ASN 106           HA       ASN 106  -5.464  21.732  -8.308
  847   1HB   ASN 106           HB1      ASN 106  -6.828  21.698 -10.633
  848   2HB   ASN 106           HB2      ASN 106  -8.221  21.661  -9.551
  849   1HD2  ASN 106          1HD2      ASN 106  -7.521  24.898  -8.110
  850   2HD2  ASN 106          2HD2      ASN 106  -8.323  23.347  -7.804
   
  No H/Q in entry =         850
  Start of MODEL    9
    1    H    MET   1           H        MET   1   6.430  16.821   8.640
    2    HA   MET   1           HA       MET   1   8.853  15.723   9.694
    3   1HB   MET   1           HB1      MET   1   8.930  18.362   9.813
    4   2HB   MET   1           HB2      MET   1   7.958  18.100  11.289
    5   1HG   MET   1           HG1      MET   1   9.698  17.009  12.411
    6   2HG   MET   1           HG2      MET   1  10.404  16.443  10.886
    7   1HE   MET   1           HE1      MET   1   9.560  19.169  13.088
    8   2HE   MET   1           HE2      MET   1  10.938  20.300  13.157
    9   3HE   MET   1           HE3      MET   1   9.684  20.497  11.918
   10    H    GLU   2           H        GLU   2   7.758  13.887  10.250
   11    HA   GLU   2           HA       GLU   2   6.533  13.480  12.563
   12   1HB   GLU   2           HB1      GLU   2   4.568  14.843  10.850
   13   2HB   GLU   2           HB2      GLU   2   4.003  13.215  11.273
   14   1HG   GLU   2           HG1      GLU   2   4.661  13.868  13.719
   15   2HG   GLU   2           HG2      GLU   2   4.612  15.537  13.079
   16    H    LYS   3           H        LYS   3   6.769  12.695   9.115
   17    HA   LYS   3           HA       LYS   3   7.242  10.734   8.170
   18   1HB   LYS   3           HB1      LYS   3   6.071   9.305  10.596
   19   2HB   LYS   3           HB2      LYS   3   6.916   8.554   9.214
   20   1HG   LYS   3           HG1      LYS   3   8.098  10.617  11.165
   21   2HG   LYS   3           HG2      LYS   3   8.450   8.879  11.133
   22   1HD   LYS   3           HD1      LYS   3   9.059   9.747   8.511
   23   2HD   LYS   3           HD2      LYS   3   9.633  11.046   9.552
   24   1HE   LYS   3           HE1      LYS   3  10.257   8.139  10.191
   25   2HE   LYS   3           HE2      LYS   3  11.327   9.144   9.177
   26   1HZ   LYS   3           HZ1      LYS   3  11.338  10.746  11.027
   27   2HZ   LYS   3           HZ2      LYS   3  10.520   9.583  11.988
   28   3HZ   LYS   3           HZ3      LYS   3  12.087   9.263  11.363
   29    H    LYS   4           H        LYS   4   6.101  10.212   6.413
   30    HA   LYS   4           HA       LYS   4   3.199  10.207   6.385
   31   1HB   LYS   4           HB1      LYS   4   5.383  10.497   4.485
   32   2HB   LYS   4           HB2      LYS   4   4.106   9.379   3.909
   33   1HG   LYS   4           HG1      LYS   4   2.373  11.198   4.483
   34   2HG   LYS   4           HG2      LYS   4   3.733  12.298   4.845
   35   1HD   LYS   4           HD1      LYS   4   4.424  11.584   2.314
   36   2HD   LYS   4           HD2      LYS   4   2.656  11.357   2.247
   37   1HE   LYS   4           HE1      LYS   4   2.779  13.673   1.796
   38   2HE   LYS   4           HE2      LYS   4   2.711  13.736   3.616
   39   1HZ   LYS   4           HZ1      LYS   4   5.147  13.689   3.563
   40   2HZ   LYS   4           HZ2      LYS   4   5.106  13.803   1.868
   41   3HZ   LYS   4           HZ3      LYS   4   4.491  15.079   2.785
   42    H    HIS   5           H        HIS   5   2.135   8.311   5.105
   43    HA   HIS   5           HA       HIS   5   3.268   5.715   5.938
   44   1HB   HIS   5           HB1      HIS   5   0.363   6.321   6.397
   45   2HB   HIS   5           HB2      HIS   5   1.335   4.992   7.028
   46    HD1  HIS   5           HD1      HIS   5  -0.128   8.020   8.320
   47    HD2  HIS   5           HD2      HIS   5   3.725   6.322   8.548
   48    HE1  HIS   5           HE1      HIS   5   1.284   9.344  10.071
   49    H    ILE   6           H        ILE   6   3.585   4.774   4.018
   50    HA   ILE   6           HA       ILE   6   1.634   4.338   1.973
   51    HB   ILE   6           HB       ILE   6   4.120   2.828   2.523
   52   1HG1  ILE   6          1HG1      ILE   6   3.524   5.047   0.549
   53   2HG1  ILE   6          2HG1      ILE   6   4.686   5.136   1.904
   54   1HG2  ILE   6          3HG2      ILE   6   2.128   2.459   0.383
   55   2HG2  ILE   6          1HG2      ILE   6   3.851   2.138   0.160
   56   3HG2  ILE   6          2HG2      ILE   6   2.934   1.311   1.436
   57   1HD1  ILE   6           HD2      ILE   6   5.949   3.222   0.536
   58   2HD1  ILE   6           HD3      ILE   6   4.873   3.665  -0.746
   59   3HD1  ILE   6           HD1      ILE   6   5.928   4.907   0.024
   60    H    TYR   7           H        TYR   7  -0.188   3.797   3.326
   61    HA   TYR   7           HA       TYR   7  -0.231   1.107   4.552
   62   1HB   TYR   7           HB1      TYR   7  -2.424   3.243   4.467
   63   2HB   TYR   7           HB2      TYR   7  -2.672   1.546   4.911
   64    HD1  TYR   7           HD1      TYR   7   0.544   2.024   6.085
   65    HD2  TYR   7           HD2      TYR   7  -3.569   2.570   6.938
   66    HE1  TYR   7           HE1      TYR   7   1.230   3.308   8.177
   67    HE2  TYR   7           HE2      TYR   7  -2.985   3.773   9.114
   68    HH   TYR   7           HH       TYR   7  -1.380   4.309  10.495
   69    H    LEU   8           H        LEU   8  -1.368  -0.547   3.763
   70    HA   LEU   8           HA       LEU   8  -2.094  -0.745   0.872
   71    HB   LEU   8           HB1      LEU   8   0.454  -0.763   1.306
   72   2HB   LEU   8           HB2      LEU   8   0.133  -1.720   2.722
   73    HG   LEU   8           HG       LEU   8  -0.518  -3.026   0.086
   74   1HD1  LEU   8          1HD1      LEU   8   1.862  -1.903   0.009
   75   2HD1  LEU   8          2HD1      LEU   8   2.340  -3.419   0.695
   76   3HD1  LEU   8          3HD1      LEU   8   1.369  -3.435  -0.768
   77   1HD2  LEU   8          3HD2      LEU   8  -0.427  -3.513   2.971
   78   2HD2  LEU   8          1HD2      LEU   8  -0.821  -4.627   1.651
   79   3HD2  LEU   8          2HD2      LEU   8   0.846  -4.472   2.245
   80    H    PHE   9           H        PHE   9  -3.674  -2.504   0.775
   81    HA   PHE   9           HA       PHE   9  -4.451  -3.559   3.422
   82   1HB   PHE   9           HB1      PHE   9  -5.963  -1.860   1.420
   83   2HB   PHE   9           HB2      PHE   9  -6.717  -2.705   2.813
   84    HD1  PHE   9           HD2      PHE   9  -4.750  -2.168   4.931
   85    HD2  PHE   9           HD1      PHE   9  -5.861   0.437   1.710
   86    HE1  PHE   9           HE2      PHE   9  -5.281  -0.310   6.563
   87    HE2  PHE   9           HE1      PHE   9  -5.478   2.403   3.207
   88    HZ   PHE   9           HZ       PHE   9  -5.089   2.002   5.684
   89    H    SER  10           H        SER  10  -4.700  -5.869   3.246
   90    HA   SER  10           HA       SER  10  -5.527  -7.032   0.750
   91   1HB   SER  10           HB1      SER  10  -3.003  -6.256   0.633
   92   2HB   SER  10           HB2      SER  10  -2.710  -7.824   1.454
   93    HG   SER  10           HG       SER  10  -2.700  -7.911  -0.925
   94    H    SER  11           H        SER  11  -3.871  -9.522   1.347
   95    HA   SER  11           HA       SER  11  -5.582 -10.651   3.397
   96   1HB   SER  11           HB1      SER  11  -5.956 -10.807   0.421
   97   2HB   SER  11           HB2      SER  11  -6.216 -12.327   1.311
   98    HG   SER  11           HG       SER  11  -8.153 -10.945   1.010
   99    H    ALA  12           H        ALA  12  -3.529 -11.430   0.581
  100    HA   ALA  12           HA       ALA  12  -3.430 -14.234   0.945
  101   1HB   ALA  12           HB2      ALA  12  -2.737 -12.611  -1.089
  102   2HB   ALA  12           HB3      ALA  12  -1.112 -12.875  -0.395
  103   3HB   ALA  12           HB1      ALA  12  -2.103 -14.253  -0.900
  104    H    GLY  13           H        GLY  13  -2.864 -14.428   3.316
  105   1HA   GLY  13           HA1      GLY  13  -1.469 -15.195   4.868
  106   2HA   GLY  13           HA2      GLY  13  -0.905 -16.166   3.488
  107    H    MET  14           H        MET  14   1.133 -15.523   2.404
  108    HA   MET  14           HA       MET  14   2.701 -13.307   3.646
  109   1HB   MET  14           HB1      MET  14   4.354 -14.678   4.153
  110   2HB   MET  14           HB2      MET  14   3.378 -16.077   3.651
  111   1HG   MET  14           HG1      MET  14   5.178 -16.418   2.253
  112   2HG   MET  14           HG2      MET  14   4.412 -15.237   1.191
  113   1HE   MET  14           HE3      MET  14   7.216 -16.284   1.309
  114   2HE   MET  14           HE1      MET  14   8.474 -15.032   1.677
  115   3HE   MET  14           HE2      MET  14   7.749 -16.123   2.922
  116    H    SER  15           H        SER  15   2.047 -11.804   2.234
  117    HA   SER  15           HA       SER  15   3.693 -11.568  -0.051
  118   1HB   SER  15           HB1      SER  15   0.892 -12.507  -0.373
  119   2HB   SER  15           HB2      SER  15   1.459 -11.277  -1.544
  120    HG   SER  15           HG       SER  15   1.890 -13.518  -2.206
  121    H    THR  16           H        THR  16   2.806 -10.101   2.428
  122    HA   THR  16           HA       THR  16   1.992  -7.479   1.384
  123    HB   THR  16           HB       THR  16   0.612  -7.813   3.867
  124    HG1  THR  16           HG1      THR  16  -1.184  -9.070   2.927
  125   1HG2  THR  16          1HG2      THR  16   0.568  -6.228   1.622
  126   2HG2  THR  16          2HG2      THR  16  -1.031  -6.944   1.686
  127   3HG2  THR  16          3HG2      THR  16  -0.428  -6.078   3.079
  128    H    SER  17           H        SER  17   2.830  -9.317   4.432
  129    HA   SER  17           HA       SER  17   3.598  -7.134   5.959
  130   1HB   SER  17           HB1      SER  17   3.974 -10.100   6.006
  131   2HB   SER  17           HB2      SER  17   5.150  -9.147   7.011
  132    HG   SER  17           HG       SER  17   3.236  -9.893   8.136
  133    H    LEU  18           H        LEU  18   5.900  -9.601   4.638
  134    HA   LEU  18           HA       LEU  18   8.116  -7.798   4.993
  135   1HB   LEU  18           HB1      LEU  18   9.333  -9.900   5.024
  136   2HB   LEU  18           HB2      LEU  18   7.709 -10.585   5.222
  137    HG   LEU  18           HG       LEU  18   8.644 -11.946   3.672
  138   1HD1  LEU  18          2HD1      LEU  18   6.471 -11.270   2.851
  139   2HD1  LEU  18          3HD1      LEU  18   7.336 -10.245   1.743
  140   3HD1  LEU  18          1HD1      LEU  18   7.640 -12.010   1.803
  141   1HD2  LEU  18          3HD2      LEU  18  10.234  -9.549   2.894
  142   2HD2  LEU  18          1HD2      LEU  18  10.693 -11.230   2.931
  143   3HD2  LEU  18          2HD2      LEU  18   9.790 -10.567   1.558
  144    H    LEU  19           H        LEU  19   5.829  -7.948   2.634
  145    HA   LEU  19           HA       LEU  19   7.300  -6.734   0.503
  146   1HB   LEU  19           HB1      LEU  19   4.600  -7.352   1.324
  147   2HB   LEU  19           HB2      LEU  19   4.647  -5.612   1.077
  148    HG   LEU  19           HG       LEU  19   5.297  -7.728  -0.828
  149   1HD1  LEU  19          2HD1      LEU  19   2.688  -7.355  -0.343
  150   2HD1  LEU  19          3HD1      LEU  19   2.930  -6.141  -1.578
  151   3HD1  LEU  19          1HD1      LEU  19   3.425  -7.847  -1.855
  152   1HD2  LEU  19          1HD2      LEU  19   6.295  -5.232  -0.846
  153   2HD2  LEU  19          2HD2      LEU  19   6.057  -6.214  -2.329
  154   3HD2  LEU  19          3HD2      LEU  19   4.897  -4.934  -1.922
  155    H    VAL  20           H        VAL  20   5.081  -5.417   2.921
  156    HA   VAL  20           HA       VAL  20   5.834  -2.684   2.832
  157    HB   VAL  20           HB       VAL  20   4.184  -4.546   4.494
  158   1HG1  VAL  20          1HG1      VAL  20   5.358  -3.439   6.245
  159   2HG1  VAL  20          2HG1      VAL  20   4.731  -1.880   5.731
  160   3HG1  VAL  20          3HG1      VAL  20   3.619  -3.102   6.309
  161   1HG2  VAL  20          3HG2      VAL  20   3.569  -2.640   2.499
  162   2HG2  VAL  20          1HG2      VAL  20   2.460  -3.523   3.552
  163   3HG2  VAL  20          2HG2      VAL  20   3.044  -1.866   3.979
  164    H    SER  21           H        SER  21   7.376  -5.479   4.274
  165    HA   SER  21           HA       SER  21   8.927  -3.826   6.166
  166   1HB   SER  21           HB1      SER  21   9.120  -6.848   6.269
  167   2HB   SER  21           HB2      SER  21   9.197  -5.599   7.552
  168    HG   SER  21           HG       SER  21   7.257  -7.015   7.500
  169    H    LYS  22           H        LYS  22   9.163  -5.848   3.203
  170    HA   LYS  22           HA       LYS  22  12.015  -5.889   3.074
  171   1HB   LYS  22           HB1      LYS  22  10.561  -7.540   1.894
  172   2HB   LYS  22           HB2      LYS  22  10.006  -6.139   0.884
  173   1HG   LYS  22           HG1      LYS  22  12.248  -5.739   0.043
  174   2HG   LYS  22           HG2      LYS  22  12.917  -7.037   1.060
  175   1HD   LYS  22           HD1      LYS  22  10.798  -7.631  -0.973
  176   2HD   LYS  22           HD2      LYS  22  12.520  -7.547  -1.442
  177   1HE   LYS  22           HE1      LYS  22  13.031  -9.163   0.526
  178   2HE   LYS  22           HE2      LYS  22  11.264  -9.384   0.643
  179   1HZ   LYS  22           HZ1      LYS  22  11.295 -10.024  -1.745
  180   2HZ   LYS  22           HZ2      LYS  22  12.977  -9.958  -1.691
  181   3HZ   LYS  22           HZ3      LYS  22  12.171 -11.094  -0.710
  182    H    MET  23           H        MET  23   9.299  -4.016   1.697
  183    HA   MET  23           HA       MET  23  10.436  -2.038   0.338
  184   1HB   MET  23           HB1      MET  23   7.969  -2.553   1.797
  185   2HB   MET  23           HB2      MET  23   8.345  -0.814   1.558
  186   1HG   MET  23           HG1      MET  23   8.949  -1.728  -0.852
  187   2HG   MET  23           HG2      MET  23   7.839  -3.014  -0.443
  188   1HE   MET  23           HE3      MET  23   5.940  -1.317   1.485
  189   2HE   MET  23           HE1      MET  23   4.691  -0.537   0.439
  190   3HE   MET  23           HE2      MET  23   5.024  -2.268   0.299
  191    H    ARG  24           H        ARG  24   9.492  -1.936   3.844
  192    HA   ARG  24           HA       ARG  24  10.565   0.352   4.835
  193   1HB   ARG  24           HB1      ARG  24   9.885  -2.233   5.872
  194   2HB   ARG  24           HB2      ARG  24  11.338  -1.676   6.669
  195   1HG   ARG  24           HG1      ARG  24   9.619  -0.894   8.029
  196   2HG   ARG  24           HG2      ARG  24  10.021   0.543   7.073
  197   1HD   ARG  24           HD1      ARG  24   7.845   0.673   6.549
  198   2HD   ARG  24           HD2      ARG  24   8.085  -0.789   5.567
  199    HE   ARG  24           HE       ARG  24   6.607  -1.764   6.957
  200   1HH1  ARG  24          2HH1      ARG  24   8.297   0.532   8.773
  201   2HH1  ARG  24          1HH1      ARG  24   7.721  -0.236  10.449
  202   1HH2  ARG  24          2HH2      ARG  24   5.894  -2.467   8.802
  203   2HH2  ARG  24          1HH2      ARG  24   6.555  -1.748  10.426
  204    H    ALA  25           H        ALA  25  12.089  -2.635   3.841
  205    HA   ALA  25           HA       ALA  25  14.693  -2.191   4.828
  206   1HB   ALA  25           HB2      ALA  25  13.417  -4.369   3.875
  207   2HB   ALA  25           HB3      ALA  25  14.505  -4.063   2.491
  208   3HB   ALA  25           HB1      ALA  25  15.175  -4.225   4.117
  209    H    GLN  26           H        GLN  26  13.355  -1.349   1.545
  210    HA   GLN  26           HA       GLN  26  15.760  -0.007   0.678
  211   1HB   GLN  26           HB1      GLN  26  13.744   1.538  -0.460
  212   2HB   GLN  26           HB2      GLN  26  14.441   0.090  -1.179
  213   1HG   GLN  26           HG1      GLN  26  11.756  -0.036   0.329
  214   2HG   GLN  26           HG2      GLN  26  12.008   0.421  -1.359
  215   1HE2  GLN  26          1HE2      GLN  26  13.417  -3.280  -1.185
  216   2HE2  GLN  26          2HE2      GLN  26  14.412  -1.816  -1.100
  217    H    ALA  27           H        ALA  27  12.767   1.127   2.474
  218    HA   ALA  27           HA       ALA  27  13.506   3.934   2.042
  219   1HB   ALA  27           HB1      ALA  27  11.079   2.610   2.183
  220   2HB   ALA  27           HB2      ALA  27  11.234   3.261   3.823
  221   3HB   ALA  27           HB3      ALA  27  11.257   4.321   2.404
  222    H    GLU  28           H        GLU  28  14.427   1.669   4.248
  223    HA   GLU  28           HA       GLU  28  15.325   3.844   6.072
  224   1HB   GLU  28           HB1      GLU  28  14.599   0.991   6.919
  225   2HB   GLU  28           HB2      GLU  28  15.419   2.201   7.953
  226   1HG   GLU  28           HG1      GLU  28  13.251   3.628   6.930
  227   2HG   GLU  28           HG2      GLU  28  12.557   2.010   7.173
  228    H    LYS  29           H        LYS  29  16.154   0.929   4.152
  229    HA   LYS  29           HA       LYS  29  18.854   0.775   4.330
  230   1HB   LYS  29           HB1      LYS  29  17.992  -0.566   2.789
  231   2HB   LYS  29           HB2      LYS  29  16.893   0.702   2.132
  232   1HG   LYS  29           HG1      LYS  29  18.535   1.624   0.742
  233   2HG   LYS  29           HG2      LYS  29  19.856   1.087   1.804
  234   1HD   LYS  29           HD1      LYS  29  20.030  -0.043  -0.270
  235   2HD   LYS  29           HD2      LYS  29  19.524  -1.269   0.915
  236   1HE   LYS  29           HE1      LYS  29  17.362  -1.412  -0.085
  237   2HE   LYS  29           HE2      LYS  29  17.369   0.348  -0.379
  238   1HZ   LYS  29           HZ1      LYS  29  18.948  -0.053  -2.190
  239   2HZ   LYS  29           HZ2      LYS  29  18.802  -1.738  -1.950
  240   3HZ   LYS  29           HZ3      LYS  29  17.456  -0.768  -2.456
  241    H    TYR  30           H        TYR  30  16.893   3.534   3.475
  242    HA   TYR  30           HA       TYR  30  19.048   5.102   2.298
  243   1HB   TYR  30           HB1      TYR  30  16.075   5.073   1.896
  244   2HB   TYR  30           HB2      TYR  30  17.096   6.345   1.287
  245    HD1  TYR  30           HD2      TYR  30  19.497   5.081   0.403
  246    HD2  TYR  30           HD1      TYR  30  15.419   3.607   0.241
  247    HE1  TYR  30           HE2      TYR  30  20.104   3.595  -1.569
  248    HE2  TYR  30           HE1      TYR  30  16.056   1.975  -1.559
  249    HH   TYR  30           HH       TYR  30  19.356   2.253  -3.089
  250    H    GLU  31           H        GLU  31  16.036   6.524   3.301
  251    HA   GLU  31           HA       GLU  31  16.648   7.696   5.742
  252   1HB   GLU  31           HB1      GLU  31  17.819   9.019   3.328
  253   2HB   GLU  31           HB2      GLU  31  16.992  10.109   4.467
  254   1HG   GLU  31           HG1      GLU  31  18.435   9.006   6.349
  255   2HG   GLU  31           HG2      GLU  31  19.359   8.301   5.005
  256    H    VAL  32           H        VAL  32  14.388   6.584   4.108
  257    HA   VAL  32           HA       VAL  32  13.009   8.805   2.789
  258    HB   VAL  32           HB       VAL  32  12.360   5.864   2.703
  259   1HG1  VAL  32          1HG1      VAL  32  10.712   7.766   1.964
  260   2HG1  VAL  32          2HG1      VAL  32  11.544   7.452   0.414
  261   3HG1  VAL  32          3HG1      VAL  32  10.724   6.167   1.293
  262   1HG2  VAL  32          2HG2      VAL  32  14.778   6.942   1.808
  263   2HG2  VAL  32          3HG2      VAL  32  13.994   5.619   1.007
  264   3HG2  VAL  32          1HG2      VAL  32  13.711   7.270   0.411
  265    HA   PRO  33           HA       PRO  33  10.941   8.874   6.765
  266   1HB   PRO  33           HB1      PRO  33  10.040  11.418   6.787
  267   2HB   PRO  33           HB2      PRO  33  11.775  11.049   6.840
  268   1HG   PRO  33           HG1      PRO  33  10.131  11.652   4.296
  269   2HG   PRO  33           HG2      PRO  33  11.575  12.491   4.882
  270   1HD   PRO  33           HD2      PRO  33  11.783  10.396   3.059
  271   2HD   PRO  33           HD1      PRO  33  12.966  10.542   4.390
  272    H    VAL  34           H        VAL  34   9.465   7.623   4.583
  273    HA   VAL  34           HA       VAL  34   6.746   7.996   5.621
  274    HB   VAL  34           HB       VAL  34   7.917   6.801   3.201
  275   1HG1  VAL  34          2HG1      VAL  34   7.036   4.768   4.282
  276   2HG1  VAL  34          3HG1      VAL  34   5.420   5.408   4.109
  277   3HG1  VAL  34          1HG1      VAL  34   6.425   5.244   2.676
  278   1HG2  VAL  34          2HG2      VAL  34   6.232   8.941   3.694
  279   2HG2  VAL  34          3HG2      VAL  34   6.269   8.055   2.170
  280   3HG2  VAL  34          1HG2      VAL  34   5.089   7.597   3.433
  281    H    ILE  35           H        ILE  35   5.641   6.113   6.635
  282    HA   ILE  35           HA       ILE  35   7.191   3.682   7.158
  283    HB   ILE  35           HB       ILE  35   4.726   4.651   8.520
  284   1HG1  ILE  35          1HG1      ILE  35   7.146   5.623   9.050
  285   2HG1  ILE  35          2HG1      ILE  35   6.001   5.246  10.372
  286   1HG2  ILE  35          2HG2      ILE  35   5.949   1.964   8.702
  287   2HG2  ILE  35          3HG2      ILE  35   5.081   2.600  10.042
  288   3HG2  ILE  35          1HG2      ILE  35   4.247   2.541   8.501
  289   1HD1  ILE  35           HD3      ILE  35   8.108   3.228   9.584
  290   2HD1  ILE  35           HD1      ILE  35   8.415   4.661  10.610
  291   3HD1  ILE  35           HD2      ILE  35   7.345   3.360  11.117
  292    H    ILE  36           H        ILE  36   6.266   1.745   6.375
  293    HA   ILE  36           HA       ILE  36   3.894   1.714   4.569
  294    HB   ILE  36           HB       ILE  36   5.505  -0.618   4.439
  295   1HG1  ILE  36          1HG1      ILE  36   7.313   1.277   4.662
  296   2HG1  ILE  36          2HG1      ILE  36   7.412   0.185   3.277
  297   1HG2  ILE  36          2HG2      ILE  36   3.484   0.459   3.056
  298   2HG2  ILE  36          3HG2      ILE  36   4.826   0.616   1.960
  299   3HG2  ILE  36          1HG2      ILE  36   4.524  -0.968   2.688
  300   1HD1  ILE  36           HD2      ILE  36   5.995   2.482   2.316
  301   2HD1  ILE  36           HD3      ILE  36   7.241   3.088   3.345
  302   3HD1  ILE  36           HD1      ILE  36   7.642   1.855   2.083
  303    H    GLU  37           H        GLU  37   2.111   0.875   5.551
  304    HA   GLU  37           HA       GLU  37   2.457  -1.554   7.144
  305   1HB   GLU  37           HB1      GLU  37   0.758   0.836   7.958
  306   2HB   GLU  37           HB2      GLU  37   0.463  -0.775   8.613
  307   1HG   GLU  37           HG1      GLU  37   3.284  -0.273   8.897
  308   2HG   GLU  37           HG2      GLU  37   2.424   1.173   9.483
  309    H    ALA  38           H        ALA  38   0.224  -2.755   7.300
  310    HA   ALA  38           HA       ALA  38  -0.861  -2.818   4.662
  311   1HB   ALA  38           HB2      ALA  38   1.520  -4.075   5.298
  312   2HB   ALA  38           HB3      ALA  38   0.382  -5.340   5.736
  313   3HB   ALA  38           HB1      ALA  38   0.459  -4.763   4.078
  314    H    PHE  39           H        PHE  39  -3.099  -3.200   5.285
  315    HA   PHE  39           HA       PHE  39  -3.660  -4.522   7.868
  316   1HB   PHE  39           HB1      PHE  39  -5.450  -2.396   6.652
  317   2HB   PHE  39           HB2      PHE  39  -5.455  -3.138   8.264
  318    HD1  PHE  39           HD2      PHE  39  -2.307  -1.965   6.585
  319    HD2  PHE  39           HD1      PHE  39  -5.446  -1.134   9.455
  320    HE1  PHE  39           HE2      PHE  39  -1.000  -0.044   7.458
  321    HE2  PHE  39           HE1      PHE  39  -3.907   0.464  10.614
  322    HZ   PHE  39           HZ       PHE  39  -1.863   1.260   9.408
  323    HA   PRO  40           HA       PRO  40  -6.510  -7.060   5.467
  324   1HB   PRO  40           HB1      PRO  40  -8.354  -7.855   7.290
  325   2HB   PRO  40           HB2      PRO  40  -6.611  -8.262   7.341
  326   1HG   PRO  40           HG1      PRO  40  -8.110  -6.308   9.126
  327   2HG   PRO  40           HG2      PRO  40  -6.547  -7.115   9.389
  328   1HD   PRO  40           HD2      PRO  40  -7.097  -4.366   8.205
  329   2HD   PRO  40           HD1      PRO  40  -5.565  -5.087   8.800
  330    H    GLU  41           H        GLU  41  -7.027  -5.074   4.254
  331    HA   GLU  41           HA       GLU  41  -8.369  -3.246   3.631
  332   1HB   GLU  41           HB1      GLU  41  -9.981  -4.126   2.013
  333   2HB   GLU  41           HB2      GLU  41  -8.492  -5.139   2.023
  334   1HG   GLU  41           HG1      GLU  41  -9.762  -6.634   3.700
  335   2HG   GLU  41           HG2      GLU  41 -11.179  -5.601   3.391
  336    H    THR  42           H        THR  42  -9.053  -3.635   6.337
  337    HA   THR  42           HA       THR  42 -11.985  -3.341   6.518
  338    HB   THR  42           HB       THR  42 -12.045  -5.201   7.768
  339    HG1  THR  42           HG1      THR  42 -11.536  -4.824  10.053
  340   1HG2  THR  42          3HG2      THR  42  -9.258  -5.051   7.574
  341   2HG2  THR  42          1HG2      THR  42  -9.930  -5.844   9.052
  342   3HG2  THR  42          2HG2      THR  42 -10.337  -6.436   7.458
  343    H    LEU  43           H        LEU  43  -9.024  -1.807   6.788
  344    HA   LEU  43           HA       LEU  43  -9.814   0.058   8.874
  345   1HB   LEU  43           HB1      LEU  43  -7.244  -1.599   8.407
  346   2HB   LEU  43           HB2      LEU  43  -7.084   0.035   9.094
  347    HG   LEU  43           HG       LEU  43  -7.523  -0.598  11.106
  348   1HD1  LEU  43          3HD1      LEU  43  -9.923  -2.079  10.259
  349   2HD1  LEU  43          1HD1      LEU  43  -9.251  -2.035  11.907
  350   3HD1  LEU  43          2HD1      LEU  43  -9.850  -0.560  11.112
  351   1HD2  LEU  43          2HD2      LEU  43  -7.032  -3.261   9.810
  352   2HD2  LEU  43          3HD2      LEU  43  -6.082  -2.450  11.073
  353   3HD2  LEU  43          1HD2      LEU  43  -7.597  -3.208  11.491
  354    H    ALA  44           H        ALA  44  -9.516  -0.212   5.639
  355    HA   ALA  44           HA       ALA  44  -7.523   1.641   4.836
  356   1HB   ALA  44           HB3      ALA  44  -9.475  -0.102   3.641
  357   2HB   ALA  44           HB1      ALA  44  -9.573   1.526   2.904
  358   3HB   ALA  44           HB2      ALA  44  -8.080   0.604   2.855
  359    H    GLY  45           H        GLY  45 -11.080   1.837   5.405
  360   1HA   GLY  45           HA1      GLY  45 -11.734   4.425   5.069
  361   2HA   GLY  45           HA2      GLY  45 -12.257   3.439   6.447
  362    H    GLU  46           H        GLU  46 -10.230   3.128   8.093
  363    HA   GLU  46           HA       GLU  46 -10.073   5.761   9.306
  364   1HB   GLU  46           HB1      GLU  46 -10.766   3.709  10.592
  365   2HB   GLU  46           HB2      GLU  46  -9.116   3.042  10.329
  366   1HG   GLU  46           HG1      GLU  46  -9.795   4.368  12.572
  367   2HG   GLU  46           HG2      GLU  46  -8.169   4.470  11.849
  368    H    LYS  47           H        LYS  47  -7.798   3.075   8.263
  369    HA   LYS  47           HA       LYS  47  -5.545   4.457   9.361
  370   1HB   LYS  47           HB1      LYS  47  -5.758   1.872   7.921
  371   2HB   LYS  47           HB2      LYS  47  -4.300   2.461   8.726
  372   1HG   LYS  47           HG1      LYS  47  -6.945   2.199  10.181
  373   2HG   LYS  47           HG2      LYS  47  -5.766   0.872  10.131
  374   1HD   LYS  47           HD1      LYS  47  -4.133   2.329  11.346
  375   2HD   LYS  47           HD2      LYS  47  -5.197   3.734  11.082
  376   1HE   LYS  47           HE1      LYS  47  -6.968   2.737  12.445
  377   2HE   LYS  47           HE2      LYS  47  -5.962   1.316  12.848
  378   1HZ   LYS  47           HZ1      LYS  47  -4.313   2.817  13.761
  379   2HZ   LYS  47           HZ2      LYS  47  -5.370   4.138  13.500
  380   3HZ   LYS  47           HZ3      LYS  47  -5.802   2.924  14.582
  381    H    GLY  48           H        GLY  48  -6.965   3.667   6.230
  382   1HA   GLY  48           HA1      GLY  48  -4.873   4.737   4.620
  383   2HA   GLY  48           HA2      GLY  48  -6.479   4.205   4.074
  384    H    GLN  49           H        GLN  49  -7.879   6.067   6.007
  385    HA   GLN  49           HA       GLN  49  -7.504   8.635   4.731
  386   1HB   GLN  49           HB1      GLN  49  -9.552   9.178   5.737
  387   2HB   GLN  49           HB2      GLN  49  -9.682   7.401   5.837
  388   1HG   GLN  49           HG1      GLN  49  -9.094   7.423   8.202
  389   2HG   GLN  49           HG2      GLN  49  -8.637   9.157   8.069
  390   1HE2  GLN  49          1HE2      GLN  49 -12.041   8.860   9.572
  391   2HE2  GLN  49          2HE2      GLN  49 -10.642   7.759   9.846
  392    H    ASN  50           H        ASN  50  -5.983   6.868   7.249
  393    HA   ASN  50           HA       ASN  50  -4.756   9.259   8.408
  394   1HB   ASN  50           HB1      ASN  50  -4.848   6.335   9.198
  395   2HB   ASN  50           HB2      ASN  50  -3.467   7.300   9.727
  396   1HD2  ASN  50          1HD2      ASN  50  -5.890   7.634  12.441
  397   2HD2  ASN  50          2HD2      ASN  50  -4.573   6.561  11.883
  398    H    ALA  51           H        ALA  51  -4.263   6.849   5.926
  399    HA   ALA  51           HA       ALA  51  -1.471   6.658   5.930
  400   1HB   ALA  51           HB1      ALA  51  -3.011   5.030   4.814
  401   2HB   ALA  51           HB2      ALA  51  -3.300   6.231   3.560
  402   3HB   ALA  51           HB3      ALA  51  -1.685   5.539   3.764
  403    H    ASP  52           H        ASP  52  -0.135   7.371   3.913
  404    HA   ASP  52           HA       ASP  52  -0.795   9.917   2.747
  405   1HB   ASP  52           HB1      ASP  52   1.552   9.632   3.248
  406   2HB   ASP  52           HB2      ASP  52   1.493   7.967   2.625
  407    H    VAL  53           H        VAL  53  -0.776   6.462   2.027
  408    HA   VAL  53           HA       VAL  53  -2.248   6.773  -0.434
  409    HB   VAL  53           HB       VAL  53   0.361   5.330  -0.547
  410   1HG1  VAL  53          2HG1      VAL  53  -1.752   4.657  -2.033
  411   2HG1  VAL  53          3HG1      VAL  53  -0.909   5.737  -3.096
  412   3HG1  VAL  53          1HG1      VAL  53  -0.026   4.418  -2.385
  413   1HG2  VAL  53          3HG2      VAL  53  -0.433   8.149  -1.185
  414   2HG2  VAL  53          1HG2      VAL  53   1.160   7.452  -0.823
  415   3HG2  VAL  53          2HG2      VAL  53   0.494   7.350  -2.455
  416    H    VAL  54           H        VAL  54  -3.411   4.802  -1.035
  417    HA   VAL  54           HA       VAL  54  -3.769   3.016   1.278
  418    HB   VAL  54           HB       VAL  54  -5.907   4.620  -0.128
  419   1HG1  VAL  54          1HG1      VAL  54  -6.324   2.091   0.653
  420   2HG1  VAL  54          2HG1      VAL  54  -6.898   3.047   2.038
  421   3HG1  VAL  54          3HG1      VAL  54  -7.584   3.298   0.443
  422   1HG2  VAL  54          1HG2      VAL  54  -4.801   4.484   2.686
  423   2HG2  VAL  54          2HG2      VAL  54  -4.818   5.923   1.700
  424   3HG2  VAL  54          3HG2      VAL  54  -6.348   5.251   2.265
  425    H    LEU  55           H        LEU  55  -2.759   1.214   0.180
  426    HA   LEU  55           HA       LEU  55  -3.331   0.812  -2.678
  427   1HB   LEU  55           HB1      LEU  55  -1.036   1.326  -2.163
  428   2HB   LEU  55           HB2      LEU  55  -1.104   0.338  -0.689
  429    HG   LEU  55           HG       LEU  55  -0.778  -1.588  -1.810
  430   1HD1  LEU  55          1HD1      LEU  55  -2.289  -1.120  -3.757
  431   2HD1  LEU  55          2HD1      LEU  55  -0.907  -0.455  -4.607
  432   3HD1  LEU  55          3HD1      LEU  55  -0.829  -2.076  -4.073
  433   1HD2  LEU  55          3HD2      LEU  55   1.037   0.709  -2.397
  434   2HD2  LEU  55          1HD2      LEU  55   1.415  -0.896  -1.759
  435   3HD2  LEU  55          2HD2      LEU  55   1.245  -0.649  -3.497
  436    H    LEU  56           H        LEU  56  -4.544  -1.013  -3.151
  437    HA   LEU  56           HA       LEU  56  -5.492  -2.648  -0.844
  438   1HB   LEU  56           HB1      LEU  56  -6.627  -1.159  -3.241
  439   2HB   LEU  56           HB2      LEU  56  -7.328  -2.802  -3.044
  440    HG   LEU  56           HG       LEU  56  -8.511  -0.778  -2.132
  441   1HD1  LEU  56          1HD1      LEU  56  -8.926  -3.248  -1.758
  442   2HD1  LEU  56          2HD1      LEU  56  -8.583  -2.868  -0.096
  443   3HD1  LEU  56          3HD1      LEU  56  -9.800  -1.928  -0.960
  444   1HD2  LEU  56          2HD2      LEU  56  -6.143  -0.933  -0.283
  445   2HD2  LEU  56          3HD2      LEU  56  -7.146   0.481  -0.599
  446   3HD2  LEU  56          1HD2      LEU  56  -7.727  -0.775   0.479
  447    H    GLY  57           H        GLY  57  -4.989  -4.861  -0.941
  448   1HA   GLY  57           HA1      GLY  57  -3.732  -6.449  -2.589
  449   2HA   GLY  57           HA2      GLY  57  -5.334  -6.934  -1.938
  450    HA   PRO  58           HA       PRO  58  -5.610  -6.394  -6.585
  451   1HB   PRO  58           HB1      PRO  58  -3.906  -7.910  -7.955
  452   2HB   PRO  58           HB2      PRO  58  -3.434  -6.337  -7.300
  453   1HG   PRO  58           HG1      PRO  58  -2.866  -9.174  -6.150
  454   2HG   PRO  58           HG2      PRO  58  -1.794  -7.757  -6.169
  455   1HD   PRO  58           HD2      PRO  58  -3.494  -8.437  -3.925
  456   2HD   PRO  58           HD1      PRO  58  -2.734  -6.832  -4.208
  457    H    GLN  59           H        GLN  59  -5.293  -9.338  -4.814
  458    HA   GLN  59           HA       GLN  59  -7.396 -10.852  -6.249
  459   1HB   GLN  59           HB1      GLN  59  -6.876 -12.444  -4.563
  460   2HB   GLN  59           HB2      GLN  59  -5.310 -11.655  -4.982
  461   1HG   GLN  59           HG1      GLN  59  -6.219 -10.044  -3.018
  462   2HG   GLN  59           HG2      GLN  59  -6.861 -11.599  -2.441
  463   1HE2  GLN  59          1HE2      GLN  59  -3.053 -12.459  -2.986
  464   2HE2  GLN  59          2HE2      GLN  59  -4.530 -13.123  -3.753
  465    H    ILE  60           H        ILE  60  -7.148  -8.288  -3.900
  466    HA   ILE  60           HA       ILE  60  -9.882  -8.657  -2.976
  467    HB   ILE  60           HB       ILE  60  -9.519  -7.711  -0.956
  468   1HG1  ILE  60          1HG1      ILE  60  -6.888  -6.970  -0.616
  469   2HG1  ILE  60          2HG1      ILE  60  -7.149  -6.454  -2.301
  470   1HG2  ILE  60          2HG2      ILE  60  -7.705  -9.869  -1.688
  471   2HG2  ILE  60          3HG2      ILE  60  -7.248  -9.036  -0.246
  472   3HG2  ILE  60          1HG2      ILE  60  -8.876  -9.656  -0.357
  473   1HD1  ILE  60           HD2      ILE  60  -9.300  -5.253  -0.910
  474   2HD1  ILE  60           HD3      ILE  60  -7.981  -5.170   0.204
  475   3HD1  ILE  60           HD1      ILE  60  -7.699  -4.633  -1.448
  476    H    ALA  61           H        ALA  61  -8.150  -7.210  -5.312
  477    HA   ALA  61           HA       ALA  61  -8.334  -4.681  -5.728
  478   1HB   ALA  61           HB2      ALA  61  -8.138  -6.319  -7.590
  479   2HB   ALA  61           HB3      ALA  61  -9.849  -6.677  -7.453
  480   3HB   ALA  61           HB1      ALA  61  -9.321  -5.071  -7.993
  481    H    TYR  62           H        TYR  62 -11.261  -6.740  -5.347
  482    HA   TYR  62           HA       TYR  62 -13.146  -5.253  -6.716
  483   1HB   TYR  62           HB1      TYR  62 -14.814  -6.543  -5.579
  484   2HB   TYR  62           HB2      TYR  62 -13.434  -7.581  -6.049
  485    HD1  TYR  62           HD1      TYR  62 -11.740  -6.511  -3.532
  486    HD2  TYR  62           HD2      TYR  62 -15.669  -8.205  -4.090
  487    HE1  TYR  62           HE1      TYR  62 -11.644  -7.553  -1.232
  488    HE2  TYR  62           HE2      TYR  62 -15.125  -9.853  -2.244
  489    HH   TYR  62           HH       TYR  62 -14.204  -9.924  -0.259
  490    H    MET  63           H        MET  63 -11.689  -4.639  -3.548
  491    HA   MET  63           HA       MET  63 -13.927  -3.697  -2.111
  492   1HB   MET  63           HB1      MET  63 -10.934  -3.836  -1.657
  493   2HB   MET  63           HB2      MET  63 -11.929  -2.834  -0.593
  494   1HG   MET  63           HG1      MET  63 -13.185  -5.479  -0.940
  495   2HG   MET  63           HG2      MET  63 -11.474  -5.675  -0.504
  496   1HE   MET  63           HE1      MET  63 -14.679  -5.377   0.245
  497   2HE   MET  63           HE2      MET  63 -14.610  -6.049   1.885
  498   3HE   MET  63           HE3      MET  63 -15.065  -4.350   1.661
  499    H    LEU  64           H        LEU  64 -12.191  -2.208  -4.596
  500    HA   LEU  64           HA       LEU  64 -10.939   0.024  -3.405
  501   1HB   LEU  64           HB1      LEU  64 -10.579  -1.497  -5.587
  502   2HB   LEU  64           HB2      LEU  64 -11.684  -0.343  -6.355
  503    HG   LEU  64           HG       LEU  64  -8.962   0.258  -5.206
  504   1HD1  LEU  64          2HD1      LEU  64  -9.368  -0.912  -7.675
  505   2HD1  LEU  64          3HD1      LEU  64  -9.007   0.813  -7.942
  506   3HD1  LEU  64          1HD1      LEU  64  -7.966  -0.228  -6.919
  507   1HD2  LEU  64          3HD2      LEU  64 -10.730   2.269  -5.162
  508   2HD2  LEU  64          1HD2      LEU  64  -9.183   2.490  -5.981
  509   3HD2  LEU  64          2HD2      LEU  64 -10.651   2.140  -6.905
  510    HA   PRO  65           HA       PRO  65 -14.475   2.467  -5.415
  511   1HB   PRO  65           HB1      PRO  65 -16.744   1.299  -6.480
  512   2HB   PRO  65           HB2      PRO  65 -15.173   1.266  -7.315
  513   1HG   PRO  65           HG1      PRO  65 -16.414  -0.841  -5.376
  514   2HG   PRO  65           HG2      PRO  65 -15.800  -1.125  -6.986
  515   1HD   PRO  65           HD2      PRO  65 -14.188  -1.512  -4.769
  516   2HD   PRO  65           HD1      PRO  65 -13.484  -0.909  -6.307
  517    H    GLU  66           H        GLU  66 -15.657   0.025  -3.254
  518    HA   GLU  66           HA       GLU  66 -17.326   1.585  -1.577
  519   1HB   GLU  66           HB1      GLU  66 -17.042  -0.885  -1.462
  520   2HB   GLU  66           HB2      GLU  66 -15.332  -0.651  -1.034
  521   1HG   GLU  66           HG1      GLU  66 -16.118  -0.877   1.125
  522   2HG   GLU  66           HG2      GLU  66 -16.595   0.842   0.939
  523    H    ILE  67           H        ILE  67 -13.764   1.023  -1.827
  524    HA   ILE  67           HA       ILE  67 -12.886   2.084   0.579
  525    HB   ILE  67           HB       ILE  67 -11.381   1.669  -1.923
  526   1HG1  ILE  67          1HG1      ILE  67 -12.602  -0.187  -0.112
  527   2HG1  ILE  67          2HG1      ILE  67 -11.393  -0.543  -1.311
  528   1HG2  ILE  67          1HG2      ILE  67 -10.334   3.292  -0.484
  529   2HG2  ILE  67          2HG2      ILE  67 -10.082   2.029   0.722
  530   3HG2  ILE  67          3HG2      ILE  67  -9.324   1.860  -0.821
  531   1HD1  ILE  67           HD2      ILE  67 -10.720   0.058   1.598
  532   2HD1  ILE  67           HD3      ILE  67 -10.829  -1.476   0.844
  533   3HD1  ILE  67           HD1      ILE  67  -9.640  -0.347   0.167
  534    H    GLN  68           H        GLN  68 -13.621   3.421  -2.608
  535    HA   GLN  68           HA       GLN  68 -12.649   6.087  -2.264
  536   1HB   GLN  68           HB1      GLN  68 -14.496   4.524  -4.103
  537   2HB   GLN  68           HB2      GLN  68 -14.665   6.299  -4.139
  538   1HG   GLN  68           HG1      GLN  68 -12.916   4.798  -5.699
  539   2HG   GLN  68           HG2      GLN  68 -12.741   6.529  -5.431
  540   1HE2  GLN  68          1HE2      GLN  68  -9.798   6.121  -3.476
  541   2HE2  GLN  68          2HE2      GLN  68 -11.016   7.276  -4.070
  542    H    ARG  69           H        ARG  69 -15.863   4.380  -1.866
  543    HA   ARG  69           HA       ARG  69 -17.604   6.424  -1.496
  544   1HB   ARG  69           HB1      ARG  69 -17.617   3.636  -1.105
  545   2HB   ARG  69           HB2      ARG  69 -18.142   4.340   0.454
  546   1HG   ARG  69           HG1      ARG  69 -20.182   4.705  -0.424
  547   2HG   ARG  69           HG2      ARG  69 -19.490   5.734  -1.675
  548   1HD   ARG  69           HD1      ARG  69 -19.281   2.763  -2.096
  549   2HD   ARG  69           HD2      ARG  69 -20.832   3.619  -2.415
  550    HE   ARG  69           HE       ARG  69 -18.312   3.829  -3.883
  551   1HH1  ARG  69          2HH1      ARG  69 -21.125   5.574  -3.086
  552   2HH1  ARG  69          1HH1      ARG  69 -20.977   6.686  -4.618
  553   1HH2  ARG  69          2HH2      ARG  69 -18.424   4.883  -5.715
  554   2HH2  ARG  69          1HH2      ARG  69 -19.731   6.251  -5.966
  555    H    LEU  70           H        LEU  70 -15.051   5.332   0.676
  556    HA   LEU  70           HA       LEU  70 -15.792   6.978   2.941
  557   1HB   LEU  70           HB1      LEU  70 -13.845   4.750   2.202
  558   2HB   LEU  70           HB2      LEU  70 -13.524   5.684   3.667
  559    HG   LEU  70           HG       LEU  70 -14.964   4.518   4.853
  560   1HD1  LEU  70          2HD1      LEU  70 -16.974   5.327   2.976
  561   2HD1  LEU  70          3HD1      LEU  70 -17.249   3.841   3.889
  562   3HD1  LEU  70          1HD1      LEU  70 -16.789   5.344   4.737
  563   1HD2  LEU  70          2HD2      LEU  70 -14.770   2.769   2.369
  564   2HD2  LEU  70          3HD2      LEU  70 -14.145   2.387   3.953
  565   3HD2  LEU  70          1HD2      LEU  70 -15.877   2.310   3.679
  566    H    LEU  71           H        LEU  71 -12.749   6.145   1.172
  567    HA   LEU  71           HA       LEU  71 -11.714   8.876   1.417
  568   1HB   LEU  71           HB1      LEU  71 -10.566   6.133   0.632
  569   2HB   LEU  71           HB2      LEU  71  -9.599   7.633   0.522
  570    HG   LEU  71           HG       LEU  71 -10.045   7.893   2.996
  571   1HD1  LEU  71          2HD1      LEU  71 -11.211   5.159   2.846
  572   2HD1  LEU  71          3HD1      LEU  71 -10.289   5.729   4.211
  573   3HD1  LEU  71          1HD1      LEU  71 -11.696   6.684   3.612
  574   1HD2  LEU  71          1HD2      LEU  71  -8.060   6.388   1.546
  575   2HD2  LEU  71          2HD2      LEU  71  -7.905   7.264   3.112
  576   3HD2  LEU  71          3HD2      LEU  71  -8.312   5.561   3.053
  577    HA   PRO  72           HA       PRO  72 -12.699   8.992  -3.099
  578   1HB   PRO  72           HB1      PRO  72 -14.710  10.685  -3.248
  579   2HB   PRO  72           HB2      PRO  72 -15.013   9.165  -2.426
  580   1HG   PRO  72           HG1      PRO  72 -14.203  11.806  -1.158
  581   2HG   PRO  72           HG2      PRO  72 -15.637  10.789  -0.796
  582   1HD   PRO  72           HD2      PRO  72 -13.248  10.367   0.665
  583   2HD   PRO  72           HD1      PRO  72 -14.351   9.026   0.151
  584    H    ASN  73           H        ASN  73 -10.705  10.489  -1.484
  585    HA   ASN  73           HA       ASN  73  -9.710  11.826  -3.756
  586   1HB   ASN  73           HB1      ASN  73  -9.473  14.137  -2.846
  587   2HB   ASN  73           HB2      ASN  73 -11.164  13.652  -3.074
  588   1HD2  ASN  73          1HD2      ASN  73 -11.634  13.404   0.580
  589   2HD2  ASN  73          2HD2      ASN  73 -12.151  12.586  -0.911
  590    H    LYS  74           H        LYS  74  -8.770   9.670  -2.245
  591    HA   LYS  74           HA       LYS  74  -6.211  10.774  -1.269
  592   1HB   LYS  74           HB1      LYS  74  -7.712   8.544   0.026
  593   2HB   LYS  74           HB2      LYS  74  -5.977   8.877   0.298
  594   1HG   LYS  74           HG1      LYS  74  -6.784  11.311   0.798
  595   2HG   LYS  74           HG2      LYS  74  -8.414  10.600   0.927
  596   1HD   LYS  74           HD1      LYS  74  -7.711  10.711   3.157
  597   2HD   LYS  74           HD2      LYS  74  -7.486   9.029   2.658
  598   1HE   LYS  74           HE1      LYS  74  -5.522  10.725   3.858
  599   2HE   LYS  74           HE2      LYS  74  -5.162   9.177   3.060
  600   1HZ   LYS  74           HZ1      LYS  74  -4.959  10.378   0.977
  601   2HZ   LYS  74           HZ2      LYS  74  -5.115  11.872   1.851
  602   3HZ   LYS  74           HZ3      LYS  74  -3.789  10.847   2.151
  603    HA   PRO  75           HA       PRO  75  -4.220   8.000  -4.121
  604   1HB   PRO  75           HB1      PRO  75  -2.023   7.438  -2.279
  605   2HB   PRO  75           HB2      PRO  75  -2.008   8.355  -3.802
  606   1HG   PRO  75           HG1      PRO  75  -2.128   9.426  -1.008
  607   2HG   PRO  75           HG2      PRO  75  -1.913  10.327  -2.486
  608   1HD   PRO  75           HD2      PRO  75  -4.311  10.323  -0.943
  609   2HD   PRO  75           HD1      PRO  75  -4.184  10.911  -2.632
  610    H    VAL  76           H        VAL  76  -6.139   6.717  -3.554
  611    HA   VAL  76           HA       VAL  76  -5.501   4.078  -2.519
  612    HB   VAL  76           HB       VAL  76  -8.017   4.980  -3.895
  613   1HG1  VAL  76          2HG1      VAL  76  -7.325   2.471  -2.754
  614   2HG1  VAL  76          3HG1      VAL  76  -8.771   3.124  -2.093
  615   3HG1  VAL  76          1HG1      VAL  76  -8.629   3.011  -3.837
  616   1HG2  VAL  76          2HG2      VAL  76  -6.943   5.900  -1.310
  617   2HG2  VAL  76          3HG2      VAL  76  -8.443   6.320  -2.131
  618   3HG2  VAL  76          1HG2      VAL  76  -8.388   4.898  -1.096
  619    H    GLU  77           H        GLU  77  -4.017   3.007  -3.774
  620    HA   GLU  77           HA       GLU  77  -4.839   2.397  -6.515
  621   1HB   GLU  77           HB1      GLU  77  -2.332   3.715  -5.795
  622   2HB   GLU  77           HB2      GLU  77  -2.081   2.153  -6.665
  623   1HG   GLU  77           HG1      GLU  77  -2.248   4.208  -8.107
  624   2HG   GLU  77           HG2      GLU  77  -3.342   2.854  -8.479
  625    H    VAL  78           H        VAL  78  -5.134   0.254  -6.784
  626    HA   VAL  78           HA       VAL  78  -4.663  -1.772  -4.906
  627    HB   VAL  78           HB       VAL  78  -4.897  -3.254  -6.964
  628   1HG1  VAL  78          3HG1      VAL  78  -7.097  -1.742  -5.596
  629   2HG1  VAL  78          1HG1      VAL  78  -7.379  -2.641  -7.073
  630   3HG1  VAL  78          2HG1      VAL  78  -6.638  -3.428  -5.638
  631   1HG2  VAL  78          2HG2      VAL  78  -4.541  -0.993  -8.489
  632   2HG2  VAL  78          3HG2      VAL  78  -5.542  -2.338  -8.990
  633   3HG2  VAL  78          1HG2      VAL  78  -6.268  -0.911  -8.228
  634    H    ILE  79           H        ILE  79  -3.210  -3.662  -5.132
  635    HA   ILE  79           HA       ILE  79  -0.409  -2.966  -5.708
  636    HB   ILE  79           HB       ILE  79  -1.006  -5.719  -4.898
  637   1HG1  ILE  79          1HG1      ILE  79  -2.014  -3.350  -3.307
  638   2HG1  ILE  79          2HG1      ILE  79  -2.503  -5.075  -3.242
  639   1HG2  ILE  79          1HG2      ILE  79   1.155  -3.801  -4.542
  640   2HG2  ILE  79          2HG2      ILE  79   0.959  -5.271  -3.486
  641   3HG2  ILE  79          3HG2      ILE  79   1.129  -5.424  -5.223
  642   1HD1  ILE  79           HD3      ILE  79  -0.196  -5.328  -1.892
  643   2HD1  ILE  79           HD1      ILE  79  -0.462  -3.595  -1.736
  644   3HD1  ILE  79           HD2      ILE  79  -1.610  -4.781  -1.056
  645    H    ASP  80           H        ASP  80   0.854  -4.686  -6.945
  646    HA   ASP  80           HA       ASP  80  -0.485  -6.091  -9.165
  647   1HB   ASP  80           HB1      ASP  80   2.111  -4.792  -8.714
  648   2HB   ASP  80           HB2      ASP  80   2.248  -6.428  -9.422
  649    H    SER  81           H        SER  81  -0.499  -8.333  -9.146
  650    HA   SER  81           HA       SER  81  -0.610  -9.351  -6.496
  651   1HB   SER  81           HB1      SER  81  -2.460  -9.682  -8.024
  652   2HB   SER  81           HB2      SER  81  -1.378 -10.063  -9.343
  653    HG   SER  81           HG       SER  81  -2.536 -11.954  -8.462
  654    H    LEU  82           H        LEU  82   1.772  -9.249  -8.922
  655    HA   LEU  82           HA       LEU  82   3.005 -11.806  -8.381
  656   1HB   LEU  82           HB1      LEU  82   2.785 -11.415 -10.734
  657   2HB   LEU  82           HB2      LEU  82   2.786  -9.638 -10.514
  658    HG   LEU  82           HG       LEU  82   4.731  -9.527 -11.464
  659   1HD1  LEU  82          1HD1      LEU  82   5.914 -11.040  -9.274
  660   2HD1  LEU  82          2HD1      LEU  82   6.865 -10.453 -10.615
  661   3HD1  LEU  82          3HD1      LEU  82   5.981  -9.309  -9.634
  662   1HD2  LEU  82          3HD2      LEU  82   4.164 -12.442 -11.660
  663   2HD2  LEU  82          1HD2      LEU  82   4.821 -11.351 -12.876
  664   3HD2  LEU  82          2HD2      LEU  82   5.920 -12.068 -11.691
  665    H    LEU  83           H        LEU  83   3.744  -8.224  -8.698
  666    HA   LEU  83           HA       LEU  83   6.130  -8.111  -7.336
  667   1HB   LEU  83           HB1      LEU  83   3.665  -6.283  -7.623
  668   2HB   LEU  83           HB2      LEU  83   5.202  -5.634  -6.961
  669    HG   LEU  83           HG       LEU  83   4.171  -5.642  -9.608
  670   1HD1  LEU  83          3HD1      LEU  83   5.513  -3.900  -8.337
  671   2HD1  LEU  83          1HD1      LEU  83   6.836  -4.635  -9.278
  672   3HD1  LEU  83          2HD1      LEU  83   5.431  -3.925 -10.068
  673   1HD2  LEU  83          1HD2      LEU  83   6.535  -7.531  -9.282
  674   2HD2  LEU  83          2HD2      LEU  83   5.096  -7.636 -10.308
  675   3HD2  LEU  83          3HD2      LEU  83   6.447  -6.542 -10.723
  676    H    TYR  84           H        TYR  84   2.712  -8.021  -6.278
  677    HA   TYR  84           HA       TYR  84   2.685  -7.510  -3.559
  678   1HB   TYR  84           HB1      TYR  84   0.730  -7.557  -4.819
  679   2HB   TYR  84           HB2      TYR  84   0.895  -9.315  -5.190
  680    HD1  TYR  84           HD1      TYR  84   0.743  -6.914  -2.299
  681    HD2  TYR  84           HD2      TYR  84  -0.459 -10.713  -3.978
  682    HE1  TYR  84           HE1      TYR  84  -0.230  -7.591  -0.072
  683    HE2  TYR  84           HE2      TYR  84  -1.601 -11.307  -1.841
  684    HH   TYR  84           HH       TYR  84  -1.695 -10.878   0.341
  685    H    GLY  85           H        GLY  85   2.509 -10.826  -4.978
  686   1HA   GLY  85           HA1      GLY  85   3.461 -12.085  -2.453
  687   2HA   GLY  85           HA2      GLY  85   2.789 -12.841  -3.939
  688    H    LYS  86           H        LYS  86   5.023 -10.904  -5.320
  689    HA   LYS  86           HA       LYS  86   7.426 -12.533  -4.557
  690   1HB   LYS  86           HB1      LYS  86   7.067 -10.860  -7.064
  691   2HB   LYS  86           HB2      LYS  86   8.410 -11.967  -6.659
  692   1HG   LYS  86           HG1      LYS  86   6.446 -13.777  -6.458
  693   2HG   LYS  86           HG2      LYS  86   5.525 -12.598  -7.440
  694   1HD   LYS  86           HD1      LYS  86   7.093 -12.777  -9.279
  695   2HD   LYS  86           HD2      LYS  86   8.195 -13.763  -8.350
  696   1HE   LYS  86           HE1      LYS  86   5.810 -15.166  -8.006
  697   2HE   LYS  86           HE2      LYS  86   5.686 -14.535  -9.688
  698   1HZ   LYS  86           HZ1      LYS  86   7.894 -15.404 -10.104
  699   2HZ   LYS  86           HZ2      LYS  86   7.857 -16.120  -8.537
  700   3HZ   LYS  86           HZ3      LYS  86   6.798 -16.654  -9.722
  701    H    VAL  87           H        VAL  87   5.923  -9.776  -3.630
  702    HA   VAL  87           HA       VAL  87   6.613  -8.415  -2.037
  703    HB   VAL  87           HB       VAL  87   8.510  -9.333  -0.598
  704   1HG1  VAL  87          3HG1      VAL  87   6.072 -10.994  -1.218
  705   2HG1  VAL  87          1HG1      VAL  87   7.269 -11.330   0.001
  706   3HG1  VAL  87          2HG1      VAL  87   6.358  -9.806   0.048
  707   1HG2  VAL  87          3HG2      VAL  87   9.386 -10.554  -2.863
  708   2HG2  VAL  87          1HG2      VAL  87   9.590 -11.275  -1.234
  709   3HG2  VAL  87          2HG2      VAL  87   8.263 -11.783  -2.312
  710    H    ASP  88           H        ASP  88   7.104  -7.042  -4.120
  711    HA   ASP  88           HA       ASP  88   9.734  -7.015  -5.317
  712   1HB   ASP  88           HB1      ASP  88   7.021  -6.364  -6.057
  713   2HB   ASP  88           HB2      ASP  88   7.994  -4.906  -6.305
  714    H    GLY  89           H        GLY  89   9.214  -5.757  -2.423
  715   1HA   GLY  89           HA1      GLY  89  10.185  -3.642  -1.687
  716   2HA   GLY  89           HA2      GLY  89  11.314  -5.020  -1.568
  717    H    LEU  90           H        LEU  90  10.190  -2.391  -3.627
  718    HA   LEU  90           HA       LEU  90  12.130  -0.650  -3.618
  719   1HB   LEU  90           HB1      LEU  90  13.629  -2.733  -4.429
  720   2HB   LEU  90           HB2      LEU  90  12.843  -2.434  -6.007
  721    HG   LEU  90           HG       LEU  90  15.198  -1.265  -5.040
  722   1HD1  LEU  90          2HD1      LEU  90  14.746  -2.162  -7.346
  723   2HD1  LEU  90          3HD1      LEU  90  13.914  -0.650  -7.619
  724   3HD1  LEU  90          1HD1      LEU  90  15.610  -0.646  -7.133
  725   1HD2  LEU  90          1HD2      LEU  90  12.820   0.602  -5.382
  726   2HD2  LEU  90          2HD2      LEU  90  14.037   0.668  -4.116
  727   3HD2  LEU  90          3HD2      LEU  90  14.450   1.161  -5.740
  728    H    GLY  91           H        GLY  91  10.170  -2.710  -5.755
  729   1HA   GLY  91           HA1      GLY  91   9.418  -0.557  -7.655
  730   2HA   GLY  91           HA2      GLY  91   9.011  -2.297  -7.697
  731    H    VAL  92           H        VAL  92   8.429  -2.018  -4.637
  732    HA   VAL  92           HA       VAL  92   5.616  -1.597  -5.007
  733    HB   VAL  92           HB       VAL  92   7.071  -2.727  -2.676
  734   1HG1  VAL  92          2HG1      VAL  92   4.756  -1.499  -2.370
  735   2HG1  VAL  92          3HG1      VAL  92   4.186  -3.128  -2.683
  736   3HG1  VAL  92          1HG1      VAL  92   5.442  -2.891  -1.464
  737   1HG2  VAL  92          1HG2      VAL  92   6.300  -3.833  -5.220
  738   2HG2  VAL  92          2HG2      VAL  92   7.014  -4.761  -3.926
  739   3HG2  VAL  92          3HG2      VAL  92   5.241  -4.591  -4.018
  740    H    LEU  93           H        LEU  93   8.437  -0.325  -3.317
  741    HA   LEU  93           HA       LEU  93   7.316   1.850  -1.952
  742   1HB   LEU  93           HB1      LEU  93   9.775   0.591  -2.181
  743   2HB   LEU  93           HB2      LEU  93  10.105   1.954  -3.235
  744    HG   LEU  93           HG       LEU  93   9.405   3.397  -1.127
  745   1HD1  LEU  93          2HD1      LEU  93   8.802   1.112   0.154
  746   2HD1  LEU  93          3HD1      LEU  93  10.415   1.498   0.679
  747   3HD1  LEU  93          1HD1      LEU  93   9.121   2.720   0.748
  748   1HD2  LEU  93          1HD2      LEU  93  11.883   2.358  -2.183
  749   2HD2  LEU  93          2HD2      LEU  93  11.668   3.829  -1.232
  750   3HD2  LEU  93          3HD2      LEU  93  12.026   2.276  -0.450
  751    H    LYS  94           H        LYS  94   9.372   1.963  -5.026
  752    HA   LYS  94           HA       LYS  94   8.554   4.123  -6.338
  753   1HB   LYS  94           HB1      LYS  94   9.623   1.739  -7.142
  754   2HB   LYS  94           HB2      LYS  94   8.154   1.851  -8.104
  755   1HG   LYS  94           HG1      LYS  94   9.482   3.137  -9.471
  756   2HG   LYS  94           HG2      LYS  94   9.076   4.434  -8.326
  757   1HD   LYS  94           HD1      LYS  94  11.400   4.558  -8.701
  758   2HD   LYS  94           HD2      LYS  94  11.265   3.843  -7.101
  759   1HE   LYS  94           HE1      LYS  94  12.585   2.066  -7.910
  760   2HE   LYS  94           HE2      LYS  94  11.182   1.579  -8.892
  761   1HZ   LYS  94           HZ1      LYS  94  11.858   3.213 -10.563
  762   2HZ   LYS  94           HZ2      LYS  94  13.308   3.464  -9.647
  763   3HZ   LYS  94           HZ3      LYS  94  12.979   1.911 -10.321
  764    H    ALA  95           H        ALA  95   6.453   1.182  -6.073
  765    HA   ALA  95           HA       ALA  95   4.616   1.917  -8.015
  766   1HB   ALA  95           HB1      ALA  95   4.762  -0.193  -5.962
  767   2HB   ALA  95           HB2      ALA  95   3.108   0.215  -6.404
  768   3HB   ALA  95           HB3      ALA  95   4.261  -0.292  -7.640
  769    H    ALA  96           H        ALA  96   4.730   2.647  -4.523
  770    HA   ALA  96           HA       ALA  96   2.359   4.203  -4.439
  771   1HB   ALA  96           HB3      ALA  96   3.976   3.329  -2.527
  772   2HB   ALA  96           HB1      ALA  96   4.751   4.895  -2.721
  773   3HB   ALA  96           HB2      ALA  96   3.030   4.772  -2.264
  774    H    VAL  97           H        VAL  97   5.848   5.153  -4.719
  775    HA   VAL  97           HA       VAL  97   5.863   7.779  -4.942
  776    HB   VAL  97           HB       VAL  97   7.959   7.554  -5.748
  777   1HG1  VAL  97          2HG1      VAL  97   7.973   6.302  -3.830
  778   2HG1  VAL  97          3HG1      VAL  97   7.715   4.816  -4.720
  779   3HG1  VAL  97          1HG1      VAL  97   9.153   5.845  -5.052
  780   1HG2  VAL  97          1HG2      VAL  97   7.321   6.879  -8.008
  781   2HG2  VAL  97          2HG2      VAL  97   8.835   6.140  -7.461
  782   3HG2  VAL  97          3HG2      VAL  97   7.364   5.195  -7.492
  783    H    ALA  98           H        ALA  98   5.521   5.468  -7.637
  784    HA   ALA  98           HA       ALA  98   4.841   7.399  -9.620
  785   1HB   ALA  98           HB3      ALA  98   5.038   4.402  -9.552
  786   2HB   ALA  98           HB1      ALA  98   4.148   5.153 -10.890
  787   3HB   ALA  98           HB2      ALA  98   5.841   5.561 -10.610
  788    H    ALA  99           H        ALA  99   2.957   5.427  -7.393
  789    HA   ALA  99           HA       ALA  99   0.329   5.990  -8.352
  790   1HB   ALA  99           HB1      ALA  99   1.456   5.398  -5.585
  791   2HB   ALA  99           HB2      ALA  99  -0.214   5.895  -5.762
  792   3HB   ALA  99           HB3      ALA  99   0.359   4.408  -6.545
  793    H    ILE 100           H        ILE 100   2.764   7.945  -6.640
  794    HA   ILE 100           HA       ILE 100   1.063   9.880  -5.520
  795    HB   ILE 100           HB       ILE 100   3.908   9.297  -5.624
  796   1HG1  ILE 100          1HG1      ILE 100   1.864  10.199  -3.554
  797   2HG1  ILE 100          2HG1      ILE 100   2.817   8.690  -3.623
  798   1HG2  ILE 100          1HG2      ILE 100   3.127  12.148  -5.434
  799   2HG2  ILE 100          2HG2      ILE 100   4.666  11.475  -4.837
  800   3HG2  ILE 100          3HG2      ILE 100   4.292  11.411  -6.537
  801   1HD1  ILE 100           HD1      ILE 100   3.959  11.358  -3.054
  802   2HD1  ILE 100           HD2      ILE 100   3.605  10.208  -1.755
  803   3HD1  ILE 100           HD3      ILE 100   4.817   9.795  -2.881
  804    H    LYS 101           H        LYS 101   3.679  10.243  -7.930
  805    HA   LYS 101           HA       LYS 101   3.003  12.364  -9.422
  806   1HB   LYS 101           HB1      LYS 101   4.939  10.724  -9.802
  807   2HB   LYS 101           HB2      LYS 101   3.796   9.804 -10.805
  808   1HG   LYS 101           HG1      LYS 101   3.375  11.806 -12.225
  809   2HG   LYS 101           HG2      LYS 101   4.492  12.749 -11.219
  810   1HD   LYS 101           HD1      LYS 101   6.177  12.145 -12.624
  811   2HD   LYS 101           HD2      LYS 101   5.986  10.472 -12.107
  812   1HE   LYS 101           HE1      LYS 101   4.575   9.933 -13.966
  813   2HE   LYS 101           HE2      LYS 101   4.044  11.651 -14.194
  814   1HZ   LYS 101           HZ1      LYS 101   6.316  12.143 -14.870
  815   2HZ   LYS 101           HZ2      LYS 101   6.668  10.466 -14.840
  816   3HZ   LYS 101           HZ3      LYS 101   5.511  11.060 -15.921
  817    H    LYS 102           H        LYS 102   1.532   9.090  -9.800
  818    HA   LYS 102           HA       LYS 102   0.315   9.578 -12.251
  819   1HB   LYS 102           HB1      LYS 102  -0.281   7.416 -12.235
  820   2HB   LYS 102           HB2      LYS 102   0.826   7.346 -10.855
  821   1HG   LYS 102           HG1      LYS 102  -0.946   6.400  -9.763
  822   2HG   LYS 102           HG2      LYS 102  -1.565   8.057  -9.617
  823   1HD   LYS 102           HD1      LYS 102  -3.418   6.948 -10.399
  824   2HD   LYS 102           HD2      LYS 102  -2.700   7.539 -11.927
  825   1HE   LYS 102           HE1      LYS 102  -1.394   5.060 -11.397
  826   2HE   LYS 102           HE2      LYS 102  -3.127   4.765 -11.042
  827   1HZ   LYS 102           HZ1      LYS 102  -3.612   5.760 -13.180
  828   2HZ   LYS 102           HZ2      LYS 102  -1.963   5.823 -13.532
  829   3HZ   LYS 102           HZ3      LYS 102  -2.717   4.311 -13.291
  830    H    ALA 103           H        ALA 103  -0.709  10.310  -8.996
  831    HA   ALA 103           HA       ALA 103  -3.438  10.860  -9.336
  832   1HB   ALA 103           HB2      ALA 103  -1.694  11.008  -7.193
  833   2HB   ALA 103           HB3      ALA 103  -1.763  12.708  -7.602
  834   3HB   ALA 103           HB1      ALA 103  -3.251  11.836  -7.175
  835    H    ALA 104           H        ALA 104  -0.598  12.452 -10.506
  836    HA   ALA 104           HA       ALA 104  -0.243  14.136 -11.936
  837   1HB   ALA 104           HB3      ALA 104  -2.956  13.171 -12.861
  838   2HB   ALA 104           HB1      ALA 104  -2.040  14.390 -13.740
  839   3HB   ALA 104           HB2      ALA 104  -1.374  12.762 -13.532
  840    H    ALA 105           H        ALA 105  -0.139  15.909 -10.479
  841    HA   ALA 105           HA       ALA 105  -2.333  17.832 -10.614
  842   1HB   ALA 105           HB2      ALA 105  -1.104  16.762  -8.058
  843   2HB   ALA 105           HB3      ALA 105  -1.761  18.384  -8.127
  844   3HB   ALA 105           HB1      ALA 105  -2.807  16.989  -8.466
  845    H    ASN 106           H        ASN 106  -1.416  19.601 -11.561
  846    HA   ASN 106           HA       ASN 106   1.230  20.574 -10.804
  847   1HB   ASN 106           HB1      ASN 106   1.018  18.946 -13.044
  848   2HB   ASN 106           HB2      ASN 106   0.886  20.589 -13.713
  849   1HD2  ASN 106          1HD2      ASN 106   4.242  21.332 -12.088
  850   2HD2  ASN 106          2HD2      ASN 106   2.583  21.999 -11.915
   
  No H/Q in entry =         850
  Start of MODEL   10
    1    H    MET   1           H        MET   1   5.554  15.280   2.824
    2    HA   MET   1           HA       MET   1   7.191  13.053   3.472
    3   1HB   MET   1           HB1      MET   1   8.438  15.815   3.275
    4   2HB   MET   1           HB2      MET   1   9.266  14.322   3.801
    5   1HG   MET   1           HG1      MET   1   8.298  13.544   1.354
    6   2HG   MET   1           HG2      MET   1   8.583  15.261   1.060
    7   1HE   MET   1           HE3      MET   1  10.446  16.340   0.763
    8   2HE   MET   1           HE1      MET   1  11.691  16.082   2.038
    9   3HE   MET   1           HE2      MET   1  12.023  15.734   0.330
   10    H    GLU   2           H        GLU   2   8.632  14.708   5.531
   11    HA   GLU   2           HA       GLU   2   8.398  15.319   7.608
   12   1HB   GLU   2           HB1      GLU   2   6.781  17.034   6.811
   13   2HB   GLU   2           HB2      GLU   2   5.471  15.866   7.090
   14   1HG   GLU   2           HG1      GLU   2   6.974  15.948   9.515
   15   2HG   GLU   2           HG2      GLU   2   6.783  17.635   8.964
   16    H    LYS   3           H        LYS   3   8.390  12.539   7.133
   17    HA   LYS   3           HA       LYS   3   7.787  10.572   8.107
   18   1HB   LYS   3           HB1      LYS   3   7.047  12.610  10.066
   19   2HB   LYS   3           HB2      LYS   3   6.189  11.066  10.258
   20   1HG   LYS   3           HG1      LYS   3   8.999  11.832  11.011
   21   2HG   LYS   3           HG2      LYS   3   8.012  10.476  11.551
   22   1HD   LYS   3           HD1      LYS   3   8.898   8.989   9.971
   23   2HD   LYS   3           HD2      LYS   3   9.484  10.254   8.902
   24   1HE   LYS   3           HE1      LYS   3  11.157  10.990  10.558
   25   2HE   LYS   3           HE2      LYS   3  10.488   9.842  11.757
   26   1HZ   LYS   3           HZ1      LYS   3  11.022   8.049  10.149
   27   2HZ   LYS   3           HZ2      LYS   3  11.796   9.240   9.184
   28   3HZ   LYS   3           HZ3      LYS   3  12.409   8.894  10.728
   29    H    LYS   4           H        LYS   4   6.255   9.156   7.110
   30    HA   LYS   4           HA       LYS   4   3.564   9.815   7.213
   31   1HB   LYS   4           HB1      LYS   4   3.248  11.366   5.657
   32   2HB   LYS   4           HB2      LYS   4   4.982  11.393   5.290
   33   1HG   LYS   4           HG1      LYS   4   3.027   9.433   3.987
   34   2HG   LYS   4           HG2      LYS   4   3.536  11.006   3.285
   35   1HD   LYS   4           HD1      LYS   4   5.567   8.925   4.098
   36   2HD   LYS   4           HD2      LYS   4   4.650   8.695   2.582
   37   1HE   LYS   4           HE1      LYS   4   5.490  11.480   2.680
   38   2HE   LYS   4           HE2      LYS   4   6.925  10.508   3.129
   39   1HZ   LYS   4           HZ1      LYS   4   6.438   9.130   1.119
   40   2HZ   LYS   4           HZ2      LYS   4   5.243  10.257   0.685
   41   3HZ   LYS   4           HZ3      LYS   4   6.891  10.763   0.799
   42    H    HIS   5           H        HIS   5   2.188   8.315   6.434
   43    HA   HIS   5           HA       HIS   5   3.185   5.634   6.227
   44   1HB   HIS   5           HB1      HIS   5   0.304   6.190   5.766
   45   2HB   HIS   5           HB2      HIS   5   1.101   4.970   6.729
   46    HD1  HIS   5           HD1      HIS   5  -0.582   8.288   7.150
   47    HD2  HIS   5           HD2      HIS   5   2.358   6.112   9.186
   48    HE1  HIS   5           HE1      HIS   5  -0.237   9.365   9.477
   49    H    ILE   6           H        ILE   6   3.271   4.200   4.622
   50    HA   ILE   6           HA       ILE   6   1.297   4.364   2.461
   51    HB   ILE   6           HB       ILE   6   3.823   2.842   2.596
   52   1HG1  ILE   6          1HG1      ILE   6   2.960   5.049   0.649
   53   2HG1  ILE   6          2HG1      ILE   6   4.142   5.186   1.968
   54   1HG2  ILE   6          1HG2      ILE   6   2.265   1.359   1.808
   55   2HG2  ILE   6          2HG2      ILE   6   1.725   2.493   0.540
   56   3HG2  ILE   6          3HG2      ILE   6   3.337   1.777   0.484
   57   1HD1  ILE   6           HD3      ILE   6   4.981   3.061   0.217
   58   2HD1  ILE   6           HD1      ILE   6   4.569   4.543  -0.713
   59   3HD1  ILE   6           HD2      ILE   6   5.797   4.548   0.570
   60    H    TYR   7           H        TYR   7  -0.167   2.480   2.509
   61    HA   TYR   7           HA       TYR   7   0.174   0.432   4.637
   62   1HB   TYR   7           HB1      TYR   7  -2.495   1.857   4.379
   63   2HB   TYR   7           HB2      TYR   7  -1.997   0.515   5.429
   64    HD1  TYR   7           HD2      TYR   7   0.093   0.940   6.816
   65    HD2  TYR   7           HD1      TYR   7  -2.120   4.190   5.046
   66    HE1  TYR   7           HE2      TYR   7   0.400   2.282   8.898
   67    HE2  TYR   7           HE1      TYR   7  -1.543   5.665   7.004
   68    HH   TYR   7           HH       TYR   7   0.432   4.353   9.744
   69    H    LEU   8           H        LEU   8  -0.519  -1.571   4.072
   70    HA   LEU   8           HA       LEU   8  -1.569  -2.045   1.376
   71   1HB   LEU   8           HB1      LEU   8   0.044  -3.585   3.418
   72   2HB   LEU   8           HB2      LEU   8  -0.611  -4.448   2.026
   73    HG   LEU   8           HG       LEU   8   1.796  -2.741   2.150
   74   1HD1  LEU   8          2HD1      LEU   8   0.841  -5.074   0.487
   75   2HD1  LEU   8          3HD1      LEU   8   2.251  -4.126   0.104
   76   3HD1  LEU   8          1HD1      LEU   8   2.112  -5.003   1.670
   77   1HD2  LEU   8          3HD2      LEU   8   0.271  -1.192   0.983
   78   2HD2  LEU   8          1HD2      LEU   8   1.642  -1.720   0.120
   79   3HD2  LEU   8          2HD2      LEU   8   0.049  -2.562  -0.169
   80    H    PHE   9           H        PHE   9  -3.437  -3.742   1.305
   81    HA   PHE   9           HA       PHE   9  -4.840  -4.176   3.856
   82   1HB   PHE   9           HB1      PHE   9  -5.685  -2.684   1.360
   83   2HB   PHE   9           HB2      PHE   9  -6.837  -3.161   2.643
   84    HD1  PHE   9           HD2      PHE   9  -5.008  -2.695   5.011
   85    HD2  PHE   9           HD1      PHE   9  -5.719  -0.399   1.445
   86    HE1  PHE   9           HE2      PHE   9  -4.743  -0.586   6.326
   87    HE2  PHE   9           HE1      PHE   9  -5.402   1.699   2.789
   88    HZ   PHE   9           HZ       PHE   9  -4.259   1.506   5.040
   89    H    SER  10           H        SER  10  -5.506  -6.432   3.958
   90    HA   SER  10           HA       SER  10  -3.826  -8.045   2.445
   91   1HB   SER  10           HB1      SER  10  -4.544  -8.600   4.615
   92   2HB   SER  10           HB2      SER  10  -6.239  -8.873   4.122
   93    HG   SER  10           HG       SER  10  -4.918 -10.842   4.259
   94    H    SER  11           H        SER  11  -4.909 -10.420   1.778
   95    HA   SER  11           HA       SER  11  -6.279 -10.877  -0.352
   96   1HB   SER  11           HB1      SER  11  -5.051  -8.332  -0.897
   97   2HB   SER  11           HB2      SER  11  -4.457  -9.496  -2.086
   98    HG   SER  11           HG       SER  11  -6.496  -8.422  -2.658
   99    H    ALA  12           H        ALA  12  -4.826 -12.500   1.042
  100    HA   ALA  12           HA       ALA  12  -4.570 -14.501  -0.415
  101   1HB   ALA  12           HB2      ALA  12  -2.672 -12.850  -1.727
  102   2HB   ALA  12           HB3      ALA  12  -1.712 -14.101  -0.909
  103   3HB   ALA  12           HB1      ALA  12  -3.006 -14.533  -2.034
  104    H    GLY  13           H        GLY  13  -4.609 -13.821   2.356
  105   1HA   GLY  13           HA1      GLY  13  -3.366 -13.534   4.256
  106   2HA   GLY  13           HA2      GLY  13  -3.671 -15.293   4.161
  107    H    MET  14           H        MET  14  -1.293 -13.181   2.434
  108    HA   MET  14           HA       MET  14   0.467 -12.322   3.689
  109   1HB   MET  14           HB1      MET  14   0.942 -13.486   5.518
  110   2HB   MET  14           HB2      MET  14   0.359 -15.039   4.896
  111   1HG   MET  14           HG1      MET  14   2.759 -15.057   3.623
  112   2HG   MET  14           HG2      MET  14   3.101 -13.855   4.874
  113   1HE   MET  14           HE2      MET  14   2.723 -14.035   7.147
  114   2HE   MET  14           HE3      MET  14   2.777 -15.477   8.147
  115   3HE   MET  14           HE1      MET  14   4.255 -14.988   7.295
  116    H    SER  15           H        SER  15   3.088 -13.008   3.100
  117    HA   SER  15           HA       SER  15   4.352 -12.711   1.319
  118   1HB   SER  15           HB1      SER  15   3.562 -12.602  -1.014
  119   2HB   SER  15           HB2      SER  15   2.688 -13.943  -0.230
  120    HG   SER  15           HG       SER  15   1.393 -12.481  -1.537
  121    H    THR  16           H        THR  16   1.680 -11.108   2.539
  122    HA   THR  16           HA       THR  16   2.063  -8.436   1.887
  123    HB   THR  16           HB       THR  16   1.194  -8.293   4.517
  124    HG1  THR  16           HG1      THR  16  -0.428 -10.071   4.617
  125   1HG2  THR  16          1HG2      THR  16   0.114  -7.643   2.130
  126   2HG2  THR  16          2HG2      THR  16  -1.115  -8.617   2.874
  127   3HG2  THR  16          3HG2      THR  16  -0.431  -7.263   3.741
  128    H    SER  17           H        SER  17   2.760  -9.911   5.129
  129    HA   SER  17           HA       SER  17   3.595  -7.665   6.287
  130   1HB   SER  17           HB1      SER  17   5.408  -9.523   7.402
  131   2HB   SER  17           HB2      SER  17   3.711  -9.349   7.936
  132    HG   SER  17           HG       SER  17   4.412 -11.550   7.406
  133    H    LEU  18           H        LEU  18   5.914  -9.742   4.437
  134    HA   LEU  18           HA       LEU  18   8.190  -8.241   5.411
  135   1HB   LEU  18           HB1      LEU  18   8.352 -10.361   3.167
  136   2HB   LEU  18           HB2      LEU  18   9.417 -10.169   4.572
  137    HG   LEU  18           HG       LEU  18   6.749 -11.561   4.421
  138   1HD1  LEU  18          2HD1      LEU  18   8.915 -12.733   3.583
  139   2HD1  LEU  18          3HD1      LEU  18   9.215 -12.877   5.283
  140   3HD1  LEU  18          1HD1      LEU  18   7.688 -13.504   4.600
  141   1HD2  LEU  18          3HD2      LEU  18   7.895 -10.266   6.802
  142   2HD2  LEU  18          1HD2      LEU  18   6.375 -11.146   6.569
  143   3HD2  LEU  18          2HD2      LEU  18   7.876 -12.019   6.963
  144    H    LEU  19           H        LEU  19   5.937  -7.715   2.911
  145    HA   LEU  19           HA       LEU  19   7.878  -6.581   1.023
  146   1HB   LEU  19           HB1      LEU  19   6.232  -7.167  -0.576
  147   2HB   LEU  19           HB2      LEU  19   5.367  -8.007   0.770
  148    HG   LEU  19           HG       LEU  19   4.040  -5.951   1.095
  149   1HD1  LEU  19          2HD1      LEU  19   5.890  -4.498  -0.292
  150   2HD1  LEU  19          3HD1      LEU  19   4.519  -4.632  -1.349
  151   3HD1  LEU  19          1HD1      LEU  19   4.290  -4.037   0.324
  152   1HD2  LEU  19          3HD2      LEU  19   3.988  -7.311  -1.655
  153   2HD2  LEU  19          1HD2      LEU  19   3.081  -7.730  -0.175
  154   3HD2  LEU  19          2HD2      LEU  19   2.759  -6.218  -1.070
  155    H    VAL  20           H        VAL  20   5.210  -5.816   3.327
  156    HA   VAL  20           HA       VAL  20   5.232  -2.985   3.242
  157    HB   VAL  20           HB       VAL  20   4.158  -5.133   4.767
  158   1HG1  VAL  20          2HG1      VAL  20   5.877  -3.435   6.475
  159   2HG1  VAL  20          3HG1      VAL  20   4.325  -3.884   7.133
  160   3HG1  VAL  20          1HG1      VAL  20   5.380  -5.152   6.522
  161   1HG2  VAL  20          2HG2      VAL  20   3.374  -2.443   3.952
  162   2HG2  VAL  20          3HG2      VAL  20   2.384  -3.754   4.567
  163   3HG2  VAL  20          1HG2      VAL  20   3.094  -2.600   5.697
  164    H    SER  21           H        SER  21   7.128  -5.380   5.209
  165    HA   SER  21           HA       SER  21   8.658  -3.263   6.433
  166   1HB   SER  21           HB1      SER  21   8.410  -4.884   8.058
  167   2HB   SER  21           HB2      SER  21   8.121  -6.163   6.871
  168    HG   SER  21           HG       SER  21  10.111  -6.450   8.091
  169    H    LYS  22           H        LYS  22   8.946  -5.139   3.543
  170    HA   LYS  22           HA       LYS  22  11.701  -4.657   3.049
  171   1HB   LYS  22           HB1      LYS  22   9.431  -5.771   1.717
  172   2HB   LYS  22           HB2      LYS  22  10.429  -4.727   0.640
  173   1HG   LYS  22           HG1      LYS  22  12.304  -6.047   0.809
  174   2HG   LYS  22           HG2      LYS  22  11.729  -6.852   2.303
  175   1HD   LYS  22           HD1      LYS  22   9.835  -7.676   0.546
  176   2HD   LYS  22           HD2      LYS  22  11.244  -7.605  -0.507
  177   1HE   LYS  22           HE1      LYS  22  11.308  -8.906   2.269
  178   2HE   LYS  22           HE2      LYS  22  10.893  -9.833   0.813
  179   1HZ   LYS  22           HZ1      LYS  22  13.021  -9.134  -0.165
  180   2HZ   LYS  22           HZ2      LYS  22  13.444  -8.406   1.315
  181   3HZ   LYS  22           HZ3      LYS  22  13.198 -10.111   1.236
  182    H    MET  23           H        MET  23   8.612  -3.381   2.059
  183    HA   MET  23           HA       MET  23   9.282  -1.227   0.482
  184   1HB   MET  23           HB1      MET  23   6.885  -2.061   2.062
  185   2HB   MET  23           HB2      MET  23   6.886  -0.360   1.544
  186   1HG   MET  23           HG1      MET  23   7.728  -1.876  -0.727
  187   2HG   MET  23           HG2      MET  23   6.270  -2.659  -0.036
  188   1HE   MET  23           HE1      MET  23   4.347  -1.694   0.509
  189   2HE   MET  23           HE2      MET  23   3.489  -0.339  -0.237
  190   3HE   MET  23           HE3      MET  23   3.822  -1.786  -1.201
  191    H    ARG  24           H        ARG  24   8.284  -0.916   4.001
  192    HA   ARG  24           HA       ARG  24   9.470   1.384   4.736
  193   1HB   ARG  24           HB1      ARG  24   9.471  -1.278   6.196
  194   2HB   ARG  24           HB2      ARG  24   9.953   0.264   6.939
  195   1HG   ARG  24           HG1      ARG  24   7.702   1.202   6.067
  196   2HG   ARG  24           HG2      ARG  24   7.230  -0.473   5.871
  197   1HD   ARG  24           HD1      ARG  24   8.433  -0.260   8.459
  198   2HD   ARG  24           HD2      ARG  24   7.344   1.141   8.276
  199    HE   ARG  24           HE       ARG  24   5.493  -0.276   8.061
  200   1HH1  ARG  24          2HH1      ARG  24   8.308  -2.157   8.411
  201   2HH1  ARG  24          1HH1      ARG  24   7.337  -3.647   9.040
  202   1HH2  ARG  24          2HH2      ARG  24   4.478  -2.137   8.349
  203   2HH2  ARG  24          1HH2      ARG  24   5.449  -3.607   9.111
  204    H    ALA  25           H        ALA  25  11.397  -1.708   4.941
  205    HA   ALA  25           HA       ALA  25  13.907  -0.944   5.240
  206   1HB   ALA  25           HB2      ALA  25  12.666  -3.185   4.141
  207   2HB   ALA  25           HB3      ALA  25  13.772  -2.689   2.850
  208   3HB   ALA  25           HB1      ALA  25  14.396  -3.021   4.476
  209    H    GLN  26           H        GLN  26  12.635  -1.212   1.866
  210    HA   GLN  26           HA       GLN  26  14.020   0.355   0.252
  211   1HB   GLN  26           HB1      GLN  26  11.114   0.084   0.942
  212   2HB   GLN  26           HB2      GLN  26  11.530   1.380  -0.206
  213   1HG   GLN  26           HG1      GLN  26  10.866  -1.283  -0.828
  214   2HG   GLN  26           HG2      GLN  26  11.565  -0.069  -1.901
  215   1HE2  GLN  26          1HE2      GLN  26  14.116  -2.921  -0.393
  216   2HE2  GLN  26          2HE2      GLN  26  12.441  -2.833   0.261
  217    H    ALA  27           H        ALA  27  11.610   1.698   2.517
  218    HA   ALA  27           HA       ALA  27  12.069   4.412   1.796
  219   1HB   ALA  27           HB3      ALA  27  10.154   2.823   3.349
  220   2HB   ALA  27           HB1      ALA  27  10.479   4.425   4.074
  221   3HB   ALA  27           HB2      ALA  27   9.870   4.249   2.413
  222    H    GLU  28           H        GLU  28  13.463   2.229   4.087
  223    HA   GLU  28           HA       GLU  28  14.579   4.339   5.841
  224   1HB   GLU  28           HB1      GLU  28  14.441   1.291   5.935
  225   2HB   GLU  28           HB2      GLU  28  15.840   2.107   6.688
  226   1HG   GLU  28           HG1      GLU  28  13.561   3.542   7.571
  227   2HG   GLU  28           HG2      GLU  28  13.095   1.823   7.608
  228    H    LYS  29           H        LYS  29  15.702   1.788   3.429
  229    HA   LYS  29           HA       LYS  29  18.088   2.379   2.627
  230   1HB   LYS  29           HB1      LYS  29  15.873   1.333   1.532
  231   2HB   LYS  29           HB2      LYS  29  16.175   2.737   0.497
  232   1HG   LYS  29           HG1      LYS  29  17.523   1.182  -0.596
  233   2HG   LYS  29           HG2      LYS  29  18.688   1.780   0.633
  234   1HD   LYS  29           HD1      LYS  29  18.775  -0.645   0.487
  235   2HD   LYS  29           HD2      LYS  29  18.114  -0.145   2.079
  236   1HE   LYS  29           HE1      LYS  29  15.816  -0.280   0.534
  237   2HE   LYS  29           HE2      LYS  29  16.795  -1.592  -0.161
  238   1HZ   LYS  29           HZ1      LYS  29  17.156  -2.363   2.155
  239   2HZ   LYS  29           HZ2      LYS  29  16.027  -1.177   2.679
  240   3HZ   LYS  29           HZ3      LYS  29  15.542  -2.470   1.640
  241    H    TYR  30           H        TYR  30  15.237   4.424   1.849
  242    HA   TYR  30           HA       TYR  30  16.825   6.146   0.093
  243   1HB   TYR  30           HB1      TYR  30  13.943   5.318   0.150
  244   2HB   TYR  30           HB2      TYR  30  14.573   6.584  -0.908
  245    HD1  TYR  30           HD1      TYR  30  17.112   5.553  -1.896
  246    HD2  TYR  30           HD2      TYR  30  13.492   3.384  -0.912
  247    HE1  TYR  30           HE1      TYR  30  17.545   3.983  -3.820
  248    HE2  TYR  30           HE2      TYR  30  14.136   1.586  -2.541
  249    HH   TYR  30           HH       TYR  30  15.456   1.014  -4.169
  250    H    GLU  31           H        GLU  31  14.967   6.021   3.025
  251    HA   GLU  31           HA       GLU  31  14.874   7.554   4.692
  252   1HB   GLU  31           HB1      GLU  31  16.749   8.846   3.631
  253   2HB   GLU  31           HB2      GLU  31  15.484   9.709   2.672
  254   1HG   GLU  31           HG1      GLU  31  16.216  11.059   4.584
  255   2HG   GLU  31           HG2      GLU  31  14.486  10.554   4.692
  256    H    VAL  32           H        VAL  32  12.801   6.612   2.818
  257    HA   VAL  32           HA       VAL  32  10.990   8.799   2.260
  258    HB   VAL  32           HB       VAL  32  10.548   5.895   1.776
  259   1HG1  VAL  32          2HG1      VAL  32   8.965   8.193   0.873
  260   2HG1  VAL  32          3HG1      VAL  32   8.918   6.688   0.031
  261   3HG1  VAL  32          1HG1      VAL  32   8.502   6.679   1.742
  262   1HG2  VAL  32          3HG2      VAL  32  12.196   7.894   0.410
  263   2HG2  VAL  32          1HG2      VAL  32  12.022   6.134   0.111
  264   3HG2  VAL  32          2HG2      VAL  32  10.949   7.307  -0.651
  265    HA   PRO  33           HA       PRO  33  10.145   8.616   6.579
  266   1HB   PRO  33           HB1      PRO  33   7.880  10.504   6.208
  267   2HB   PRO  33           HB2      PRO  33   9.405  10.746   7.085
  268   1HG   PRO  33           HG1      PRO  33   8.754  11.731   4.414
  269   2HG   PRO  33           HG2      PRO  33  10.267  11.925   5.281
  270   1HD   PRO  33           HD2      PRO  33   9.829  10.136   2.986
  271   2HD   PRO  33           HD1      PRO  33  11.308  10.193   4.022
  272    H    VAL  34           H        VAL  34   8.305   8.780   8.197
  273    HA   VAL  34           HA       VAL  34   7.422   7.180   9.472
  274    HB   VAL  34           HB       VAL  34   5.036   7.624   7.916
  275   1HG1  VAL  34          1HG1      VAL  34   5.624   5.835   9.958
  276   2HG1  VAL  34          2HG1      VAL  34   4.242   6.956  10.279
  277   3HG1  VAL  34          3HG1      VAL  34   4.202   5.877   8.937
  278   1HG2  VAL  34          2HG2      VAL  34   6.626   9.299   9.517
  279   2HG2  VAL  34          3HG2      VAL  34   4.879   9.485   9.481
  280   3HG2  VAL  34          1HG2      VAL  34   5.663   8.423  10.663
  281    H    ILE  35           H        ILE  35   5.296   5.653   7.295
  282    HA   ILE  35           HA       ILE  35   6.588   3.038   7.944
  283    HB   ILE  35           HB       ILE  35   3.880   4.108   8.466
  284   1HG1  ILE  35          1HG1      ILE  35   6.147   3.914  10.064
  285   2HG1  ILE  35          2HG1      ILE  35   4.472   4.078  10.666
  286   1HG2  ILE  35          3HG2      ILE  35   3.379   2.338   7.198
  287   2HG2  ILE  35          1HG2      ILE  35   4.329   1.240   8.280
  288   3HG2  ILE  35          2HG2      ILE  35   2.846   2.089   8.843
  289   1HD1  ILE  35           HD2      ILE  35   4.518   1.451  10.916
  290   2HD1  ILE  35           HD3      ILE  35   6.189   1.579  10.587
  291   3HD1  ILE  35           HD1      ILE  35   5.478   2.555  11.930
  292    H    ILE  36           H        ILE  36   5.751   1.173   6.708
  293    HA   ILE  36           HA       ILE  36   3.543   1.540   4.834
  294    HB   ILE  36           HB       ILE  36   5.930  -0.090   4.215
  295   1HG1  ILE  36          1HG1      ILE  36   5.489   1.903   2.181
  296   2HG1  ILE  36          2HG1      ILE  36   5.367   2.786   3.696
  297   1HG2  ILE  36          3HG2      ILE  36   3.407  -0.590   3.280
  298   2HG2  ILE  36          1HG2      ILE  36   4.233   0.239   1.968
  299   3HG2  ILE  36          2HG2      ILE  36   4.958  -1.210   2.730
  300   1HD1  ILE  36           HD3      ILE  36   7.722   1.297   4.078
  301   2HD1  ILE  36           HD1      ILE  36   7.672   1.760   2.323
  302   3HD1  ILE  36           HD2      ILE  36   7.673   2.980   3.593
  303    H    GLU  37           H        GLU  37   2.036   0.573   6.177
  304    HA   GLU  37           HA       GLU  37   2.665  -2.030   7.473
  305   1HB   GLU  37           HB1      GLU  37   0.822   0.221   8.439
  306   2HB   GLU  37           HB2      GLU  37   0.773  -1.476   9.022
  307   1HG   GLU  37           HG1      GLU  37   3.484  -0.417   9.078
  308   2HG   GLU  37           HG2      GLU  37   2.357   0.620   9.994
  309    H    ALA  38           H        ALA  38   1.308  -3.704   7.196
  310    HA   ALA  38           HA       ALA  38  -0.801  -3.448   5.165
  311   1HB   ALA  38           HB1      ALA  38   1.262  -5.224   5.233
  312   2HB   ALA  38           HB2      ALA  38   0.052  -6.162   6.116
  313   3HB   ALA  38           HB3      ALA  38  -0.310  -5.528   4.498
  314    H    PHE  39           H        PHE  39  -2.840  -4.255   5.488
  315    HA   PHE  39           HA       PHE  39  -3.796  -5.045   8.128
  316   1HB   PHE  39           HB1      PHE  39  -4.543  -2.375   6.831
  317   2HB   PHE  39           HB2      PHE  39  -5.224  -3.086   8.317
  318    HD1  PHE  39           HD2      PHE  39  -3.114  -3.981   9.926
  319    HD2  PHE  39           HD1      PHE  39  -3.019  -0.667   7.131
  320    HE1  PHE  39           HE2      PHE  39  -1.003  -3.069  10.929
  321    HE2  PHE  39           HE1      PHE  39  -1.566   0.598   8.700
  322    HZ   PHE  39           HZ       PHE  39  -0.685  -0.586  10.771
  323    HA   PRO  40           HA       PRO  40  -6.858  -6.777   5.406
  324   1HB   PRO  40           HB1      PRO  40  -8.744  -7.773   7.128
  325   2HB   PRO  40           HB2      PRO  40  -7.057  -8.352   7.074
  326   1HG   PRO  40           HG1      PRO  40  -8.337  -6.500   9.093
  327   2HG   PRO  40           HG2      PRO  40  -7.003  -7.676   9.323
  328   1HD   PRO  40           HD2      PRO  40  -6.773  -4.742   8.764
  329   2HD   PRO  40           HD1      PRO  40  -5.436  -5.920   8.935
  330    H    GLU  41           H        GLU  41  -7.377  -4.936   4.298
  331    HA   GLU  41           HA       GLU  41  -8.382  -3.055   3.700
  332   1HB   GLU  41           HB1      GLU  41 -10.584  -3.451   2.713
  333   2HB   GLU  41           HB2      GLU  41  -9.442  -4.803   2.439
  334   1HG   GLU  41           HG1      GLU  41 -11.252  -6.080   3.008
  335   2HG   GLU  41           HG2      GLU  41 -10.672  -5.756   4.642
  336    H    THR  42           H        THR  42 -10.844  -4.384   6.002
  337    HA   THR  42           HA       THR  42 -12.325  -2.540   6.998
  338    HB   THR  42           HB       THR  42 -12.389  -3.628   8.969
  339    HG1  THR  42           HG1      THR  42 -10.473  -4.116  10.262
  340   1HG2  THR  42          2HG2      THR  42 -12.095  -5.502   7.432
  341   2HG2  THR  42          3HG2      THR  42 -10.359  -5.392   7.759
  342   3HG2  THR  42          1HG2      THR  42 -11.504  -5.769   9.070
  343    H    LEU  43           H        LEU  43  -8.758  -2.175   7.182
  344    HA   LEU  43           HA       LEU  43  -8.848  -0.240   9.398
  345   1HB   LEU  43           HB1      LEU  43  -7.250  -2.571   8.434
  346   2HB   LEU  43           HB2      LEU  43  -6.203  -1.154   8.815
  347    HG   LEU  43           HG       LEU  43  -8.234  -2.354  10.662
  348   1HD1  LEU  43          3HD1      LEU  43  -5.760  -3.688  10.143
  349   2HD1  LEU  43          1HD1      LEU  43  -5.834  -3.110  11.803
  350   3HD1  LEU  43          2HD1      LEU  43  -7.087  -4.199  11.123
  351   1HD2  LEU  43          3HD2      LEU  43  -6.702   0.068  10.766
  352   2HD2  LEU  43          1HD2      LEU  43  -7.624  -0.693  12.074
  353   3HD2  LEU  43          2HD2      LEU  43  -5.890  -1.017  11.902
  354    H    ALA  44           H        ALA  44  -8.924  -0.112   6.112
  355    HA   ALA  44           HA       ALA  44  -6.637   1.436   5.485
  356   1HB   ALA  44           HB1      ALA  44  -9.136   0.514   4.006
  357   2HB   ALA  44           HB2      ALA  44  -8.215   1.845   3.287
  358   3HB   ALA  44           HB3      ALA  44  -7.453   0.255   3.546
  359    H    GLY  45           H        GLY  45 -10.115   1.932   5.946
  360   1HA   GLY  45           HA1      GLY  45 -10.702   4.475   5.538
  361   2HA   GLY  45           HA2      GLY  45 -11.140   3.631   7.068
  362    H    GLU  46           H        GLU  46  -8.495   3.273   8.018
  363    HA   GLU  46           HA       GLU  46  -8.331   5.914   9.343
  364   1HB   GLU  46           HB1      GLU  46  -8.751   3.395  10.386
  365   2HB   GLU  46           HB2      GLU  46  -6.988   3.546  10.555
  366   1HG   GLU  46           HG1      GLU  46  -7.834   4.424  12.576
  367   2HG   GLU  46           HG2      GLU  46  -7.536   5.881  11.551
  368    H    LYS  47           H        LYS  47  -6.281   3.225   7.949
  369    HA   LYS  47           HA       LYS  47  -3.831   4.645   8.470
  370   1HB   LYS  47           HB1      LYS  47  -4.080   2.176   6.802
  371   2HB   LYS  47           HB2      LYS  47  -2.667   2.791   7.690
  372   1HG   LYS  47           HG1      LYS  47  -5.253   1.754   8.864
  373   2HG   LYS  47           HG2      LYS  47  -3.602   1.080   9.066
  374   1HD   LYS  47           HD1      LYS  47  -2.971   3.262  10.173
  375   2HD   LYS  47           HD2      LYS  47  -4.692   3.654  10.168
  376   1HE   LYS  47           HE1      LYS  47  -4.837   1.158  11.285
  377   2HE   LYS  47           HE2      LYS  47  -3.151   1.571  11.745
  378   1HZ   LYS  47           HZ1      LYS  47  -3.989   3.599  12.706
  379   2HZ   LYS  47           HZ2      LYS  47  -5.582   3.043  12.440
  380   3HZ   LYS  47           HZ3      LYS  47  -4.546   2.197  13.488
  381    H    GLY  48           H        GLY  48  -5.126   3.245   5.380
  382   1HA   GLY  48           HA1      GLY  48  -4.819   4.736   3.308
  383   2HA   GLY  48           HA2      GLY  48  -6.457   4.430   3.924
  384    H    GLN  49           H        GLN  49  -7.449   6.157   5.336
  385    HA   GLN  49           HA       GLN  49  -7.366   8.666   4.297
  386   1HB   GLN  49           HB1      GLN  49  -9.178   8.831   5.670
  387   2HB   GLN  49           HB2      GLN  49  -8.719   7.318   6.442
  388   1HG   GLN  49           HG1      GLN  49  -7.536   8.395   8.223
  389   2HG   GLN  49           HG2      GLN  49  -7.566   9.929   7.399
  390   1HE2  GLN  49          1HE2      GLN  49 -11.369   8.688   8.491
  391   2HE2  GLN  49          2HE2      GLN  49 -10.324   7.533   7.667
  392    H    ASN  50           H        ASN  50  -5.612   7.501   7.286
  393    HA   ASN  50           HA       ASN  50  -4.375   9.955   8.025
  394   1HB   ASN  50           HB1      ASN  50  -4.289   7.149   8.840
  395   2HB   ASN  50           HB2      ASN  50  -2.673   7.845   8.854
  396   1HD2  ASN  50          1HD2      ASN  50  -5.217   9.939  11.285
  397   2HD2  ASN  50          2HD2      ASN  50  -5.848   9.472   9.667
  398    H    ALA  51           H        ALA  51  -3.801   7.701   5.473
  399    HA   ALA  51           HA       ALA  51  -1.025   7.507   5.466
  400   1HB   ALA  51           HB2      ALA  51  -2.668   5.889   4.383
  401   2HB   ALA  51           HB3      ALA  51  -2.915   7.097   3.133
  402   3HB   ALA  51           HB1      ALA  51  -1.335   6.358   3.348
  403    H    ASP  52           H        ASP  52   0.386   8.210   3.597
  404    HA   ASP  52           HA       ASP  52  -0.540  10.527   1.980
  405   1HB   ASP  52           HB1      ASP  52   1.590  10.660   3.282
  406   2HB   ASP  52           HB2      ASP  52   2.305   9.447   2.183
  407    H    VAL  53           H        VAL  53   0.594   7.099   1.791
  408    HA   VAL  53           HA       VAL  53  -0.883   6.885  -0.735
  409    HB   VAL  53           HB       VAL  53   2.016   6.222  -0.484
  410   1HG1  VAL  53          3HG1      VAL  53   0.185   4.308  -1.656
  411   2HG1  VAL  53          1HG1      VAL  53   1.258   5.090  -2.824
  412   3HG1  VAL  53          2HG1      VAL  53   1.908   4.277  -1.370
  413   1HG2  VAL  53          3HG2      VAL  53   0.619   8.222  -1.900
  414   2HG2  VAL  53          1HG2      VAL  53   2.307   7.703  -2.125
  415   3HG2  VAL  53          2HG2      VAL  53   1.014   7.052  -3.131
  416    H    VAL  54           H        VAL  54  -1.688   4.657  -1.096
  417    HA   VAL  54           HA       VAL  54  -1.323   2.702   1.039
  418    HB   VAL  54           HB       VAL  54  -3.524   4.387   0.835
  419   1HG1  VAL  54          3HG1      VAL  54  -4.311   1.890  -0.397
  420   2HG1  VAL  54          1HG1      VAL  54  -5.208   2.363   1.039
  421   3HG1  VAL  54          2HG1      VAL  54  -5.031   3.481  -0.375
  422   1HG2  VAL  54          1HG2      VAL  54  -2.378   3.433   2.886
  423   2HG2  VAL  54          2HG2      VAL  54  -4.102   3.037   2.992
  424   3HG2  VAL  54          3HG2      VAL  54  -2.952   1.816   2.438
  425    H    LEU  55           H        LEU  55  -1.402   0.515   0.114
  426    HA   LEU  55           HA       LEU  55  -2.652   0.233  -2.584
  427   1HB   LEU  55           HB1      LEU  55  -0.298  -1.399  -1.549
  428   2HB   LEU  55           HB2      LEU  55  -0.810  -1.075  -3.201
  429    HG   LEU  55           HG       LEU  55  -0.014   1.192  -1.606
  430   1HD1  LEU  55          1HD1      LEU  55   1.742  -1.005  -1.613
  431   2HD1  LEU  55          2HD1      LEU  55   2.507   0.607  -1.858
  432   3HD1  LEU  55          3HD1      LEU  55   1.454   0.264  -0.475
  433   1HD2  LEU  55          3HD2      LEU  55  -0.460   0.764  -4.303
  434   2HD2  LEU  55          1HD2      LEU  55   0.592   2.049  -3.727
  435   3HD2  LEU  55          2HD2      LEU  55   1.299   0.496  -4.229
  436    H    LEU  56           H        LEU  56  -3.945  -1.516  -2.998
  437    HA   LEU  56           HA       LEU  56  -4.703  -3.339  -0.774
  438   1HB   LEU  56           HB1      LEU  56  -6.332  -1.714  -2.636
  439   2HB   LEU  56           HB2      LEU  56  -6.654  -3.475  -2.919
  440    HG   LEU  56           HG       LEU  56  -6.938  -3.398  -0.385
  441   1HD1  LEU  56          3HD1      LEU  56  -5.843  -1.301  -0.298
  442   2HD1  LEU  56          1HD1      LEU  56  -7.198  -0.536  -1.123
  443   3HD1  LEU  56          2HD1      LEU  56  -7.365  -1.122   0.546
  444   1HD2  LEU  56          2HD2      LEU  56  -8.617  -3.555  -2.495
  445   2HD2  LEU  56          3HD2      LEU  56  -9.195  -3.701  -0.834
  446   3HD2  LEU  56          1HD2      LEU  56  -9.290  -2.142  -1.659
  447    H    GLY  57           H        GLY  57  -4.412  -5.605  -1.268
  448   1HA   GLY  57           HA1      GLY  57  -2.876  -6.526  -3.291
  449   2HA   GLY  57           HA2      GLY  57  -4.114  -7.495  -2.407
  450    HA   PRO  58           HA       PRO  58  -5.074  -5.945  -7.055
  451   1HB   PRO  58           HB1      PRO  58  -3.776  -8.708  -7.364
  452   2HB   PRO  58           HB2      PRO  58  -3.986  -7.503  -8.632
  453   1HG   PRO  58           HG1      PRO  58  -1.668  -7.656  -7.099
  454   2HG   PRO  58           HG2      PRO  58  -2.208  -6.096  -7.783
  455   1HD   PRO  58           HD2      PRO  58  -2.150  -6.953  -4.953
  456   2HD   PRO  58           HD1      PRO  58  -2.599  -5.336  -5.602
  457    H    GLN  59           H        GLN  59  -5.297  -8.785  -5.154
  458    HA   GLN  59           HA       GLN  59  -7.611  -9.973  -6.450
  459   1HB   GLN  59           HB1      GLN  59  -6.833 -11.979  -5.209
  460   2HB   GLN  59           HB2      GLN  59  -5.389 -11.223  -5.959
  461   1HG   GLN  59           HG1      GLN  59  -5.519  -9.963  -3.593
  462   2HG   GLN  59           HG2      GLN  59  -6.140 -11.577  -3.164
  463   1HE2  GLN  59          1HE2      GLN  59  -2.149 -11.031  -3.689
  464   2HE2  GLN  59          2HE2      GLN  59  -3.277  -9.649  -3.799
  465    H    ILE  60           H        ILE  60  -7.317  -7.686  -4.183
  466    HA   ILE  60           HA       ILE  60  -9.885  -8.563  -2.968
  467    HB   ILE  60           HB       ILE  60  -8.699  -7.667  -1.315
  468   1HG1  ILE  60          1HG1      ILE  60 -10.087  -5.067  -1.898
  469   2HG1  ILE  60          2HG1      ILE  60 -11.134  -6.527  -1.943
  470   1HG2  ILE  60          1HG2      ILE  60  -7.430  -5.890  -3.191
  471   2HG2  ILE  60          2HG2      ILE  60  -7.862  -5.117  -1.655
  472   3HG2  ILE  60          3HG2      ILE  60  -6.856  -6.520  -1.646
  473   1HD1  ILE  60           HD2      ILE  60  -9.572  -6.589   0.513
  474   2HD1  ILE  60           HD3      ILE  60 -10.379  -5.077   0.300
  475   3HD1  ILE  60           HD1      ILE  60 -11.317  -6.590   0.106
  476    H    ALA  61           H        ALA  61  -8.350  -6.019  -4.989
  477    HA   ALA  61           HA       ALA  61  -9.111  -4.414  -6.287
  478   1HB   ALA  61           HB1      ALA  61  -8.997  -6.635  -7.569
  479   2HB   ALA  61           HB2      ALA  61 -10.766  -6.599  -7.542
  480   3HB   ALA  61           HB3      ALA  61  -9.837  -5.329  -8.377
  481    H    TYR  62           H        TYR  62 -12.065  -6.351  -5.540
  482    HA   TYR  62           HA       TYR  62 -13.812  -4.797  -7.069
  483   1HB   TYR  62           HB1      TYR  62 -15.463  -6.246  -6.209
  484   2HB   TYR  62           HB2      TYR  62 -13.959  -7.230  -6.374
  485    HD1  TYR  62           HD1      TYR  62 -12.524  -7.655  -4.312
  486    HD2  TYR  62           HD2      TYR  62 -16.154  -5.420  -3.999
  487    HE1  TYR  62           HE1      TYR  62 -12.735  -8.257  -1.859
  488    HE2  TYR  62           HE2      TYR  62 -16.802  -6.718  -1.887
  489    HH   TYR  62           HH       TYR  62 -16.052  -8.083  -0.334
  490    H    MET  63           H        MET  63 -12.363  -4.546  -3.942
  491    HA   MET  63           HA       MET  63 -14.381  -3.004  -2.623
  492   1HB   MET  63           HB1      MET  63 -11.884  -4.441  -1.930
  493   2HB   MET  63           HB2      MET  63 -12.486  -3.188  -0.777
  494   1HG   MET  63           HG1      MET  63 -14.086  -5.468  -1.925
  495   2HG   MET  63           HG2      MET  63 -13.172  -5.622  -0.403
  496   1HE   MET  63           HE3      MET  63 -13.941  -5.228   1.759
  497   2HE   MET  63           HE1      MET  63 -15.551  -4.585   2.171
  498   3HE   MET  63           HE2      MET  63 -15.403  -6.145   1.337
  499    H    LEU  64           H        LEU  64 -11.438  -2.656  -4.385
  500    HA   LEU  64           HA       LEU  64 -10.228  -0.374  -3.486
  501   1HB   LEU  64           HB1      LEU  64  -9.154  -1.771  -5.185
  502   2HB   LEU  64           HB2      LEU  64 -10.607  -1.773  -6.220
  503    HG   LEU  64           HG       LEU  64  -8.623  -0.735  -7.157
  504   1HD1  LEU  64          3HD1      LEU  64 -11.260   0.287  -7.268
  505   2HD1  LEU  64          1HD1      LEU  64 -10.014   1.457  -7.725
  506   3HD1  LEU  64          2HD1      LEU  64 -10.114  -0.070  -8.584
  507   1HD2  LEU  64          1HD2      LEU  64  -8.452   0.669  -4.704
  508   2HD2  LEU  64          2HD2      LEU  64  -7.514   0.997  -6.173
  509   3HD2  LEU  64          3HD2      LEU  64  -8.974   1.920  -5.833
  510    HA   PRO  65           HA       PRO  65 -13.872   1.989  -5.836
  511   1HB   PRO  65           HB1      PRO  65 -15.825  -0.192  -5.150
  512   2HB   PRO  65           HB2      PRO  65 -15.895   1.014  -6.483
  513   1HG   PRO  65           HG1      PRO  65 -15.106  -1.507  -7.064
  514   2HG   PRO  65           HG2      PRO  65 -14.102  -0.163  -7.715
  515   1HD   PRO  65           HD2      PRO  65 -13.788  -1.708  -5.080
  516   2HD   PRO  65           HD1      PRO  65 -12.515  -1.483  -6.333
  517    H    GLU  66           H        GLU  66 -14.415  -0.167  -3.128
  518    HA   GLU  66           HA       GLU  66 -16.096   1.686  -1.671
  519   1HB   GLU  66           HB1      GLU  66 -15.087  -1.144  -1.147
  520   2HB   GLU  66           HB2      GLU  66 -16.039  -0.253   0.056
  521   1HG   GLU  66           HG1      GLU  66 -17.892   0.012  -1.563
  522   2HG   GLU  66           HG2      GLU  66 -16.942  -0.757  -2.818
  523    H    ILE  67           H        ILE  67 -12.729   0.751  -1.855
  524    HA   ILE  67           HA       ILE  67 -11.605   1.888   0.527
  525    HB   ILE  67           HB       ILE  67 -10.392   1.580  -2.149
  526   1HG1  ILE  67          1HG1      ILE  67 -10.681  -0.723  -1.692
  527   2HG1  ILE  67          2HG1      ILE  67  -9.159  -0.372  -0.856
  528   1HG2  ILE  67          2HG2      ILE  67  -9.369   2.949  -0.039
  529   2HG2  ILE  67          3HG2      ILE  67  -8.414   1.448  -0.103
  530   3HG2  ILE  67          1HG2      ILE  67  -8.637   2.401  -1.549
  531   1HD1  ILE  67           HD1      ILE  67 -11.499  -0.043   0.801
  532   2HD1  ILE  67           HD2      ILE  67 -11.303  -1.754   0.325
  533   3HD1  ILE  67           HD3      ILE  67  -9.983  -0.996   1.122
  534    H    GLN  68           H        GLN  68 -12.386   2.947  -2.784
  535    HA   GLN  68           HA       GLN  68 -11.010   5.533  -2.450
  536   1HB   GLN  68           HB1      GLN  68 -11.930   3.715  -4.707
  537   2HB   GLN  68           HB2      GLN  68 -11.757   5.446  -5.052
  538   1HG   GLN  68           HG1      GLN  68  -9.540   3.902  -3.729
  539   2HG   GLN  68           HG2      GLN  68  -9.732   3.884  -5.496
  540   1HE2  GLN  68          1HE2      GLN  68  -8.488   7.317  -3.672
  541   2HE2  GLN  68          2HE2      GLN  68  -9.200   6.040  -2.665
  542    H    ARG  69           H        ARG  69 -14.248   4.420  -2.014
  543    HA   ARG  69           HA       ARG  69 -15.345   7.087  -2.714
  544   1HB   ARG  69           HB1      ARG  69 -17.538   6.024  -3.111
  545   2HB   ARG  69           HB2      ARG  69 -16.256   5.396  -4.194
  546   1HG   ARG  69           HG1      ARG  69 -17.348   3.421  -3.562
  547   2HG   ARG  69           HG2      ARG  69 -16.082   3.511  -2.299
  548   1HD   ARG  69           HD1      ARG  69 -17.620   3.618  -0.666
  549   2HD   ARG  69           HD2      ARG  69 -18.500   4.943  -1.449
  550    HE   ARG  69           HE       ARG  69 -19.105   2.107  -1.683
  551   1HH1  ARG  69          2HH1      ARG  69 -19.417   5.060  -3.304
  552   2HH1  ARG  69          1HH1      ARG  69 -21.094   4.567  -4.039
  553   1HH2  ARG  69          2HH2      ARG  69 -20.940   1.593  -2.624
  554   2HH2  ARG  69          1HH2      ARG  69 -21.823   2.845  -3.751
  555    H    LEU  70           H        LEU  70 -15.131   4.396  -0.362
  556    HA   LEU  70           HA       LEU  70 -16.324   5.585   1.904
  557   1HB   LEU  70           HB1      LEU  70 -15.054   3.278   1.294
  558   2HB   LEU  70           HB2      LEU  70 -13.632   4.177   1.883
  559    HG   LEU  70           HG       LEU  70 -15.415   4.418   3.957
  560   1HD1  LEU  70          1HD1      LEU  70 -16.747   2.631   2.627
  561   2HD1  LEU  70          2HD1      LEU  70 -15.778   1.555   3.641
  562   3HD1  LEU  70          3HD1      LEU  70 -16.731   2.818   4.379
  563   1HD2  LEU  70          1HD2      LEU  70 -13.146   2.539   3.350
  564   2HD2  LEU  70          2HD2      LEU  70 -13.192   3.955   4.501
  565   3HD2  LEU  70          3HD2      LEU  70 -13.928   2.438   4.898
  566    H    LEU  71           H        LEU  71 -12.875   5.771   0.636
  567    HA   LEU  71           HA       LEU  71 -12.409   8.233   2.171
  568   1HB   LEU  71           HB1      LEU  71 -10.821   7.041   3.580
  569   2HB   LEU  71           HB2      LEU  71 -11.448   5.542   2.901
  570    HG   LEU  71           HG       LEU  71  -9.612   5.814   1.088
  571   1HD1  LEU  71          3HD1      LEU  71  -9.122   8.082   1.364
  572   2HD1  LEU  71          1HD1      LEU  71  -8.331   7.682   2.906
  573   3HD1  LEU  71          2HD1      LEU  71  -7.711   7.050   1.388
  574   1HD2  LEU  71          3HD2      LEU  71  -9.748   4.269   3.294
  575   2HD2  LEU  71          1HD2      LEU  71  -8.202   4.546   2.484
  576   3HD2  LEU  71          2HD2      LEU  71  -8.618   5.438   3.948
  577    HA   PRO  72           HA       PRO  72 -10.803   8.796  -2.014
  578   1HB   PRO  72           HB1      PRO  72 -12.736  10.110  -3.196
  579   2HB   PRO  72           HB2      PRO  72 -12.985   8.394  -2.745
  580   1HG   PRO  72           HG1      PRO  72 -13.945  10.901  -1.290
  581   2HG   PRO  72           HG2      PRO  72 -14.825   9.384  -1.501
  582   1HD   PRO  72           HD2      PRO  72 -13.180  10.065   0.786
  583   2HD   PRO  72           HD1      PRO  72 -13.894   8.457   0.447
  584    H    ASN  73           H        ASN  73  -9.519  10.205  -0.177
  585    HA   ASN  73           HA       ASN  73  -9.095  12.665  -1.665
  586   1HB   ASN  73           HB1      ASN  73  -9.453  12.484   1.362
  587   2HB   ASN  73           HB2      ASN  73  -8.594  13.868   0.600
  588   1HD2  ASN  73          1HD2      ASN  73 -11.808  15.425   0.564
  589   2HD2  ASN  73          2HD2      ASN  73 -10.130  15.532   1.123
  590    H    LYS  74           H        LYS  74  -7.801   9.954  -1.448
  591    HA   LYS  74           HA       LYS  74  -5.080  10.901  -0.792
  592   1HB   LYS  74           HB1      LYS  74  -5.813   8.073  -0.046
  593   2HB   LYS  74           HB2      LYS  74  -4.502   9.117   0.512
  594   1HG   LYS  74           HG1      LYS  74  -7.454   9.778   1.068
  595   2HG   LYS  74           HG2      LYS  74  -6.464   8.762   2.170
  596   1HD   LYS  74           HD1      LYS  74  -5.818  11.642   1.410
  597   2HD   LYS  74           HD2      LYS  74  -6.689  11.148   2.866
  598   1HE   LYS  74           HE1      LYS  74  -4.762  10.353   3.903
  599   2HE   LYS  74           HE2      LYS  74  -4.098   9.664   2.387
  600   1HZ   LYS  74           HZ1      LYS  74  -3.609  11.954   1.708
  601   2HZ   LYS  74           HZ2      LYS  74  -4.133  12.509   3.228
  602   3HZ   LYS  74           HZ3      LYS  74  -2.758  11.528   3.112
  603    HA   PRO  75           HA       PRO  75  -3.901   8.448  -4.313
  604   1HB   PRO  75           HB1      PRO  75  -1.173   8.289  -4.000
  605   2HB   PRO  75           HB2      PRO  75  -2.070   9.754  -4.508
  606   1HG   PRO  75           HG1      PRO  75  -1.074   9.048  -1.645
  607   2HG   PRO  75           HG2      PRO  75  -0.964  10.594  -2.521
  608   1HD   PRO  75           HD2      PRO  75  -2.978   9.922  -0.675
  609   2HD   PRO  75           HD1      PRO  75  -3.221  11.127  -1.957
  610    H    VAL  76           H        VAL  76  -5.197   6.768  -3.423
  611    HA   VAL  76           HA       VAL  76  -3.979   4.336  -2.369
  612    HB   VAL  76           HB       VAL  76  -6.711   4.562  -3.596
  613   1HG1  VAL  76          3HG1      VAL  76  -5.342   2.490  -2.037
  614   2HG1  VAL  76          1HG1      VAL  76  -6.879   3.061  -1.435
  615   3HG1  VAL  76          2HG1      VAL  76  -6.780   2.485  -3.113
  616   1HG2  VAL  76          3HG2      VAL  76  -5.666   5.567  -0.903
  617   2HG2  VAL  76          1HG2      VAL  76  -6.626   6.450  -2.092
  618   3HG2  VAL  76          2HG2      VAL  76  -7.363   5.167  -1.118
  619    H    GLU  77           H        GLU  77  -3.802   2.332  -3.453
  620    HA   GLU  77           HA       GLU  77  -4.368   2.014  -6.233
  621   1HB   GLU  77           HB1      GLU  77  -1.556   2.666  -5.486
  622   2HB   GLU  77           HB2      GLU  77  -1.720   1.149  -6.406
  623   1HG   GLU  77           HG1      GLU  77  -3.222   2.601  -8.039
  624   2HG   GLU  77           HG2      GLU  77  -2.481   3.987  -7.211
  625    H    VAL  78           H        VAL  78  -4.719  -0.112  -6.751
  626    HA   VAL  78           HA       VAL  78  -4.044  -2.352  -5.096
  627    HB   VAL  78           HB       VAL  78  -5.395  -1.730  -7.541
  628   1HG1  VAL  78          2HG1      VAL  78  -3.451  -3.925  -8.100
  629   2HG1  VAL  78          3HG1      VAL  78  -5.012  -3.741  -8.923
  630   3HG1  VAL  78          1HG1      VAL  78  -3.909  -2.378  -8.942
  631   1HG2  VAL  78          1HG2      VAL  78  -5.363  -4.107  -5.650
  632   2HG2  VAL  78          2HG2      VAL  78  -6.549  -2.807  -5.731
  633   3HG2  VAL  78          3HG2      VAL  78  -6.503  -3.972  -7.035
  634    H    ILE  79           H        ILE  79  -2.151  -3.461  -4.898
  635    HA   ILE  79           HA       ILE  79   0.386  -2.740  -5.848
  636    HB   ILE  79           HB       ILE  79  -0.731  -4.769  -4.066
  637   1HG1  ILE  79          1HG1      ILE  79   1.751  -2.942  -4.224
  638   2HG1  ILE  79          2HG1      ILE  79   0.275  -2.636  -3.290
  639   1HG2  ILE  79          3HG2      ILE  79   0.284  -6.193  -5.780
  640   2HG2  ILE  79          1HG2      ILE  79   1.820  -5.400  -5.334
  641   3HG2  ILE  79          2HG2      ILE  79   0.931  -6.368  -4.130
  642   1HD1  ILE  79           HD3      ILE  79   0.893  -4.771  -1.941
  643   2HD1  ILE  79           HD1      ILE  79   2.405  -4.690  -2.837
  644   3HD1  ILE  79           HD2      ILE  79   1.893  -3.425  -1.637
  645    H    ASP  80           H        ASP  80   1.680  -4.615  -7.095
  646    HA   ASP  80           HA       ASP  80   0.152  -6.001  -9.164
  647   1HB   ASP  80           HB1      ASP  80   2.921  -4.973  -8.857
  648   2HB   ASP  80           HB2      ASP  80   2.917  -6.673  -9.392
  649    H    SER  81           H        SER  81   0.288  -8.297  -9.317
  650    HA   SER  81           HA       SER  81  -0.216  -9.319  -6.676
  651   1HB   SER  81           HB1      SER  81  -1.874  -9.337  -8.460
  652   2HB   SER  81           HB2      SER  81  -0.785 -10.252  -9.540
  653    HG   SER  81           HG       SER  81  -2.454 -11.565  -8.469
  654    H    LEU  82           H        LEU  82   2.301  -9.651  -9.094
  655    HA   LEU  82           HA       LEU  82   3.263 -12.248  -8.162
  656   1HB   LEU  82           HB1      LEU  82   3.138 -12.149 -10.545
  657   2HB   LEU  82           HB2      LEU  82   3.427 -10.392 -10.564
  658    HG   LEU  82           HG       LEU  82   5.489 -10.586 -11.078
  659   1HD1  LEU  82          2HD1      LEU  82   6.488 -11.499  -8.842
  660   2HD1  LEU  82          3HD1      LEU  82   6.226 -13.053  -9.596
  661   3HD1  LEU  82          1HD1      LEU  82   7.263 -11.802 -10.393
  662   1HD2  LEU  82          3HD2      LEU  82   4.313 -13.383 -11.421
  663   2HD2  LEU  82          1HD2      LEU  82   4.530 -12.118 -12.649
  664   3HD2  LEU  82          2HD2      LEU  82   5.923 -13.013 -12.070
  665    H    LEU  83           H        LEU  83   4.178  -8.727  -8.626
  666    HA   LEU  83           HA       LEU  83   6.695  -8.784  -7.396
  667   1HB   LEU  83           HB1      LEU  83   4.464  -6.770  -8.067
  668   2HB   LEU  83           HB2      LEU  83   5.758  -6.191  -7.025
  669    HG   LEU  83           HG       LEU  83   5.907  -5.555  -9.327
  670   1HD1  LEU  83          2HD1      LEU  83   8.240  -6.808  -7.998
  671   2HD1  LEU  83          3HD1      LEU  83   8.359  -6.303  -9.657
  672   3HD1  LEU  83          1HD1      LEU  83   7.806  -5.141  -8.408
  673   1HD2  LEU  83          2HD2      LEU  83   5.064  -7.880 -10.199
  674   2HD2  LEU  83          3HD2      LEU  83   6.280  -7.116 -11.176
  675   3HD2  LEU  83          1HD2      LEU  83   6.769  -8.382 -10.034
  676    H    TYR  84           H        TYR  84   3.353  -7.993  -6.242
  677    HA   TYR  84           HA       TYR  84   3.516  -7.833  -3.487
  678   1HB   TYR  84           HB1      TYR  84   1.361  -7.978  -5.063
  679   2HB   TYR  84           HB2      TYR  84   1.442  -9.697  -4.700
  680    HD1  TYR  84           HD1      TYR  84   2.793  -8.963  -1.831
  681    HD2  TYR  84           HD2      TYR  84  -0.794  -7.869  -3.976
  682    HE1  TYR  84           HE1      TYR  84   1.445  -9.213   0.260
  683    HE2  TYR  84           HE2      TYR  84  -2.033  -7.650  -1.796
  684    HH   TYR  84           HH       TYR  84  -2.006  -8.092   0.355
  685    H    GLY  85           H        GLY  85   2.771 -10.960  -5.177
  686   1HA   GLY  85           HA1      GLY  85   2.813 -12.434  -2.800
  687   2HA   GLY  85           HA2      GLY  85   2.642 -13.053  -4.472
  688    H    LYS  86           H        LYS  86   5.278 -11.767  -5.291
  689    HA   LYS  86           HA       LYS  86   7.092 -13.702  -4.082
  690   1HB   LYS  86           HB1      LYS  86   7.390 -11.850  -6.441
  691   2HB   LYS  86           HB2      LYS  86   8.811 -12.653  -5.697
  692   1HG   LYS  86           HG1      LYS  86   7.086 -14.753  -5.854
  693   2HG   LYS  86           HG2      LYS  86   6.477 -13.827  -7.234
  694   1HD   LYS  86           HD1      LYS  86   8.400 -14.086  -8.483
  695   2HD   LYS  86           HD2      LYS  86   9.466 -14.166  -7.074
  696   1HE   LYS  86           HE1      LYS  86   8.010 -16.368  -8.523
  697   2HE   LYS  86           HE2      LYS  86   9.533 -16.423  -7.607
  698   1HZ   LYS  86           HZ1      LYS  86   8.175 -16.315  -5.565
  699   2HZ   LYS  86           HZ2      LYS  86   6.773 -16.473  -6.562
  700   3HZ   LYS  86           HZ3      LYS  86   7.893 -17.722  -6.507
  701    H    VAL  87           H        VAL  87   5.966 -10.716  -3.076
  702    HA   VAL  87           HA       VAL  87   6.447  -9.320  -1.485
  703    HB   VAL  87           HB       VAL  87   8.072 -11.571  -0.241
  704   1HG1  VAL  87          3HG1      VAL  87   7.330  -8.905   0.708
  705   2HG1  VAL  87          1HG1      VAL  87   7.036 -10.341   1.744
  706   3HG1  VAL  87          2HG1      VAL  87   8.657  -9.984   1.090
  707   1HG2  VAL  87          1HG2      VAL  87   5.135 -11.193  -0.712
  708   2HG2  VAL  87          2HG2      VAL  87   5.996 -12.665  -0.238
  709   3HG2  VAL  87          3HG2      VAL  87   5.609 -11.413   0.976
  710    H    ASP  88           H        ASP  88   7.638  -8.374  -3.402
  711    HA   ASP  88           HA       ASP  88  10.250  -7.332  -2.414
  712   1HB   ASP  88           HB1      ASP  88  10.398  -8.331  -4.701
  713   2HB   ASP  88           HB2      ASP  88   9.317  -7.063  -5.312
  714    H    GLY  89           H        GLY  89   9.956  -5.489  -1.276
  715   1HA   GLY  89           HA1      GLY  89   8.089  -3.525  -1.584
  716   2HA   GLY  89           HA2      GLY  89   9.776  -3.258  -1.017
  717    H    LEU  90           H        LEU  90  11.307  -3.640  -3.259
  718    HA   LEU  90           HA       LEU  90  11.550  -0.881  -3.667
  719   1HB   LEU  90           HB1      LEU  90  13.201  -2.993  -4.001
  720   2HB   LEU  90           HB2      LEU  90  12.589  -3.016  -5.673
  721    HG   LEU  90           HG       LEU  90  14.631  -1.445  -4.373
  722   1HD1  LEU  90          2HD1      LEU  90  14.293  -2.604  -7.066
  723   2HD1  LEU  90          3HD1      LEU  90  15.182  -1.086  -6.891
  724   3HD1  LEU  90          1HD1      LEU  90  15.620  -2.523  -5.917
  725   1HD2  LEU  90          3HD2      LEU  90  12.450   0.111  -5.803
  726   2HD2  LEU  90          1HD2      LEU  90  13.441   0.528  -4.418
  727   3HD2  LEU  90          2HD2      LEU  90  14.144   0.565  -6.047
  728    H    GLY  91           H        GLY  91  10.016  -3.339  -5.893
  729   1HA   GLY  91           HA1      GLY  91   9.165  -1.698  -7.946
  730   2HA   GLY  91           HA2      GLY  91   8.404  -3.206  -7.384
  731    H    VAL  92           H        VAL  92   7.234  -2.841  -5.083
  732    HA   VAL  92           HA       VAL  92   4.939  -1.376  -5.620
  733    HB   VAL  92           HB       VAL  92   4.204  -2.503  -3.678
  734   1HG1  VAL  92          3HG1      VAL  92   5.876  -4.141  -5.453
  735   2HG1  VAL  92          1HG1      VAL  92   4.916  -4.778  -4.122
  736   3HG1  VAL  92          2HG1      VAL  92   4.172  -3.879  -5.496
  737   1HG2  VAL  92          2HG2      VAL  92   6.769  -2.056  -2.660
  738   2HG2  VAL  92          3HG2      VAL  92   5.691  -3.226  -1.935
  739   3HG2  VAL  92          1HG2      VAL  92   6.817  -3.751  -3.201
  740    H    LEU  93           H        LEU  93   7.933  -0.556  -3.951
  741    HA   LEU  93           HA       LEU  93   6.993   1.814  -2.580
  742   1HB   LEU  93           HB1      LEU  93   9.151   0.605  -2.015
  743   2HB   LEU  93           HB2      LEU  93   9.716   0.755  -3.682
  744    HG   LEU  93           HG       LEU  93  10.984   2.085  -2.171
  745   1HD1  LEU  93          1HD1      LEU  93   9.998   3.081  -4.540
  746   2HD1  LEU  93          2HD1      LEU  93  10.076   4.456  -3.463
  747   3HD1  LEU  93          3HD1      LEU  93  11.503   3.495  -3.658
  748   1HD2  LEU  93          2HD2      LEU  93   8.981   2.493  -0.578
  749   2HD2  LEU  93          3HD2      LEU  93  10.145   3.809  -0.751
  750   3HD2  LEU  93          1HD2      LEU  93   8.600   3.853  -1.629
  751    H    LYS  94           H        LYS  94   8.499   1.021  -5.825
  752    HA   LYS  94           HA       LYS  94   8.403   3.574  -6.938
  753   1HB   LYS  94           HB1      LYS  94   9.550   1.775  -8.074
  754   2HB   LYS  94           HB2      LYS  94   8.033   0.867  -8.298
  755   1HG   LYS  94           HG1      LYS  94   7.095   2.802  -9.597
  756   2HG   LYS  94           HG2      LYS  94   8.711   3.578  -9.544
  757   1HD   LYS  94           HD1      LYS  94   8.307   0.795 -10.712
  758   2HD   LYS  94           HD2      LYS  94   8.018   2.270 -11.664
  759   1HE   LYS  94           HE1      LYS  94  10.400   3.023 -11.003
  760   2HE   LYS  94           HE2      LYS  94  10.667   1.357 -10.411
  761   1HZ   LYS  94           HZ1      LYS  94   9.963   0.604 -12.649
  762   2HZ   LYS  94           HZ2      LYS  94   9.946   2.211 -13.168
  763   3HZ   LYS  94           HZ3      LYS  94  11.421   1.503 -12.636
  764    H    ALA  95           H        ALA  95   6.037   0.936  -7.647
  765    HA   ALA  95           HA       ALA  95   4.146   2.222  -9.054
  766   1HB   ALA  95           HB3      ALA  95   3.813   0.037  -7.002
  767   2HB   ALA  95           HB1      ALA  95   2.434   0.648  -7.948
  768   3HB   ALA  95           HB2      ALA  95   3.809  -0.099  -8.750
  769    H    ALA  96           H        ALA  96   4.442   2.226  -5.457
  770    HA   ALA  96           HA       ALA  96   2.260   3.647  -4.601
  771   1HB   ALA  96           HB3      ALA  96   4.864   2.898  -3.622
  772   2HB   ALA  96           HB1      ALA  96   4.530   4.579  -3.155
  773   3HB   ALA  96           HB2      ALA  96   3.415   3.286  -2.690
  774    H    VAL  97           H        VAL  97   5.533   4.997  -5.393
  775    HA   VAL  97           HA       VAL  97   5.222   7.643  -5.579
  776    HB   VAL  97           HB       VAL  97   6.750   5.699  -7.217
  777   1HG1  VAL  97          1HG1      VAL  97   6.141   7.293  -8.807
  778   2HG1  VAL  97          2HG1      VAL  97   6.958   8.568  -7.850
  779   3HG1  VAL  97          3HG1      VAL  97   7.895   7.268  -8.554
  780   1HG2  VAL  97          1HG2      VAL  97   7.198   7.493  -4.921
  781   2HG2  VAL  97          2HG2      VAL  97   8.159   6.082  -5.366
  782   3HG2  VAL  97          3HG2      VAL  97   8.459   7.640  -6.151
  783    H    ALA  98           H        ALA  98   4.429   5.313  -8.229
  784    HA   ALA  98           HA       ALA  98   3.613   6.951 -10.210
  785   1HB   ALA  98           HB3      ALA  98   3.215   4.150  -9.537
  786   2HB   ALA  98           HB1      ALA  98   1.727   4.806 -10.233
  787   3HB   ALA  98           HB2      ALA  98   3.264   4.837 -11.123
  788    H    ALA  99           H        ALA  99   1.673   5.807  -7.466
  789    HA   ALA  99           HA       ALA  99  -0.881   6.732  -8.119
  790   1HB   ALA  99           HB3      ALA  99   0.338   5.399  -5.982
  791   2HB   ALA  99           HB1      ALA  99  -0.294   6.859  -5.232
  792   3HB   ALA  99           HB2      ALA  99  -1.372   5.768  -6.120
  793    H    ILE 100           H        ILE 100   1.517   8.248  -5.846
  794    HA   ILE 100           HA       ILE 100   0.187  10.473  -5.042
  795    HB   ILE 100           HB       ILE 100   2.727   9.392  -4.703
  796   1HG1  ILE 100          1HG1      ILE 100   1.028  10.124  -2.969
  797   2HG1  ILE 100          2HG1      ILE 100   2.707  10.607  -2.647
  798   1HG2  ILE 100          2HG2      ILE 100   3.023  12.158  -5.696
  799   2HG2  ILE 100          3HG2      ILE 100   4.162  11.451  -4.592
  800   3HG2  ILE 100          1HG2      ILE 100   3.840  10.635  -6.140
  801   1HD1  ILE 100           HD1      ILE 100   1.452  12.680  -4.063
  802   2HD1  ILE 100           HD2      ILE 100   0.393  12.353  -2.693
  803   3HD1  ILE 100           HD3      ILE 100   2.037  12.717  -2.359
  804    H    LYS 101           H        LYS 101   2.514  10.059  -7.690
  805    HA   LYS 101           HA       LYS 101   2.565  12.839  -8.393
  806   1HB   LYS 101           HB1      LYS 101   4.320  12.391  -9.796
  807   2HB   LYS 101           HB2      LYS 101   4.474  11.080  -8.612
  808   1HG   LYS 101           HG1      LYS 101   4.718   9.812 -10.467
  809   2HG   LYS 101           HG2      LYS 101   2.942   9.785 -10.433
  810   1HD   LYS 101           HD1      LYS 101   3.880  12.161 -11.863
  811   2HD   LYS 101           HD2      LYS 101   4.749  10.739 -12.477
  812   1HE   LYS 101           HE1      LYS 101   1.914  11.543 -12.969
  813   2HE   LYS 101           HE2      LYS 101   2.900  10.303 -13.821
  814   1HZ   LYS 101           HZ1      LYS 101   2.406   8.814 -11.968
  815   2HZ   LYS 101           HZ2      LYS 101   1.304   9.988 -11.356
  816   3HZ   LYS 101           HZ3      LYS 101   1.034   9.274 -12.874
  817    H    LYS 102           H        LYS 102   0.569  10.133  -9.498
  818    HA   LYS 102           HA       LYS 102  -0.411  11.378 -11.864
  819   1HB   LYS 102           HB1      LYS 102  -0.750   9.075 -11.682
  820   2HB   LYS 102           HB2      LYS 102  -1.546   9.216 -10.085
  821   1HG   LYS 102           HG1      LYS 102  -3.561   9.790 -10.994
  822   2HG   LYS 102           HG2      LYS 102  -2.827  10.816 -12.249
  823   1HD   LYS 102           HD1      LYS 102  -2.165   8.358 -13.241
  824   2HD   LYS 102           HD2      LYS 102  -3.612   7.933 -12.317
  825   1HE   LYS 102           HE1      LYS 102  -4.414  10.328 -13.562
  826   2HE   LYS 102           HE2      LYS 102  -3.408   9.563 -14.817
  827   1HZ   LYS 102           HZ1      LYS 102  -4.686   7.513 -14.437
  828   2HZ   LYS 102           HZ2      LYS 102  -5.702   8.372 -13.365
  829   3HZ   LYS 102           HZ3      LYS 102  -5.655   8.818 -15.006
  830    H    ALA 103           H        ALA 103  -1.166  11.623  -8.430
  831    HA   ALA 103           HA       ALA 103  -3.487  13.323  -8.741
  832   1HB   ALA 103           HB3      ALA 103  -1.905  12.249  -6.431
  833   2HB   ALA 103           HB1      ALA 103  -2.758  13.772  -6.154
  834   3HB   ALA 103           HB2      ALA 103  -3.635  12.315  -6.649
  835    H    ALA 104           H        ALA 104  -0.373  13.850  -9.512
  836    HA   ALA 104           HA       ALA 104   1.020  15.586  -8.173
  837   1HB   ALA 104           HB1      ALA 104   0.414  15.599 -11.126
  838   2HB   ALA 104           HB2      ALA 104   1.501  16.825 -10.468
  839   3HB   ALA 104           HB3      ALA 104   1.890  15.108 -10.278
  840    H    ALA 105           H        ALA 105  -0.776  17.274 -10.737
  841    HA   ALA 105           HA       ALA 105  -2.146  19.190  -9.207
  842   1HB   ALA 105           HB2      ALA 105   0.439  19.685  -8.702
  843   2HB   ALA 105           HB3      ALA 105   0.344  20.511 -10.247
  844   3HB   ALA 105           HB1      ALA 105  -0.717  20.980  -8.908
  845    H    ASN 106           H        ASN 106  -2.069  21.513 -10.694
  846    HA   ASN 106           HA       ASN 106  -2.701  22.515 -12.581
  847   1HB   ASN 106           HB1      ASN 106  -0.875  21.097 -13.655
  848   2HB   ASN 106           HB2      ASN 106  -2.152  19.959 -14.123
  849   1HD2  ASN 106          1HD2      ASN 106  -2.462  21.774 -17.129
  850   2HD2  ASN 106          2HD2      ASN 106  -2.016  20.221 -16.399
   
  No H/Q in entry =         850
  Start of MODEL   11
    1    H    MET   1           H        MET   1   6.540  19.276   9.112
    2    HA   MET   1           HA       MET   1   6.433  17.447   6.909
    3   1HB   MET   1           HB1      MET   1   8.879  17.169   6.686
    4   2HB   MET   1           HB2      MET   1   8.342  18.794   6.159
    5   1HG   MET   1           HG1      MET   1   8.915  19.446   8.659
    6   2HG   MET   1           HG2      MET   1   9.953  18.000   8.596
    7   1HE   MET   1           HE2      MET   1  11.433  17.514   6.691
    8   2HE   MET   1           HE3      MET   1  11.038  18.390   5.216
    9   3HE   MET   1           HE1      MET   1  12.564  18.733   6.052
   10    H    GLU   2           H        GLU   2   5.541  15.939   8.349
   11    HA   GLU   2           HA       GLU   2   7.344  14.795  10.310
   12   1HB   GLU   2           HB1      GLU   2   4.490  15.732  10.908
   13   2HB   GLU   2           HB2      GLU   2   5.313  14.537  11.925
   14   1HG   GLU   2           HG1      GLU   2   6.670  16.117  12.883
   15   2HG   GLU   2           HG2      GLU   2   6.911  16.977  11.349
   16    H    LYS   3           H        LYS   3   7.258  13.544   8.042
   17    HA   LYS   3           HA       LYS   3   7.193  11.423   7.328
   18   1HB   LYS   3           HB1      LYS   3   5.734  10.603   9.857
   19   2HB   LYS   3           HB2      LYS   3   6.855   9.654   8.843
   20   1HG   LYS   3           HG1      LYS   3   7.945  12.216   9.992
   21   2HG   LYS   3           HG2      LYS   3   7.629  10.922  11.155
   22   1HD   LYS   3           HD1      LYS   3   9.510  10.777   8.737
   23   2HD   LYS   3           HD2      LYS   3   9.957  10.868  10.441
   24   1HE   LYS   3           HE1      LYS   3   8.426   8.674  10.678
   25   2HE   LYS   3           HE2      LYS   3   8.773   8.517   8.908
   26   1HZ   LYS   3           HZ1      LYS   3  11.118   8.747   9.431
   27   2HZ   LYS   3           HZ2      LYS   3  10.735   8.722  11.092
   28   3HZ   LYS   3           HZ3      LYS   3  10.405   7.355  10.126
   29    H    LYS   4           H        LYS   4   5.981  10.982   5.582
   30    HA   LYS   4           HA       LYS   4   3.073  10.681   5.826
   31   1HB   LYS   4           HB1      LYS   4   4.896  10.651   3.418
   32   2HB   LYS   4           HB2      LYS   4   3.173  10.210   3.358
   33   1HG   LYS   4           HG1      LYS   4   2.641  12.403   4.506
   34   2HG   LYS   4           HG2      LYS   4   4.348  12.881   4.293
   35   1HD   LYS   4           HD1      LYS   4   3.728  12.259   1.701
   36   2HD   LYS   4           HD2      LYS   4   2.094  12.755   2.284
   37   1HE   LYS   4           HE1      LYS   4   4.169  14.560   3.330
   38   2HE   LYS   4           HE2      LYS   4   4.235  14.509   1.566
   39   1HZ   LYS   4           HZ1      LYS   4   1.789  14.831   1.574
   40   2HZ   LYS   4           HZ2      LYS   4   1.840  15.051   3.248
   41   3HZ   LYS   4           HZ3      LYS   4   2.659  16.152   2.260
   42    H    HIS   5           H        HIS   5   2.273   8.785   4.286
   43    HA   HIS   5           HA       HIS   5   3.411   6.197   5.238
   44   1HB   HIS   5           HB1      HIS   5   0.482   6.853   5.579
   45   2HB   HIS   5           HB2      HIS   5   1.453   5.497   6.267
   46    HD1  HIS   5           HD1      HIS   5  -0.193   8.224   7.624
   47    HD2  HIS   5           HD2      HIS   5   3.859   7.135   7.623
   48    HE1  HIS   5           HE1      HIS   5   1.048   9.574   9.549
   49    H    ILE   6           H        ILE   6   3.626   4.796   3.647
   50    HA   ILE   6           HA       ILE   6   1.532   4.497   1.602
   51    HB   ILE   6           HB       ILE   6   4.330   3.483   1.754
   52   1HG1  ILE   6          1HG1      ILE   6   3.194   4.607  -0.766
   53   2HG1  ILE   6          2HG1      ILE   6   3.314   5.784   0.558
   54   1HG2  ILE   6          1HG2      ILE   6   2.959   1.608   1.164
   55   2HG2  ILE   6          2HG2      ILE   6   2.432   2.477  -0.326
   56   3HG2  ILE   6          3HG2      ILE   6   4.113   2.021  -0.069
   57   1HD1  ILE   6           HD3      ILE   6   5.649   4.143  -0.344
   58   2HD1  ILE   6           HD1      ILE   6   5.112   5.673  -1.103
   59   3HD1  ILE   6           HD2      ILE   6   5.780   5.617   0.538
   60    H    TYR   7           H        TYR   7  -0.168   3.627   2.749
   61    HA   TYR   7           HA       TYR   7   0.160   1.167   4.364
   62   1HB   TYR   7           HB1      TYR   7  -2.246   3.012   4.026
   63   2HB   TYR   7           HB2      TYR   7  -2.238   1.539   4.970
   64    HD1  TYR   7           HD1      TYR   7   0.665   2.001   6.071
   65    HD2  TYR   7           HD2      TYR   7  -3.002   4.281   5.938
   66    HE1  TYR   7           HE1      TYR   7   1.524   3.491   7.912
   67    HE2  TYR   7           HE2      TYR   7  -2.438   5.186   8.235
   68    HH   TYR   7           HH       TYR   7  -0.839   5.609   9.687
   69    H    LEU   8           H        LEU   8  -0.775  -0.708   3.755
   70    HA   LEU   8           HA       LEU   8  -1.542  -1.051   0.944
   71   1HB   LEU   8           HB1      LEU   8   1.027  -0.703   1.772
   72   2HB   LEU   8           HB2      LEU   8   0.718  -2.183   2.683
   73    HG   LEU   8           HG       LEU   8   0.532  -2.991  -0.062
   74   1HD1  LEU   8          2HD1      LEU   8   1.585  -0.905  -0.829
   75   2HD1  LEU   8          3HD1      LEU   8   2.964  -1.394   0.111
   76   3HD1  LEU   8          1HD1      LEU   8   2.299  -2.448  -1.169
   77   1HD2  LEU   8          3HD2      LEU   8   2.192  -3.300   2.448
   78   2HD2  LEU   8          1HD2      LEU   8   1.572  -4.530   1.339
   79   3HD2  LEU   8          2HD2      LEU   8   3.050  -3.619   0.959
   80    H    PHE   9           H        PHE   9  -3.254  -2.640   1.096
   81    HA   PHE   9           HA       PHE   9  -3.764  -3.663   3.832
   82   1HB   PHE   9           HB1      PHE   9  -5.381  -2.323   1.671
   83   2HB   PHE   9           HB2      PHE   9  -6.069  -2.952   3.193
   84    HD1  PHE   9           HD2      PHE   9  -3.822  -2.138   5.030
   85    HD2  PHE   9           HD1      PHE   9  -5.699   0.047   1.828
   86    HE1  PHE   9           HE2      PHE   9  -4.323  -0.226   6.609
   87    HE2  PHE   9           HE1      PHE   9  -5.905   2.035   3.362
   88    HZ   PHE   9           HZ       PHE   9  -4.543   2.022   5.502
   89    H    SER  10           H        SER  10  -2.834  -5.887   3.121
   90    HA   SER  10           HA       SER  10  -3.091  -8.004   2.663
   91   1HB   SER  10           HB1      SER  10  -4.602  -7.837   4.410
   92   2HB   SER  10           HB2      SER  10  -5.949  -7.233   3.426
   93    HG   SER  10           HG       SER  10  -6.000  -9.575   3.983
   94    H    SER  11           H        SER  11  -3.981  -9.760   1.464
   95    HA   SER  11           HA       SER  11  -5.814  -9.627  -0.627
   96   1HB   SER  11           HB1      SER  11  -3.432  -8.388  -1.383
   97   2HB   SER  11           HB2      SER  11  -3.176 -10.083  -1.899
   98    HG   SER  11           HG       SER  11  -4.054  -8.669  -3.549
   99    H    ALA  12           H        ALA  12  -5.094 -11.243   1.612
  100    HA   ALA  12           HA       ALA  12  -5.808 -13.455   1.762
  101   1HB   ALA  12           HB3      ALA  12  -5.233 -13.607  -0.919
  102   2HB   ALA  12           HB1      ALA  12  -3.907 -14.564  -0.249
  103   3HB   ALA  12           HB2      ALA  12  -5.582 -15.005   0.043
  104    H    GLY  13           H        GLY  13  -3.180 -11.720   2.291
  105   1HA   GLY  13           HA1      GLY  13  -2.060 -11.895   4.351
  106   2HA   GLY  13           HA2      GLY  13  -2.106 -13.679   4.202
  107    H    MET  14           H        MET  14  -0.428 -14.762   3.047
  108    HA   MET  14           HA       MET  14   2.032 -13.319   3.223
  109   1HB   MET  14           HB1      MET  14   2.005 -16.035   1.910
  110   2HB   MET  14           HB2      MET  14   3.106 -15.379   3.131
  111   1HG   MET  14           HG1      MET  14   0.761 -15.508   4.570
  112   2HG   MET  14           HG2      MET  14   0.561 -16.899   3.474
  113   1HE   MET  14           HE1      MET  14   1.001 -16.192   6.568
  114   2HE   MET  14           HE2      MET  14   0.630 -17.924   6.525
  115   3HE   MET  14           HE3      MET  14   2.055 -17.367   7.391
  116    H    SER  15           H        SER  15   1.218 -11.735   1.564
  117    HA   SER  15           HA       SER  15   3.276 -11.934  -0.396
  118   1HB   SER  15           HB1      SER  15   1.781 -13.050  -1.786
  119   2HB   SER  15           HB2      SER  15   0.391 -11.947  -1.349
  120    HG   SER  15           HG       SER  15   1.406 -11.589  -3.507
  121    H    THR  16           H        THR  16   2.343 -10.250   1.877
  122    HA   THR  16           HA       THR  16   1.750  -7.602   0.725
  123    HB   THR  16           HB       THR  16  -0.018  -8.917   2.765
  124    HG1  THR  16           HG1      THR  16  -1.611  -8.014   1.283
  125   1HG2  THR  16          2HG2      THR  16   0.371  -5.961   2.647
  126   2HG2  THR  16          3HG2      THR  16  -1.134  -6.755   3.042
  127   3HG2  THR  16          1HG2      THR  16   0.286  -7.066   4.039
  128    H    SER  17           H        SER  17   2.080  -9.239   3.942
  129    HA   SER  17           HA       SER  17   2.664  -6.881   5.320
  130   1HB   SER  17           HB1      SER  17   3.610  -8.917   6.938
  131   2HB   SER  17           HB2      SER  17   1.860  -8.574   6.755
  132    HG   SER  17           HG       SER  17   2.474 -10.815   6.459
  133    H    LEU  18           H        LEU  18   4.658  -9.225   3.596
  134    HA   LEU  18           HA       LEU  18   7.169  -8.477   4.917
  135   1HB   LEU  18           HB1      LEU  18   6.224 -10.891   4.177
  136   2HB   LEU  18           HB2      LEU  18   6.614 -10.375   2.528
  137    HG   LEU  18           HG       LEU  18   8.254 -11.715   4.406
  138   1HD1  LEU  18          2HD1      LEU  18   8.604 -11.006   1.529
  139   2HD1  LEU  18          3HD1      LEU  18   9.887 -11.634   2.497
  140   3HD1  LEU  18          1HD1      LEU  18   8.351 -12.539   2.363
  141   1HD2  LEU  18          2HD2      LEU  18   9.221  -8.956   3.629
  142   2HD2  LEU  18          3HD2      LEU  18   9.069  -9.563   5.305
  143   3HD2  LEU  18          1HD2      LEU  18  10.261 -10.277   4.260
  144    H    LEU  19           H        LEU  19   5.260  -7.239   2.480
  145    HA   LEU  19           HA       LEU  19   7.406  -6.585   0.609
  146   1HB   LEU  19           HB1      LEU  19   5.719  -7.116  -0.917
  147   2HB   LEU  19           HB2      LEU  19   4.610  -7.419   0.405
  148    HG   LEU  19           HG       LEU  19   4.329  -4.732   0.153
  149   1HD1  LEU  19          2HD1      LEU  19   5.833  -5.396  -2.253
  150   2HD1  LEU  19          3HD1      LEU  19   4.566  -4.287  -2.293
  151   3HD1  LEU  19          1HD1      LEU  19   5.901  -4.069  -1.083
  152   1HD2  LEU  19          1HD2      LEU  19   3.108  -7.060  -1.292
  153   2HD2  LEU  19          2HD2      LEU  19   2.272  -5.823  -0.372
  154   3HD2  LEU  19          3HD2      LEU  19   2.805  -5.438  -2.016
  155    H    VAL  20           H        VAL  20   5.032  -5.296   2.948
  156    HA   VAL  20           HA       VAL  20   5.645  -2.467   2.576
  157    HB   VAL  20           HB       VAL  20   3.553  -4.003   3.579
  158   1HG1  VAL  20          3HG1      VAL  20   5.158  -3.408   6.036
  159   2HG1  VAL  20          1HG1      VAL  20   3.380  -3.426   5.969
  160   3HG1  VAL  20          2HG1      VAL  20   4.321  -4.838   5.455
  161   1HG2  VAL  20          3HG2      VAL  20   3.424  -1.615   2.778
  162   2HG2  VAL  20          1HG2      VAL  20   2.557  -1.949   4.342
  163   3HG2  VAL  20          2HG2      VAL  20   4.065  -1.032   4.286
  164    H    SER  21           H        SER  21   6.514  -5.307   4.425
  165    HA   SER  21           HA       SER  21   7.906  -3.864   6.482
  166   1HB   SER  21           HB1      SER  21   7.076  -6.672   5.833
  167   2HB   SER  21           HB2      SER  21   8.522  -6.567   6.843
  168    HG   SER  21           HG       SER  21   6.389  -6.571   7.979
  169    H    LYS  22           H        LYS  22   8.844  -5.554   3.412
  170    HA   LYS  22           HA       LYS  22  11.652  -5.111   4.023
  171   1HB   LYS  22           HB1      LYS  22  12.114  -6.737   2.430
  172   2HB   LYS  22           HB2      LYS  22  10.411  -7.151   2.736
  173   1HG   LYS  22           HG1      LYS  22  10.137  -5.186   0.771
  174   2HG   LYS  22           HG2      LYS  22  11.639  -5.965   0.271
  175   1HD   LYS  22           HD1      LYS  22   9.068  -7.399   1.018
  176   2HD   LYS  22           HD2      LYS  22   9.518  -7.041  -0.674
  177   1HE   LYS  22           HE1      LYS  22  10.927  -8.897   1.297
  178   2HE   LYS  22           HE2      LYS  22  10.289  -9.309  -0.320
  179   1HZ   LYS  22           HZ1      LYS  22  11.963  -7.718  -1.174
  180   2HZ   LYS  22           HZ2      LYS  22  12.622  -7.610   0.361
  181   3HZ   LYS  22           HZ3      LYS  22  12.607  -9.123  -0.481
  182    H    MET  23           H        MET  23   9.019  -3.948   1.833
  183    HA   MET  23           HA       MET  23  10.242  -1.986   0.444
  184   1HB   MET  23           HB1      MET  23   7.616  -2.678   1.421
  185   2HB   MET  23           HB2      MET  23   7.759  -0.898   1.283
  186   1HG   MET  23           HG1      MET  23   8.941  -1.913  -1.009
  187   2HG   MET  23           HG2      MET  23   7.474  -2.899  -0.782
  188   1HE   MET  23           HE1      MET  23   5.594  -1.325   0.506
  189   2HE   MET  23           HE2      MET  23   5.636   0.455   0.418
  190   3HE   MET  23           HE3      MET  23   4.606  -0.405  -0.684
  191    H    ARG  24           H        ARG  24   8.787  -1.823   3.699
  192    HA   ARG  24           HA       ARG  24   9.739   0.466   4.812
  193   1HB   ARG  24           HB1      ARG  24   9.135  -2.324   5.881
  194   2HB   ARG  24           HB2      ARG  24   9.940  -1.179   6.952
  195   1HG   ARG  24           HG1      ARG  24   8.093   0.435   6.604
  196   2HG   ARG  24           HG2      ARG  24   7.357  -0.643   5.425
  197   1HD   ARG  24           HD1      ARG  24   6.564  -2.069   7.113
  198   2HD   ARG  24           HD2      ARG  24   8.023  -1.843   8.111
  199    HE   ARG  24           HE       ARG  24   6.200   0.498   7.920
  200   1HH1  ARG  24          2HH1      ARG  24   7.018  -2.335   9.684
  201   2HH1  ARG  24          1HH1      ARG  24   6.757  -1.414  11.335
  202   1HH2  ARG  24          2HH2      ARG  24   5.448   1.202   9.770
  203   2HH2  ARG  24          1HH2      ARG  24   5.905   0.279  11.383
  204    H    ALA  25           H        ALA  25  11.404  -2.685   4.547
  205    HA   ALA  25           HA       ALA  25  13.923  -1.955   5.407
  206   1HB   ALA  25           HB1      ALA  25  13.397  -4.238   5.111
  207   2HB   ALA  25           HB2      ALA  25  13.150  -4.125   3.378
  208   3HB   ALA  25           HB3      ALA  25  14.775  -3.872   4.011
  209    H    GLN  26           H        GLN  26  12.444  -0.926   2.307
  210    HA   GLN  26           HA       GLN  26  14.998   0.489   1.750
  211   1HB   GLN  26           HB1      GLN  26  13.804   0.918  -0.564
  212   2HB   GLN  26           HB2      GLN  26  14.696  -0.577  -0.294
  213   1HG   GLN  26           HG1      GLN  26  11.782  -0.947   0.166
  214   2HG   GLN  26           HG2      GLN  26  12.206  -0.310  -1.409
  215   1HE2  GLN  26          1HE2      GLN  26  13.322  -4.048  -0.285
  216   2HE2  GLN  26          2HE2      GLN  26  11.902  -3.229   0.361
  217    H    ALA  27           H        ALA  27  12.068   0.904   3.248
  218    HA   ALA  27           HA       ALA  27  12.510   3.863   3.025
  219   1HB   ALA  27           HB2      ALA  27  10.090   2.595   3.418
  220   2HB   ALA  27           HB3      ALA  27  10.627   2.784   5.088
  221   3HB   ALA  27           HB1      ALA  27  10.463   4.213   4.071
  222    H    GLU  28           H        GLU  28  13.809   1.264   4.805
  223    HA   GLU  28           HA       GLU  28  14.781   3.223   6.854
  224   1HB   GLU  28           HB1      GLU  28  14.612   0.213   7.484
  225   2HB   GLU  28           HB2      GLU  28  14.849   1.592   8.566
  226   1HG   GLU  28           HG1      GLU  28  12.536   2.406   7.970
  227   2HG   GLU  28           HG2      GLU  28  12.277   0.913   7.046
  228    H    LYS  29           H        LYS  29  15.678   0.487   4.591
  229    HA   LYS  29           HA       LYS  29  18.391   0.641   4.334
  230   1HB   LYS  29           HB1      LYS  29  16.421  -0.237   2.891
  231   2HB   LYS  29           HB2      LYS  29  16.567   1.388   2.187
  232   1HG   LYS  29           HG1      LYS  29  18.106   0.598   0.796
  233   2HG   LYS  29           HG2      LYS  29  19.246   0.544   2.209
  234   1HD   LYS  29           HD1      LYS  29  18.592  -1.499   0.393
  235   2HD   LYS  29           HD2      LYS  29  19.576  -1.599   1.874
  236   1HE   LYS  29           HE1      LYS  29  16.501  -1.803   1.853
  237   2HE   LYS  29           HE2      LYS  29  17.633  -3.168   1.675
  238   1HZ   LYS  29           HZ1      LYS  29  18.640  -2.607   3.804
  239   2HZ   LYS  29           HZ2      LYS  29  17.446  -1.397   3.995
  240   3HZ   LYS  29           HZ3      LYS  29  16.996  -3.054   3.957
  241    H    TYR  30           H        TYR  30  15.917   2.944   3.550
  242    HA   TYR  30           HA       TYR  30  17.646   5.146   2.887
  243   1HB   TYR  30           HB1      TYR  30  15.080   4.248   1.652
  244   2HB   TYR  30           HB2      TYR  30  16.080   5.618   1.087
  245    HD1  TYR  30           HD1      TYR  30  18.750   4.651   0.781
  246    HD2  TYR  30           HD2      TYR  30  15.005   2.530   0.274
  247    HE1  TYR  30           HE1      TYR  30  19.897   3.032  -0.758
  248    HE2  TYR  30           HE2      TYR  30  16.178   0.810  -1.153
  249    HH   TYR  30           HH       TYR  30  17.923   0.470  -2.419
  250    H    GLU  31           H        GLU  31  17.220   6.429   4.834
  251    HA   GLU  31           HA       GLU  31  14.790   7.116   5.930
  252   1HB   GLU  31           HB1      GLU  31  16.946   8.004   6.749
  253   2HB   GLU  31           HB2      GLU  31  17.233   8.849   5.233
  254   1HG   GLU  31           HG1      GLU  31  16.248  10.655   6.115
  255   2HG   GLU  31           HG2      GLU  31  14.699   9.751   6.071
  256    H    VAL  32           H        VAL  32  13.770   6.628   3.520
  257    HA   VAL  32           HA       VAL  32  13.041   9.207   2.339
  258    HB   VAL  32           HB       VAL  32  11.894   6.546   1.579
  259   1HG1  VAL  32          1HG1      VAL  32  11.330   9.051   0.688
  260   2HG1  VAL  32          2HG1      VAL  32  12.289   8.343  -0.651
  261   3HG1  VAL  32          3HG1      VAL  32  10.814   7.567  -0.112
  262   1HG2  VAL  32          3HG2      VAL  32  14.354   6.331   1.513
  263   2HG2  VAL  32          1HG2      VAL  32  13.530   6.175  -0.059
  264   3HG2  VAL  32          2HG2      VAL  32  14.466   7.639   0.340
  265    HA   PRO  33           HA       PRO  33  10.520   8.688   6.024
  266   1HB   PRO  33           HB1      PRO  33   9.783  11.351   6.433
  267   2HB   PRO  33           HB2      PRO  33  11.305  10.575   6.998
  268   1HG   PRO  33           HG1      PRO  33  10.870  12.318   4.547
  269   2HG   PRO  33           HG2      PRO  33  12.292  12.251   5.582
  270   1HD   PRO  33           HD2      PRO  33  12.224  10.901   3.104
  271   2HD   PRO  33           HD1      PRO  33  13.154  10.295   4.508
  272    H    VAL  34           H        VAL  34   9.193   7.519   4.455
  273    HA   VAL  34           HA       VAL  34   6.483   8.335   5.321
  274    HB   VAL  34           HB       VAL  34   6.144   8.749   3.121
  275   1HG1  VAL  34          1HG1      VAL  34   8.203   6.801   2.476
  276   2HG1  VAL  34          2HG1      VAL  34   7.024   7.228   1.254
  277   3HG1  VAL  34          3HG1      VAL  34   8.032   8.493   1.897
  278   1HG2  VAL  34          3HG2      VAL  34   4.881   6.479   4.054
  279   2HG2  VAL  34          1HG2      VAL  34   4.608   7.158   2.431
  280   3HG2  VAL  34          2HG2      VAL  34   5.662   5.776   2.702
  281    H    ILE  35           H        ILE  35   5.728   6.781   6.702
  282    HA   ILE  35           HA       ILE  35   6.873   4.220   7.102
  283    HB   ILE  35           HB       ILE  35   4.300   5.275   8.203
  284   1HG1  ILE  35          1HG1      ILE  35   6.436   6.633   8.761
  285   2HG1  ILE  35          2HG1      ILE  35   5.553   5.929  10.146
  286   1HG2  ILE  35          2HG2      ILE  35   4.848   2.692   8.237
  287   2HG2  ILE  35          3HG2      ILE  35   5.617   3.189   9.727
  288   3HG2  ILE  35          1HG2      ILE  35   3.945   3.626   9.465
  289   1HD1  ILE  35           HD2      ILE  35   7.424   4.036   9.947
  290   2HD1  ILE  35           HD3      ILE  35   8.243   5.270   9.013
  291   3HD1  ILE  35           HD1      ILE  35   7.688   5.644  10.656
  292    H    ILE  36           H        ILE  36   6.577   2.562   5.692
  293    HA   ILE  36           HA       ILE  36   4.070   2.068   4.223
  294    HB   ILE  36           HB       ILE  36   6.155   0.090   4.022
  295   1HG1  ILE  36          1HG1      ILE  36   6.305   2.670   2.454
  296   2HG1  ILE  36          2HG1      ILE  36   7.331   2.467   3.882
  297   1HG2  ILE  36          3HG2      ILE  36   3.772   0.312   2.947
  298   2HG2  ILE  36          1HG2      ILE  36   4.745   1.300   1.877
  299   3HG2  ILE  36          2HG2      ILE  36   5.163  -0.447   2.194
  300   1HD1  ILE  36           HD3      ILE  36   8.273   0.440   2.743
  301   2HD1  ILE  36           HD1      ILE  36   7.392   1.027   1.296
  302   3HD1  ILE  36           HD2      ILE  36   8.713   1.936   2.029
  303    H    GLU  37           H        GLU  37   2.498   1.501   5.691
  304    HA   GLU  37           HA       GLU  37   2.978  -1.006   7.217
  305   1HB   GLU  37           HB1      GLU  37   0.945   1.205   7.837
  306   2HB   GLU  37           HB2      GLU  37   1.057  -0.364   8.648
  307   1HG   GLU  37           HG1      GLU  37   3.643   0.597   8.843
  308   2HG   GLU  37           HG2      GLU  37   2.697   2.089   8.979
  309    H    ALA  38           H        ALA  38   1.808  -2.749   6.756
  310    HA   ALA  38           HA       ALA  38  -0.278  -2.709   4.660
  311   1HB   ALA  38           HB3      ALA  38   1.716  -4.105   4.188
  312   2HB   ALA  38           HB1      ALA  38   1.493  -4.917   5.751
  313   3HB   ALA  38           HB2      ALA  38   0.293  -5.090   4.459
  314    H    PHE  39           H        PHE  39  -2.357  -3.277   5.314
  315    HA   PHE  39           HA       PHE  39  -2.820  -4.518   7.938
  316   1HB   PHE  39           HB1      PHE  39  -4.489  -2.340   6.778
  317   2HB   PHE  39           HB2      PHE  39  -4.511  -2.994   8.392
  318    HD1  PHE  39           HD1      PHE  39  -2.127  -1.333   6.003
  319    HD2  PHE  39           HD2      PHE  39  -3.047  -2.267  10.099
  320    HE1  PHE  39           HE1      PHE  39  -0.542   0.452   6.784
  321    HE2  PHE  39           HE2      PHE  39  -1.904  -0.180  10.851
  322    HZ   PHE  39           HZ       PHE  39  -0.736   1.258   9.174
  323    HA   PRO  40           HA       PRO  40  -6.043  -6.469   5.282
  324   1HB   PRO  40           HB1      PRO  40  -7.760  -7.509   7.318
  325   2HB   PRO  40           HB2      PRO  40  -6.424  -8.363   6.509
  326   1HG   PRO  40           HG1      PRO  40  -6.407  -7.473   9.293
  327   2HG   PRO  40           HG2      PRO  40  -5.095  -8.216   8.424
  328   1HD   PRO  40           HD2      PRO  40  -5.606  -5.228   8.887
  329   2HD   PRO  40           HD1      PRO  40  -4.034  -6.072   8.651
  330    H    GLU  41           H        GLU  41  -6.968  -5.079   4.179
  331    HA   GLU  41           HA       GLU  41  -7.949  -2.989   3.876
  332   1HB   GLU  41           HB1      GLU  41  -9.739  -3.579   2.486
  333   2HB   GLU  41           HB2      GLU  41  -8.680  -4.998   2.486
  334   1HG   GLU  41           HG1      GLU  41 -11.275  -4.675   4.119
  335   2HG   GLU  41           HG2      GLU  41 -11.096  -5.624   2.621
  336    H    THR  42           H        THR  42 -10.349  -4.800   5.929
  337    HA   THR  42           HA       THR  42 -12.103  -3.239   7.021
  338    HB   THR  42           HB       THR  42 -12.108  -4.520   8.797
  339    HG1  THR  42           HG1      THR  42 -10.361  -4.450  10.387
  340   1HG2  THR  42          3HG2      THR  42  -9.800  -5.698   7.481
  341   2HG2  THR  42          1HG2      THR  42 -10.326  -6.248   9.061
  342   3HG2  THR  42          2HG2      THR  42 -11.432  -6.305   7.663
  343    H    LEU  43           H        LEU  43  -8.606  -2.535   7.358
  344    HA   LEU  43           HA       LEU  43  -8.881  -0.404   9.279
  345   1HB   LEU  43           HB1      LEU  43  -6.828  -2.129   7.917
  346   2HB   LEU  43           HB2      LEU  43  -6.241  -0.631   8.637
  347    HG   LEU  43           HG       LEU  43  -7.844  -1.912  10.602
  348   1HD1  LEU  43          3HD1      LEU  43  -7.032  -3.927   8.980
  349   2HD1  LEU  43          1HD1      LEU  43  -5.974  -3.999  10.382
  350   3HD1  LEU  43          2HD1      LEU  43  -7.695  -4.052  10.622
  351   1HD2  LEU  43          3HD2      LEU  43  -5.874  -0.325  10.855
  352   2HD2  LEU  43          1HD2      LEU  43  -5.856  -1.759  11.896
  353   3HD2  LEU  43          2HD2      LEU  43  -4.795  -1.666  10.465
  354    H    ALA  44           H        ALA  44  -8.695  -0.888   5.843
  355    HA   ALA  44           HA       ALA  44  -7.121   1.171   5.035
  356   1HB   ALA  44           HB2      ALA  44  -9.314  -0.420   3.677
  357   2HB   ALA  44           HB3      ALA  44  -9.042   1.141   2.956
  358   3HB   ALA  44           HB1      ALA  44  -7.692   0.008   3.100
  359    H    GLY  45           H        GLY  45 -10.384   1.536   6.289
  360   1HA   GLY  45           HA1      GLY  45 -10.740   4.183   5.143
  361   2HA   GLY  45           HA2      GLY  45 -11.798   3.348   6.340
  362    H    GLU  46           H        GLU  46  -9.486   2.863   8.184
  363    HA   GLU  46           HA       GLU  46  -9.387   5.547   9.383
  364   1HB   GLU  46           HB1      GLU  46  -8.858   2.811  10.635
  365   2HB   GLU  46           HB2      GLU  46  -8.877   4.374  11.526
  366   1HG   GLU  46           HG1      GLU  46 -11.046   4.068  11.907
  367   2HG   GLU  46           HG2      GLU  46 -11.333   4.347  10.204
  368    H    LYS  47           H        LYS  47  -7.144   2.673   8.779
  369    HA   LYS  47           HA       LYS  47  -4.691   4.098   9.171
  370   1HB   LYS  47           HB1      LYS  47  -5.561   1.484   8.110
  371   2HB   LYS  47           HB2      LYS  47  -4.014   2.092   7.511
  372   1HG   LYS  47           HG1      LYS  47  -3.999   0.628   9.667
  373   2HG   LYS  47           HG2      LYS  47  -2.983   2.083   9.663
  374   1HD   LYS  47           HD1      LYS  47  -4.690   3.306  10.971
  375   2HD   LYS  47           HD2      LYS  47  -5.689   1.823  11.019
  376   1HE   LYS  47           HE1      LYS  47  -4.322   0.807  12.605
  377   2HE   LYS  47           HE2      LYS  47  -2.850   1.441  11.812
  378   1HZ   LYS  47           HZ1      LYS  47  -3.430   3.611  12.716
  379   2HZ   LYS  47           HZ2      LYS  47  -4.673   2.841  13.649
  380   3HZ   LYS  47           HZ3      LYS  47  -3.060   2.433  13.915
  381    H    GLY  48           H        GLY  48  -6.247   2.914   6.146
  382   1HA   GLY  48           HA1      GLY  48  -5.170   4.321   4.170
  383   2HA   GLY  48           HA2      GLY  48  -6.920   4.097   4.280
  384    H    GLN  49           H        GLN  49  -7.815   5.784   6.208
  385    HA   GLN  49           HA       GLN  49  -7.717   8.370   5.068
  386   1HB   GLN  49           HB1      GLN  49  -9.650   7.908   6.309
  387   2HB   GLN  49           HB2      GLN  49  -8.744   6.950   7.536
  388   1HG   GLN  49           HG1      GLN  49  -8.285   8.782   8.832
  389   2HG   GLN  49           HG2      GLN  49  -8.400   9.966   7.522
  390   1HE2  GLN  49          1HE2      GLN  49 -11.867   8.494   9.193
  391   2HE2  GLN  49          2HE2      GLN  49 -10.590   7.348   8.766
  392    H    ASN  50           H        ASN  50  -5.709   6.768   7.555
  393    HA   ASN  50           HA       ASN  50  -4.265   9.254   8.116
  394   1HB   ASN  50           HB1      ASN  50  -3.805   6.500   9.349
  395   2HB   ASN  50           HB2      ASN  50  -3.071   8.042   9.865
  396   1HD2  ASN  50          1HD2      ASN  50  -5.896   7.156  12.100
  397   2HD2  ASN  50          2HD2      ASN  50  -4.834   5.987  11.276
  398    H    ALA  51           H        ALA  51  -4.282   7.366   5.565
  399    HA   ALA  51           HA       ALA  51  -1.429   6.969   5.199
  400   1HB   ALA  51           HB3      ALA  51  -3.778   5.864   3.978
  401   2HB   ALA  51           HB1      ALA  51  -2.897   6.759   2.729
  402   3HB   ALA  51           HB2      ALA  51  -2.087   5.478   3.589
  403    H    ASP  52           H        ASP  52  -0.248   7.900   3.473
  404    HA   ASP  52           HA       ASP  52  -1.184  10.349   2.181
  405   1HB   ASP  52           HB1      ASP  52   1.105  10.373   3.091
  406   2HB   ASP  52           HB2      ASP  52   1.535   9.005   2.007
  407    H    VAL  53           H        VAL  53   0.025   6.988   1.488
  408    HA   VAL  53           HA       VAL  53  -1.754   6.914  -0.859
  409    HB   VAL  53           HB       VAL  53   0.857   5.421  -0.614
  410   1HG1  VAL  53          3HG1      VAL  53  -1.233   4.614  -2.211
  411   2HG1  VAL  53          1HG1      VAL  53  -0.357   5.712  -3.241
  412   3HG1  VAL  53          2HG1      VAL  53   0.454   4.295  -2.474
  413   1HG2  VAL  53          2HG2      VAL  53   0.938   8.072  -0.913
  414   2HG2  VAL  53          3HG2      VAL  53   1.861   7.065  -2.024
  415   3HG2  VAL  53          1HG2      VAL  53   0.295   7.715  -2.523
  416    H    VAL  54           H        VAL  54  -3.294   5.366  -0.731
  417    HA   VAL  54           HA       VAL  54  -3.021   3.087   1.142
  418    HB   VAL  54           HB       VAL  54  -5.303   4.296  -0.326
  419   1HG1  VAL  54          3HG1      VAL  54  -5.431   1.744  -0.667
  420   2HG1  VAL  54          1HG1      VAL  54  -5.793   1.770   1.022
  421   3HG1  VAL  54          2HG1      VAL  54  -6.805   2.697  -0.122
  422   1HG2  VAL  54          3HG2      VAL  54  -4.575   3.623   2.535
  423   2HG2  VAL  54          1HG2      VAL  54  -4.919   5.224   1.880
  424   3HG2  VAL  54          2HG2      VAL  54  -6.232   4.047   2.185
  425    H    LEU  55           H        LEU  55  -2.495   0.971   0.311
  426    HA   LEU  55           HA       LEU  55  -3.244   0.385  -2.520
  427   1HB   LEU  55           HB1      LEU  55  -0.870  -0.403  -0.683
  428   2HB   LEU  55           HB2      LEU  55  -1.261  -1.330  -2.174
  429    HG   LEU  55           HG       LEU  55   0.073   1.220  -1.761
  430   1HD1  LEU  55          1HD1      LEU  55   0.887  -1.120  -2.637
  431   2HD1  LEU  55          2HD1      LEU  55   0.859  -0.229  -4.160
  432   3HD1  LEU  55          3HD1      LEU  55   1.727   0.451  -2.811
  433   1HD2  LEU  55          3HD2      LEU  55  -2.051   0.923  -3.885
  434   2HD2  LEU  55          1HD2      LEU  55  -1.456   2.356  -3.047
  435   3HD2  LEU  55          2HD2      LEU  55  -0.528   1.626  -4.375
  436    H    LEU  56           H        LEU  56  -4.719  -1.255  -2.713
  437    HA   LEU  56           HA       LEU  56  -4.997  -3.267  -0.515
  438   1HB   LEU  56           HB1      LEU  56  -7.075  -1.772  -2.248
  439   2HB   LEU  56           HB2      LEU  56  -7.401  -3.509  -1.925
  440    HG   LEU  56           HG       LEU  56  -6.651  -1.820   0.389
  441   1HD1  LEU  56          2HD1      LEU  56  -8.019  -0.251  -1.167
  442   2HD1  LEU  56          3HD1      LEU  56  -9.365  -1.233  -0.654
  443   3HD1  LEU  56          1HD1      LEU  56  -8.302  -0.379   0.551
  444   1HD2  LEU  56          3HD2      LEU  56  -7.698  -4.269   0.568
  445   2HD2  LEU  56          1HD2      LEU  56  -8.190  -2.950   1.611
  446   3HD2  LEU  56          2HD2      LEU  56  -9.219  -3.437   0.233
  447    H    GLY  57           H        GLY  57  -4.863  -5.438  -1.119
  448   1HA   GLY  57           HA1      GLY  57  -3.274  -6.407  -3.034
  449   2HA   GLY  57           HA2      GLY  57  -4.761  -7.256  -2.332
  450    HA   PRO  58           HA       PRO  58  -5.205  -6.618  -7.044
  451   1HB   PRO  58           HB1      PRO  58  -3.981  -9.274  -7.578
  452   2HB   PRO  58           HB2      PRO  58  -3.657  -7.719  -8.328
  453   1HG   PRO  58           HG1      PRO  58  -2.120  -9.077  -6.133
  454   2HG   PRO  58           HG2      PRO  58  -1.701  -7.663  -7.154
  455   1HD   PRO  58           HD2      PRO  58  -2.511  -7.534  -4.335
  456   2HD   PRO  58           HD1      PRO  58  -2.383  -6.122  -5.445
  457    H    GLN  59           H        GLN  59  -5.470  -9.147  -4.689
  458    HA   GLN  59           HA       GLN  59  -7.897 -10.260  -5.476
  459   1HB   GLN  59           HB1      GLN  59  -6.243 -10.071  -2.962
  460   2HB   GLN  59           HB2      GLN  59  -7.924 -10.695  -2.881
  461   1HG   GLN  59           HG1      GLN  59  -6.743 -12.594  -3.160
  462   2HG   GLN  59           HG2      GLN  59  -7.090 -12.190  -4.870
  463   1HE2  GLN  59          1HE2      GLN  59  -3.357 -12.726  -3.660
  464   2HE2  GLN  59          2HE2      GLN  59  -4.800 -13.665  -3.278
  465    H    ILE  60           H        ILE  60  -7.177  -7.595  -3.047
  466    HA   ILE  60           HA       ILE  60  -9.993  -7.028  -2.637
  467    HB   ILE  60           HB       ILE  60  -8.886  -7.662  -0.713
  468   1HG1  ILE  60          1HG1      ILE  60  -9.325  -5.358   0.626
  469   2HG1  ILE  60          2HG1      ILE  60  -9.955  -4.810  -0.942
  470   1HG2  ILE  60          2HG2      ILE  60  -6.650  -6.119  -1.608
  471   2HG2  ILE  60          3HG2      ILE  60  -6.942  -5.966   0.134
  472   3HG2  ILE  60          1HG2      ILE  60  -6.887  -7.544  -0.649
  473   1HD1  ILE  60           HD3      ILE  60 -10.909  -7.325   0.408
  474   2HD1  ILE  60           HD1      ILE  60 -11.478  -5.691   0.766
  475   3HD1  ILE  60           HD2      ILE  60 -11.751  -6.391  -0.818
  476    H    ALA  61           H        ALA  61  -8.752  -6.422  -5.112
  477    HA   ALA  61           HA       ALA  61  -8.283  -3.568  -5.247
  478   1HB   ALA  61           HB3      ALA  61  -8.637  -5.693  -7.408
  479   2HB   ALA  61           HB1      ALA  61  -8.381  -3.997  -7.760
  480   3HB   ALA  61           HB2      ALA  61  -7.109  -4.950  -6.977
  481    H    TYR  62           H        TYR  62 -10.881  -5.850  -5.480
  482    HA   TYR  62           HA       TYR  62 -12.604  -4.740  -7.396
  483   1HB   TYR  62           HB1      TYR  62 -14.137  -6.456  -6.536
  484   2HB   TYR  62           HB2      TYR  62 -12.476  -7.114  -6.523
  485    HD1  TYR  62           HD2      TYR  62 -15.030  -5.506  -4.338
  486    HD2  TYR  62           HD1      TYR  62 -11.213  -7.456  -4.497
  487    HE1  TYR  62           HE2      TYR  62 -15.523  -6.646  -2.145
  488    HE2  TYR  62           HE1      TYR  62 -11.477  -8.209  -2.117
  489    HH   TYR  62           HH       TYR  62 -14.556  -7.426  -0.335
  490    H    MET  63           H        MET  63 -11.717  -4.237  -4.109
  491    HA   MET  63           HA       MET  63 -14.043  -2.624  -3.367
  492   1HB   MET  63           HB1      MET  63 -11.913  -4.149  -1.942
  493   2HB   MET  63           HB2      MET  63 -12.552  -2.688  -1.124
  494   1HG   MET  63           HG1      MET  63 -14.670  -4.317  -2.338
  495   2HG   MET  63           HG2      MET  63 -13.782  -5.212  -1.087
  496   1HE   MET  63           HE3      MET  63 -16.500  -5.243  -0.538
  497   2HE   MET  63           HE1      MET  63 -17.254  -3.890   0.313
  498   3HE   MET  63           HE2      MET  63 -17.025  -3.860  -1.453
  499    H    LEU  64           H        LEU  64 -10.880  -2.139  -4.696
  500    HA   LEU  64           HA       LEU  64  -9.605  -0.137  -3.390
  501   1HB   LEU  64           HB1      LEU  64  -8.607  -0.971  -5.440
  502   2HB   LEU  64           HB2      LEU  64 -10.175  -0.944  -6.305
  503    HG   LEU  64           HG       LEU  64  -8.066   0.526  -6.875
  504   1HD1  LEU  64          2HD1      LEU  64 -10.334   0.360  -8.149
  505   2HD1  LEU  64          3HD1      LEU  64 -10.568   1.951  -7.461
  506   3HD1  LEU  64          1HD1      LEU  64  -9.102   1.565  -8.428
  507   1HD2  LEU  64          1HD2      LEU  64  -8.612   1.611  -4.482
  508   2HD2  LEU  64          2HD2      LEU  64  -7.908   2.579  -5.818
  509   3HD2  LEU  64          3HD2      LEU  64  -9.594   2.731  -5.440
  510    HA   PRO  65           HA       PRO  65 -12.677   3.040  -5.267
  511   1HB   PRO  65           HB1      PRO  65 -15.005   2.236  -6.421
  512   2HB   PRO  65           HB2      PRO  65 -13.478   2.369  -7.351
  513   1HG   PRO  65           HG1      PRO  65 -14.709  -0.099  -6.061
  514   2HG   PRO  65           HG2      PRO  65 -14.039   0.044  -7.711
  515   1HD   PRO  65           HD2      PRO  65 -12.417  -0.974  -5.717
  516   2HD   PRO  65           HD1      PRO  65 -11.775   0.189  -6.938
  517    H    GLU  66           H        GLU  66 -14.388   0.249  -3.915
  518    HA   GLU  66           HA       GLU  66 -16.341   1.467  -2.384
  519   1HB   GLU  66           HB1      GLU  66 -15.480  -1.083  -2.610
  520   2HB   GLU  66           HB2      GLU  66 -14.626  -0.671  -1.095
  521   1HG   GLU  66           HG1      GLU  66 -16.489  -1.215   0.006
  522   2HG   GLU  66           HG2      GLU  66 -17.268   0.241  -0.636
  523    H    ILE  67           H        ILE  67 -12.830   0.956  -1.601
  524    HA   ILE  67           HA       ILE  67 -12.161   2.554   0.395
  525    HB   ILE  67           HB       ILE  67 -10.837   2.613  -2.233
  526   1HG1  ILE  67          1HG1      ILE  67 -10.195   0.400  -1.684
  527   2HG1  ILE  67          2HG1      ILE  67  -9.123   1.254  -0.595
  528   1HG2  ILE  67          3HG2      ILE  67  -9.929   3.775   0.322
  529   2HG2  ILE  67          1HG2      ILE  67  -8.879   3.290  -0.993
  530   3HG2  ILE  67          2HG2      ILE  67 -10.184   4.501  -1.265
  531   1HD1  ILE  67           HD1      ILE  67 -11.673   0.755   0.687
  532   2HD1  ILE  67           HD2      ILE  67 -11.001  -0.735   0.154
  533   3HD1  ILE  67           HD3      ILE  67  -9.994   0.272   1.141
  534    H    GLN  68           H        GLN  68 -12.494   3.876  -2.977
  535    HA   GLN  68           HA       GLN  68 -11.685   6.503  -2.014
  536   1HB   GLN  68           HB1      GLN  68 -10.465   5.908  -3.823
  537   2HB   GLN  68           HB2      GLN  68 -11.661   4.757  -4.417
  538   1HG   GLN  68           HG1      GLN  68 -12.024   6.153  -6.128
  539   2HG   GLN  68           HG2      GLN  68 -12.814   7.269  -4.978
  540   1HE2  GLN  68          1HE2      GLN  68  -8.988   8.291  -4.754
  541   2HE2  GLN  68          2HE2      GLN  68 -10.115   7.722  -3.503
  542    H    ARG  69           H        ARG  69 -14.735   5.077  -2.034
  543    HA   ARG  69           HA       ARG  69 -16.042   7.679  -2.421
  544   1HB   ARG  69           HB1      ARG  69 -17.308   5.228  -1.224
  545   2HB   ARG  69           HB2      ARG  69 -18.068   6.511  -2.138
  546   1HG   ARG  69           HG1      ARG  69 -16.057   5.242  -3.814
  547   2HG   ARG  69           HG2      ARG  69 -17.030   3.984  -3.067
  548   1HD   ARG  69           HD1      ARG  69 -18.913   5.938  -3.926
  549   2HD   ARG  69           HD2      ARG  69 -17.797   5.626  -5.283
  550    HE   ARG  69           HE       ARG  69 -18.533   3.176  -4.055
  551   1HH1  ARG  69          2HH1      ARG  69 -19.854   5.619  -6.033
  552   2HH1  ARG  69          1HH1      ARG  69 -20.971   4.377  -6.952
  553   1HH2  ARG  69          2HH2      ARG  69 -20.037   1.948  -4.920
  554   2HH2  ARG  69          1HH2      ARG  69 -20.919   2.528  -6.533
  555    H    LEU  70           H        LEU  70 -15.742   5.101   0.059
  556    HA   LEU  70           HA       LEU  70 -16.379   6.468   2.370
  557   1HB   LEU  70           HB1      LEU  70 -16.191   4.078   2.391
  558   2HB   LEU  70           HB2      LEU  70 -14.537   4.060   1.727
  559    HG   LEU  70           HG       LEU  70 -13.989   5.139   4.052
  560   1HD1  LEU  70          3HD1      LEU  70 -16.668   4.409   4.483
  561   2HD1  LEU  70          1HD1      LEU  70 -15.472   3.789   5.682
  562   3HD1  LEU  70          2HD1      LEU  70 -15.645   5.482   5.406
  563   1HD2  LEU  70          3HD2      LEU  70 -13.334   2.763   3.000
  564   2HD2  LEU  70          1HD2      LEU  70 -13.282   2.971   4.745
  565   3HD2  LEU  70          2HD2      LEU  70 -14.686   2.176   3.936
  566    H    LEU  71           H        LEU  71 -12.897   5.691   1.390
  567    HA   LEU  71           HA       LEU  71 -12.050   8.269   2.588
  568   1HB   LEU  71           HB1      LEU  71 -10.454   6.774   3.426
  569   2HB   LEU  71           HB2      LEU  71 -11.092   5.474   2.401
  570    HG   LEU  71           HG       LEU  71  -9.322   5.694   0.825
  571   1HD1  LEU  71          2HD1      LEU  71  -9.117   8.571   1.443
  572   2HD1  LEU  71          3HD1      LEU  71  -7.746   7.638   0.920
  573   3HD1  LEU  71          1HD1      LEU  71  -9.227   7.648  -0.051
  574   1HD2  LEU  71          3HD2      LEU  71  -8.825   5.626   3.674
  575   2HD2  LEU  71          1HD2      LEU  71  -7.912   4.901   2.388
  576   3HD2  LEU  71          2HD2      LEU  71  -7.541   6.576   2.891
  577    HA   PRO  72           HA       PRO  72 -12.367   9.376  -1.837
  578   1HB   PRO  72           HB1      PRO  72 -13.269  11.874  -1.546
  579   2HB   PRO  72           HB2      PRO  72 -14.307  10.489  -1.324
  580   1HG   PRO  72           HG1      PRO  72 -12.838  12.069   0.873
  581   2HG   PRO  72           HG2      PRO  72 -14.560  11.556   0.843
  582   1HD   PRO  72           HD2      PRO  72 -12.775   9.977   2.219
  583   2HD   PRO  72           HD1      PRO  72 -14.076   9.262   1.200
  584    H    ASN  73           H        ASN  73 -11.663  12.529  -0.622
  585    HA   ASN  73           HA       ASN  73  -9.998  13.599  -2.300
  586   1HB   ASN  73           HB1      ASN  73  -8.791  14.562  -0.076
  587   2HB   ASN  73           HB2      ASN  73 -10.414  15.032  -0.642
  588   1HD2  ASN  73          1HD2      ASN  73 -12.105  13.489   2.095
  589   2HD2  ASN  73          2HD2      ASN  73 -12.339  14.023   0.447
  590    H    LYS  74           H        LYS  74  -8.756  11.092   0.059
  591    HA   LYS  74           HA       LYS  74  -6.008  11.609  -0.745
  592   1HB   LYS  74           HB1      LYS  74  -6.628   9.232   0.999
  593   2HB   LYS  74           HB2      LYS  74  -5.252  10.368   0.987
  594   1HG   LYS  74           HG1      LYS  74  -6.403  11.982   2.305
  595   2HG   LYS  74           HG2      LYS  74  -8.017  11.435   1.841
  596   1HD   LYS  74           HD1      LYS  74  -8.119  10.028   3.559
  597   2HD   LYS  74           HD2      LYS  74  -6.484   9.390   3.260
  598   1HE   LYS  74           HE1      LYS  74  -6.557  10.685   5.460
  599   2HE   LYS  74           HE2      LYS  74  -5.580  11.569   4.233
  600   1HZ   LYS  74           HZ1      LYS  74  -7.592  12.776   3.657
  601   2HZ   LYS  74           HZ2      LYS  74  -8.421  12.055   4.971
  602   3HZ   LYS  74           HZ3      LYS  74  -7.073  13.081   5.236
  603    HA   PRO  75           HA       PRO  75  -4.809   8.370  -3.578
  604   1HB   PRO  75           HB1      PRO  75  -3.140   8.167  -1.036
  605   2HB   PRO  75           HB2      PRO  75  -2.647   7.708  -2.690
  606   1HG   PRO  75           HG1      PRO  75  -2.083  10.207  -1.835
  607   2HG   PRO  75           HG2      PRO  75  -2.790  10.006  -3.473
  608   1HD   PRO  75           HD2      PRO  75  -4.104  11.007  -0.937
  609   2HD   PRO  75           HD1      PRO  75  -4.557  11.387  -2.610
  610    H    VAL  76           H        VAL  76  -5.335   6.446  -4.108
  611    HA   VAL  76           HA       VAL  76  -4.919   4.303  -2.259
  612    HB   VAL  76           HB       VAL  76  -6.938   4.389  -1.383
  613   1HG1  VAL  76          1HG1      VAL  76  -7.712   5.976  -3.530
  614   2HG1  VAL  76          2HG1      VAL  76  -9.025   4.857  -3.071
  615   3HG1  VAL  76          3HG1      VAL  76  -8.351   5.970  -1.907
  616   1HG2  VAL  76          2HG2      VAL  76  -6.942   2.405  -3.609
  617   2HG2  VAL  76          3HG2      VAL  76  -7.274   2.180  -1.902
  618   3HG2  VAL  76          1HG2      VAL  76  -8.528   2.846  -3.007
  619    H    GLU  77           H        GLU  77  -4.321   2.493  -3.301
  620    HA   GLU  77           HA       GLU  77  -4.981   1.927  -6.052
  621   1HB   GLU  77           HB1      GLU  77  -2.219   2.708  -5.137
  622   2HB   GLU  77           HB2      GLU  77  -2.321   1.197  -6.085
  623   1HG   GLU  77           HG1      GLU  77  -3.826   3.511  -7.288
  624   2HG   GLU  77           HG2      GLU  77  -2.103   3.809  -7.028
  625    H    VAL  78           H        VAL  78  -4.538  -0.260  -6.700
  626    HA   VAL  78           HA       VAL  78  -4.277  -2.286  -4.698
  627    HB   VAL  78           HB       VAL  78  -4.743  -2.278  -7.597
  628   1HG1  VAL  78          3HG1      VAL  78  -3.777  -4.685  -6.159
  629   2HG1  VAL  78          1HG1      VAL  78  -4.967  -4.742  -7.450
  630   3HG1  VAL  78          2HG1      VAL  78  -3.340  -4.026  -7.720
  631   1HG2  VAL  78          1HG2      VAL  78  -6.300  -2.112  -5.319
  632   2HG2  VAL  78          2HG2      VAL  78  -6.989  -2.716  -6.813
  633   3HG2  VAL  78          3HG2      VAL  78  -6.323  -3.871  -5.646
  634    H    ILE  79           H        ILE  79  -2.456  -4.020  -4.971
  635    HA   ILE  79           HA       ILE  79   0.157  -2.977  -5.559
  636    HB   ILE  79           HB       ILE  79  -0.386  -5.780  -4.853
  637   1HG1  ILE  79          1HG1      ILE  79  -0.184  -3.360  -3.017
  638   2HG1  ILE  79          2HG1      ILE  79  -1.682  -4.314  -3.263
  639   1HG2  ILE  79          1HG2      ILE  79   1.944  -4.402  -5.251
  640   2HG2  ILE  79          2HG2      ILE  79   1.829  -4.825  -3.537
  641   3HG2  ILE  79          3HG2      ILE  79   1.727  -6.077  -4.775
  642   1HD1  ILE  79           HD3      ILE  79   0.765  -5.634  -2.189
  643   2HD1  ILE  79           HD1      ILE  79  -0.280  -4.571  -1.178
  644   3HD1  ILE  79           HD2      ILE  79  -0.836  -6.103  -1.855
  645    H    ASP  80           H        ASP  80   1.564  -4.430  -7.112
  646    HA   ASP  80           HA       ASP  80   0.219  -5.747  -9.288
  647   1HB   ASP  80           HB1      ASP  80   3.016  -4.873  -8.519
  648   2HB   ASP  80           HB2      ASP  80   2.944  -6.253  -9.618
  649    H    SER  81           H        SER  81   1.270  -8.100  -9.727
  650    HA   SER  81           HA       SER  81   0.097  -9.453  -7.359
  651   1HB   SER  81           HB1      SER  81  -1.467  -9.485  -9.148
  652   2HB   SER  81           HB2      SER  81  -0.209  -9.670 -10.384
  653    HG   SER  81           HG       SER  81  -1.514 -11.628  -9.912
  654    H    LEU  82           H        LEU  82   2.606  -9.446  -9.816
  655    HA   LEU  82           HA       LEU  82   4.070 -11.866  -8.944
  656   1HB   LEU  82           HB1      LEU  82   4.034  -9.740 -11.035
  657   2HB   LEU  82           HB2      LEU  82   5.671 -10.211 -10.570
  658    HG   LEU  82           HG       LEU  82   4.287 -12.600 -10.994
  659   1HD1  LEU  82          1HD1      LEU  82   3.458 -10.818 -13.179
  660   2HD1  LEU  82          2HD1      LEU  82   3.635 -12.564 -13.385
  661   3HD1  LEU  82          3HD1      LEU  82   2.542 -11.972 -12.140
  662   1HD2  LEU  82          3HD2      LEU  82   6.700 -12.079 -11.201
  663   2HD2  LEU  82          1HD2      LEU  82   6.066 -12.850 -12.660
  664   3HD2  LEU  82          2HD2      LEU  82   6.391 -11.110 -12.636
  665    H    LEU  83           H        LEU  83   4.407  -8.250  -8.733
  666    HA   LEU  83           HA       LEU  83   6.838  -8.201  -7.278
  667   1HB   LEU  83           HB1      LEU  83   4.365  -6.310  -7.640
  668   2HB   LEU  83           HB2      LEU  83   5.906  -5.702  -6.958
  669    HG   LEU  83           HG       LEU  83   5.045  -5.459  -9.504
  670   1HD1  LEU  83          1HD1      LEU  83   7.690  -5.028  -8.401
  671   2HD1  LEU  83          2HD1      LEU  83   7.335  -4.611 -10.064
  672   3HD1  LEU  83          3HD1      LEU  83   6.370  -3.888  -8.834
  673   1HD2  LEU  83          2HD2      LEU  83   6.721  -7.948  -9.389
  674   2HD2  LEU  83          3HD2      LEU  83   5.422  -7.569 -10.480
  675   3HD2  LEU  83          1HD2      LEU  83   6.965  -6.808 -10.743
  676    H    TYR  84           H        TYR  84   3.286  -8.127  -6.511
  677    HA   TYR  84           HA       TYR  84   3.079  -8.000  -3.837
  678   1HB   TYR  84           HB1      TYR  84   1.333  -8.084  -5.534
  679   2HB   TYR  84           HB2      TYR  84   1.520  -9.867  -5.597
  680    HD1  TYR  84           HD1      TYR  84   1.469  -7.369  -2.777
  681    HD2  TYR  84           HD2      TYR  84  -0.613 -10.537  -4.799
  682    HE1  TYR  84           HE1      TYR  84   0.150  -7.795  -0.682
  683    HE2  TYR  84           HE2      TYR  84  -1.634 -11.261  -2.628
  684    HH   TYR  84           HH       TYR  84  -2.034 -10.694  -0.514
  685    H    GLY  85           H        GLY  85   2.872 -11.228  -5.435
  686   1HA   GLY  85           HA1      GLY  85   3.277 -12.547  -2.939
  687   2HA   GLY  85           HA2      GLY  85   2.930 -13.291  -4.512
  688    H    LYS  86           H        LYS  86   5.587 -11.407  -5.074
  689    HA   LYS  86           HA       LYS  86   7.536 -13.078  -3.632
  690   1HB   LYS  86           HB1      LYS  86   8.708 -12.085  -6.052
  691   2HB   LYS  86           HB2      LYS  86   8.697 -13.731  -5.400
  692   1HG   LYS  86           HG1      LYS  86   6.271 -13.917  -6.308
  693   2HG   LYS  86           HG2      LYS  86   6.633 -12.464  -7.252
  694   1HD   LYS  86           HD1      LYS  86   7.934 -13.537  -8.685
  695   2HD   LYS  86           HD2      LYS  86   8.644 -14.623  -7.457
  696   1HE   LYS  86           HE1      LYS  86   6.743 -16.172  -7.623
  697   2HE   LYS  86           HE2      LYS  86   5.633 -14.897  -8.193
  698   1HZ   LYS  86           HZ1      LYS  86   6.989 -14.799 -10.262
  699   2HZ   LYS  86           HZ2      LYS  86   7.846 -16.171  -9.731
  700   3HZ   LYS  86           HZ3      LYS  86   6.172 -16.289 -10.025
  701    H    VAL  87           H        VAL  87   6.066 -10.242  -3.529
  702    HA   VAL  87           HA       VAL  87   6.473  -8.495  -2.305
  703    HB   VAL  87           HB       VAL  87   8.299  -9.307  -0.412
  704   1HG1  VAL  87          3HG1      VAL  87   5.465  -8.915  -0.489
  705   2HG1  VAL  87          1HG1      VAL  87   5.952 -10.325   0.405
  706   3HG1  VAL  87          2HG1      VAL  87   6.659  -8.705   0.777
  707   1HG2  VAL  87          1HG2      VAL  87   7.230 -11.709  -1.854
  708   2HG2  VAL  87          2HG2      VAL  87   8.684 -11.586  -0.873
  709   3HG2  VAL  87          3HG2      VAL  87   7.117 -11.750  -0.108
  710    H    ASP  88           H        ASP  88   7.523  -7.463  -4.189
  711    HA   ASP  88           HA       ASP  88  10.078  -7.171  -5.093
  712   1HB   ASP  88           HB1      ASP  88   7.750  -5.806  -5.494
  713   2HB   ASP  88           HB2      ASP  88   8.638  -4.644  -4.451
  714    H    GLY  89           H        GLY  89   8.785  -5.057  -2.630
  715   1HA   GLY  89           HA1      GLY  89   9.770  -3.979  -0.844
  716   2HA   GLY  89           HA2      GLY  89  11.355  -4.600  -1.313
  717    H    LEU  90           H        LEU  90  11.964  -3.765  -3.681
  718    HA   LEU  90           HA       LEU  90  12.395  -0.931  -3.202
  719   1HB   LEU  90           HB1      LEU  90  14.213  -2.666  -3.753
  720   2HB   LEU  90           HB2      LEU  90  13.504  -2.875  -5.345
  721    HG   LEU  90           HG       LEU  90  13.994  -0.260  -5.557
  722   1HD1  LEU  90          2HD1      LEU  90  14.741  -0.277  -3.028
  723   2HD1  LEU  90          3HD1      LEU  90  16.266  -0.713  -3.827
  724   3HD1  LEU  90          1HD1      LEU  90  15.349   0.760  -4.288
  725   1HD2  LEU  90          2HD2      LEU  90  15.317  -2.594  -6.450
  726   2HD2  LEU  90          3HD2      LEU  90  15.617  -0.952  -7.033
  727   3HD2  LEU  90          1HD2      LEU  90  16.578  -1.568  -5.693
  728    H    GLY  91           H        GLY  91  11.063  -3.028  -5.875
  729   1HA   GLY  91           HA1      GLY  91  10.330  -0.941  -7.608
  730   2HA   GLY  91           HA2      GLY  91   9.795  -2.658  -7.682
  731    H    VAL  92           H        VAL  92   8.842  -1.998  -4.675
  732    HA   VAL  92           HA       VAL  92   6.142  -1.234  -5.457
  733    HB   VAL  92           HB       VAL  92   7.076  -2.433  -2.886
  734   1HG1  VAL  92          3HG1      VAL  92   4.945  -0.874  -2.955
  735   2HG1  VAL  92          1HG1      VAL  92   4.261  -2.356  -3.509
  736   3HG1  VAL  92          2HG1      VAL  92   5.062  -2.303  -1.940
  737   1HG2  VAL  92          3HG2      VAL  92   7.080  -3.692  -5.218
  738   2HG2  VAL  92          1HG2      VAL  92   6.482  -4.452  -3.721
  739   3HG2  VAL  92          2HG2      VAL  92   5.345  -3.824  -4.888
  740    H    LEU  93           H        LEU  93   8.878   0.014  -3.466
  741    HA   LEU  93           HA       LEU  93   7.685   2.371  -2.558
  742   1HB   LEU  93           HB1      LEU  93  10.425   1.181  -3.020
  743   2HB   LEU  93           HB2      LEU  93  10.409   2.936  -3.025
  744    HG   LEU  93           HG       LEU  93   9.681   1.055  -0.803
  745   1HD1  LEU  93          2HD1      LEU  93  12.215   1.716  -1.349
  746   2HD1  LEU  93          3HD1      LEU  93  11.751   2.956  -0.185
  747   3HD1  LEU  93          1HD1      LEU  93  11.506   1.243   0.178
  748   1HD2  LEU  93          1HD2      LEU  93   9.097   3.992  -1.274
  749   2HD2  LEU  93          2HD2      LEU  93   8.234   2.807  -0.284
  750   3HD2  LEU  93          3HD2      LEU  93   9.665   3.615   0.338
  751    H    LYS  94           H        LYS  94   9.587   1.558  -5.594
  752    HA   LYS  94           HA       LYS  94   8.924   3.743  -7.185
  753   1HB   LYS  94           HB1      LYS  94  10.236   1.793  -7.986
  754   2HB   LYS  94           HB2      LYS  94   8.761   0.857  -8.137
  755   1HG   LYS  94           HG1      LYS  94   7.839   2.718  -9.604
  756   2HG   LYS  94           HG2      LYS  94   9.464   3.423  -9.593
  757   1HD   LYS  94           HD1      LYS  94   9.302   0.524 -10.328
  758   2HD   LYS  94           HD2      LYS  94   8.592   1.629 -11.514
  759   1HE   LYS  94           HE1      LYS  94  10.695   3.050 -11.426
  760   2HE   LYS  94           HE2      LYS  94  11.433   1.782 -10.405
  761   1HZ   LYS  94           HZ1      LYS  94  10.885   0.197 -12.202
  762   2HZ   LYS  94           HZ2      LYS  94  10.427   1.521 -13.150
  763   3HZ   LYS  94           HZ3      LYS  94  12.061   1.369 -12.619
  764    H    ALA  95           H        ALA  95   6.746   0.889  -6.640
  765    HA   ALA  95           HA       ALA  95   4.764   1.661  -8.455
  766   1HB   ALA  95           HB1      ALA  95   5.306  -0.609  -7.260
  767   2HB   ALA  95           HB2      ALA  95   4.147  -0.100  -6.087
  768   3HB   ALA  95           HB3      ALA  95   3.651  -0.225  -7.792
  769    H    ALA  96           H        ALA  96   4.909   1.930  -4.842
  770    HA   ALA  96           HA       ALA  96   2.800   3.326  -4.049
  771   1HB   ALA  96           HB1      ALA  96   5.699   3.491  -3.418
  772   2HB   ALA  96           HB2      ALA  96   4.696   4.808  -2.814
  773   3HB   ALA  96           HB3      ALA  96   4.321   3.140  -2.362
  774    H    VAL  97           H        VAL  97   5.760   4.915  -5.380
  775    HA   VAL  97           HA       VAL  97   4.933   7.546  -5.643
  776    HB   VAL  97           HB       VAL  97   6.889   5.908  -7.264
  777   1HG1  VAL  97          3HG1      VAL  97   5.987   8.044  -8.489
  778   2HG1  VAL  97          1HG1      VAL  97   7.201   8.757  -7.418
  779   3HG1  VAL  97          2HG1      VAL  97   7.592   7.436  -8.571
  780   1HG2  VAL  97          3HG2      VAL  97   6.983   6.833  -4.563
  781   2HG2  VAL  97          1HG2      VAL  97   8.368   6.432  -5.580
  782   3HG2  VAL  97          2HG2      VAL  97   7.800   8.117  -5.398
  783    H    ALA  98           H        ALA  98   4.617   4.776  -7.935
  784    HA   ALA  98           HA       ALA  98   3.363   6.164 -10.073
  785   1HB   ALA  98           HB3      ALA  98   3.741   3.243  -9.304
  786   2HB   ALA  98           HB1      ALA  98   2.695   3.710 -10.680
  787   3HB   ALA  98           HB2      ALA  98   4.411   4.117 -10.666
  788    H    ALA  99           H        ALA  99   2.103   4.822  -7.066
  789    HA   ALA  99           HA       ALA  99  -0.694   5.101  -7.792
  790   1HB   ALA  99           HB3      ALA  99  -0.052   3.395  -6.157
  791   2HB   ALA  99           HB1      ALA  99   0.661   4.629  -5.108
  792   3HB   ALA  99           HB2      ALA  99  -1.088   4.612  -5.392
  793    H    ILE 100           H        ILE 100   1.403   6.733  -5.286
  794    HA   ILE 100           HA       ILE 100   0.206   9.019  -4.687
  795    HB   ILE 100           HB       ILE 100   2.741   8.195  -4.329
  796   1HG1  ILE 100          1HG1      ILE 100   1.388   9.587  -2.834
  797   2HG1  ILE 100          2HG1      ILE 100   2.976  10.339  -3.111
  798   1HG2  ILE 100          3HG2      ILE 100   3.387   9.275  -6.625
  799   2HG2  ILE 100          1HG2      ILE 100   3.247  10.723  -5.672
  800   3HG2  ILE 100          2HG2      ILE 100   4.366   9.445  -5.184
  801   1HD1  ILE 100           HD1      ILE 100   0.482  10.997  -4.603
  802   2HD1  ILE 100           HD2      ILE 100   1.027  12.074  -3.319
  803   3HD1  ILE 100           HD3      ILE 100   2.009  11.891  -4.698
  804    H    LYS 101           H        LYS 101   1.551   8.131  -7.857
  805    HA   LYS 101           HA       LYS 101   0.704  10.692  -9.058
  806   1HB   LYS 101           HB1      LYS 101   2.829   9.189  -9.640
  807   2HB   LYS 101           HB2      LYS 101   1.679   8.458 -10.817
  808   1HG   LYS 101           HG1      LYS 101   1.076  10.855 -11.523
  809   2HG   LYS 101           HG2      LYS 101   2.483  11.377 -10.544
  810   1HD   LYS 101           HD1      LYS 101   3.611  11.185 -12.480
  811   2HD   LYS 101           HD2      LYS 101   3.588   9.434 -12.171
  812   1HE   LYS 101           HE1      LYS 101   1.163   9.548 -13.348
  813   2HE   LYS 101           HE2      LYS 101   1.811  11.067 -14.032
  814   1HZ   LYS 101           HZ1      LYS 101   3.764   9.801 -14.772
  815   2HZ   LYS 101           HZ2      LYS 101   3.000   8.359 -14.236
  816   3HZ   LYS 101           HZ3      LYS 101   2.315   9.292 -15.496
  817    H    LYS 102           H        LYS 102  -0.409   7.210  -9.021
  818    HA   LYS 102           HA       LYS 102  -2.243   7.540 -11.154
  819   1HB   LYS 102           HB1      LYS 102  -1.337   5.337 -10.203
  820   2HB   LYS 102           HB2      LYS 102  -2.626   5.443  -8.996
  821   1HG   LYS 102           HG1      LYS 102  -3.203   5.797 -11.955
  822   2HG   LYS 102           HG2      LYS 102  -3.074   4.186 -11.242
  823   1HD   LYS 102           HD1      LYS 102  -4.948   5.921  -9.757
  824   2HD   LYS 102           HD2      LYS 102  -5.376   5.721 -11.454
  825   1HE   LYS 102           HE1      LYS 102  -4.501   3.127 -10.498
  826   2HE   LYS 102           HE2      LYS 102  -5.722   3.796  -9.328
  827   1HZ   LYS 102           HZ1      LYS 102  -7.089   4.332 -11.288
  828   2HZ   LYS 102           HZ2      LYS 102  -5.975   3.474 -12.256
  829   3HZ   LYS 102           HZ3      LYS 102  -6.864   2.656 -11.057
  830    H    ALA 103           H        ALA 103  -2.335   8.780  -8.018
  831    HA   ALA 103           HA       ALA 103  -5.268   8.736  -7.736
  832   1HB   ALA 103           HB1      ALA 103  -3.066   9.223  -5.723
  833   2HB   ALA 103           HB2      ALA 103  -4.761   9.605  -5.423
  834   3HB   ALA 103           HB3      ALA 103  -4.284   7.954  -5.777
  835    H    ALA 104           H        ALA 104  -3.045  10.746  -9.165
  836    HA   ALA 104           HA       ALA 104  -3.676  12.580 -10.351
  837   1HB   ALA 104           HB1      ALA 104  -6.079  12.254  -9.436
  838   2HB   ALA 104           HB2      ALA 104  -5.660  13.451  -8.220
  839   3HB   ALA 104           HB3      ALA 104  -5.637  13.874  -9.933
  840    H    ALA 105           H        ALA 105  -2.254  14.254 -10.369
  841    HA   ALA 105           HA       ALA 105  -2.246  16.350  -8.584
  842   1HB   ALA 105           HB1      ALA 105  -0.778  14.245  -7.452
  843   2HB   ALA 105           HB2      ALA 105   0.457  15.374  -8.045
  844   3HB   ALA 105           HB3      ALA 105  -0.762  15.944  -6.937
  845    H    ASN 106           H        ASN 106  -0.534  18.015  -9.116
  846    HA   ASN 106           HA       ASN 106   0.977  19.080 -10.348
  847   1HB   ASN 106           HB1      ASN 106   2.483  18.056 -11.768
  848   2HB   ASN 106           HB2      ASN 106   1.831  16.645 -10.871
  849   1HD2  ASN 106          1HD2      ASN 106   0.967  15.024 -13.848
  850   2HD2  ASN 106          2HD2      ASN 106   1.659  14.886 -12.224
   
  No H/Q in entry =         850
  Start of MODEL   12
    1    H    MET   1           H        MET   1   7.989  16.763   6.466
    2    HA   MET   1           HA       MET   1   9.720  14.918   5.155
    3   1HB   MET   1           HB1      MET   1  11.112  17.311   6.343
    4   2HB   MET   1           HB2      MET   1  11.760  16.079   5.250
    5   1HG   MET   1           HG1      MET   1  11.520  17.985   3.855
    6   2HG   MET   1           HG2      MET   1  10.122  16.960   3.452
    7   1HE   MET   1           HE3      MET   1  10.805  19.442   6.500
    8   2HE   MET   1           HE1      MET   1   9.167  20.103   6.615
    9   3HE   MET   1           HE2      MET   1   9.475  18.350   6.879
   10    H    GLU   2           H        GLU   2   7.895  14.650   7.313
   11    HA   GLU   2           HA       GLU   2   9.743  13.660   9.337
   12   1HB   GLU   2           HB1      GLU   2   9.128  16.022  10.087
   13   2HB   GLU   2           HB2      GLU   2   7.507  15.426  10.434
   14   1HG   GLU   2           HG1      GLU   2   9.112  13.498  11.601
   15   2HG   GLU   2           HG2      GLU   2  10.024  14.993  11.911
   16    H    LYS   3           H        LYS   3   8.214  12.181   7.469
   17    HA   LYS   3           HA       LYS   3   7.765  10.017   7.871
   18   1HB   LYS   3           HB1      LYS   3   7.739  10.824  10.511
   19   2HB   LYS   3           HB2      LYS   3   6.099  10.219  10.318
   20   1HG   LYS   3           HG1      LYS   3   6.808   8.079  10.304
   21   2HG   LYS   3           HG2      LYS   3   7.813   8.373   8.880
   22   1HD   LYS   3           HD1      LYS   3   9.441   9.316  10.947
   23   2HD   LYS   3           HD2      LYS   3   8.669   7.863  11.644
   24   1HE   LYS   3           HE1      LYS   3   9.185   6.663   9.458
   25   2HE   LYS   3           HE2      LYS   3  10.215   8.096   8.993
   26   1HZ   LYS   3           HZ1      LYS   3  11.384   7.728  11.096
   27   2HZ   LYS   3           HZ2      LYS   3  10.514   6.274  11.336
   28   3HZ   LYS   3           HZ3      LYS   3  11.542   6.403  10.008
   29    H    LYS   4           H        LYS   4   6.258   9.199   6.527
   30    HA   LYS   4           HA       LYS   4   3.382   9.889   6.910
   31   1HB   LYS   4           HB1      LYS   4   4.934  10.073   4.437
   32   2HB   LYS   4           HB2      LYS   4   3.329   9.305   4.360
   33   1HG   LYS   4           HG1      LYS   4   2.260  11.313   5.153
   34   2HG   LYS   4           HG2      LYS   4   3.821  11.964   5.739
   35   1HD   LYS   4           HD1      LYS   4   3.861  11.473   2.917
   36   2HD   LYS   4           HD2      LYS   4   2.535  12.561   3.368
   37   1HE   LYS   4           HE1      LYS   4   5.135  13.072   4.760
   38   2HE   LYS   4           HE2      LYS   4   5.138  13.464   3.043
   39   1HZ   LYS   4           HZ1      LYS   4   3.047  14.722   3.442
   40   2HZ   LYS   4           HZ2      LYS   4   3.289  14.455   5.123
   41   3HZ   LYS   4           HZ3      LYS   4   4.447  15.345   4.255
   42    H    HIS   5           H        HIS   5   2.080   8.165   5.481
   43    HA   HIS   5           HA       HIS   5   2.879   5.498   6.467
   44   1HB   HIS   5           HB1      HIS   5   0.164   6.762   6.618
   45   2HB   HIS   5           HB2      HIS   5   0.527   5.075   7.068
   46    HD1  HIS   5           HD1      HIS   5  -0.425   7.515   9.107
   47    HD2  HIS   5           HD2      HIS   5   3.400   5.873   8.596
   48    HE1  HIS   5           HE1      HIS   5   0.954   8.077  11.249
   49    H    ILE   6           H        ILE   6   3.311   4.240   4.807
   50    HA   ILE   6           HA       ILE   6   1.634   4.122   2.414
   51    HB   ILE   6           HB       ILE   6   4.406   3.150   2.914
   52   1HG1  ILE   6          1HG1      ILE   6   3.202   5.005   0.863
   53   2HG1  ILE   6          2HG1      ILE   6   3.987   5.584   2.322
   54   1HG2  ILE   6          3HG2      ILE   6   2.589   2.043   0.879
   55   2HG2  ILE   6          1HG2      ILE   6   4.243   2.521   0.426
   56   3HG2  ILE   6          2HG2      ILE   6   3.902   1.366   1.755
   57   1HD1  ILE   6           HD3      ILE   6   5.958   4.006   1.126
   58   2HD1  ILE   6           HD1      ILE   6   5.002   4.645  -0.208
   59   3HD1  ILE   6           HD2      ILE   6   5.910   5.711   0.894
   60    H    TYR   7           H        TYR   7   0.066   2.526   2.352
   61    HA   TYR   7           HA       TYR   7   0.041   0.538   4.541
   62   1HB   TYR   7           HB1      TYR   7  -2.011   2.681   4.040
   63   2HB   TYR   7           HB2      TYR   7  -2.441   1.068   4.744
   64    HD1  TYR   7           HD1      TYR   7   0.693   1.399   6.057
   65    HD2  TYR   7           HD2      TYR   7  -3.295   2.805   6.478
   66    HE1  TYR   7           HE1      TYR   7   1.444   2.803   8.013
   67    HE2  TYR   7           HE2      TYR   7  -2.699   3.923   8.652
   68    HH   TYR   7           HH       TYR   7  -1.008   4.826   9.763
   69    H    LEU   8           H        LEU   8  -0.974  -1.409   3.985
   70    HA   LEU   8           HA       LEU   8  -1.210  -1.855   1.120
   71   1HB   LEU   8           HB1      LEU   8   0.532  -2.832   3.404
   72   2HB   LEU   8           HB2      LEU   8   0.292  -3.995   2.058
   73    HG   LEU   8           HG       LEU   8   1.666  -1.355   1.964
   74   1HD1  LEU   8          3HD1      LEU   8   2.695  -3.071   3.344
   75   2HD1  LEU   8          1HD1      LEU   8   2.992  -3.984   1.872
   76   3HD1  LEU   8          2HD1      LEU   8   3.773  -2.423   2.117
   77   1HD2  LEU   8          2HD2      LEU   8   1.284  -3.455  -0.206
   78   2HD2  LEU   8          3HD2      LEU   8   0.731  -1.790  -0.303
   79   3HD2  LEU   8          1HD2      LEU   8   2.459  -2.125  -0.322
   80    H    PHE   9           H        PHE   9  -3.377  -2.718   0.963
   81    HA   PHE   9           HA       PHE   9  -4.616  -3.702   3.464
   82   1HB   PHE   9           HB1      PHE   9  -5.595  -1.869   1.269
   83   2HB   PHE   9           HB2      PHE   9  -6.578  -2.525   2.602
   84    HD1  PHE   9           HD2      PHE   9  -4.393  -2.189   4.761
   85    HD2  PHE   9           HD1      PHE   9  -5.227   0.489   1.553
   86    HE1  PHE   9           HE2      PHE   9  -5.019  -0.331   6.440
   87    HE2  PHE   9           HE1      PHE   9  -5.118   2.428   3.158
   88    HZ   PHE   9           HZ       PHE   9  -4.712   1.944   5.601
   89    H    SER  10           H        SER  10  -5.462  -5.921   3.247
   90    HA   SER  10           HA       SER  10  -5.100  -7.071   0.521
   91   1HB   SER  10           HB1      SER  10  -3.134  -7.992   1.195
   92   2HB   SER  10           HB2      SER  10  -3.260  -7.053   2.707
   93    HG   SER  10           HG       SER  10  -3.027  -9.409   2.974
   94    H    SER  11           H        SER  11  -5.304  -9.576   0.739
   95    HA   SER  11           HA       SER  11  -7.481 -10.443   2.523
   96   1HB   SER  11           HB1      SER  11  -7.390 -10.446  -0.442
   97   2HB   SER  11           HB2      SER  11  -7.511 -12.110   0.232
   98    HG   SER  11           HG       SER  11  -9.585 -11.163  -0.244
   99    H    ALA  12           H        ALA  12  -4.321 -10.635   1.954
  100    HA   ALA  12           HA       ALA  12  -3.736 -13.202   1.014
  101   1HB   ALA  12           HB1      ALA  12  -2.362 -10.836   1.877
  102   2HB   ALA  12           HB2      ALA  12  -1.597 -12.174   2.660
  103   3HB   ALA  12           HB3      ALA  12  -1.754 -12.158   0.875
  104    H    GLY  13           H        GLY  13  -3.056 -12.044   4.404
  105   1HA   GLY  13           HA1      GLY  13  -2.870 -13.432   6.300
  106   2HA   GLY  13           HA2      GLY  13  -2.923 -14.866   5.249
  107    H    MET  14           H        MET  14  -0.923 -13.800   3.346
  108    HA   MET  14           HA       MET  14   1.424 -12.786   4.296
  109   1HB   MET  14           HB1      MET  14   1.048 -15.552   5.166
  110   2HB   MET  14           HB2      MET  14   2.542 -15.369   4.184
  111   1HG   MET  14           HG1      MET  14   3.616 -14.579   5.957
  112   2HG   MET  14           HG2      MET  14   2.558 -13.153   5.938
  113   1HE   MET  14           HE1      MET  14   3.204 -12.769   7.986
  114   2HE   MET  14           HE2      MET  14   1.841 -12.788   9.099
  115   3HE   MET  14           HE3      MET  14   3.231 -13.803   9.457
  116    H    SER  15           H        SER  15   0.684 -12.130   2.047
  117    HA   SER  15           HA       SER  15   2.959 -13.076   0.464
  118   1HB   SER  15           HB1      SER  15   0.822 -12.282  -1.397
  119   2HB   SER  15           HB2      SER  15   1.782 -13.841  -1.327
  120    HG   SER  15           HG       SER  15  -0.585 -14.077  -1.122
  121    H    THR  16           H        THR  16   2.753 -11.014   2.253
  122    HA   THR  16           HA       THR  16   2.411  -8.447   0.898
  123    HB   THR  16           HB       THR  16   1.095  -8.424   3.488
  124    HG1  THR  16           HG1      THR  16  -0.922  -9.327   2.647
  125   1HG2  THR  16          1HG2      THR  16   1.316  -6.645   1.619
  126   2HG2  THR  16          2HG2      THR  16  -0.295  -7.290   1.190
  127   3HG2  THR  16          3HG2      THR  16   0.020  -6.732   2.810
  128    H    SER  17           H        SER  17   2.658  -9.855   4.212
  129    HA   SER  17           HA       SER  17   3.443  -7.768   5.639
  130   1HB   SER  17           HB1      SER  17   3.005  -9.824   6.679
  131   2HB   SER  17           HB2      SER  17   4.228 -10.724   5.727
  132    HG   SER  17           HG       SER  17   4.876 -10.334   7.957
  133    H    LEU  18           H        LEU  18   5.610  -9.490   3.377
  134    HA   LEU  18           HA       LEU  18   8.059  -8.556   4.640
  135   1HB   LEU  18           HB1      LEU  18   7.056 -10.519   2.491
  136   2HB   LEU  18           HB2      LEU  18   8.794 -10.165   2.517
  137    HG   LEU  18           HG       LEU  18   9.000 -11.273   4.663
  138   1HD1  LEU  18          3HD1      LEU  18   6.805 -10.517   5.503
  139   2HD1  LEU  18          1HD1      LEU  18   6.197 -12.035   4.788
  140   3HD1  LEU  18          2HD1      LEU  18   7.381 -12.067   6.080
  141   1HD2  LEU  18          2HD2      LEU  18   7.565 -12.563   2.331
  142   2HD2  LEU  18          3HD2      LEU  18   9.185 -12.925   2.936
  143   3HD2  LEU  18          1HD2      LEU  18   7.767 -13.494   3.802
  144    H    LEU  19           H        LEU  19   5.881  -7.928   1.937
  145    HA   LEU  19           HA       LEU  19   7.441  -6.255   0.278
  146   1HB   LEU  19           HB1      LEU  19   4.507  -6.301   1.253
  147   2HB   LEU  19           HB2      LEU  19   5.033  -5.130   0.040
  148    HG   LEU  19           HG       LEU  19   4.945  -8.100  -0.362
  149   1HD1  LEU  19          2HD1      LEU  19   2.636  -6.659  -0.227
  150   2HD1  LEU  19          3HD1      LEU  19   2.980  -6.706  -1.902
  151   3HD1  LEU  19          1HD1      LEU  19   2.994  -8.220  -0.956
  152   1HD2  LEU  19          3HD2      LEU  19   6.387  -6.215  -1.915
  153   2HD2  LEU  19          1HD2      LEU  19   5.639  -7.704  -2.554
  154   3HD2  LEU  19          2HD2      LEU  19   4.778  -6.172  -2.640
  155    H    VAL  20           H        VAL  20   5.362  -5.684   3.147
  156    HA   VAL  20           HA       VAL  20   5.943  -2.971   3.663
  157    HB   VAL  20           HB       VAL  20   4.644  -3.200   5.376
  158   1HG1  VAL  20          1HG1      VAL  20   3.736  -4.803   3.551
  159   2HG1  VAL  20          2HG1      VAL  20   3.594  -5.809   5.060
  160   3HG1  VAL  20          3HG1      VAL  20   2.832  -4.270   4.949
  161   1HG2  VAL  20          2HG2      VAL  20   6.540  -4.684   6.643
  162   2HG2  VAL  20          3HG2      VAL  20   4.914  -4.440   7.281
  163   3HG2  VAL  20          1HG2      VAL  20   5.309  -5.912   6.366
  164    H    SER  21           H        SER  21   7.248  -5.871   5.327
  165    HA   SER  21           HA       SER  21   9.193  -4.494   6.741
  166   1HB   SER  21           HB1      SER  21   8.633  -7.365   5.983
  167   2HB   SER  21           HB2      SER  21  10.144  -7.005   6.900
  168    HG   SER  21           HG       SER  21   8.269  -7.543   8.230
  169    H    LYS  22           H        LYS  22   9.190  -5.286   3.355
  170    HA   LYS  22           HA       LYS  22  12.073  -5.024   3.098
  171   1HB   LYS  22           HB1      LYS  22  11.418  -6.515   1.387
  172   2HB   LYS  22           HB2      LYS  22   9.842  -5.744   1.208
  173   1HG   LYS  22           HG1      LYS  22  11.017  -3.714   0.182
  174   2HG   LYS  22           HG2      LYS  22  12.497  -4.720   0.194
  175   1HD   LYS  22           HD1      LYS  22   9.863  -5.304  -1.207
  176   2HD   LYS  22           HD2      LYS  22  11.437  -5.013  -1.985
  177   1HE   LYS  22           HE1      LYS  22  10.712  -7.365  -0.240
  178   2HE   LYS  22           HE2      LYS  22  10.970  -7.372  -2.032
  179   1HZ   LYS  22           HZ1      LYS  22  13.235  -6.621  -1.599
  180   2HZ   LYS  22           HZ2      LYS  22  13.018  -6.846   0.059
  181   3HZ   LYS  22           HZ3      LYS  22  12.907  -8.183  -0.978
  182    H    MET  23           H        MET  23   9.092  -3.600   1.842
  183    HA   MET  23           HA       MET  23   9.656  -1.264   0.849
  184   1HB   MET  23           HB1      MET  23   7.450  -2.274   2.589
  185   2HB   MET  23           HB2      MET  23   7.504  -0.506   2.449
  186   1HG   MET  23           HG1      MET  23   7.796  -1.355  -0.226
  187   2HG   MET  23           HG2      MET  23   6.651  -2.512   0.475
  188   1HE   MET  23           HE3      MET  23   7.656   1.096   0.368
  189   2HE   MET  23           HE1      MET  23   6.424   1.515  -0.853
  190   3HE   MET  23           HE2      MET  23   6.250   1.999   0.833
  191    H    ARG  24           H        ARG  24   8.643  -1.424   4.305
  192    HA   ARG  24           HA       ARG  24   9.801   0.376   5.785
  193   1HB   ARG  24           HB1      ARG  24  10.107  -2.644   6.155
  194   2HB   ARG  24           HB2      ARG  24  10.563  -1.475   7.395
  195   1HG   ARG  24           HG1      ARG  24   7.971  -0.672   6.800
  196   2HG   ARG  24           HG2      ARG  24   7.900  -2.464   6.689
  197   1HD   ARG  24           HD1      ARG  24   8.732  -2.714   8.919
  198   2HD   ARG  24           HD2      ARG  24   9.216  -0.981   8.985
  199    HE   ARG  24           HE       ARG  24   6.391  -1.383   8.458
  200   1HH1  ARG  24          2HH1      ARG  24   8.668  -0.981  10.960
  201   2HH1  ARG  24          1HH1      ARG  24   7.269  -0.727  12.251
  202   1HH2  ARG  24          2HH2      ARG  24   4.956  -0.765   9.912
  203   2HH2  ARG  24          1HH2      ARG  24   5.545  -0.188  11.640
  204    H    ALA  25           H        ALA  25  11.889  -2.475   5.022
  205    HA   ALA  25           HA       ALA  25  14.322  -1.489   5.741
  206   1HB   ALA  25           HB1      ALA  25  13.403  -3.715   3.995
  207   2HB   ALA  25           HB2      ALA  25  15.113  -3.253   3.895
  208   3HB   ALA  25           HB3      ALA  25  14.404  -3.705   5.451
  209    H    GLN  26           H        GLN  26  12.962  -1.394   2.367
  210    HA   GLN  26           HA       GLN  26  15.207  -0.304   1.083
  211   1HB   GLN  26           HB1      GLN  26  13.659  -0.343  -0.824
  212   2HB   GLN  26           HB2      GLN  26  13.751  -1.916   0.049
  213   1HG   GLN  26           HG1      GLN  26  11.344  -1.684  -0.287
  214   2HG   GLN  26           HG2      GLN  26  11.603  -0.886   1.260
  215   1HE2  GLN  26          1HE2      GLN  26   9.622   1.397  -0.359
  216   2HE2  GLN  26          2HE2      GLN  26  10.311   0.951   1.263
  217    H    ALA  27           H        ALA  27  11.982   0.982   2.111
  218    HA   ALA  27           HA       ALA  27  12.395   3.562   0.972
  219   1HB   ALA  27           HB2      ALA  27  10.302   2.423   2.913
  220   2HB   ALA  27           HB3      ALA  27  10.332   4.135   2.459
  221   3HB   ALA  27           HB1      ALA  27  10.132   2.890   1.206
  222    H    GLU  28           H        GLU  28  12.933   2.074   4.194
  223    HA   GLU  28           HA       GLU  28  13.745   4.492   5.495
  224   1HB   GLU  28           HB1      GLU  28  13.768   1.517   6.149
  225   2HB   GLU  28           HB2      GLU  28  14.743   2.625   7.150
  226   1HG   GLU  28           HG1      GLU  28  12.435   4.007   7.082
  227   2HG   GLU  28           HG2      GLU  28  11.783   2.364   6.857
  228    H    LYS  29           H        LYS  29  15.562   1.508   4.314
  229    HA   LYS  29           HA       LYS  29  18.113   2.060   3.942
  230   1HB   LYS  29           HB1      LYS  29  17.498   0.233   2.885
  231   2HB   LYS  29           HB2      LYS  29  16.014   0.973   2.212
  232   1HG   LYS  29           HG1      LYS  29  17.014   1.382   0.289
  233   2HG   LYS  29           HG2      LYS  29  18.399   2.173   1.037
  234   1HD   LYS  29           HD1      LYS  29  19.244   0.296  -0.171
  235   2HD   LYS  29           HD2      LYS  29  19.292  -0.094   1.587
  236   1HE   LYS  29           HE1      LYS  29  17.333  -1.377   1.502
  237   2HE   LYS  29           HE2      LYS  29  16.781  -0.701  -0.038
  238   1HZ   LYS  29           HZ1      LYS  29  18.707  -1.842  -1.085
  239   2HZ   LYS  29           HZ2      LYS  29  19.023  -2.626   0.417
  240   3HZ   LYS  29           HZ3      LYS  29  17.544  -2.925  -0.428
  241    H    TYR  30           H        TYR  30  15.635   3.585   1.804
  242    HA   TYR  30           HA       TYR  30  17.694   5.091   0.427
  243   1HB   TYR  30           HB1      TYR  30  14.825   4.315  -0.158
  244   2HB   TYR  30           HB2      TYR  30  15.807   5.301  -1.278
  245    HD1  TYR  30           HD2      TYR  30  18.404   3.859  -0.811
  246    HD2  TYR  30           HD1      TYR  30  14.398   2.386  -1.363
  247    HE1  TYR  30           HE2      TYR  30  19.365   1.647  -1.607
  248    HE2  TYR  30           HE1      TYR  30  15.343   0.104  -1.903
  249    HH   TYR  30           HH       TYR  30  18.863  -0.164  -2.761
  250    H    GLU  31           H        GLU  31  16.019   5.500   3.119
  251    HA   GLU  31           HA       GLU  31  15.778   7.247   4.473
  252   1HB   GLU  31           HB1      GLU  31  17.815   8.125   3.584
  253   2HB   GLU  31           HB2      GLU  31  16.989   8.831   2.194
  254   1HG   GLU  31           HG1      GLU  31  16.472  10.713   3.381
  255   2HG   GLU  31           HG2      GLU  31  15.752   9.738   4.669
  256    H    VAL  32           H        VAL  32  13.841   6.567   1.958
  257    HA   VAL  32           HA       VAL  32  11.890   8.647   1.982
  258    HB   VAL  32           HB       VAL  32  11.253   5.736   1.719
  259   1HG1  VAL  32          2HG1      VAL  32   9.954   8.199   0.684
  260   2HG1  VAL  32          3HG1      VAL  32   9.707   6.661  -0.091
  261   3HG1  VAL  32          1HG1      VAL  32   9.384   6.818   1.637
  262   1HG2  VAL  32          2HG2      VAL  32  12.932   7.420  -0.195
  263   2HG2  VAL  32          3HG2      VAL  32  13.180   5.773   0.333
  264   3HG2  VAL  32          1HG2      VAL  32  11.793   6.198  -0.744
  265    HA   PRO  33           HA       PRO  33  11.387   7.708   6.390
  266   1HB   PRO  33           HB1      PRO  33  11.154  10.200   7.405
  267   2HB   PRO  33           HB2      PRO  33  12.684   9.665   6.707
  268   1HG   PRO  33           HG1      PRO  33  10.384  11.203   5.373
  269   2HG   PRO  33           HG2      PRO  33  12.109  11.638   5.320
  270   1HD   PRO  33           HD2      PRO  33  10.728  10.131   3.324
  271   2HD   PRO  33           HD1      PRO  33  12.504  10.000   3.577
  272    H    VAL  34           H        VAL  34   9.701   6.636   6.923
  273    HA   VAL  34           HA       VAL  34   7.067   7.683   7.266
  274    HB   VAL  34           HB       VAL  34   5.967   7.185   5.381
  275   1HG1  VAL  34          1HG1      VAL  34   7.648   8.834   4.807
  276   2HG1  VAL  34          2HG1      VAL  34   8.598   7.583   4.002
  277   3HG1  VAL  34          3HG1      VAL  34   7.008   8.027   3.404
  278   1HG2  VAL  34          2HG2      VAL  34   7.971   4.896   4.986
  279   2HG2  VAL  34          3HG2      VAL  34   6.228   4.849   4.965
  280   3HG2  VAL  34          1HG2      VAL  34   7.163   5.597   3.606
  281    H    ILE  35           H        ILE  35   5.501   5.627   7.447
  282    HA   ILE  35           HA       ILE  35   6.880   3.121   8.099
  283    HB   ILE  35           HB       ILE  35   4.404   4.194   9.343
  284   1HG1  ILE  35          1HG1      ILE  35   7.292   4.085  10.149
  285   2HG1  ILE  35          2HG1      ILE  35   5.971   5.135  10.748
  286   1HG2  ILE  35          3HG2      ILE  35   4.109   1.858   8.787
  287   2HG2  ILE  35          1HG2      ILE  35   5.550   1.501   9.728
  288   3HG2  ILE  35          2HG2      ILE  35   4.072   2.177  10.503
  289   1HD1  ILE  35           HD1      ILE  35   5.155   3.024  11.903
  290   2HD1  ILE  35           HD2      ILE  35   6.837   2.443  11.817
  291   3HD1  ILE  35           HD3      ILE  35   6.525   3.967  12.612
  292    H    ILE  36           H        ILE  36   6.136   1.313   7.107
  293    HA   ILE  36           HA       ILE  36   3.981   1.455   5.084
  294    HB   ILE  36           HB       ILE  36   6.493  -0.119   4.787
  295   1HG1  ILE  36          1HG1      ILE  36   5.708   1.799   2.718
  296   2HG1  ILE  36          2HG1      ILE  36   6.055   2.611   4.248
  297   1HG2  ILE  36          3HG2      ILE  36   4.374  -1.300   4.137
  298   2HG2  ILE  36          1HG2      ILE  36   4.319  -0.083   2.895
  299   3HG2  ILE  36          2HG2      ILE  36   5.713  -1.195   3.019
  300   1HD1  ILE  36           HD1      ILE  36   8.132   0.895   3.945
  301   2HD1  ILE  36           HD2      ILE  36   7.988   1.612   2.301
  302   3HD1  ILE  36           HD3      ILE  36   8.139   2.661   3.661
  303    H    GLU  37           H        GLU  37   2.278   0.202   5.644
  304    HA   GLU  37           HA       GLU  37   2.586  -2.165   7.341
  305   1HB   GLU  37           HB1      GLU  37   0.734   0.200   7.961
  306   2HB   GLU  37           HB2      GLU  37   0.751  -1.380   8.805
  307   1HG   GLU  37           HG1      GLU  37   3.425  -0.495   8.845
  308   2HG   GLU  37           HG2      GLU  37   2.465   0.993   9.120
  309    H    ALA  38           H        ALA  38   0.764  -3.653   7.185
  310    HA   ALA  38           HA       ALA  38  -0.752  -3.334   4.684
  311   1HB   ALA  38           HB3      ALA  38   1.300  -5.492   5.325
  312   2HB   ALA  38           HB1      ALA  38  -0.192  -5.926   4.480
  313   3HB   ALA  38           HB2      ALA  38   0.936  -4.702   3.786
  314    H    PHE  39           H        PHE  39  -2.818  -3.807   4.964
  315    HA   PHE  39           HA       PHE  39  -3.665  -4.895   7.599
  316    HB   PHE  39           HB1      PHE  39  -5.365  -2.767   6.243
  317   2HB   PHE  39           HB2      PHE  39  -5.322  -3.486   7.864
  318    HD1  PHE  39           HD2      PHE  39  -2.102  -2.511   6.267
  319    HD2  PHE  39           HD1      PHE  39  -5.334  -1.442   8.872
  320    HE1  PHE  39           HE2      PHE  39  -0.785  -0.647   7.199
  321    HE2  PHE  39           HE1      PHE  39  -4.379   0.870   9.071
  322    HZ   PHE  39           HZ       PHE  39  -1.851   1.008   8.749
  323    HA   PRO  40           HA       PRO  40  -6.635  -7.164   4.851
  324   1HB   PRO  40           HB1      PRO  40  -8.595  -7.837   6.658
  325   2HB   PRO  40           HB2      PRO  40  -6.976  -8.606   6.491
  326   1HG   PRO  40           HG1      PRO  40  -7.814  -7.026   8.835
  327   2HG   PRO  40           HG2      PRO  40  -6.233  -7.741   8.491
  328   1HD   PRO  40           HD2      PRO  40  -7.177  -4.883   7.738
  329   2HD   PRO  40           HD1      PRO  40  -5.622  -5.429   8.388
  330    H    GLU  41           H        GLU  41  -6.864  -4.594   4.380
  331    HA   GLU  41           HA       GLU  41  -8.004  -2.744   3.945
  332   1HB   GLU  41           HB1      GLU  41  -9.587  -2.824   2.325
  333   2HB   GLU  41           HB2      GLU  41  -8.766  -4.398   2.166
  334   1HG   GLU  41           HG1      GLU  41 -10.661  -5.604   3.060
  335   2HG   GLU  41           HG2      GLU  41 -11.317  -4.184   3.838
  336    H    THR  42           H        THR  42 -10.298  -4.857   5.789
  337    HA   THR  42           HA       THR  42 -12.020  -3.713   7.150
  338    HB   THR  42           HB       THR  42 -11.403  -5.416   8.412
  339    HG1  THR  42           HG1      THR  42 -10.435  -4.663  10.479
  340   1HG2  THR  42          3HG2      THR  42  -9.062  -5.166   7.174
  341   2HG2  THR  42          1HG2      THR  42  -8.638  -5.098   8.904
  342   3HG2  THR  42          2HG2      THR  42  -9.560  -6.487   8.277
  343    H    LEU  43           H        LEU  43  -8.625  -2.509   7.560
  344    HA   LEU  43           HA       LEU  43  -9.404  -0.127   9.167
  345   1HB   LEU  43           HB1      LEU  43  -7.076  -2.099   9.064
  346   2HB   LEU  43           HB2      LEU  43  -6.732  -0.397   9.495
  347    HG   LEU  43           HG       LEU  43  -7.191  -0.538  11.578
  348   1HD1  LEU  43          3HD1      LEU  43  -9.507  -0.727  11.363
  349   2HD1  LEU  43          1HD1      LEU  43  -9.377  -2.525  11.573
  350   3HD1  LEU  43          2HD1      LEU  43  -8.859  -1.376  12.835
  351   1HD2  LEU  43          3HD2      LEU  43  -5.726  -2.685  10.710
  352   2HD2  LEU  43          1HD2      LEU  43  -6.099  -2.264  12.390
  353   3HD2  LEU  43          2HD2      LEU  43  -7.025  -3.560  11.563
  354    H    ALA  44           H        ALA  44  -8.981  -1.010   6.117
  355    HA   ALA  44           HA       ALA  44  -6.980   0.714   5.320
  356   1HB   ALA  44           HB2      ALA  44  -9.122  -0.945   3.971
  357   2HB   ALA  44           HB3      ALA  44  -8.704   0.453   3.011
  358   3HB   ALA  44           HB1      ALA  44  -7.459  -0.754   3.430
  359    H    GLY  45           H        GLY  45 -10.602   0.889   5.297
  360   1HA   GLY  45           HA1      GLY  45 -11.093   3.306   4.169
  361   2HA   GLY  45           HA2      GLY  45 -12.047   2.663   5.564
  362    H    GLU  46           H        GLU  46 -10.067   2.709   7.550
  363    HA   GLU  46           HA       GLU  46 -10.541   5.417   8.348
  364   1HB   GLU  46           HB1      GLU  46 -10.156   2.834   9.753
  365   2HB   GLU  46           HB2      GLU  46  -9.522   4.284  10.585
  366   1HG   GLU  46           HG1      GLU  46 -11.780   5.335  10.221
  367   2HG   GLU  46           HG2      GLU  46 -12.385   3.746   9.692
  368    H    LYS  47           H        LYS  47  -7.804   3.126   7.781
  369    HA   LYS  47           HA       LYS  47  -5.920   4.969   9.004
  370   1HB   LYS  47           HB1      LYS  47  -5.268   2.218   7.896
  371   2HB   LYS  47           HB2      LYS  47  -4.386   3.102   9.144
  372   1HG   LYS  47           HG1      LYS  47  -6.937   1.486   9.276
  373   2HG   LYS  47           HG2      LYS  47  -5.571   1.439  10.401
  374   1HD   LYS  47           HD1      LYS  47  -7.724   3.544  10.511
  375   2HD   LYS  47           HD2      LYS  47  -7.589   2.060  11.470
  376   1HE   LYS  47           HE1      LYS  47  -5.037   3.056  11.685
  377   2HE   LYS  47           HE2      LYS  47  -5.994   4.533  11.719
  378   1HZ   LYS  47           HZ1      LYS  47  -7.425   3.394  13.395
  379   2HZ   LYS  47           HZ2      LYS  47  -6.261   2.109  13.404
  380   3HZ   LYS  47           HZ3      LYS  47  -5.796   3.673  13.927
  381    H    GLY  48           H        GLY  48  -6.286   2.913   6.039
  382   1HA   GLY  48           HA1      GLY  48  -4.736   4.104   4.193
  383   2HA   GLY  48           HA2      GLY  48  -6.411   3.668   3.876
  384    H    GLN  49           H        GLN  49  -7.873   5.570   5.356
  385    HA   GLN  49           HA       GLN  49  -7.698   8.172   4.571
  386   1HB   GLN  49           HB1      GLN  49  -9.372   7.164   6.175
  387   2HB   GLN  49           HB2      GLN  49  -8.147   7.177   7.452
  388   1HG   GLN  49           HG1      GLN  49  -7.898   9.680   6.968
  389   2HG   GLN  49           HG2      GLN  49  -9.461   9.546   6.151
  390   1HE2  GLN  49          1HE2      GLN  49 -10.709   8.218   9.571
  391   2HE2  GLN  49          2HE2      GLN  49 -10.622   7.502   7.986
  392    H    ASN  50           H        ASN  50  -6.289   7.229   7.827
  393    HA   ASN  50           HA       ASN  50  -4.661   9.258   8.388
  394   1HB   ASN  50           HB1      ASN  50  -4.629   6.367   9.024
  395   2HB   ASN  50           HB2      ASN  50  -3.025   7.125   9.118
  396   1HD2  ASN  50          1HD2      ASN  50  -5.696   8.797  11.723
  397   2HD2  ASN  50          2HD2      ASN  50  -6.212   8.682  10.012
  398    H    ALA  51           H        ALA  51  -4.182   6.945   5.761
  399    HA   ALA  51           HA       ALA  51  -1.512   6.698   5.487
  400   1HB   ALA  51           HB2      ALA  51  -3.861   6.398   3.745
  401   2HB   ALA  51           HB3      ALA  51  -2.454   6.890   2.806
  402   3HB   ALA  51           HB1      ALA  51  -2.417   5.402   3.788
  403    H    ASP  52           H        ASP  52  -0.019   7.785   3.834
  404    HA   ASP  52           HA       ASP  52  -0.818  10.463   2.852
  405   1HB   ASP  52           HB1      ASP  52   1.510  10.137   3.822
  406   2HB   ASP  52           HB2      ASP  52   1.830   8.933   2.556
  407    H    VAL  53           H        VAL  53  -0.490   7.077   2.123
  408    HA   VAL  53           HA       VAL  53  -1.839   7.378  -0.359
  409    HB   VAL  53           HB       VAL  53   0.168   8.069  -1.215
  410   1HG1  VAL  53          1HG1      VAL  53   1.518   6.146   0.431
  411   2HG1  VAL  53          2HG1      VAL  53   2.289   6.638  -1.102
  412   3HG1  VAL  53          3HG1      VAL  53   1.863   7.838   0.090
  413   1HG2  VAL  53          3HG2      VAL  53  -1.142   5.874  -2.300
  414   2HG2  VAL  53          1HG2      VAL  53   0.267   6.655  -3.064
  415   3HG2  VAL  53          2HG2      VAL  53   0.467   5.159  -2.196
  416    H    VAL  54           H        VAL  54  -2.890   5.386  -0.932
  417    HA   VAL  54           HA       VAL  54  -2.772   3.263   1.074
  418    HB   VAL  54           HB       VAL  54  -4.972   4.413  -0.465
  419   1HG1  VAL  54          1HG1      VAL  54  -4.721   1.679   0.030
  420   2HG1  VAL  54          2HG1      VAL  54  -6.171   2.332   0.884
  421   3HG1  VAL  54          3HG1      VAL  54  -6.041   2.468  -0.847
  422   1HG2  VAL  54          1HG2      VAL  54  -4.163   3.934   2.377
  423   2HG2  VAL  54          2HG2      VAL  54  -4.964   5.374   1.771
  424   3HG2  VAL  54          3HG2      VAL  54  -5.916   3.952   2.077
  425    H    LEU  55           H        LEU  55  -2.207   1.213   0.362
  426    HA   LEU  55           HA       LEU  55  -2.502   0.471  -2.470
  427   1HB   LEU  55           HB1      LEU  55  -0.567  -0.403  -0.183
  428   2HB   LEU  55           HB2      LEU  55  -0.587  -1.210  -1.782
  429    HG   LEU  55           HG       LEU  55   0.832   1.111  -0.821
  430   1HD1  LEU  55          3HD1      LEU  55   1.427  -1.142  -2.468
  431   2HD1  LEU  55          1HD1      LEU  55   2.121   0.425  -3.038
  432   3HD1  LEU  55          2HD1      LEU  55   2.420  -0.226  -1.416
  433   1HD2  LEU  55          2HD2      LEU  55  -0.746   1.474  -3.395
  434   2HD2  LEU  55          3HD2      LEU  55  -0.500   2.626  -2.097
  435   3HD2  LEU  55          1HD2      LEU  55   0.877   2.192  -3.133
  436    H    LEU  56           H        LEU  56  -3.765  -1.420  -2.822
  437    HA   LEU  56           HA       LEU  56  -4.848  -2.842  -0.504
  438   1HB   LEU  56           HB1      LEU  56  -6.493  -1.129  -1.650
  439   2HB   LEU  56           HB2      LEU  56  -6.218  -2.086  -3.164
  440    HG   LEU  56           HG       LEU  56  -8.336  -2.494  -2.232
  441   1HD1  LEU  56          1HD1      LEU  56  -6.907  -4.215  -3.303
  442   2HD1  LEU  56          2HD1      LEU  56  -6.981  -5.078  -1.792
  443   3HD1  LEU  56          3HD1      LEU  56  -8.489  -4.641  -2.614
  444   1HD2  LEU  56          3HD2      LEU  56  -7.434  -2.017   0.284
  445   2HD2  LEU  56          1HD2      LEU  56  -8.824  -2.972  -0.022
  446   3HD2  LEU  56          2HD2      LEU  56  -7.234  -3.788   0.239
  447    H    GLY  57           H        GLY  57  -5.056  -5.219  -0.932
  448   1HA   GLY  57           HA1      GLY  57  -3.057  -6.224  -2.486
  449   2HA   GLY  57           HA2      GLY  57  -4.412  -7.192  -1.809
  450    HA   PRO  58           HA       PRO  58  -4.902  -7.229  -6.405
  451   1HB   PRO  58           HB1      PRO  58  -3.001  -8.752  -7.462
  452   2HB   PRO  58           HB2      PRO  58  -2.699  -7.035  -7.052
  453   1HG   PRO  58           HG1      PRO  58  -2.006  -9.545  -5.376
  454   2HG   PRO  58           HG2      PRO  58  -0.954  -8.190  -5.814
  455   1HD   PRO  58           HD2      PRO  58  -2.351  -8.167  -3.389
  456   2HD   PRO  58           HD1      PRO  58  -1.955  -6.698  -4.274
  457    H    GLN  59           H        GLN  59  -5.034  -9.431  -3.927
  458    HA   GLN  59           HA       GLN  59  -6.634 -11.350  -5.414
  459   1HB   GLN  59           HB1      GLN  59  -6.230 -10.976  -2.419
  460   2HB   GLN  59           HB2      GLN  59  -6.616 -12.503  -3.248
  461   1HG   GLN  59           HG1      GLN  59  -4.324 -12.405  -4.291
  462   2HG   GLN  59           HG2      GLN  59  -4.004 -11.004  -3.234
  463   1HE2  GLN  59          1HE2      GLN  59  -2.826 -13.262  -0.810
  464   2HE2  GLN  59          2HE2      GLN  59  -2.404 -11.883  -1.835
  465    H    ILE  60           H        ILE  60  -6.715  -8.345  -3.573
  466    HA   ILE  60           HA       ILE  60  -9.561  -8.590  -2.824
  467    HB   ILE  60           HB       ILE  60  -8.482  -8.580  -0.808
  468   1HG1  ILE  60          1HG1      ILE  60  -8.806  -5.712  -0.561
  469   2HG1  ILE  60          2HG1      ILE  60 -10.066  -6.360  -1.616
  470   1HG2  ILE  60          2HG2      ILE  60  -6.289  -7.258  -1.985
  471   2HG2  ILE  60          3HG2      ILE  60  -6.760  -6.470  -0.478
  472   3HG2  ILE  60          1HG2      ILE  60  -6.528  -8.196  -0.465
  473   1HD1  ILE  60           HD3      ILE  60 -10.651  -7.990   0.165
  474   2HD1  ILE  60           HD1      ILE  60  -9.415  -7.147   1.156
  475   3HD1  ILE  60           HD2      ILE  60 -10.938  -6.364   0.673
  476    H    ALA  61           H        ALA  61  -8.377  -7.716  -5.419
  477    HA   ALA  61           HA       ALA  61  -7.588  -5.019  -5.488
  478   1HB   ALA  61           HB3      ALA  61  -8.427  -7.060  -7.552
  479   2HB   ALA  61           HB1      ALA  61  -7.882  -5.458  -8.052
  480   3HB   ALA  61           HB2      ALA  61  -6.791  -6.506  -7.175
  481    H    TYR  62           H        TYR  62 -10.746  -6.344  -5.307
  482    HA   TYR  62           HA       TYR  62 -12.092  -4.979  -7.394
  483   1HB   TYR  62           HB1      TYR  62 -14.032  -6.222  -6.638
  484   2HB   TYR  62           HB2      TYR  62 -12.617  -7.298  -6.609
  485    HD1  TYR  62           HD1      TYR  62 -11.496  -7.792  -4.358
  486    HD2  TYR  62           HD2      TYR  62 -15.152  -5.526  -4.689
  487    HE1  TYR  62           HE1      TYR  62 -12.020  -8.139  -1.913
  488    HE2  TYR  62           HE2      TYR  62 -16.071  -6.734  -2.644
  489    HH   TYR  62           HH       TYR  62 -15.492  -7.867  -0.832
  490    H    MET  63           H        MET  63 -11.240  -4.496  -4.086
  491    HA   MET  63           HA       MET  63 -13.576  -3.110  -3.024
  492   1HB   MET  63           HB1      MET  63 -11.147  -4.461  -2.081
  493   2HB   MET  63           HB2      MET  63 -11.729  -3.107  -1.084
  494   1HG   MET  63           HG1      MET  63 -13.727  -5.041  -2.100
  495   2HG   MET  63           HG2      MET  63 -12.678  -5.621  -0.785
  496   1HE   MET  63           HE1      MET  63 -15.360  -3.643  -2.081
  497   2HE   MET  63           HE2      MET  63 -16.286  -4.698  -1.007
  498   3HE   MET  63           HE3      MET  63 -16.279  -2.931  -0.756
  499    H    LEU  64           H        LEU  64 -10.711  -2.209  -4.750
  500    HA   LEU  64           HA       LEU  64  -9.736   0.082  -3.859
  501   1HB   LEU  64           HB1      LEU  64 -10.651  -1.083  -6.522
  502   2HB   LEU  64           HB2      LEU  64 -10.575   0.698  -6.595
  503    HG   LEU  64           HG       LEU  64  -8.286  -1.182  -6.090
  504   1HD1  LEU  64          2HD1      LEU  64  -9.314  -0.190  -8.606
  505   2HD1  LEU  64          3HD1      LEU  64  -7.606  -0.071  -8.311
  506   3HD1  LEU  64          1HD1      LEU  64  -8.465  -1.630  -8.106
  507   1HD2  LEU  64          3HD2      LEU  64  -8.541   1.723  -5.588
  508   2HD2  LEU  64          1HD2      LEU  64  -7.216   0.615  -5.216
  509   3HD2  LEU  64          2HD2      LEU  64  -7.330   1.342  -6.801
  510    HA   PRO  65           HA       PRO  65 -13.494   2.470  -5.718
  511   1HB   PRO  65           HB1      PRO  65 -15.788   0.561  -5.404
  512   2HB   PRO  65           HB2      PRO  65 -15.424   1.645  -6.748
  513   1HG   PRO  65           HG1      PRO  65 -14.826  -0.950  -7.089
  514   2HG   PRO  65           HG2      PRO  65 -13.594   0.219  -7.554
  515   1HD   PRO  65           HD2      PRO  65 -13.896  -1.168  -4.790
  516   2HD   PRO  65           HD1      PRO  65 -12.478  -1.261  -5.843
  517    H    GLU  66           H        GLU  66 -14.236   0.529  -2.956
  518    HA   GLU  66           HA       GLU  66 -15.817   2.658  -1.655
  519   1HB   GLU  66           HB1      GLU  66 -15.320  -0.229  -0.875
  520   2HB   GLU  66           HB2      GLU  66 -16.304   0.915   0.062
  521   1HG   GLU  66           HG1      GLU  66 -17.570   1.228  -2.218
  522   2HG   GLU  66           HG2      GLU  66 -16.904  -0.404  -2.524
  523    H    ILE  67           H        ILE  67 -12.601   1.429  -1.882
  524    HA   ILE  67           HA       ILE  67 -11.507   2.478   0.481
  525    HB   ILE  67           HB       ILE  67 -10.106   2.231  -2.080
  526   1HG1  ILE  67          1HG1      ILE  67 -11.611   0.225  -0.814
  527   2HG1  ILE  67          2HG1      ILE  67 -10.217  -0.086  -1.865
  528   1HG2  ILE  67          1HG2      ILE  67  -9.169   2.638   0.646
  529   2HG2  ILE  67          2HG2      ILE  67  -8.253   1.539  -0.419
  530   3HG2  ILE  67          3HG2      ILE  67  -8.482   3.189  -0.884
  531   1HD1  ILE  67           HD2      ILE  67 -10.066   0.191   1.172
  532   2HD1  ILE  67           HD3      ILE  67 -10.279  -1.305   0.309
  533   3HD1  ILE  67           HD1      ILE  67  -8.821  -0.325   0.007
  534    H    GLN  68           H        GLN  68 -12.904   3.642  -2.440
  535    HA   GLN  68           HA       GLN  68 -11.672   6.360  -2.376
  536   1HB   GLN  68           HB1      GLN  68 -12.547   4.719  -4.785
  537   2HB   GLN  68           HB2      GLN  68 -11.572   6.206  -4.789
  538   1HG   GLN  68           HG1      GLN  68 -10.281   4.280  -3.143
  539   2HG   GLN  68           HG2      GLN  68 -10.729   3.468  -4.609
  540   1HE2  GLN  68          1HE2      GLN  68  -8.228   6.690  -4.932
  541   2HE2  GLN  68          2HE2      GLN  68  -8.846   6.256  -3.334
  542    H    ARG  69           H        ARG  69 -14.576   4.541  -1.922
  543    HA   ARG  69           HA       ARG  69 -16.214   6.901  -2.287
  544   1HB   ARG  69           HB1      ARG  69 -16.746   4.248  -0.886
  545   2HB   ARG  69           HB2      ARG  69 -17.937   5.596  -0.963
  546   1HG   ARG  69           HG1      ARG  69 -17.028   3.669  -3.161
  547   2HG   ARG  69           HG2      ARG  69 -18.678   4.189  -2.671
  548   1HD   ARG  69           HD1      ARG  69 -18.598   5.502  -4.526
  549   2HD   ARG  69           HD2      ARG  69 -17.447   6.535  -3.667
  550    HE   ARG  69           HE       ARG  69 -15.951   4.400  -4.677
  551   1HH1  ARG  69          2HH1      ARG  69 -17.596   7.100  -5.848
  552   2HH1  ARG  69          1HH1      ARG  69 -16.978   6.805  -7.607
  553   1HH2  ARG  69          2HH2      ARG  69 -14.989   4.396  -6.575
  554   2HH2  ARG  69          1HH2      ARG  69 -15.640   5.540  -7.945
  555    H    LEU  70           H        LEU  70 -14.750   4.865   0.266
  556    HA   LEU  70           HA       LEU  70 -15.117   6.501   2.479
  557   1HB   LEU  70           HB1      LEU  70 -13.775   4.036   1.697
  558   2HB   LEU  70           HB2      LEU  70 -12.473   5.003   2.364
  559    HG   LEU  70           HG       LEU  70 -12.997   4.666   4.406
  560   1HD1  LEU  70          2HD1      LEU  70 -14.713   6.262   4.691
  561   2HD1  LEU  70          3HD1      LEU  70 -15.887   5.230   3.969
  562   3HD1  LEU  70          1HD1      LEU  70 -15.105   4.738   5.482
  563   1HD2  LEU  70          3HD2      LEU  70 -13.424   2.366   3.093
  564   2HD2  LEU  70          1HD2      LEU  70 -13.872   2.479   4.785
  565   3HD2  LEU  70          2HD2      LEU  70 -15.115   2.646   3.498
  566    H    LEU  71           H        LEU  71 -11.703   6.198   1.122
  567    HA   LEU  71           HA       LEU  71 -11.339   9.053   1.403
  568   1HB   LEU  71           HB1      LEU  71  -9.451   6.675   0.637
  569   2HB   LEU  71           HB2      LEU  71  -8.901   8.280   1.222
  570    HG   LEU  71           HG       LEU  71  -8.913   7.607   3.268
  571   1HD1  LEU  71          1HD1      LEU  71 -11.432   7.896   3.206
  572   2HD1  LEU  71          2HD1      LEU  71 -11.463   6.168   3.572
  573   3HD1  LEU  71          3HD1      LEU  71 -10.583   7.228   4.611
  574   1HD2  LEU  71          3HD2      LEU  71  -8.068   5.475   2.050
  575   2HD2  LEU  71          1HD2      LEU  71  -8.670   5.242   3.672
  576   3HD2  LEU  71          2HD2      LEU  71  -9.682   4.849   2.245
  577    HA   PRO  72           HA       PRO  72 -11.452   9.252  -3.116
  578   1HB   PRO  72           HB1      PRO  72 -13.324  11.160  -3.508
  579   2HB   PRO  72           HB2      PRO  72 -13.807   9.490  -3.061
  580   1HG   PRO  72           HG1      PRO  72 -13.359  11.905  -1.256
  581   2HG   PRO  72           HG2      PRO  72 -14.814  10.873  -1.286
  582   1HD   PRO  72           HD2      PRO  72 -12.708  10.369   0.517
  583   2HD   PRO  72           HD1      PRO  72 -13.745   9.070  -0.156
  584    H    ASN  73           H        ASN  73 -10.181  11.067  -0.769
  585    HA   ASN  73           HA       ASN  73  -9.477  13.403  -2.492
  586   1HB   ASN  73           HB1      ASN  73 -10.959  13.703  -0.341
  587   2HB   ASN  73           HB2      ASN  73  -9.423  13.542   0.518
  588   1HD2  ASN  73          1HD2      ASN  73  -8.648  16.933  -0.100
  589   2HD2  ASN  73          2HD2      ASN  73  -8.165  15.422   0.757
  590    H    LYS  74           H        LYS  74  -8.289  10.634  -0.695
  591    HA   LYS  74           HA       LYS  74  -5.540  11.586  -0.789
  592   1HB   LYS  74           HB1      LYS  74  -6.577   9.116   0.583
  593   2HB   LYS  74           HB2      LYS  74  -4.950   9.843   0.716
  594   1HG   LYS  74           HG1      LYS  74  -6.879  11.887   1.257
  595   2HG   LYS  74           HG2      LYS  74  -7.454  10.457   2.115
  596   1HD   LYS  74           HD1      LYS  74  -4.800  10.397   2.889
  597   2HD   LYS  74           HD2      LYS  74  -5.063  12.164   2.690
  598   1HE   LYS  74           HE1      LYS  74  -6.987  10.315   4.214
  599   2HE   LYS  74           HE2      LYS  74  -5.670  11.247   4.990
  600   1HZ   LYS  74           HZ1      LYS  74  -6.594  13.238   3.983
  601   2HZ   LYS  74           HZ2      LYS  74  -7.955  12.321   3.465
  602   3HZ   LYS  74           HZ3      LYS  74  -7.662  12.484   5.120
  603    HA   PRO  75           HA       PRO  75  -4.770   8.293  -3.801
  604   1HB   PRO  75           HB1      PRO  75  -2.120   7.550  -3.180
  605   2HB   PRO  75           HB2      PRO  75  -2.594   8.950  -4.140
  606   1HG   PRO  75           HG1      PRO  75  -1.481   8.951  -1.409
  607   2HG   PRO  75           HG2      PRO  75  -1.850  10.384  -2.404
  608   1HD   PRO  75           HD2      PRO  75  -3.531   9.015  -0.236
  609   2HD   PRO  75           HD1      PRO  75  -3.636  10.685  -0.831
  610    H    VAL  76           H        VAL  76  -4.252   6.222  -4.448
  611    HA   VAL  76           HA       VAL  76  -4.528   4.112  -2.580
  612    HB   VAL  76           HB       VAL  76  -7.007   5.156  -3.948
  613   1HG1  VAL  76          2HG1      VAL  76  -6.495   2.313  -3.329
  614   2HG1  VAL  76          3HG1      VAL  76  -8.053   2.948  -2.864
  615   3HG1  VAL  76          1HG1      VAL  76  -7.488   3.143  -4.538
  616   1HG2  VAL  76          3HG2      VAL  76  -6.328   5.818  -1.489
  617   2HG2  VAL  76          1HG2      VAL  76  -7.950   5.239  -1.847
  618   3HG2  VAL  76          2HG2      VAL  76  -6.783   4.166  -1.062
  619    H    GLU  77           H        GLU  77  -3.788   2.226  -3.572
  620    HA   GLU  77           HA       GLU  77  -3.809   1.834  -6.411
  621   1HB   GLU  77           HB1      GLU  77  -1.796   3.500  -5.766
  622   2HB   GLU  77           HB2      GLU  77  -0.982   1.978  -5.281
  623   1HG   GLU  77           HG1      GLU  77  -0.428   1.633  -7.430
  624   2HG   GLU  77           HG2      GLU  77  -2.145   1.469  -7.826
  625    H    VAL  78           H        VAL  78  -4.469  -0.266  -6.331
  626    HA   VAL  78           HA       VAL  78  -3.913  -2.317  -4.627
  627    HB   VAL  78           HB       VAL  78  -4.310  -2.424  -7.608
  628   1HG1  VAL  78          3HG1      VAL  78  -3.653  -4.692  -6.326
  629   2HG1  VAL  78          1HG1      VAL  78  -5.384  -4.577  -6.037
  630   3HG1  VAL  78          2HG1      VAL  78  -4.726  -4.570  -7.686
  631   1HG2  VAL  78          1HG2      VAL  78  -6.031  -1.432  -5.586
  632   2HG2  VAL  78          2HG2      VAL  78  -6.500  -1.803  -7.282
  633   3HG2  VAL  78          3HG2      VAL  78  -6.665  -3.038  -6.026
  634    H    ILE  79           H        ILE  79  -2.262  -4.194  -5.101
  635    HA   ILE  79           HA       ILE  79   0.324  -3.407  -6.188
  636    HB   ILE  79           HB       ILE  79  -0.298  -5.905  -4.757
  637   1HG1  ILE  79          1HG1      ILE  79   0.039  -3.086  -3.722
  638   2HG1  ILE  79          2HG1      ILE  79  -0.790  -4.455  -2.983
  639   1HG2  ILE  79          1HG2      ILE  79   1.600  -5.980  -6.089
  640   2HG2  ILE  79          2HG2      ILE  79   2.383  -4.680  -5.141
  641   3HG2  ILE  79          3HG2      ILE  79   1.992  -6.230  -4.397
  642   1HD1  ILE  79           HD1      ILE  79   2.027  -4.954  -2.910
  643   2HD1  ILE  79           HD2      ILE  79   1.721  -3.415  -2.129
  644   3HD1  ILE  79           HD3      ILE  79   0.846  -4.778  -1.556
  645    H    ASP  80           H        ASP  80   1.378  -4.900  -7.693
  646    HA   ASP  80           HA       ASP  80  -0.093  -6.642  -9.446
  647   1HB   ASP  80           HB1      ASP  80   2.691  -5.607  -9.208
  648   2HB   ASP  80           HB2      ASP  80   2.633  -7.321  -9.592
  649    H    SER  81           H        SER  81   0.282  -8.999  -9.447
  650    HA   SER  81           HA       SER  81  -0.585  -9.808  -6.821
  651   1HB   SER  81           HB1      SER  81  -2.129 -10.283  -8.468
  652   2HB   SER  81           HB2      SER  81  -0.851 -10.571  -9.672
  653    HG   SER  81           HG       SER  81  -2.038 -12.544  -8.961
  654    H    LEU  82           H        LEU  82   2.196 -10.237  -8.911
  655    HA   LEU  82           HA       LEU  82   3.303 -12.670  -7.634
  656   1HB   LEU  82           HB1      LEU  82   3.249 -12.807 -10.022
  657   2HB   LEU  82           HB2      LEU  82   3.553 -11.045 -10.226
  658    HG   LEU  82           HG       LEU  82   5.737 -11.334 -10.215
  659   1HD1  LEU  82          2HD1      LEU  82   5.999 -12.516  -7.899
  660   1HD1  LEU  82          3HD1      LEU  82   6.286 -13.823  -8.964
  661   2HD1  LEU  82          1HD1      LEU  82   7.220 -12.312  -9.176
  662   1HD2  LEU  82          3HD2      LEU  82   4.555 -14.101 -10.795
  663   2HD2  LEU  82          1HD2      LEU  82   4.716 -12.773 -11.974
  664   3HD2  LEU  82          2HD2      LEU  82   6.189 -13.615 -11.364
  665    H    LEU  83           H        LEU  83   3.889  -9.133  -8.516
  666    HA   LEU  83           HA       LEU  83   6.402  -8.954  -7.340
  667   1HB   LEU  83           HB1      LEU  83   4.075  -7.121  -8.242
  668   2HB   LEU  83           HB2      LEU  83   5.362  -6.316  -7.354
  669    HG   LEU  83           HG       LEU  83   5.213  -6.462  -9.964
  670   1HD1  LEU  83          1HD1      LEU  83   7.271  -5.848  -8.094
  671   2HD1  LEU  83          2HD1      LEU  83   7.873  -6.069  -9.742
  672   3HD1  LEU  83          3HD1      LEU  83   6.567  -4.930  -9.449
  673   1HD2  LEU  83          1HD2      LEU  83   6.777  -8.933  -9.213
  674   2HD2  LEU  83          2HD2      LEU  83   5.597  -8.716 -10.526
  675   3HD2  LEU  83          3HD2      LEU  83   7.210  -8.029 -10.664
  676    H    TYR  84           H        TYR  84   2.994  -8.232  -6.220
  677    HA   TYR  84           HA       TYR  84   3.153  -7.975  -3.527
  678   1HB   TYR  84           HB1      TYR  84   1.116  -8.288  -5.097
  679   2HB   TYR  84           HB2      TYR  84   1.258 -10.005  -4.749
  680    HD1  TYR  84           HD1      TYR  84   0.766  -6.661  -3.066
  681    HD2  TYR  84           HD2      TYR  84   0.169 -10.950  -3.009
  682    HE1  TYR  84           HE1      TYR  84  -0.021  -6.542  -0.670
  683    HE2  TYR  84           HE2      TYR  84  -1.103 -10.737  -0.852
  684    HH   TYR  84           HH       TYR  84  -1.595  -9.429   0.841
  685    H    GLY  85           H        GLY  85   2.944 -11.273  -5.105
  686   1HA   GLY  85           HA1      GLY  85   3.465 -12.554  -2.600
  687   2HA   GLY  85           HA2      GLY  85   3.165 -13.290  -4.203
  688    H    LYS  86           H        LYS  86   5.610 -11.582  -5.267
  689    HA   LYS  86           HA       LYS  86   7.778 -13.197  -4.041
  690   1HB   LYS  86           HB1      LYS  86   8.602 -13.845  -5.913
  691   2HB   LYS  86           HB2      LYS  86   7.154 -13.312  -6.703
  692   1HG   LYS  86           HG1      LYS  86   8.242 -11.436  -7.718
  693   2HG   LYS  86           HG2      LYS  86   9.238 -11.125  -6.264
  694   1HD   LYS  86           HD1      LYS  86  10.396 -11.913  -8.413
  695   2HD   LYS  86           HD2      LYS  86  10.919 -12.589  -6.862
  696   1HE   LYS  86           HE1      LYS  86  10.201 -14.686  -7.329
  697   2HE   LYS  86           HE2      LYS  86   8.738 -14.170  -8.202
  698   1HZ   LYS  86           HZ1      LYS  86  10.258 -13.484 -10.033
  699   2HZ   LYS  86           HZ2      LYS  86  11.549 -14.187  -9.157
  700   3HZ   LYS  86           HZ3      LYS  86  10.280 -15.180  -9.719
  701    H    VAL  87           H        VAL  87   6.317 -10.582  -3.317
  702    HA   VAL  87           HA       VAL  87   6.853  -9.018  -1.880
  703    HB   VAL  87           HB       VAL  87   8.606 -11.337  -1.629
  704   1HG1  VAL  87          3HG1      VAL  87  10.261  -9.302  -1.458
  705   2HG1  VAL  87          1HG1      VAL  87   9.672  -9.369   0.222
  706   3HG1  VAL  87          2HG1      VAL  87  10.416 -10.770  -0.583
  707   1HG2  VAL  87          2HG2      VAL  87   6.915  -9.645   0.322
  708   2HG2  VAL  87          3HG2      VAL  87   6.614 -11.272  -0.283
  709   3HG2  VAL  87          1HG2      VAL  87   7.959 -10.978   0.837
  710    H    ASP  88           H        ASP  88   7.161  -7.534  -3.849
  711    HA   ASP  88           HA       ASP  88   9.795  -6.207  -3.776
  712   1HB   ASP  88           HB1      ASP  88   8.033  -6.743  -5.914
  713   2HB   ASP  88           HB2      ASP  88   7.887  -4.995  -5.628
  714    H    GLY  89           H        GLY  89   9.999  -4.162  -2.859
  715   1HA   GLY  89           HA1      GLY  89   7.736  -2.997  -1.363
  716   2HA   GLY  89           HA2      GLY  89   9.354  -3.330  -0.708
  717    H    LEU  90           H        LEU  90  11.081  -2.429  -2.488
  718    HA   LEU  90           HA       LEU  90  10.926   0.351  -2.821
  719   1HB   LEU  90           HB1      LEU  90  13.102  -0.979  -2.903
  720   2HB   LEU  90           HB2      LEU  90  12.455  -1.970  -4.231
  721    HG   LEU  90           HG       LEU  90  12.642  -0.029  -5.744
  722   1HD1  LEU  90          3HD1      LEU  90  13.199   1.569  -3.449
  723   2HD1  LEU  90          1HD1      LEU  90  14.508   1.621  -4.651
  724   3HD1  LEU  90          2HD1      LEU  90  12.865   2.048  -5.102
  725   1HD2  LEU  90          1HD2      LEU  90  14.509  -1.843  -5.011
  726   2HD2  LEU  90          2HD2      LEU  90  14.731  -0.637  -6.285
  727   3HD2  LEU  90          3HD2      LEU  90  15.473  -0.398  -4.712
  728    H    GLY  91           H        GLY  91  10.917  -2.194  -5.496
  729   1HA   GLY  91           HA1      GLY  91   9.703  -0.851  -7.493
  730   2HA   GLY  91           HA2      GLY  91   9.441  -2.616  -7.165
  731    H    VAL  92           H        VAL  92   8.156  -2.096  -4.520
  732    HA   VAL  92           HA       VAL  92   5.452  -1.758  -5.272
  733    HB   VAL  92           HB       VAL  92   6.876  -2.900  -3.169
  734   1HG1  VAL  92          1HG1      VAL  92   4.779  -1.050  -2.217
  735   2HG1  VAL  92          2HG1      VAL  92   5.423  -2.398  -1.236
  736   3HG1  VAL  92          3HG1      VAL  92   6.468  -1.092  -1.712
  737   1HG2  VAL  92          3HG2      VAL  92   5.247  -3.910  -4.730
  738   2HG2  VAL  92          1HG2      VAL  92   4.961  -4.297  -3.013
  739   3HG2  VAL  92          2HG2      VAL  92   3.928  -3.142  -3.915
  740    H    LEU  93           H        LEU  93   7.767  -0.044  -3.168
  741    HA   LEU  93           HA       LEU  93   6.644   2.360  -2.573
  742   1HB   LEU  93           HB1      LEU  93   9.043   1.620  -2.115
  743   2HB   LEU  93           HB2      LEU  93   9.424   1.837  -3.842
  744    HG   LEU  93           HG       LEU  93  10.467   3.586  -2.770
  745   1HD1  LEU  93          2HD1      LEU  93   8.886   4.248  -4.793
  746   2HD1  LEU  93          3HD1      LEU  93   8.316   5.308  -3.521
  747   3HD1  LEU  93          1HD1      LEU  93  10.055   5.238  -3.946
  748   1HD2  LEU  93          2HD2      LEU  93   8.084   3.544  -0.984
  749   2HD2  LEU  93          3HD2      LEU  93   9.749   3.996  -0.586
  750   3HD2  LEU  93          1HD2      LEU  93   8.699   5.156  -1.405
  751    H    LYS  94           H        LYS  94   8.384   1.552  -5.742
  752    HA   LYS  94           HA       LYS  94   8.321   3.994  -6.892
  753   1HB   LYS  94           HB1      LYS  94   9.442   1.774  -7.608
  754   2HB   LYS  94           HB2      LYS  94   7.973   1.499  -8.554
  755   1HG   LYS  94           HG1      LYS  94   9.947   2.707  -9.730
  756   2HG   LYS  94           HG2      LYS  94   8.326   3.393  -9.921
  757   1HD   LYS  94           HD1      LYS  94  10.071   4.477  -7.695
  758   2HD   LYS  94           HD2      LYS  94  10.450   4.909  -9.387
  759   1HE   LYS  94           HE1      LYS  94   7.541   5.089  -8.720
  760   2HE   LYS  94           HE2      LYS  94   8.602   6.200  -7.782
  761   1HZ   LYS  94           HZ1      LYS  94   9.569   6.881  -9.894
  762   2HZ   LYS  94           HZ2      LYS  94   8.368   5.979 -10.695
  763   3HZ   LYS  94           HZ3      LYS  94   7.918   7.287  -9.706
  764    H    ALA  95           H        ALA  95   5.906   1.348  -7.381
  765    HA   ALA  95           HA       ALA  95   4.169   2.560  -9.159
  766   1HB   ALA  95           HB2      ALA  95   4.137   0.218  -7.365
  767   2HB   ALA  95           HB3      ALA  95   2.543   0.861  -7.739
  768   3HB   ALA  95           HB1      ALA  95   3.626   0.386  -9.049
  769    H    ALA  96           H        ALA  96   4.298   2.722  -5.594
  770    HA   ALA  96           HA       ALA  96   1.895   4.013  -5.027
  771   1HB   ALA  96           HB3      ALA  96   4.636   4.039  -3.662
  772   2HB   ALA  96           HB1      ALA  96   3.306   5.022  -3.041
  773   3HB   ALA  96           HB2      ALA  96   3.145   3.272  -3.108
  774    H    VAL  97           H        VAL  97   5.186   5.476  -5.603
  775    HA   VAL  97           HA       VAL  97   4.580   8.129  -5.228
  776    HB   VAL  97           HB       VAL  97   6.681   6.612  -6.722
  777   1HG1  VAL  97          3HG1      VAL  97   6.453   9.586  -7.115
  778   2HG1  VAL  97          1HG1      VAL  97   7.962   8.693  -7.034
  779   3HG1  VAL  97          2HG1      VAL  97   6.685   8.281  -8.242
  780   1HG2  VAL  97          1HG2      VAL  97   6.464   8.322  -4.214
  781   2HG2  VAL  97          2HG2      VAL  97   7.236   6.735  -4.369
  782   3HG2  VAL  97          3HG2      VAL  97   8.059   8.134  -4.990
  783    H    ALA  98           H        ALA  98   4.046   6.009  -8.047
  784    HA   ALA  98           HA       ALA  98   3.555   8.007 -10.011
  785   1HB   ALA  98           HB2      ALA  98   3.409   5.057  -9.804
  786   2HB   ALA  98           HB3      ALA  98   2.234   5.720 -10.915
  787   3HB   ALA  98           HB1      ALA  98   3.975   6.077 -11.125
  788    H    ALA  99           H        ALA  99   1.505   6.134  -7.726
  789    HA   ALA  99           HA       ALA  99  -1.054   6.971  -8.349
  790   1HB   ALA  99           HB1      ALA  99  -0.493   5.307  -6.597
  791   2HB   ALA  99           HB2      ALA  99   0.115   6.605  -5.545
  792   3HB   ALA  99           HB3      ALA  99  -1.586   6.538  -5.981
  793    H    ILE 100           H        ILE 100   1.527   8.687  -6.557
  794    HA   ILE 100           HA       ILE 100   0.218  10.927  -5.586
  795    HB   ILE 100           HB       ILE 100   2.962  10.024  -5.901
  796   1HG1  ILE 100          1HG1      ILE 100   1.504   9.955  -3.752
  797   2HG1  ILE 100          2HG1      ILE 100   3.140  10.629  -3.600
  798   1HG2  ILE 100          1HG2      ILE 100   2.438  12.898  -6.107
  799   2HG2  ILE 100          2HG2      ILE 100   3.961  12.234  -5.483
  800   3HG2  ILE 100          3HG2      ILE 100   3.469  11.872  -7.119
  801   1HD1  ILE 100           HD1      ILE 100   2.098  12.863  -3.811
  802   2HD1  ILE 100           HD2      ILE 100   0.487  12.156  -3.514
  803   3HD1  ILE 100           HD3      ILE 100   1.674  11.961  -2.295
  804    H    LYS 101           H        LYS 101   2.485  10.598  -8.310
  805    HA   LYS 101           HA       LYS 101   2.427  12.674  -9.825
  806   1HB   LYS 101           HB1      LYS 101   3.331  10.422 -10.446
  807   2HB   LYS 101           HB2      LYS 101   1.743  10.023 -11.133
  808   1HG   LYS 101           HG1      LYS 101   1.930  12.129 -12.586
  809   2HG   LYS 101           HG2      LYS 101   3.577  12.343 -11.966
  810   1HD   LYS 101           HD1      LYS 101   3.941  11.320 -13.993
  811   2HD   LYS 101           HD2      LYS 101   3.996   9.932 -12.860
  812   1HE   LYS 101           HE1      LYS 101   1.240  10.485 -13.771
  813   2HE   LYS 101           HE2      LYS 101   2.340  10.100 -15.136
  814   1HZ   LYS 101           HZ1      LYS 101   3.076   8.168 -13.837
  815   2HZ   LYS 101           HZ2      LYS 101   1.841   8.492 -12.719
  816   3HZ   LYS 101           HZ3      LYS 101   1.431   8.115 -14.319
  817    H    LYS 102           H        LYS 102  -0.144  10.346 -10.951
  818    HA   LYS 102           HA       LYS 102  -1.407  12.473 -12.340
  819   1HB   LYS 102           HB1      LYS 102  -3.345  10.591 -12.518
  820   2HB   LYS 102           HB2      LYS 102  -1.903  10.655 -13.535
  821   1HG   LYS 102           HG1      LYS 102  -0.770   8.959 -12.217
  822   2HG   LYS 102           HG2      LYS 102  -1.993   9.044 -10.918
  823   1HD   LYS 102           HD1      LYS 102  -2.001   7.056 -12.656
  824   2HD   LYS 102           HD2      LYS 102  -3.530   7.772 -12.099
  825   1HE   LYS 102           HE1      LYS 102  -3.559   7.587 -14.590
  826   2HE   LYS 102           HE2      LYS 102  -3.452   9.321 -14.137
  827   1HZ   LYS 102           HZ1      LYS 102  -1.013   9.063 -14.364
  828   2HZ   LYS 102           HZ2      LYS 102  -1.282   7.512 -15.011
  829   3HZ   LYS 102           HZ3      LYS 102  -1.886   8.878 -15.838
  830    H    ALA 103           H        ALA 103  -1.925  11.210  -9.097
  831    HA   ALA 103           HA       ALA 103  -4.254  12.394  -8.255
  832   1HB   ALA 103           HB3      ALA 103  -1.564  12.015  -7.001
  833   2HB   ALA 103           HB1      ALA 103  -2.777  12.991  -6.149
  834   3HB   ALA 103           HB2      ALA 103  -3.126  11.304  -6.558
  835    H    ALA 104           H        ALA 104  -1.144  13.881  -9.129
  836    HA   ALA 104           HA       ALA 104  -1.588  16.567  -8.472
  837   1HB   ALA 104           HB2      ALA 104   0.508  15.139  -9.484
  838   2HB   ALA 104           HB3      ALA 104   0.018  16.055 -10.909
  839   3HB   ALA 104           HB1      ALA 104   0.437  16.897  -9.406
  840    H    ALA 105           H        ALA 105  -3.908  16.820  -9.075
  841    HA   ALA 105           HA       ALA 105  -5.315  18.153 -10.153
  842   1HB   ALA 105           HB3      ALA 105  -2.748  18.866 -11.539
  843   2HB   ALA 105           HB1      ALA 105  -4.270  19.524 -12.156
  844   3HB   ALA 105           HB2      ALA 105  -3.754  19.853 -10.495
  845    H    ASN 106           H        ASN 106  -6.014  18.812 -12.679
  846    HA   ASN 106           HA       ASN 106  -6.677  18.266 -14.725
  847   1HB   ASN 106           HB1      ASN 106  -4.397  16.919 -14.774
  848   2HB   ASN 106           HB2      ASN 106  -5.460  15.495 -14.647
  849   1HD2  ASN 106          1HD2      ASN 106  -5.314  17.656 -18.148
  850   2HD2  ASN 106          2HD2      ASN 106  -4.944  18.517 -16.637
   
  No H/Q in entry =         850
  Start of MODEL   13
    1    H    MET   1           H        MET   1   7.183  15.129  12.139
    2    HA   MET   1           HA       MET   1   5.473  16.809  10.600
    3   1HB   MET   1           HB1      MET   1   7.045  18.798  10.647
    4   2HB   MET   1           HB2      MET   1   6.134  18.565  12.140
    5   1HG   MET   1           HG1      MET   1   8.052  18.041  13.353
    6   2HG   MET   1           HG2      MET   1   8.750  17.176  11.969
    7   1HE   MET   1           HE2      MET   1  10.801  17.980  12.992
    8   2HE   MET   1           HE3      MET   1  11.310  18.326  11.336
    9   3HE   MET   1           HE1      MET   1  11.573  19.531  12.606
   10    H    GLU   2           H        GLU   2   6.136  16.776   8.461
   11    HA   GLU   2           HA       GLU   2   7.199  16.286   6.607
   12   1HB   GLU   2           HB1      GLU   2   9.675  15.574   8.273
   13   2HB   GLU   2           HB2      GLU   2   9.589  15.912   6.512
   14   1HG   GLU   2           HG1      GLU   2   8.625  18.234   7.223
   15   2HG   GLU   2           HG2      GLU   2   9.274  17.872   8.849
   16    H    LYS   3           H        LYS   3   6.004  14.208   8.726
   17    HA   LYS   3           HA       LYS   3   7.287  11.739   7.696
   18   1HB   LYS   3           HB1      LYS   3   5.340  11.817  10.008
   19   2HB   LYS   3           HB2      LYS   3   6.527  10.559   9.590
   20   1HG   LYS   3           HG1      LYS   3   8.206  12.714   9.808
   21   2HG   LYS   3           HG2      LYS   3   6.960  13.124  11.000
   22   1HD   LYS   3           HD1      LYS   3   8.508  11.921  12.323
   23   2HD   LYS   3           HD2      LYS   3   7.282  10.701  11.918
   24   1HE   LYS   3           HE1      LYS   3  10.074  10.511  11.362
   25   2HE   LYS   3           HE2      LYS   3   8.796   9.402  10.765
   26   1HZ   LYS   3           HZ1      LYS   3   8.525  10.958   8.912
   27   2HZ   LYS   3           HZ2      LYS   3   9.899  11.814   9.456
   28   3HZ   LYS   3           HZ3      LYS   3  10.037  10.191   8.948
   29    H    LYS   4           H        LYS   4   6.256  10.163   6.605
   30    HA   LYS   4           HA       LYS   4   3.458  10.625   5.778
   31   1HB   LYS   4           HB1      LYS   4   5.972  10.365   4.190
   32   2HB   LYS   4           HB2      LYS   4   4.522   9.560   3.545
   33   1HG   LYS   4           HG1      LYS   4   3.437  11.981   4.171
   34   2HG   LYS   4           HG2      LYS   4   5.137  12.484   3.955
   35   1HD   LYS   4           HD1      LYS   4   3.722  10.880   1.770
   36   2HD   LYS   4           HD2      LYS   4   3.523  12.647   1.904
   37   1HE   LYS   4           HE1      LYS   4   6.352  11.840   2.254
   38   2HE   LYS   4           HE2      LYS   4   5.662  11.264   0.698
   39   1HZ   LYS   4           HZ1      LYS   4   4.835  13.503   0.302
   40   2HZ   LYS   4           HZ2      LYS   4   5.640  14.033   1.713
   41   3HZ   LYS   4           HZ3      LYS   4   6.539  13.442   0.368
   42    H    HIS   5           H        HIS   5   2.532   8.594   4.611
   43    HA   HIS   5           HA       HIS   5   3.335   6.046   5.845
   44   1HB   HIS   5           HB1      HIS   5   0.544   7.245   6.057
   45   2HB   HIS   5           HB2      HIS   5   1.060   5.684   6.720
   46    HD1  HIS   5           HD1      HIS   5  -0.112   8.078   8.522
   47    HD2  HIS   5           HD2      HIS   5   3.959   7.278   7.890
   48    HE1  HIS   5           HE1      HIS   5   1.325   9.452  10.280
   49    H    ILE   6           H        ILE   6   3.564   4.694   4.217
   50    HA   ILE   6           HA       ILE   6   1.522   4.414   2.154
   51    HB   ILE   6           HB       ILE   6   4.203   3.172   2.381
   52   1HG1  ILE   6          1HG1      ILE   6   3.185   5.136   0.240
   53   2HG1  ILE   6          2HG1      ILE   6   3.926   5.696   1.767
   54   1HG2  ILE   6          3HG2      ILE   6   2.023   1.965   1.055
   55   2HG2  ILE   6          1HG2      ILE   6   3.035   2.748  -0.161
   56   3HG2  ILE   6          2HG2      ILE   6   3.710   1.590   1.030
   57   1HD1  ILE   6           HD3      ILE   6   5.552   3.838   0.142
   58   2HD1  ILE   6           HD1      ILE   6   5.080   5.405  -0.568
   59   3HD1  ILE   6           HD2      ILE   6   6.057   5.317   0.912
   60    H    TYR   7           H        TYR   7  -0.230   3.559   3.326
   61    HA   TYR   7           HA       TYR   7   0.109   0.901   4.632
   62   1HB   TYR   7           HB1      TYR   7  -2.562   2.209   4.471
   63   2HB   TYR   7           HB2      TYR   7  -1.898   0.878   5.443
   64    HD1  TYR   7           HD1      TYR   7   0.750   2.035   6.067
   65    HD2  TYR   7           HD2      TYR   7  -3.200   3.733   6.122
   66    HE1  TYR   7           HE1      TYR   7   1.448   3.514   7.986
   67    HE2  TYR   7           HE2      TYR   7  -2.656   4.930   8.280
   68    HH   TYR   7           HH       TYR   7  -1.124   5.391   9.766
   69    H    LEU   8           H        LEU   8  -1.245  -0.810   4.127
   70    HA   LEU   8           HA       LEU   8  -1.681  -1.239   1.213
   71   1HB   LEU   8           HB1      LEU   8   0.362  -2.429   3.115
   72   2HB   LEU   8           HB2      LEU   8  -0.432  -3.636   2.083
   73    HG   LEU   8           HG       LEU   8   0.521  -1.526   0.440
   74   1HD1  LEU   8          2HD1      LEU   8   2.386  -1.747   2.666
   75   2HD1  LEU   8          3HD1      LEU   8   3.034  -2.075   1.079
   76   3HD1  LEU   8          1HD1      LEU   8   2.090  -0.600   1.346
   77   1HD2  LEU   8          3HD2      LEU   8   0.281  -4.192   0.078
   78   2HD2  LEU   8          1HD2      LEU   8   1.525  -3.245  -0.756
   79   3HD2  LEU   8          2HD2      LEU   8   1.930  -4.202   0.680
   80    H    PHE   9           H        PHE   9  -3.334  -3.040   0.956
   81    HA   PHE   9           HA       PHE   9  -5.040  -3.547   3.280
   82   1HB   PHE   9           HB1      PHE   9  -5.784  -1.706   0.971
   83   2HB   PHE   9           HB2      PHE   9  -6.925  -2.345   2.173
   84    HD1  PHE   9           HD2      PHE   9  -4.510  -2.055   4.300
   85    HD2  PHE   9           HD1      PHE   9  -6.405   0.631   1.537
   86    HE1  PHE   9           HE2      PHE   9  -4.662  -0.273   6.088
   87    HE2  PHE   9           HE1      PHE   9  -6.314   2.476   3.288
   88    HZ   PHE   9           HZ       PHE   9  -4.664   2.079   5.206
   89    H    SER  10           H        SER  10  -4.979  -5.886   2.881
   90    HA   SER  10           HA       SER  10  -5.549  -7.076   0.461
   91   1HB   SER  10           HB1      SER  10  -3.441  -5.735  -0.169
   92   2HB   SER  10           HB2      SER  10  -2.546  -6.862   0.904
   93    HG   SER  10           HG       SER  10  -2.532  -7.424  -1.378
   94    H    SER  11           H        SER  11  -4.613  -9.359   0.338
   95    HA   SER  11           HA       SER  11  -3.453 -11.126   0.901
   96   1HB   SER  11           HB1      SER  11  -1.624  -9.823   1.613
   97   2HB   SER  11           HB2      SER  11  -2.447  -9.266   3.107
   98    HG   SER  11           HG       SER  11  -0.782 -10.893   3.479
   99    H    ALA  12           H        ALA  12  -5.729 -11.824   1.208
  100    HA   ALA  12           HA       ALA  12  -7.043 -12.678   3.409
  101   1HB   ALA  12           HB2      ALA  12  -7.177 -13.313   0.770
  102   2HB   ALA  12           HB3      ALA  12  -6.521 -14.812   1.399
  103   3HB   ALA  12           HB1      ALA  12  -8.048 -14.164   2.078
  104    H    GLY  13           H        GLY  13  -3.747 -13.533   2.561
  105   1HA   GLY  13           HA1      GLY  13  -2.907 -13.522   5.063
  106   2HA   GLY  13           HA2      GLY  13  -3.396 -15.231   4.881
  107    H    MET  14           H        MET  14  -1.298 -12.691   3.316
  108    HA   MET  14           HA       MET  14   0.942 -13.420   4.429
  109   1HB   MET  14           HB1      MET  14   2.316 -14.790   2.810
  110   2HB   MET  14           HB2      MET  14   1.099 -15.676   3.785
  111   1HG   MET  14           HG1      MET  14   1.486 -15.715   0.955
  112   2HG   MET  14           HG2      MET  14   0.327 -16.639   1.908
  113   1HE   MET  14           HE1      MET  14  -0.570 -16.831  -0.145
  114   2HE   MET  14           HE2      MET  14  -2.204 -16.592   0.461
  115   3HE   MET  14           HE3      MET  14  -1.700 -15.811  -1.052
  116    H    SER  15           H        SER  15   1.520 -13.567   0.898
  117    HA   SER  15           HA       SER  15   3.031 -11.554   0.424
  118   1HB   SER  15           HB1      SER  15   1.821 -13.126  -1.182
  119   2HB   SER  15           HB2      SER  15   0.485 -11.945  -1.212
  120    HG   SER  15           HG       SER  15   2.062 -11.748  -3.014
  121    H    THR  16           H        THR  16   2.873  -9.226   0.087
  122    HA   THR  16           HA       THR  16   1.938  -7.176   0.816
  123    HB   THR  16           HB       THR  16   0.605  -8.740   3.002
  124    HG1  THR  16           HG1      THR  16  -1.372  -7.915   1.975
  125   1HG2  THR  16          2HG2      THR  16   1.328  -5.982   3.002
  126   2HG2  THR  16          3HG2      THR  16  -0.414  -6.213   3.193
  127   3HG2  THR  16          1HG2      THR  16   0.766  -7.078   4.254
  128    H    SER  17           H        SER  17   2.412  -9.630   3.449
  129    HA   SER  17           HA       SER  17   2.992  -7.720   5.408
  130   1HB   SER  17           HB1      SER  17   3.926  -9.981   6.561
  131   2HB   SER  17           HB2      SER  17   2.192  -9.804   6.203
  132    HG   SER  17           HG       SER  17   3.163 -11.854   5.567
  133    H    LEU  18           H        LEU  18   5.256  -9.857   3.604
  134    HA   LEU  18           HA       LEU  18   7.594  -8.710   4.801
  135   1HB   LEU  18           HB1      LEU  18   6.780 -11.051   3.273
  136   2HB   LEU  18           HB2      LEU  18   7.948 -10.200   2.197
  137    HG   LEU  18           HG       LEU  18   9.559 -10.411   4.166
  138   1HD1  LEU  18          2HD1      LEU  18   7.452 -11.586   5.641
  139   2HD1  LEU  18          3HD1      LEU  18   8.706 -12.745   5.302
  140   3HD1  LEU  18          1HD1      LEU  18   9.119 -11.161   6.023
  141   1HD2  LEU  18          3HD2      LEU  18   9.304 -11.802   1.886
  142   2HD2  LEU  18          1HD2      LEU  18  10.349 -12.361   3.231
  143   3HD2  LEU  18          2HD2      LEU  18   8.727 -13.054   2.972
  144    H    LEU  19           H        LEU  19   5.524  -7.930   2.049
  145    HA   LEU  19           HA       LEU  19   7.517  -6.575   0.467
  146   1HB   LEU  19           HB1      LEU  19   5.793  -7.104  -0.991
  147   2HB   LEU  19           HB2      LEU  19   4.732  -7.586   0.346
  148    HG   LEU  19           HG       LEU  19   3.587  -5.576   0.385
  149   1HD1  LEU  19          1HD1      LEU  19   5.843  -4.222  -0.570
  150   2HD1  LEU  19          2HD1      LEU  19   4.386  -3.715  -1.458
  151   3HD1  LEU  19          3HD1      LEU  19   4.347  -3.667   0.292
  152   1HD2  LEU  19          3HD2      LEU  19   3.980  -6.897  -2.250
  153   2HD2  LEU  19          1HD2      LEU  19   2.499  -6.237  -1.450
  154   3HD2  LEU  19          2HD2      LEU  19   3.519  -5.204  -2.430
  155    H    VAL  20           H        VAL  20   5.034  -5.643   3.012
  156    HA   VAL  20           HA       VAL  20   5.499  -2.777   3.113
  157    HB   VAL  20           HB       VAL  20   3.810  -4.547   4.241
  158   1HG1  VAL  20          3HG1      VAL  20   5.566  -5.598   5.635
  159   2HG1  VAL  20          1HG1      VAL  20   5.694  -4.048   6.436
  160   3HG1  VAL  20          2HG1      VAL  20   4.162  -4.980   6.469
  161   1HG2  VAL  20          3HG2      VAL  20   4.669  -1.737   5.046
  162   2HG2  VAL  20          1HG2      VAL  20   3.143  -2.317   4.341
  163   3HG2  VAL  20          2HG2      VAL  20   3.527  -2.571   6.067
  164    H    SER  21           H        SER  21   6.970  -5.767   4.319
  165    HA   SER  21           HA       SER  21   8.728  -4.343   6.173
  166   1HB   SER  21           HB1      SER  21   7.669  -7.075   5.911
  167   2HB   SER  21           HB2      SER  21   9.363  -7.030   6.456
  168    HG   SER  21           HG       SER  21   7.764  -6.820   8.210
  169    H    LYS  22           H        LYS  22   8.974  -5.294   2.860
  170    HA   LYS  22           HA       LYS  22  11.918  -5.152   3.055
  171   1HB   LYS  22           HB1      LYS  22  11.395  -6.931   1.632
  172   2HB   LYS  22           HB2      LYS  22  10.140  -6.002   0.773
  173   1HG   LYS  22           HG1      LYS  22  11.870  -4.362  -0.029
  174   2HG   LYS  22           HG2      LYS  22  13.124  -5.364   0.686
  175   1HD   LYS  22           HD1      LYS  22  11.748  -5.736  -1.894
  176   2HD   LYS  22           HD2      LYS  22  13.398  -6.131  -1.380
  177   1HE   LYS  22           HE1      LYS  22  11.328  -7.924  -0.143
  178   2HE   LYS  22           HE2      LYS  22  11.418  -8.001  -1.926
  179   1HZ   LYS  22           HZ1      LYS  22  13.813  -8.251  -1.726
  180   2HZ   LYS  22           HZ2      LYS  22  13.657  -8.308  -0.008
  181   3HZ   LYS  22           HZ3      LYS  22  12.941  -9.519  -1.025
  182    H    MET  23           H        MET  23   8.980  -3.608   1.710
  183    HA   MET  23           HA       MET  23   9.893  -1.347   0.591
  184   1HB   MET  23           HB1      MET  23   7.487  -2.078   2.179
  185   2HB   MET  23           HB2      MET  23   7.671  -0.366   1.728
  186   1HG   MET  23           HG1      MET  23   8.014  -1.161  -0.620
  187   2HG   MET  23           HG2      MET  23   7.523  -2.753  -0.110
  188   1HE   MET  23           HE2      MET  23   6.467   0.846  -0.962
  189   2HE   MET  23           HE3      MET  23   4.792   0.973  -0.527
  190   3HE   MET  23           HE1      MET  23   6.030   0.934   0.769
  191    H    ARG  24           H        ARG  24   9.463  -2.272   3.983
  192    HA   ARG  24           HA       ARG  24  10.430   0.108   5.218
  193   1HB   ARG  24           HB1      ARG  24  10.168  -2.743   6.301
  194   2HB   ARG  24           HB2      ARG  24  10.666  -1.342   7.293
  195   1HG   ARG  24           HG1      ARG  24   8.502  -0.298   6.957
  196   2HG   ARG  24           HG2      ARG  24   8.073  -1.427   5.673
  197   1HD   ARG  24           HD1      ARG  24   7.506  -3.100   7.080
  198   2HD   ARG  24           HD2      ARG  24   8.725  -2.674   8.344
  199    HE   ARG  24           HE       ARG  24   6.422  -0.866   7.949
  200   1HH1  ARG  24          2HH1      ARG  24   7.802  -3.352   9.847
  201   2HH1  ARG  24          1HH1      ARG  24   6.755  -2.861  11.361
  202   1HH2  ARG  24          2HH2      ARG  24   5.135  -0.595   9.663
  203   2HH2  ARG  24          1HH2      ARG  24   5.607  -1.385  11.333
  204    H    ALA  25           H        ALA  25  11.936  -3.105   4.420
  205    HA   ALA  25           HA       ALA  25  14.526  -2.793   4.915
  206   1HB   ALA  25           HB1      ALA  25  13.256  -3.965   2.404
  207   2HB   ALA  25           HB2      ALA  25  15.001  -4.055   2.765
  208   3HB   ALA  25           HB3      ALA  25  13.825  -4.806   3.847
  209    H    GLN  26           H        GLN  26  13.307  -1.853   1.600
  210    HA   GLN  26           HA       GLN  26  14.849   0.118   0.689
  211   1HB   GLN  26           HB1      GLN  26  11.830   0.079   1.354
  212   2HB   GLN  26           HB2      GLN  26  12.559   1.395   0.352
  213   1HG   GLN  26           HG1      GLN  26  11.226  -0.719  -0.643
  214   2HG   GLN  26           HG2      GLN  26  12.517   0.054  -1.583
  215   1HE2  GLN  26          1HE2      GLN  26  14.512  -2.797  -1.704
  216   2HE2  GLN  26          2HE2      GLN  26  14.890  -1.191  -0.969
  217    H    ALA  27           H        ALA  27  12.218   0.986   3.016
  218    HA   ALA  27           HA       ALA  27  12.738   3.750   2.844
  219   1HB   ALA  27           HB3      ALA  27  10.724   2.216   3.910
  220   2HB   ALA  27           HB1      ALA  27  11.499   2.784   5.369
  221   3HB   ALA  27           HB2      ALA  27  10.873   3.946   4.208
  222    H    GLU  28           H        GLU  28  14.078   1.300   4.998
  223    HA   GLU  28           HA       GLU  28  15.380   3.239   6.771
  224   1HB   GLU  28           HB1      GLU  28  15.056   0.240   6.876
  225   2HB   GLU  28           HB2      GLU  28  15.937   1.169   8.077
  226   1HG   GLU  28           HG1      GLU  28  13.333   2.363   7.565
  227   2HG   GLU  28           HG2      GLU  28  13.189   0.666   8.124
  228    H    LYS  29           H        LYS  29  15.891   0.781   4.180
  229    HA   LYS  29           HA       LYS  29  18.622   0.534   3.976
  230   1HB   LYS  29           HB1      LYS  29  17.006  -0.659   2.631
  231   2HB   LYS  29           HB2      LYS  29  16.493   0.889   1.898
  232   1HG   LYS  29           HG1      LYS  29  18.030   0.705   0.314
  233   2HG   LYS  29           HG2      LYS  29  19.360   0.582   1.507
  234   1HD   LYS  29           HD1      LYS  29  19.511  -1.403   0.270
  235   2HD   LYS  29           HD2      LYS  29  18.616  -1.879   1.735
  236   1HE   LYS  29           HE1      LYS  29  16.501  -1.713   0.690
  237   2HE   LYS  29           HE2      LYS  29  17.071  -0.690  -0.621
  238   1HZ   LYS  29           HZ1      LYS  29  18.283  -2.632  -1.473
  239   2HZ   LYS  29           HZ2      LYS  29  17.525  -3.586  -0.314
  240   3HZ   LYS  29           HZ3      LYS  29  16.589  -2.811  -1.495
  241    H    TYR  30           H        TYR  30  16.433   3.171   3.585
  242    HA   TYR  30           HA       TYR  30  18.292   4.883   2.105
  243   1HB   TYR  30           HB1      TYR  30  15.290   4.836   2.380
  244   2HB   TYR  30           HB2      TYR  30  16.200   5.939   1.326
  245    HD1  TYR  30           HD2      TYR  30  18.217   4.397   0.115
  246    HD2  TYR  30           HD1      TYR  30  14.092   3.401   0.949
  247    HE1  TYR  30           HE2      TYR  30  18.408   2.389  -1.389
  248    HE2  TYR  30           HE1      TYR  30  14.227   1.485  -0.676
  249    HH   TYR  30           HH       TYR  30  17.360   0.614  -2.229
  250    H    GLU  31           H        GLU  31  15.517   5.455   4.363
  251    HA   GLU  31           HA       GLU  31  15.847   6.788   6.373
  252   1HB   GLU  31           HB1      GLU  31  17.942   7.928   4.646
  253   2HB   GLU  31           HB2      GLU  31  17.011   9.140   5.536
  254   1HG   GLU  31           HG1      GLU  31  17.698   8.195   7.632
  255   2HG   GLU  31           HG2      GLU  31  17.891   6.599   6.889
  256    H    VAL  32           H        VAL  32  13.954   6.528   3.874
  257    HA   VAL  32           HA       VAL  32  12.882   9.067   3.230
  258    HB   VAL  32           HB       VAL  32  11.488   6.471   2.946
  259   1HG1  VAL  32          1HG1      VAL  32  10.489   8.708   2.259
  260   2HG1  VAL  32          2HG1      VAL  32  11.490   8.520   0.811
  261   3HG1  VAL  32          3HG1      VAL  32  10.243   7.335   1.180
  262   1HG2  VAL  32          1HG2      VAL  32  14.111   7.293   1.996
  263   2HG2  VAL  32          2HG2      VAL  32  13.435   5.676   1.881
  264   3HG2  VAL  32          3HG2      VAL  32  13.103   6.825   0.630
  265    HA   PRO  33           HA       PRO  33  10.634   9.465   7.117
  266   1HB   PRO  33           HB1      PRO  33   9.665  12.070   6.713
  267   2HB   PRO  33           HB2      PRO  33  11.288  11.646   7.321
  268   1HG   PRO  33           HG1      PRO  33  10.407  12.344   4.414
  269   2HG   PRO  33           HG2      PRO  33  11.875  12.886   5.285
  270   1HD   PRO  33           HD2      PRO  33  11.965  10.744   3.494
  271   2HD   PRO  33           HD1      PRO  33  12.984  10.800   4.960
  272    H    VAL  34           H        VAL  34   9.415   7.759   6.303
  273    HA   VAL  34           HA       VAL  34   6.584   8.328   6.155
  274    HB   VAL  34           HB       VAL  34   6.573   8.519   3.980
  275   1HG1  VAL  34          1HG1      VAL  34   9.236   7.560   4.090
  276   2HG1  VAL  34          2HG1      VAL  34   8.430   7.203   2.546
  277   3HG1  VAL  34          3HG1      VAL  34   8.591   8.841   3.044
  278   1HG2  VAL  34          2HG2      VAL  34   6.610   5.501   4.404
  279   2HG2  VAL  34          3HG2      VAL  34   5.271   6.513   3.869
  280   3HG2  VAL  34          1HG2      VAL  34   6.634   6.168   2.778
  281    H    ILE  35           H        ILE  35   5.395   6.055   5.961
  282    HA   ILE  35           HA       ILE  35   6.811   3.954   7.398
  283    HB   ILE  35           HB       ILE  35   4.378   5.060   8.728
  284   1HG1  ILE  35          1HG1      ILE  35   7.303   5.820   8.961
  285   2HG1  ILE  35          2HG1      ILE  35   5.871   6.868   8.949
  286   1HG2  ILE  35          1HG2      ILE  35   5.520   2.648   8.956
  287   2HG2  ILE  35          2HG2      ILE  35   6.092   3.574  10.394
  288   3HG2  ILE  35          3HG2      ILE  35   4.374   3.387  10.064
  289   1HD1  ILE  35           HD1      ILE  35   5.315   5.863  11.204
  290   2HD1  ILE  35           HD2      ILE  35   6.963   5.315  11.352
  291   3HD1  ILE  35           HD3      ILE  35   6.667   7.008  11.147
  292    H    ILE  36           H        ILE  36   6.227   2.070   6.504
  293    HA   ILE  36           HA       ILE  36   3.968   1.839   4.664
  294    HB   ILE  36           HB       ILE  36   6.285   0.063   4.655
  295   1HG1  ILE  36          1HG1      ILE  36   5.975   2.129   2.522
  296   2HG1  ILE  36          2HG1      ILE  36   6.423   2.810   4.112
  297   1HG2  ILE  36          2HG2      ILE  36   4.112  -0.617   3.586
  298   2HG2  ILE  36          3HG2      ILE  36   4.576   0.522   2.338
  299   3HG2  ILE  36          1HG2      ILE  36   5.671  -0.802   2.754
  300   1HD1  ILE  36           HD1      ILE  36   8.091   0.587   3.467
  301   2HD1  ILE  36           HD2      ILE  36   8.232   1.711   2.142
  302   3HD1  ILE  36           HD3      ILE  36   8.599   2.292   3.740
  303    H    GLU  37           H        GLU  37   2.192   0.783   5.492
  304    HA   GLU  37           HA       GLU  37   2.562  -1.429   7.378
  305   1HB   GLU  37           HB1      GLU  37   1.124   1.227   7.947
  306   2HB   GLU  37           HB2      GLU  37   0.711  -0.246   8.878
  307   1HG   GLU  37           HG1      GLU  37   3.623   0.384   8.572
  308   2HG   GLU  37           HG2      GLU  37   2.697   1.561   9.462
  309    H    ALA  38           H        ALA  38   0.995  -3.049   7.094
  310    HA   ALA  38           HA       ALA  38  -0.664  -2.706   4.692
  311   1HB   ALA  38           HB3      ALA  38   1.808  -3.647   4.536
  312   2HB   ALA  38           HB1      ALA  38   1.000  -5.149   5.050
  313   3HB   ALA  38           HB2      ALA  38   0.504  -4.380   3.547
  314    H    PHE  39           H        PHE  39  -2.554  -4.068   4.683
  315    HA   PHE  39           HA       PHE  39  -3.317  -5.378   7.188
  316   1HB   PHE  39           HB1      PHE  39  -4.829  -2.843   6.299
  317   2HB   PHE  39           HB2      PHE  39  -4.977  -3.745   7.806
  318    HD1  PHE  39           HD2      PHE  39  -1.777  -3.767   8.243
  319    HD2  PHE  39           HD1      PHE  39  -4.912  -0.915   7.799
  320    HE1  PHE  39           HE2      PHE  39  -0.159  -1.905   8.789
  321    HE2  PHE  39           HE1      PHE  39  -3.332   0.971   8.286
  322    HZ   PHE  39           HZ       PHE  39  -1.110   0.314   9.374
  323    HA   PRO  40           HA       PRO  40  -6.698  -6.452   4.242
  324   1HB   PRO  40           HB1      PRO  40  -8.438  -7.666   5.919
  325   2HB   PRO  40           HB2      PRO  40  -6.849  -8.325   5.541
  326   1HG   PRO  40           HG1      PRO  40  -7.746  -7.085   8.132
  327   2HG   PRO  40           HG2      PRO  40  -6.302  -8.104   7.826
  328   1HD   PRO  40           HD2      PRO  40  -6.466  -5.084   7.825
  329   2HD   PRO  40           HD1      PRO  40  -5.056  -6.139   7.929
  330    H    GLU  41           H        GLU  41  -7.250  -4.290   3.661
  331    HA   GLU  41           HA       GLU  41  -8.356  -2.377   3.548
  332   1HB   GLU  41           HB1      GLU  41 -10.870  -2.820   3.013
  333   2HB   GLU  41           HB2      GLU  41  -9.559  -3.422   1.930
  334   1HG   GLU  41           HG1      GLU  41 -11.016  -5.262   2.134
  335   2HG   GLU  41           HG2      GLU  41  -9.788  -5.644   3.367
  336    H    THR  42           H        THR  42 -10.327  -4.366   5.839
  337    HA   THR  42           HA       THR  42 -11.924  -3.179   7.362
  338    HB   THR  42           HB       THR  42 -11.358  -4.358   9.159
  339    HG1  THR  42           HG1      THR  42  -9.079  -4.259  10.019
  340   1HG2  THR  42          3HG2      THR  42  -9.375  -5.298   7.117
  341   2HG2  THR  42          1HG2      THR  42  -9.777  -6.151   8.590
  342   3HG2  THR  42          2HG2      THR  42 -11.029  -5.787   7.342
  343    H    LEU  43           H        LEU  43  -8.528  -2.039   7.136
  344    HA   LEU  43           HA       LEU  43  -8.837  -0.085   9.384
  345   1HB   LEU  43           HB1      LEU  43  -6.661  -2.013   8.477
  346   2HB   LEU  43           HB2      LEU  43  -6.177  -0.357   8.976
  347    HG   LEU  43           HG       LEU  43  -6.281  -0.546  11.086
  348   1HD1  LEU  43          1HD1      LEU  43  -8.739  -2.094  11.008
  349   2HD1  LEU  43          2HD1      LEU  43  -7.860  -1.557  12.483
  350   3HD1  LEU  43          3HD1      LEU  43  -8.291  -0.398  11.283
  351   1HD2  LEU  43          2HD2      LEU  43  -5.346  -3.165   9.985
  352   2HD2  LEU  43          3HD2      LEU  43  -4.683  -2.104  11.208
  353   3HD2  LEU  43          1HD2      LEU  43  -5.910  -3.210  11.676
  354    H    ALA  44           H        ALA  44  -9.110  -0.126   6.142
  355    HA   ALA  44           HA       ALA  44  -7.044   1.749   5.499
  356   1HB   ALA  44           HB3      ALA  44  -8.176   0.247   3.704
  357   2HB   ALA  44           HB1      ALA  44  -9.646   1.180   4.010
  358   3HB   ALA  44           HB2      ALA  44  -8.249   1.922   3.250
  359    H    GLY  45           H        GLY  45 -10.599   1.844   5.901
  360   1HA   GLY  45           HA1      GLY  45 -11.537   4.247   6.042
  361   2HA   GLY  45           HA2      GLY  45 -11.696   3.145   7.437
  362    H    GLU  46           H        GLU  46  -9.710   2.975   8.870
  363    HA   GLU  46           HA       GLU  46  -9.491   5.546  10.180
  364   1HB   GLU  46           HB1      GLU  46  -9.305   2.733  10.853
  365   2HB   GLU  46           HB2      GLU  46  -7.853   3.618  11.431
  366   1HG   GLU  46           HG1      GLU  46  -9.255   5.221  12.601
  367   2HG   GLU  46           HG2      GLU  46 -10.746   4.468  11.976
  368    H    LYS  47           H        LYS  47  -7.376   3.384   8.137
  369    HA   LYS  47           HA       LYS  47  -4.950   4.777   9.088
  370   1HB   LYS  47           HB1      LYS  47  -5.541   2.091   7.779
  371   2HB   LYS  47           HB2      LYS  47  -3.894   2.716   7.911
  372   1HG   LYS  47           HG1      LYS  47  -5.458   1.242   9.829
  373   2HG   LYS  47           HG2      LYS  47  -3.749   1.693   9.960
  374   1HD   LYS  47           HD1      LYS  47  -4.875   4.035  10.817
  375   2HD   LYS  47           HD2      LYS  47  -6.085   2.864  11.332
  376   1HE   LYS  47           HE1      LYS  47  -3.061   2.728  11.867
  377   2HE   LYS  47           HE2      LYS  47  -4.344   3.005  13.090
  378   1HZ   LYS  47           HZ1      LYS  47  -5.180   0.807  12.507
  379   2HZ   LYS  47           HZ2      LYS  47  -3.860   0.552  11.457
  380   3HZ   LYS  47           HZ3      LYS  47  -3.592   0.742  13.136
  381    H    GLY  48           H        GLY  48  -5.910   3.036   6.150
  382   1HA   GLY  48           HA1      GLY  48  -5.141   4.443   4.045
  383   2HA   GLY  48           HA2      GLY  48  -6.879   4.007   4.245
  384    H    GLN  49           H        GLN  49  -7.650   5.866   6.289
  385    HA   GLN  49           HA       GLN  49  -7.682   8.408   4.913
  386   1HB   GLN  49           HB1      GLN  49  -9.683   8.062   6.018
  387   2HB   GLN  49           HB2      GLN  49  -8.952   7.097   7.334
  388   1HG   GLN  49           HG1      GLN  49  -8.253   9.131   8.483
  389   2HG   GLN  49           HG2      GLN  49  -8.663  10.135   7.070
  390   1HE2  GLN  49          1HE2      GLN  49 -11.635   8.957   9.604
  391   2HE2  GLN  49          2HE2      GLN  49  -9.923   8.625   9.996
  392    H    ASN  50           H        ASN  50  -5.860   6.945   7.680
  393    HA   ASN  50           HA       ASN  50  -4.632   9.483   8.388
  394   1HB   ASN  50           HB1      ASN  50  -4.564   6.697   9.592
  395   2HB   ASN  50           HB2      ASN  50  -3.357   7.922  10.064
  396   1HD2  ASN  50          1HD2      ASN  50  -5.603   9.179  12.436
  397   2HD2  ASN  50          2HD2      ASN  50  -3.927   8.782  12.045
  398    H    ALA  51           H        ALA  51  -4.272   7.902   5.700
  399    HA   ALA  51           HA       ALA  51  -1.438   7.127   5.788
  400   1HB   ALA  51           HB1      ALA  51  -3.117   5.602   4.791
  401   2HB   ALA  51           HB2      ALA  51  -3.431   6.781   3.516
  402   3HB   ALA  51           HB3      ALA  51  -1.830   6.041   3.653
  403    H    ASP  52           H        ASP  52  -0.144   7.753   3.825
  404    HA   ASP  52           HA       ASP  52  -0.790  10.279   2.468
  405   1HB   ASP  52           HB1      ASP  52   1.701   8.638   2.875
  406   2HB   ASP  52           HB2      ASP  52   1.634   9.764   1.490
  407    H    VAL  53           H        VAL  53  -0.390   6.780   2.019
  408    HA   VAL  53           HA       VAL  53  -1.767   6.895  -0.508
  409    HB   VAL  53           HB       VAL  53   0.954   5.593  -0.288
  410   1HG1  VAL  53          2HG1      VAL  53  -1.136   4.950  -2.233
  411   2HG1  VAL  53          3HG1      VAL  53   0.473   5.149  -2.859
  412   3HG1  VAL  53          1HG1      VAL  53   0.213   4.070  -1.504
  413   1HG2  VAL  53          1HG2      VAL  53   0.293   8.216  -1.074
  414   2HG2  VAL  53          2HG2      VAL  53   1.858   7.409  -1.313
  415   3HG2  VAL  53          3HG2      VAL  53   0.649   7.347  -2.581
  416    H    VAL  54           H        VAL  54  -3.211   5.226  -0.730
  417    HA   VAL  54           HA       VAL  54  -3.211   3.026   1.201
  418    HB   VAL  54           HB       VAL  54  -5.235   4.213  -0.654
  419   1HG1  VAL  54          1HG1      VAL  54  -5.326   1.533   0.225
  420   2HG1  VAL  54          2HG1      VAL  54  -6.777   2.446   0.714
  421   3HG1  VAL  54          3HG1      VAL  54  -6.349   2.321  -0.956
  422   1HG2  VAL  54          1HG2      VAL  54  -4.553   4.706   2.063
  423   2HG2  VAL  54          2HG2      VAL  54  -5.862   5.467   1.145
  424   3HG2  VAL  54          3HG2      VAL  54  -6.179   3.998   2.059
  425    H    LEU  55           H        LEU  55  -2.733   0.857   0.392
  426    HA   LEU  55           HA       LEU  55  -3.239   0.321  -2.496
  427   1HB   LEU  55           HB1      LEU  55  -1.303  -1.232  -0.662
  428   2HB   LEU  55           HB2      LEU  55  -1.499  -1.372  -2.417
  429    HG   LEU  55           HG       LEU  55   0.113   0.601  -0.836
  430   1HD1  LEU  55          3HD1      LEU  55   0.618  -1.239  -3.005
  431   2HD1  LEU  55          1HD1      LEU  55   1.664   0.184  -2.646
  432   3HD1  LEU  55          2HD1      LEU  55   1.437  -1.112  -1.456
  433   1HD2  LEU  55          1HD2      LEU  55  -1.085   1.087  -3.604
  434   2HD2  LEU  55          2HD2      LEU  55  -1.055   2.248  -2.239
  435   3HD2  LEU  55          3HD2      LEU  55   0.431   1.841  -3.101
  436    H    LEU  56           H        LEU  56  -4.514  -1.457  -2.958
  437    HA   LEU  56           HA       LEU  56  -5.111  -3.472  -0.830
  438   1HB   LEU  56           HB1      LEU  56  -6.346  -2.576  -3.523
  439   2HB   LEU  56           HB2      LEU  56  -6.799  -4.146  -2.804
  440    HG   LEU  56           HG       LEU  56  -7.365  -1.437  -1.684
  441   1HD1  LEU  56          1HD1      LEU  56  -8.631  -1.674  -3.607
  442   2HD1  LEU  56          2HD1      LEU  56  -9.451  -3.108  -2.985
  443   3HD1  LEU  56          3HD1      LEU  56  -9.575  -1.614  -2.079
  444   1HD2  LEU  56          2HD2      LEU  56  -7.192  -3.882  -0.278
  445   2HD2  LEU  56          3HD2      LEU  56  -7.909  -2.406   0.338
  446   3HD2  LEU  56          1HD2      LEU  56  -8.916  -3.571  -0.534
  447    H    GLY  57           H        GLY  57  -4.783  -5.774  -1.528
  448   1HA   GLY  57           HA1      GLY  57  -2.711  -6.387  -3.357
  449   2HA   GLY  57           HA2      GLY  57  -3.899  -7.528  -2.694
  450    HA   PRO  58           HA       PRO  58  -5.087  -7.028  -7.111
  451   1HB   PRO  58           HB1      PRO  58  -3.494  -8.768  -8.474
  452   2HB   PRO  58           HB2      PRO  58  -3.003  -7.093  -8.116
  453   1HG   PRO  58           HG1      PRO  58  -2.161  -9.676  -6.698
  454   2HG   PRO  58           HG2      PRO  58  -1.209  -8.216  -7.084
  455   1HD   PRO  58           HD2      PRO  58  -2.498  -8.730  -4.527
  456   2HD   PRO  58           HD1      PRO  58  -1.895  -7.122  -5.050
  457    H    GLN  59           H        GLN  59  -5.225  -9.261  -4.732
  458    HA   GLN  59           HA       GLN  59  -7.420 -10.605  -6.151
  459   1HB   GLN  59           HB1      GLN  59  -7.441 -11.361  -3.402
  460   2HB   GLN  59           HB2      GLN  59  -6.894 -12.315  -4.802
  461   1HG   GLN  59           HG1      GLN  59  -4.629 -11.736  -4.434
  462   2HG   GLN  59           HG2      GLN  59  -5.021 -10.446  -3.264
  463   1HE2  GLN  59          1HE2      GLN  59  -4.148 -12.897  -0.863
  464   2HE2  GLN  59          2HE2      GLN  59  -3.616 -11.435  -1.707
  465    H    ILE  60           H        ILE  60  -6.674  -8.040  -3.757
  466    HA   ILE  60           HA       ILE  60  -9.420  -8.070  -2.648
  467    HB   ILE  60           HB       ILE  60  -8.498  -8.439  -0.791
  468   1HG1  ILE  60          1HG1      ILE  60  -7.046  -6.031  -0.118
  469   2HG1  ILE  60          2HG1      ILE  60  -8.406  -5.499  -1.112
  470   1HG2  ILE  60          1HG2      ILE  60  -6.514  -9.139  -1.912
  471   2HG2  ILE  60          2HG2      ILE  60  -5.739  -7.614  -1.394
  472   3HG2  ILE  60          3HG2      ILE  60  -6.347  -8.689  -0.194
  473   1HD1  ILE  60           HD2      ILE  60  -9.807  -6.952   0.706
  474   2HD1  ILE  60           HD3      ILE  60  -8.359  -6.749   1.618
  475   3HD1  ILE  60           HD1      ILE  60  -9.155  -5.301   0.867
  476    H    ALA  61           H        ALA  61  -8.061  -6.874  -5.147
  477    HA   ALA  61           HA       ALA  61  -7.903  -4.067  -4.933
  478   1HB   ALA  61           HB2      ALA  61  -7.180  -5.788  -6.893
  479   2HB   ALA  61           HB3      ALA  61  -8.792  -5.421  -7.497
  480   3HB   ALA  61           HB1      ALA  61  -7.583  -4.132  -7.293
  481    H    TYR  62           H        TYR  62 -10.524  -6.350  -5.358
  482    HA   TYR  62           HA       TYR  62 -12.377  -5.180  -7.009
  483   1HB   TYR  62           HB1      TYR  62 -13.842  -6.794  -6.157
  484   2HB   TYR  62           HB2      TYR  62 -12.171  -7.487  -6.068
  485    HD1  TYR  62           HD1      TYR  62 -11.193  -6.098  -3.619
  486    HD2  TYR  62           HD2      TYR  62 -15.070  -7.821  -4.460
  487    HE1  TYR  62           HE1      TYR  62 -11.281  -7.024  -1.288
  488    HE2  TYR  62           HE2      TYR  62 -15.176  -8.741  -2.106
  489    HH   TYR  62           HH       TYR  62 -14.192  -8.835  -0.142
  490    H    MET  63           H        MET  63 -11.498  -4.218  -3.773
  491    HA   MET  63           HA       MET  63 -14.076  -3.490  -2.785
  492   1HB   MET  63           HB1      MET  63 -11.270  -3.803  -1.860
  493   2HB   MET  63           HB2      MET  63 -12.200  -2.544  -0.972
  494   1HG   MET  63           HG1      MET  63 -13.427  -5.275  -1.439
  495   2HG   MET  63           HG2      MET  63 -12.113  -5.107  -0.248
  496   1HE   MET  63           HE3      MET  63 -12.104  -3.247   1.427
  497   2HE   MET  63           HE1      MET  63 -13.176  -1.938   0.898
  498   3HE   MET  63           HE2      MET  63 -13.482  -2.803   2.442
  499    H    LEU  64           H        LEU  64 -12.042  -2.114  -4.993
  500    HA   LEU  64           HA       LEU  64 -10.994   0.221  -4.020
  501   1HB   LEU  64           HB1      LEU  64 -11.174  -1.216  -6.489
  502   2HB   LEU  64           HB2      LEU  64 -11.880   0.387  -6.890
  503    HG   LEU  64           HG       LEU  64  -9.049  -0.219  -6.065
  504   1HD1  LEU  64          2HD1      LEU  64 -10.164   0.692  -8.696
  505   2HD1  LEU  64          3HD1      LEU  64  -8.562   1.059  -8.131
  506   3HD1  LEU  64          1HD1      LEU  64  -9.119  -0.644  -8.238
  507   1HD2  LEU  64          2HD2      LEU  64 -10.678   2.313  -5.947
  508   2HD2  LEU  64          3HD2      LEU  64  -9.364   1.804  -4.865
  509   3HD2  LEU  64          1HD2      LEU  64  -8.993   2.426  -6.473
  510    HA   PRO  65           HA       PRO  65 -15.246   2.244  -5.654
  511   1HB   PRO  65           HB1      PRO  65 -16.834  -0.225  -4.956
  512   2HB   PRO  65           HB2      PRO  65 -17.236   1.048  -6.139
  513   1HG   PRO  65           HG1      PRO  65 -16.134  -1.159  -7.146
  514   2HG   PRO  65           HG2      PRO  65 -15.399   0.404  -7.651
  515   1HD   PRO  65           HD2      PRO  65 -14.501  -1.468  -5.362
  516   2HD   PRO  65           HD1      PRO  65 -13.478  -0.752  -6.643
  517    H    GLU  66           H        GLU  66 -15.189  -0.125  -3.086
  518    HA   GLU  66           HA       GLU  66 -16.633   1.151  -1.062
  519   1HB   GLU  66           HB1      GLU  66 -15.338  -1.260  -1.440
  520   2HB   GLU  66           HB2      GLU  66 -14.297  -0.486  -0.239
  521   1HG   GLU  66           HG1      GLU  66 -15.785  -1.185   1.304
  522   2HG   GLU  66           HG2      GLU  66 -16.948  -0.009   0.600
  523    H    ILE  67           H        ILE  67 -13.072   0.985  -1.659
  524    HA   ILE  67           HA       ILE  67 -12.023   2.502   0.388
  525    HB   ILE  67           HB       ILE  67 -10.799   2.415  -2.334
  526   1HG1  ILE  67          1HG1      ILE  67 -11.084   0.104  -1.930
  527   2HG1  ILE  67          2HG1      ILE  67  -9.525   0.473  -1.153
  528   1HG2  ILE  67          2HG2      ILE  67  -9.965   4.018  -0.525
  529   2HG2  ILE  67          3HG2      ILE  67  -9.103   2.585   0.017
  530   3HG2  ILE  67          1HG2      ILE  67  -8.969   3.080  -1.662
  531   1HD1  ILE  67           HD1      ILE  67 -12.168   0.257   0.263
  532   2HD1  ILE  67           HD2      ILE  67 -11.026  -1.104   0.165
  533   3HD1  ILE  67           HD3      ILE  67 -10.582   0.301   1.044
  534    H    GLN  68           H        GLN  68 -12.943   3.674  -2.945
  535    HA   GLN  68           HA       GLN  68 -12.040   6.326  -2.636
  536   1HB   GLN  68           HB1      GLN  68 -13.814   4.766  -4.554
  537   2HB   GLN  68           HB2      GLN  68 -13.913   6.538  -4.612
  538   1HG   GLN  68           HG1      GLN  68 -12.125   4.865  -5.977
  539   2HG   GLN  68           HG2      GLN  68 -12.058   6.648  -5.840
  540   1HE2  GLN  68          1HE2      GLN  68  -9.368   6.658  -3.533
  541   2HE2  GLN  68          2HE2      GLN  68 -10.370   7.607  -4.647
  542    H    ARG  69           H        ARG  69 -15.168   4.659  -1.979
  543    HA   ARG  69           HA       ARG  69 -16.860   6.704  -1.449
  544   1HB   ARG  69           HB1      ARG  69 -16.449   4.000  -0.151
  545   2HB   ARG  69           HB2      ARG  69 -17.808   5.064   0.349
  546   1HG   ARG  69           HG1      ARG  69 -18.200   5.155  -2.318
  547   2HG   ARG  69           HG2      ARG  69 -17.373   3.583  -2.228
  548   1HD   ARG  69           HD1      ARG  69 -19.088   2.953  -0.383
  549   2HD   ARG  69           HD2      ARG  69 -20.036   4.381  -0.932
  550    HE   ARG  69           HE       ARG  69 -19.671   1.905  -2.365
  551   1HH1  ARG  69          2HH1      ARG  69 -20.555   5.169  -2.588
  552   2HH1  ARG  69          1HH1      ARG  69 -21.458   4.902  -4.240
  553   1HH2  ARG  69          2HH2      ARG  69 -20.615   1.687  -4.286
  554   2HH2  ARG  69          1HH2      ARG  69 -21.448   3.199  -5.077
  555    H    LEU  70           H        LEU  70 -15.607   4.883   1.312
  556    HA   LEU  70           HA       LEU  70 -15.738   7.058   3.142
  557   1HB   LEU  70           HB1      LEU  70 -15.436   5.214   4.717
  558   2HB   LEU  70           HB2      LEU  70 -15.955   4.344   3.253
  559    HG   LEU  70           HG       LEU  70 -13.188   4.713   4.263
  560   1HD1  LEU  70          1HD1      LEU  70 -15.098   2.589   4.739
  561   2HD1  LEU  70          2HD1      LEU  70 -13.612   1.946   4.091
  562   3HD1  LEU  70          3HD1      LEU  70 -13.505   2.919   5.518
  563   1HD2  LEU  70          3HD2      LEU  70 -13.762   4.751   1.659
  564   2HD2  LEU  70          1HD2      LEU  70 -12.392   3.778   2.233
  565   3HD2  LEU  70          2HD2      LEU  70 -13.934   3.017   1.884
  566    H    LEU  71           H        LEU  71 -13.422   6.470   0.848
  567    HA   LEU  71           HA       LEU  71 -11.586   8.318   2.149
  568   1HB   LEU  71           HB1      LEU  71 -10.917   5.731   0.545
  569   2HB   LEU  71           HB2      LEU  71  -9.682   6.903   1.092
  570    HG   LEU  71           HG       LEU  71 -11.319   5.210   2.948
  571   1HD1  LEU  71          1HD1      LEU  71  -8.658   4.688   1.841
  572   2HD1  LEU  71          2HD1      LEU  71  -9.292   3.820   3.217
  573   3HD1  LEU  71          3HD1      LEU  71 -10.153   3.735   1.682
  574   1HD2  LEU  71          2HD2      LEU  71  -9.155   7.287   3.349
  575   2HD2  LEU  71          3HD2      LEU  71 -10.565   6.957   4.353
  576   3HD2  LEU  71          1HD2      LEU  71  -9.234   5.834   4.405
  577    HA   PRO  72           HA       PRO  72 -12.579   9.582  -2.172
  578   1HB   PRO  72           HB1      PRO  72 -14.278  11.604  -1.844
  579   2HB   PRO  72           HB2      PRO  72 -14.857   9.938  -1.568
  580   1HG   PRO  72           HG1      PRO  72 -13.923  12.018   0.493
  581   2HG   PRO  72           HG2      PRO  72 -15.303  10.921   0.624
  582   1HD   PRO  72           HD2      PRO  72 -12.753  10.358   1.725
  583   2HD   PRO  72           HD1      PRO  72 -13.956   9.085   1.328
  584    H    ASN  73           H        ASN  73 -10.219  10.190  -1.007
  585    HA   ASN  73           HA       ASN  73  -9.563  12.898  -1.905
  586   1HB   ASN  73           HB1      ASN  73  -8.742  13.754   0.136
  587   2HB   ASN  73           HB2      ASN  73 -10.344  13.052   0.534
  588   1HD2  ASN  73          1HD2      ASN  73  -8.753  10.180   2.203
  589   2HD2  ASN  73          2HD2      ASN  73 -10.282  10.730   1.485
  590    H    LYS  74           H        LYS  74  -8.346   9.902  -0.182
  591    HA   LYS  74           HA       LYS  74  -5.635  10.548  -0.587
  592   1HB   LYS  74           HB1      LYS  74  -6.950   7.924   0.162
  593   2HB   LYS  74           HB2      LYS  74  -5.180   8.268   0.250
  594   1HG   LYS  74           HG1      LYS  74  -6.896  10.296   1.557
  595   2HG   LYS  74           HG2      LYS  74  -6.978   8.714   2.346
  596   1HD   LYS  74           HD1      LYS  74  -4.557   8.712   2.714
  597   2HD   LYS  74           HD2      LYS  74  -4.395  10.218   1.761
  598   1HE   LYS  74           HE1      LYS  74  -6.394  10.473   3.926
  599   2HE   LYS  74           HE2      LYS  74  -4.781  10.095   4.564
  600   1HZ   LYS  74           HZ1      LYS  74  -3.912  11.880   3.157
  601   2HZ   LYS  74           HZ2      LYS  74  -5.507  12.306   2.747
  602   3HZ   LYS  74           HZ3      LYS  74  -4.970  12.396   4.378
  603    HA   PRO  75           HA       PRO  75  -4.826   8.046  -4.285
  604   1HB   PRO  75           HB1      PRO  75  -2.119   8.028  -4.304
  605   2HB   PRO  75           HB2      PRO  75  -3.041   9.470  -4.743
  606   1HG   PRO  75           HG1      PRO  75  -1.604   8.893  -2.134
  607   2HG   PRO  75           HG2      PRO  75  -1.860  10.470  -2.924
  608   1HD   PRO  75           HD2      PRO  75  -3.481   9.339  -0.773
  609   2HD   PRO  75           HD1      PRO  75  -3.892  10.799  -1.774
  610    H    VAL  76           H        VAL  76  -5.902   6.375  -3.234
  611    HA   VAL  76           HA       VAL  76  -4.507   4.045  -2.392
  612    HB   VAL  76           HB       VAL  76  -6.711   4.080  -1.824
  613   1HG1  VAL  76          1HG1      VAL  76  -7.346   5.198  -4.400
  614   2HG1  VAL  76          2HG1      VAL  76  -8.609   4.262  -3.551
  615   3HG1  VAL  76          3HG1      VAL  76  -7.927   5.695  -2.806
  616   1HG2  VAL  76          2HG2      VAL  76  -6.616   2.300  -4.329
  617   2HG2  VAL  76          3HG2      VAL  76  -6.033   1.859  -2.766
  618   3HG2  VAL  76          1HG2      VAL  76  -7.781   2.187  -3.032
  619    H    GLU  77           H        GLU  77  -3.847   2.231  -3.616
  620    HA   GLU  77           HA       GLU  77  -4.751   1.767  -6.301
  621   1HB   GLU  77           HB1      GLU  77  -2.586   1.664  -7.477
  622   2HB   GLU  77           HB2      GLU  77  -2.999   3.313  -6.951
  623   1HG   GLU  77           HG1      GLU  77  -0.856   3.300  -6.195
  624   2HG   GLU  77           HG2      GLU  77  -1.553   2.495  -4.788
  625    H    VAL  78           H        VAL  78  -4.583  -0.408  -6.833
  626    HA   VAL  78           HA       VAL  78  -3.676  -2.266  -4.787
  627    HB   VAL  78           HB       VAL  78  -5.255  -3.629  -5.470
  628   1HG1  VAL  78          3HG1      VAL  78  -6.245  -1.094  -6.222
  629   2HG1  VAL  78          1HG1      VAL  78  -6.591  -2.274  -7.526
  630   3HG1  VAL  78          2HG1      VAL  78  -7.080  -2.555  -5.854
  631   1HG2  VAL  78          3HG2      VAL  78  -3.976  -3.347  -8.182
  632   2HG2  VAL  78          1HG2      VAL  78  -4.412  -4.778  -7.254
  633   3HG2  VAL  78          2HG2      VAL  78  -5.641  -3.885  -8.168
  634    H    ILE  79           H        ILE  79  -2.567  -4.389  -5.818
  635    HA   ILE  79           HA       ILE  79   0.042  -3.369  -6.741
  636    HB   ILE  79           HB       ILE  79  -0.398  -5.849  -5.240
  637   1HG1  ILE  79          1HG1      ILE  79   0.007  -2.993  -4.227
  638   2HG1  ILE  79          2HG1      ILE  79  -1.360  -4.094  -3.849
  639   1HG2  ILE  79          1HG2      ILE  79   1.597  -5.858  -6.386
  640   2HG2  ILE  79          2HG2      ILE  79   2.115  -4.331  -5.581
  641   3HG2  ILE  79          3HG2      ILE  79   1.902  -5.789  -4.643
  642   1HD1  ILE  79           HD3      ILE  79   0.681  -5.501  -2.782
  643   2HD1  ILE  79           HD1      ILE  79   1.253  -3.793  -2.687
  644   3HD1  ILE  79           HD2      ILE  79  -0.201  -4.279  -1.863
  645    H    ASP  80           H        ASP  80   1.340  -4.990  -8.032
  646    HA   ASP  80           HA       ASP  80   0.142  -6.858  -9.908
  647   1HB   ASP  80           HB1      ASP  80   2.802  -5.729  -9.230
  648   2HB   ASP  80           HB2      ASP  80   2.785  -7.401  -9.790
  649    H    SER  81           H        SER  81   1.794  -9.055  -9.732
  650    HA   SER  81           HA       SER  81   0.073 -10.363  -7.693
  651   1HB   SER  81           HB1      SER  81  -0.610 -10.548 -10.093
  652   2HB   SER  81           HB2      SER  81   0.948 -11.334 -10.453
  653    HG   SER  81           HG       SER  81  -0.911 -12.783 -10.108
  654    H    LEU  82           H        LEU  82   3.099 -10.459  -9.574
  655    HA   LEU  82           HA       LEU  82   4.496 -12.000  -7.419
  656   1HB   LEU  82           HB1      LEU  82   4.238 -12.086 -10.449
  657   2HB   LEU  82           HB2      LEU  82   5.902 -12.065  -9.957
  658    HG   LEU  82           HG       LEU  82   4.050 -14.135  -9.934
  659   1HD1  LEU  82          2HD1      LEU  82   6.240 -14.126 -11.082
  660   2HD1  LEU  82          3HD1      LEU  82   6.882 -14.031  -9.440
  661   3HD1  LEU  82          1HD1      LEU  82   5.985 -15.522 -10.040
  662   1HD2  LEU  82          3HD2      LEU  82   5.726 -13.691  -7.402
  663   2HD2  LEU  82          1HD2      LEU  82   3.980 -13.978  -7.423
  664   3HD2  LEU  82          2HD2      LEU  82   5.098 -15.288  -7.815
  665    H    LEU  83           H        LEU  83   4.022  -8.821  -8.370
  666    HA   LEU  83           HA       LEU  83   6.607  -8.034  -7.339
  667   1HB   LEU  83           HB1      LEU  83   3.878  -6.712  -7.984
  668   2HB   LEU  83           HB2      LEU  83   5.191  -5.753  -7.239
  669    HG   LEU  83           HG       LEU  83   4.725  -5.521  -9.718
  670   1HD1  LEU  83          1HD1      LEU  83   7.106  -5.297  -8.286
  671   2HD1  LEU  83          2HD1      LEU  83   7.426  -5.479  -9.999
  672   3HD1  LEU  83          3HD1      LEU  83   6.293  -4.234  -9.467
  673   1HD2  LEU  83          3HD2      LEU  83   4.790  -8.072 -10.223
  674   2HD2  LEU  83          1HD2      LEU  83   5.831  -7.062 -11.214
  675   3HD2  LEU  83          2HD2      LEU  83   6.513  -7.998  -9.850
  676    H    TYR  84           H        TYR  84   3.094  -8.134  -6.415
  677    HA   TYR  84           HA       TYR  84   3.173  -8.118  -3.693
  678   1HB   TYR  84           HB1      TYR  84   1.168  -8.113  -5.202
  679   2HB   TYR  84           HB2      TYR  84   1.307  -9.868  -5.348
  680    HD1  TYR  84           HD1      TYR  84   1.954  -7.813  -2.280
  681    HD2  TYR  84           HD2      TYR  84  -0.530 -10.733  -4.265
  682    HE1  TYR  84           HE1      TYR  84   0.233  -7.606  -0.441
  683    HE2  TYR  84           HE2      TYR  84  -1.832 -11.030  -2.144
  684    HH   TYR  84           HH       TYR  84  -2.514  -9.995  -0.304
  685    H    GLY  85           H        GLY  85   2.565 -11.251  -5.398
  686   1HA   GLY  85           HA1      GLY  85   3.420 -13.183  -3.724
  687   2HA   GLY  85           HA2      GLY  85   3.734 -13.192  -5.499
  688    H    LYS  86           H        LYS  86   5.698 -11.476  -6.033
  689    HA   LYS  86           HA       LYS  86   7.842 -13.077  -4.864
  690   1HB   LYS  86           HB1      LYS  86   7.736 -13.528  -7.106
  691   2HB   LYS  86           HB2      LYS  86   6.866 -12.054  -7.497
  692   1HG   LYS  86           HG1      LYS  86   8.673 -11.343  -8.527
  693   2HG   LYS  86           HG2      LYS  86   9.310 -10.892  -6.939
  694   1HD   LYS  86           HD1      LYS  86  10.603 -12.445  -8.819
  695   2HD   LYS  86           HD2      LYS  86  11.076 -12.295  -7.120
  696   1HE   LYS  86           HE1      LYS  86   9.411 -14.225  -6.573
  697   2HE   LYS  86           HE2      LYS  86   9.371 -14.527  -8.319
  698   1HZ   LYS  86           HZ1      LYS  86  11.845 -14.577  -8.265
  699   2HZ   LYS  86           HZ2      LYS  86  11.726 -14.579  -6.570
  700   3HZ   LYS  86           HZ3      LYS  86  11.062 -15.875  -7.421
  701    H    VAL  87           H        VAL  87   6.547 -10.311  -3.906
  702    HA   VAL  87           HA       VAL  87   7.295  -8.996  -2.287
  703    HB   VAL  87           HB       VAL  87   9.711  -9.939  -1.392
  704   1HG1  VAL  87          2HG1      VAL  87   7.175  -9.710  -0.472
  705   2HG1  VAL  87          3HG1      VAL  87   7.503 -11.406  -0.202
  706   3HG1  VAL  87          1HG1      VAL  87   8.648 -10.194   0.392
  707   1HG2  VAL  87          1HG2      VAL  87   9.777 -11.842  -3.009
  708   2HG2  VAL  87          2HG2      VAL  87   9.494 -12.464  -1.381
  709   3HG2  VAL  87          3HG2      VAL  87   8.128 -12.312  -2.479
  710    H    ASP  88           H        ASP  88   7.580  -7.834  -4.651
  711    HA   ASP  88           HA       ASP  88   9.243  -6.031  -5.493
  712   1HB   ASP  88           HB1      ASP  88   7.598  -4.317  -4.637
  713   2HB   ASP  88           HB2      ASP  88   6.909  -5.734  -5.464
  714    H    GLY  89           H        GLY  89   8.541  -3.932  -3.074
  715   1HA   GLY  89           HA1      GLY  89   9.684  -2.739  -1.619
  716   2HA   GLY  89           HA2      GLY  89  10.901  -4.004  -1.564
  717    H    LEU  90           H        LEU  90  10.499  -0.920  -2.353
  718    HA   LEU  90           HA       LEU  90  11.446   0.645  -3.637
  719   1HB   LEU  90           HB1      LEU  90  12.638  -1.215  -5.773
  720   2HB   LEU  90           HB2      LEU  90  13.334   0.263  -5.036
  721    HG   LEU  90           HG       LEU  90  13.418  -1.995  -3.140
  722   1HD1  LEU  90          3HD1      LEU  90  13.462  -3.523  -4.863
  723   2HD1  LEU  90          1HD1      LEU  90  14.791  -2.602  -5.669
  724   3HD1  LEU  90          2HD1      LEU  90  15.022  -3.384  -4.115
  725   1HD2  LEU  90          2HD2      LEU  90  14.647   0.314  -3.267
  726   2HD2  LEU  90          3HD2      LEU  90  15.624  -1.079  -2.842
  727   3HD2  LEU  90          1HD2      LEU  90  15.622  -0.481  -4.510
  728    H    GLY  91           H        GLY  91  10.528  -2.249  -5.757
  729   1HA   GLY  91           HA1      GLY  91   8.744  -1.381  -7.578
  730   2HA   GLY  91           HA2      GLY  91   8.402  -2.692  -6.412
  731    H    VAL  92           H        VAL  92   7.736  -1.624  -4.086
  732    HA   VAL  92           HA       VAL  92   5.102  -0.579  -4.856
  733    HB   VAL  92           HB       VAL  92   5.782  -1.960  -2.401
  734   1HG1  VAL  92          3HG1      VAL  92   3.411  -0.554  -3.252
  735   2HG1  VAL  92          1HG1      VAL  92   3.168  -2.257  -2.962
  736   3HG1  VAL  92          2HG1      VAL  92   3.809  -1.188  -1.679
  737   1HG2  VAL  92          2HG2      VAL  92   5.916  -3.237  -4.758
  738   2HG2  VAL  92          3HG2      VAL  92   4.947  -3.922  -3.464
  739   3HG2  VAL  92          1HG2      VAL  92   4.202  -2.891  -4.722
  740    H    LEU  93           H        LEU  93   8.007   0.263  -2.933
  741    HA   LEU  93           HA       LEU  93   7.176   2.850  -2.053
  742   1HB   LEU  93           HB1      LEU  93   9.296   1.416  -1.561
  743   2HB   LEU  93           HB2      LEU  93   9.954   2.075  -3.130
  744    HG   LEU  93           HG       LEU  93  10.376   4.122  -2.247
  745   1HD1  LEU  93          2HD1      LEU  93   7.942   4.116  -0.639
  746   2HD1  LEU  93          3HD1      LEU  93   9.372   4.789   0.060
  747   3HD1  LEU  93          1HD1      LEU  93   8.864   5.282  -1.564
  748   1HD2  LEU  93          1HD2      LEU  93  10.786   1.913  -0.274
  749   2HD2  LEU  93          2HD2      LEU  93  11.954   3.022  -1.004
  750   3HD2  LEU  93          3HD2      LEU  93  11.002   3.528   0.367
  751    H    LYS  94           H        LYS  94   8.998   1.842  -5.131
  752    HA   LYS  94           HA       LYS  94   8.832   4.087  -6.629
  753   1HB   LYS  94           HB1      LYS  94   8.854   1.195  -7.188
  754   2HB   LYS  94           HB2      LYS  94   8.401   2.247  -8.541
  755   1HG   LYS  94           HG1      LYS  94  10.789   2.914  -6.787
  756   2HG   LYS  94           HG2      LYS  94  10.917   1.791  -8.163
  757   1HD   LYS  94           HD1      LYS  94   9.786   3.913  -9.441
  758   2HD   LYS  94           HD2      LYS  94  10.623   4.759  -8.138
  759   1HE   LYS  94           HE1      LYS  94  12.607   4.416  -9.379
  760   2HE   LYS  94           HE2      LYS  94  12.390   2.663  -9.117
  761   1HZ   LYS  94           HZ1      LYS  94  10.931   2.659 -11.039
  762   2HZ   LYS  94           HZ2      LYS  94  11.264   4.299 -11.292
  763   3HZ   LYS  94           HZ3      LYS  94  12.521   3.141 -11.423
  764    H    ALA  95           H        ALA  95   6.306   1.489  -6.686
  765    HA   ALA  95           HA       ALA  95   4.657   2.863  -8.585
  766   1HB   ALA  95           HB1      ALA  95   4.462   0.260  -7.025
  767   2HB   ALA  95           HB2      ALA  95   3.001   0.909  -7.786
  768   3HB   ALA  95           HB3      ALA  95   4.426   0.561  -8.764
  769    H    ALA  96           H        ALA  96   4.678   2.669  -5.014
  770    HA   ALA  96           HA       ALA  96   2.275   3.930  -4.370
  771   1HB   ALA  96           HB1      ALA  96   4.998   3.855  -3.117
  772   2HB   ALA  96           HB2      ALA  96   3.724   4.876  -2.424
  773   3HB   ALA  96           HB3      ALA  96   3.467   3.153  -2.547
  774    H    VAL  97           H        VAL  97   5.440   5.242  -5.544
  775    HA   VAL  97           HA       VAL  97   4.756   7.983  -5.021
  776    HB   VAL  97           HB       VAL  97   7.170   6.754  -6.369
  777   1HG1  VAL  97          2HG1      VAL  97   6.639   9.166  -7.017
  778   2HG1  VAL  97          3HG1      VAL  97   7.307   9.601  -5.468
  779   3HG1  VAL  97          1HG1      VAL  97   8.278   8.589  -6.523
  780   1HG2  VAL  97          3HG2      VAL  97   6.446   6.939  -3.565
  781   2HG2  VAL  97          1HG2      VAL  97   7.940   6.340  -4.328
  782   3HG2  VAL  97          2HG2      VAL  97   7.798   8.033  -3.841
  783    H    ALA  98           H        ALA  98   4.840   5.721  -7.771
  784    HA   ALA  98           HA       ALA  98   4.181   7.717  -9.764
  785   1HB   ALA  98           HB1      ALA  98   4.935   4.835  -9.779
  786   2HB   ALA  98           HB2      ALA  98   3.920   5.405 -11.122
  787   3HB   ALA  98           HB3      ALA  98   5.482   6.169 -10.831
  788    H    ALA  99           H        ALA  99   2.544   5.369  -7.672
  789    HA   ALA  99           HA       ALA  99  -0.072   5.468  -8.556
  790   1HB   ALA  99           HB3      ALA  99   0.763   4.291  -6.495
  791   2HB   ALA  99           HB1      ALA  99   0.919   5.861  -5.687
  792   3HB   ALA  99           HB2      ALA  99  -0.670   5.263  -6.159
  793    H    ILE 100           H        ILE 100   1.590   7.909  -6.430
  794    HA   ILE 100           HA       ILE 100  -0.391   9.781  -6.126
  795    HB   ILE 100           HB       ILE 100   2.464   9.565  -5.654
  796   1HG1  ILE 100          1HG1      ILE 100   0.636  11.213  -3.938
  797   2HG1  ILE 100          2HG1      ILE 100   0.252   9.483  -4.075
  798   1HG2  ILE 100          1HG2      ILE 100   1.400  12.203  -6.401
  799   2HG2  ILE 100          2HG2      ILE 100   2.730  12.027  -5.202
  800   3HG2  ILE 100          3HG2      ILE 100   2.931  11.471  -6.838
  801   1HD1  ILE 100           HD1      ILE 100   2.866  10.629  -3.211
  802   2HD1  ILE 100           HD2      ILE 100   1.669  10.028  -2.040
  803   3HD1  ILE 100           HD3      ILE 100   2.427   8.900  -3.109
  804    H    LYS 101           H        LYS 101   2.455   9.774  -8.294
  805    HA   LYS 101           HA       LYS 101   1.744  11.991  -9.865
  806   1HB   LYS 101           HB1      LYS 101   4.023  10.544  -9.544
  807   2HB   LYS 101           HB2      LYS 101   3.531   9.966 -11.135
  808   1HG   LYS 101           HG1      LYS 101   3.373  12.298 -11.988
  809   2HG   LYS 101           HG2      LYS 101   3.727  12.936 -10.376
  810   1HD   LYS 101           HD1      LYS 101   5.908  11.441 -10.673
  811   2HD   LYS 101           HD2      LYS 101   5.592  11.790 -12.379
  812   1HE   LYS 101           HE1      LYS 101   5.325  14.076 -10.378
  813   2HE   LYS 101           HE2      LYS 101   6.969  13.566 -10.866
  814   1HZ   LYS 101           HZ1      LYS 101   6.194  13.785 -13.199
  815   2HZ   LYS 101           HZ2      LYS 101   4.768  14.500 -12.611
  816   3HZ   LYS 101           HZ3      LYS 101   6.282  15.253 -12.332
  817    H    LYS 102           H        LYS 102   0.549   8.677 -10.068
  818    HA   LYS 102           HA       LYS 102  -0.298   9.012 -12.843
  819   1HB   LYS 102           HB1      LYS 102   0.527   6.843 -12.482
  820   2HB   LYS 102           HB2      LYS 102  -0.401   6.633 -10.989
  821   1HG   LYS 102           HG1      LYS 102  -2.474   6.388 -12.150
  822   2HG   LYS 102           HG2      LYS 102  -1.865   7.227 -13.588
  823   1HD   LYS 102           HD1      LYS 102  -0.258   5.016 -13.647
  824   2HD   LYS 102           HD2      LYS 102  -1.662   4.325 -12.809
  825   1HE   LYS 102           HE1      LYS 102  -2.594   4.129 -14.891
  826   2HE   LYS 102           HE2      LYS 102  -2.839   5.912 -14.814
  827   1HZ   LYS 102           HZ1      LYS 102  -0.593   6.145 -15.761
  828   2HZ   LYS 102           HZ2      LYS 102  -0.503   4.458 -15.951
  829   3HZ   LYS 102           HZ3      LYS 102  -1.688   5.357 -16.813
  830    H    ALA 103           H        ALA 103  -1.408   9.792  -9.732
  831    HA   ALA 103           HA       ALA 103  -4.213   9.725 -10.006
  832   1HB   ALA 103           HB2      ALA 103  -2.264  11.231  -8.336
  833   2HB   ALA 103           HB3      ALA 103  -3.884  11.937  -8.515
  834   3HB   ALA 103           HB1      ALA 103  -3.688  10.312  -7.865
  835    H    ALA 104           H        ALA 104  -1.694  11.865 -11.251
  836    HA   ALA 104           HA       ALA 104  -1.860  13.078 -13.201
  837   1HB   ALA 104           HB3      ALA 104  -4.470  12.446 -13.236
  838   2HB   ALA 104           HB1      ALA 104  -4.634  14.123 -12.713
  839   3HB   ALA 104           HB2      ALA 104  -3.811  13.741 -14.235
  840    H    ALA 105           H        ALA 105  -0.328  14.239 -11.845
  841    HA   ALA 105           HA       ALA 105  -1.005  15.994  -9.776
  842   1HB   ALA 105           HB2      ALA 105   1.295  14.823 -10.419
  843   2HB   ALA 105           HB3      ALA 105   1.563  16.308 -11.332
  844   3HB   ALA 105           HB1      ALA 105   1.308  16.366  -9.575
  845    H    ASN 106           H        ASN 106   0.680  18.304 -10.409
  846    HA   ASN 106           HA       ASN 106  -0.744  20.265 -11.509
  847   1HB   ASN 106           HB1      ASN 106   1.316  21.430 -11.810
  848   2HB   ASN 106           HB2      ASN 106   1.731  20.179 -10.613
  849   1HD2  ASN 106          1HD2      ASN 106   3.879  18.388 -12.849
  850   2HD2  ASN 106          2HD2      ASN 106   2.956  18.272 -11.328
   
  No H/Q in entry =         850
  Start of MODEL   14
    1    H    MET   1           H        MET   1  10.764  17.143   4.932
    2    HA   MET   1           HA       MET   1   8.621  19.073   4.772
    3   1HB   MET   1           HB1      MET   1   9.779  17.927   2.186
    4   2HB   MET   1           HB2      MET   1   8.325  18.936   2.324
    5   1HG   MET   1           HG1      MET   1   9.803  20.637   1.852
    6   2HG   MET   1           HG2      MET   1  10.152  20.533   3.590
    7   1HE   MET   1           HE2      MET   1  11.076  19.012   0.125
    8   2HE   MET   1           HE3      MET   1  12.722  18.439   0.359
    9   3HE   MET   1           HE1      MET   1  11.361  17.605   1.158
   10    H    GLU   2           H        GLU   2   7.803  17.406   6.232
   11    HA   GLU   2           HA       GLU   2   6.005  16.158   6.550
   12   1HB   GLU   2           HB1      GLU   2   5.836  15.505   3.586
   13   2HB   GLU   2           HB2      GLU   2   4.521  15.624   4.799
   14   1HG   GLU   2           HG1      GLU   2   6.223  18.048   4.127
   15   2HG   GLU   2           HG2      GLU   2   4.876  17.568   3.058
   16    H    LYS   3           H        LYS   3   5.784  14.000   7.301
   17    HA   LYS   3           HA       LYS   3   7.308  11.890   5.912
   18   1HB   LYS   3           HB1      LYS   3   6.797  11.914   8.862
   19   2HB   LYS   3           HB2      LYS   3   7.879  10.849   7.945
   20   1HG   LYS   3           HG1      LYS   3   9.117  12.936   7.179
   21   2HG   LYS   3           HG2      LYS   3   8.218  13.835   8.439
   22   1HD   LYS   3           HD1      LYS   3  10.663  12.925   8.884
   23   2HD   LYS   3           HD2      LYS   3   9.441  12.834  10.175
   24   1HE   LYS   3           HE1      LYS   3   8.963  10.474   9.712
   25   2HE   LYS   3           HE2      LYS   3   9.962  10.572   8.211
   26   1HZ   LYS   3           HZ1      LYS   3  11.871  11.155   9.631
   27   2HZ   LYS   3           HZ2      LYS   3  10.888  10.824  10.997
   28   3HZ   LYS   3           HZ3      LYS   3  11.239   9.566   9.929
   29    H    LYS   4           H        LYS   4   5.982  10.338   4.959
   30    HA   LYS   4           HA       LYS   4   3.142  10.372   5.853
   31   1HB   LYS   4           HB1      LYS   4   4.307  10.936   3.130
   32   2HB   LYS   4           HB2      LYS   4   2.700  10.187   3.265
   33   1HG   LYS   4           HG1      LYS   4   3.621  12.853   4.410
   34   2HG   LYS   4           HG2      LYS   4   2.338  12.567   3.197
   35   1HD   LYS   4           HD1      LYS   4   1.225  11.281   5.267
   36   2HD   LYS   4           HD2      LYS   4   2.285  12.366   6.186
   37   1HE   LYS   4           HE1      LYS   4   0.810  13.633   3.867
   38   2HE   LYS   4           HE2      LYS   4  -0.198  13.140   5.270
   39   1HZ   LYS   4           HZ1      LYS   4   1.331  14.328   6.701
   40   2HZ   LYS   4           HZ2      LYS   4   2.118  14.933   5.307
   41   3HZ   LYS   4           HZ3      LYS   4   0.499  15.342   5.604
   42    H    HIS   5           H        HIS   5   1.851   8.603   5.296
   43    HA   HIS   5           HA       HIS   5   3.259   6.041   5.416
   44   1HB   HIS   5           HB1      HIS   5   0.373   6.743   6.052
   45   2HB   HIS   5           HB2      HIS   5   1.211   5.262   6.487
   46    HD1  HIS   5           HD1      HIS   5   0.103   7.094   8.833
   47    HD2  HIS   5           HD2      HIS   5   3.926   7.472   7.175
   48    HE1  HIS   5           HE1      HIS   5   1.622   8.322  10.585
   49    H    ILE   6           H        ILE   6   3.464   4.821   3.666
   50    HA   ILE   6           HA       ILE   6   1.286   4.436   1.755
   51    HB   ILE   6           HB       ILE   6   4.090   3.418   1.810
   52   1HG1  ILE   6          1HG1      ILE   6   2.960   4.515  -0.657
   53   2HG1  ILE   6          2HG1      ILE   6   2.877   5.689   0.677
   54   1HG2  ILE   6          3HG2      ILE   6   1.920   1.883   0.761
   55   2HG2  ILE   6          1HG2      ILE   6   3.153   2.366  -0.437
   56   3HG2  ILE   6          2HG2      ILE   6   3.582   1.538   1.080
   57   1HD1  ILE   6           HD3      ILE   6   5.485   4.745   0.831
   58   2HD1  ILE   6           HD1      ILE   6   5.059   4.625  -0.883
   59   3HD1  ILE   6           HD2      ILE   6   5.100   6.189  -0.051
   60    H    TYR   7           H        TYR   7  -0.360   3.578   3.127
   61    HA   TYR   7           HA       TYR   7  -0.003   0.852   4.263
   62   1HB   TYR   7           HB1      TYR   7  -2.599   2.426   4.058
   63   2HB   TYR   7           HB2      TYR   7  -2.234   0.924   4.893
   64    HD1  TYR   7           HD1      TYR   7   0.582   1.901   5.901
   65    HD2  TYR   7           HD2      TYR   7  -3.424   3.480   6.040
   66    HE1  TYR   7           HE1      TYR   7   1.193   3.422   7.776
   67    HE2  TYR   7           HE2      TYR   7  -2.996   4.111   8.463
   68    HH   TYR   7           HH       TYR   7  -1.416   5.100   9.673
   69    H    LEU   8           H        LEU   8  -0.953  -0.884   3.534
   70    HA   LEU   8           HA       LEU   8  -2.067  -1.120   0.772
   71    HB   LEU   8           HB1      LEU   8   0.477  -1.451   0.595
   72   2HB   LEU   8           HB2      LEU   8   0.449  -2.166   2.214
   73    HG   LEU   8           HG       LEU   8  -0.766  -3.648  -0.044
   74   1HD1  LEU   8          2HD1      LEU   8   2.001  -3.032  -0.303
   75   2HD1  LEU   8          3HD1      LEU   8   1.773  -4.711   0.091
   76   3HD1  LEU   8          1HD1      LEU   8   0.906  -3.965  -1.294
   77   1HD2  LEU   8          3HD2      LEU   8  -0.205  -3.786   2.829
   78   2HD2  LEU   8          1HD2      LEU   8  -0.994  -4.987   1.779
   79   3HD2  LEU   8          2HD2      LEU   8   0.765  -5.044   2.020
   80    H    PHE   9           H        PHE   9  -3.562  -2.924   0.756
   81    HA   PHE   9           HA       PHE   9  -4.101  -3.990   3.473
   82   1HB   PHE   9           HB1      PHE   9  -5.826  -2.527   1.495
   83   2HB   PHE   9           HB2      PHE   9  -6.483  -3.490   2.888
   84    HD1  PHE   9           HD2      PHE   9  -6.167  -2.776   5.185
   85    HD2  PHE   9           HD1      PHE   9  -5.019  -0.341   1.809
   86    HE1  PHE   9           HE2      PHE   9  -5.603  -0.882   6.728
   87    HE2  PHE   9           HE1      PHE   9  -5.101   1.661   3.318
   88    HZ   PHE   9           HZ       PHE   9  -4.681   1.222   5.782
   89    H    SER  10           H        SER  10  -4.238  -6.340   3.445
   90    HA   SER  10           HA       SER  10  -2.649  -7.432   1.538
   91   1HB   SER  10           HB1      SER  10  -3.040  -8.444   3.653
   92   2HB   SER  10           HB2      SER  10  -4.764  -8.845   3.197
   93    HG   SER  10           HG       SER  10  -3.208 -10.658   3.048
   94    H    SER  11           H        SER  11  -5.786  -9.098   1.655
   95    HA   SER  11           HA       SER  11  -7.222  -9.387  -0.212
   96   1HB   SER  11           HB1      SER  11  -5.443  -8.232  -1.811
   97   2HB   SER  11           HB2      SER  11  -4.784  -9.890  -2.018
   98    HG   SER  11           HG       SER  11  -6.498  -9.236  -3.539
   99    H    ALA  12           H        ALA  12  -4.395 -10.998   1.047
  100    HA   ALA  12           HA       ALA  12  -5.840 -13.333   1.612
  101   1HB   ALA  12           HB3      ALA  12  -5.212 -13.923  -0.815
  102   2HB   ALA  12           HB1      ALA  12  -3.514 -13.989  -0.276
  103   3HB   ALA  12           HB2      ALA  12  -4.734 -15.083   0.378
  104    H    GLY  13           H        GLY  13  -4.720 -11.836   3.407
  105   1HA   GLY  13           HA1      GLY  13  -3.469 -11.882   5.282
  106   2HA   GLY  13           HA2      GLY  13  -3.108 -13.589   4.846
  107    H    MET  14           H        MET  14  -1.196 -14.181   3.909
  108    HA   MET  14           HA       MET  14   1.014 -12.348   4.594
  109   1HB   MET  14           HB1      MET  14   0.705 -15.348   4.597
  110   2HB   MET  14           HB2      MET  14   2.310 -14.584   4.475
  111   1HG   MET  14           HG1      MET  14   1.392 -13.109   6.503
  112   2HG   MET  14           HG2      MET  14   0.448 -14.560   6.838
  113   1HE   MET  14           HE1      MET  14   1.017 -16.409   7.715
  114   2HE   MET  14           HE2      MET  14   2.544 -17.131   8.191
  115   3HE   MET  14           HE3      MET  14   1.867 -15.844   9.182
  116    H    SER  15           H        SER  15   0.306 -11.480   2.235
  117    HA   SER  15           HA       SER  15   2.855 -12.074   0.868
  118   1HB   SER  15           HB1      SER  15   1.295 -13.012  -0.680
  119   2HB   SER  15           HB2      SER  15   0.174 -11.624  -0.466
  120    HG   SER  15           HG       SER  15   1.465 -11.585  -2.450
  121    H    THR  16           H        THR  16   1.814 -10.231   2.936
  122    HA   THR  16           HA       THR  16   1.696  -7.572   1.755
  123    HB   THR  16           HB       THR  16   0.934  -7.227   4.403
  124    HG1  THR  16           HG1      THR  16  -0.747  -8.878   4.672
  125   1HG2  THR  16          1HG2      THR  16  -0.294  -6.839   1.930
  126   2HG2  THR  16          2HG2      THR  16  -1.488  -7.462   3.020
  127   3HG2  THR  16          3HG2      THR  16  -0.613  -6.033   3.516
  128    H    SER  17           H        SER  17   2.511  -8.916   5.024
  129    HA   SER  17           HA       SER  17   3.472  -6.556   5.973
  130   1HB   SER  17           HB1      SER  17   4.638  -8.212   7.710
  131   2HB   SER  17           HB2      SER  17   2.849  -8.182   7.561
  132    HG   SER  17           HG       SER  17   3.811 -10.321   7.598
  133    H    LEU  18           H        LEU  18   5.309  -9.249   4.415
  134    HA   LEU  18           HA       LEU  18   7.911  -8.289   5.196
  135   1HB   LEU  18           HB1      LEU  18   7.176 -10.754   5.035
  136   2HB   LEU  18           HB2      LEU  18   6.905 -10.543   3.292
  137    HG   LEU  18           HG       LEU  18   9.009 -11.737   4.340
  138   1HD1  LEU  18          2HD1      LEU  18   8.342 -11.490   1.867
  139   2HD1  LEU  18          3HD1      LEU  18   9.519 -10.233   1.869
  140   3HD1  LEU  18          1HD1      LEU  18   9.944 -11.934   2.373
  141   1HD2  LEU  18          3HD2      LEU  18   9.898  -9.596   5.490
  142   2HD2  LEU  18          1HD2      LEU  18  10.980 -10.490   4.449
  143   3HD2  LEU  18          2HD2      LEU  18  10.202  -8.995   3.855
  144    H    LEU  19           H        LEU  19   5.627  -7.516   2.730
  145    HA   LEU  19           HA       LEU  19   7.539  -6.858   0.648
  146   1HB   LEU  19           HB1      LEU  19   5.501  -7.604  -0.437
  147   2HB   LEU  19           HB2      LEU  19   4.630  -7.410   1.126
  148    HG   LEU  19           HG       LEU  19   4.053  -5.201   0.536
  149   1HD1  LEU  19          3HD1      LEU  19   6.346  -5.134  -0.987
  150   2HD1  LEU  19          1HD1      LEU  19   4.946  -4.934  -2.086
  151   3HD1  LEU  19          2HD1      LEU  19   5.318  -3.808  -0.767
  152   1HD2  LEU  19          2HD2      LEU  19   2.761  -7.135  -0.424
  153   2HD2  LEU  19          3HD2      LEU  19   2.665  -5.711  -1.460
  154   3HD2  LEU  19          1HD2      LEU  19   3.821  -6.995  -1.842
  155    H    VAL  20           H        VAL  20   5.415  -5.434   3.140
  156    HA   VAL  20           HA       VAL  20   6.048  -2.598   2.721
  157    HB   VAL  20           HB       VAL  20   4.540  -4.286   4.579
  158   1HG1  VAL  20          2HG1      VAL  20   5.712  -1.842   5.420
  159   2HG1  VAL  20          3HG1      VAL  20   4.010  -1.619   5.470
  160   3HG1  VAL  20          1HG1      VAL  20   4.710  -3.040   6.269
  161   1HG2  VAL  20          3HG2      VAL  20   3.898  -2.125   2.480
  162   2HG2  VAL  20          1HG2      VAL  20   3.245  -3.790   2.643
  163   3HG2  VAL  20          2HG2      VAL  20   2.684  -2.488   3.693
  164    H    SER  21           H        SER  21   7.723  -5.353   3.949
  165    HA   SER  21           HA       SER  21   8.758  -4.040   6.339
  166   1HB   SER  21           HB1      SER  21   8.977  -6.040   7.426
  167   2HB   SER  21           HB2      SER  21   7.601  -6.492   6.385
  168    HG   SER  21           HG       SER  21   9.409  -8.032   6.401
  169    H    LYS  22           H        LYS  22   9.615  -5.820   3.336
  170    HA   LYS  22           HA       LYS  22  12.426  -5.327   3.598
  171   1HB   LYS  22           HB1      LYS  22  11.843  -7.296   2.350
  172   2HB   LYS  22           HB2      LYS  22  10.677  -6.386   1.394
  173   1HG   LYS  22           HG1      LYS  22  12.357  -4.958   0.379
  174   2HG   LYS  22           HG2      LYS  22  13.671  -5.708   1.345
  175   1HD   LYS  22           HD1      LYS  22  13.250  -6.142  -1.227
  176   2HD   LYS  22           HD2      LYS  22  13.932  -7.445  -0.205
  177   1HE   LYS  22           HE1      LYS  22  10.990  -7.621  -0.051
  178   2HE   LYS  22           HE2      LYS  22  11.487  -7.414  -1.734
  179   1HZ   LYS  22           HZ1      LYS  22  13.094  -9.227  -1.317
  180   2HZ   LYS  22           HZ2      LYS  22  12.375  -9.470   0.213
  181   3HZ   LYS  22           HZ3      LYS  22  11.462  -9.684  -1.241
  182    H    MET  23           H        MET  23   9.617  -4.074   1.773
  183    HA   MET  23           HA       MET  23  10.577  -1.898   0.496
  184   1HB   MET  23           HB1      MET  23   7.999  -2.593   1.829
  185   2HB   MET  23           HB2      MET  23   8.252  -0.861   1.669
  186   1HG   MET  23           HG1      MET  23   9.061  -1.853  -0.827
  187   2HG   MET  23           HG2      MET  23   7.707  -2.947  -0.353
  188   1HE   MET  23           HE1      MET  23   5.782  -2.013   0.797
  189   2HE   MET  23           HE2      MET  23   4.787  -0.614   0.272
  190   3HE   MET  23           HE3      MET  23   4.914  -1.966  -0.775
  191    H    ARG  24           H        ARG  24   9.573  -2.011   4.012
  192    HA   ARG  24           HA       ARG  24  10.660   0.430   4.819
  193   1HB   ARG  24           HB1      ARG  24   9.954  -2.168   6.166
  194   2HB   ARG  24           HB2      ARG  24  10.989  -1.029   7.077
  195   1HG   ARG  24           HG1      ARG  24   9.275   0.599   7.097
  196   2HG   ARG  24           HG2      ARG  24   8.444  -0.106   5.732
  197   1HD   ARG  24           HD1      ARG  24   7.526  -1.843   6.984
  198   2HD   ARG  24           HD2      ARG  24   8.727  -1.669   8.297
  199    HE   ARG  24           HE       ARG  24   6.615   0.366   7.673
  200   1HH1  ARG  24          2HH1      ARG  24   7.806  -1.869   9.936
  201   2HH1  ARG  24          1HH1      ARG  24   7.100  -0.875  11.387
  202   1HH2  ARG  24          2HH2      ARG  24   5.748   1.315   9.407
  203   2HH2  ARG  24          1HH2      ARG  24   6.432   0.886  11.130
  204    H    ALA  25           H        ALA  25  12.182  -2.844   4.633
  205    HA   ALA  25           HA       ALA  25  14.796  -2.334   5.329
  206   1HB   ALA  25           HB3      ALA  25  13.989  -4.562   4.604
  207   2HB   ALA  25           HB1      ALA  25  13.831  -3.953   2.943
  208   3HB   ALA  25           HB2      ALA  25  15.403  -4.127   3.669
  209    H    GLN  26           H        GLN  26  13.412  -1.800   2.016
  210    HA   GLN  26           HA       GLN  26  15.322  -0.179   0.841
  211   1HB   GLN  26           HB1      GLN  26  12.240  -0.087   1.008
  212   2HB   GLN  26           HB2      GLN  26  13.150   1.163   0.057
  213   1HG   GLN  26           HG1      GLN  26  11.985  -1.115  -0.945
  214   2HG   GLN  26           HG2      GLN  26  13.268  -0.140  -1.723
  215   1HE2  GLN  26          1HE2      GLN  26  13.943  -3.940  -0.387
  216   2HE2  GLN  26          2HE2      GLN  26  12.402  -3.108  -0.037
  217    H    ALA  27           H        ALA  27  12.571   0.875   2.953
  218    HA   ALA  27           HA       ALA  27  13.072   3.606   2.659
  219   1HB   ALA  27           HB1      ALA  27  10.919   2.413   3.314
  220   2HB   ALA  27           HB2      ALA  27  11.454   2.496   4.987
  221   3HB   ALA  27           HB3      ALA  27  11.254   3.970   4.051
  222    H    GLU  28           H        GLU  28  14.505   1.232   4.839
  223    HA   GLU  28           HA       GLU  28  15.580   3.017   6.903
  224   1HB   GLU  28           HB1      GLU  28  14.391   1.148   7.622
  225   2HB   GLU  28           HB2      GLU  28  15.149   0.136   6.343
  226   1HG   GLU  28           HG1      GLU  28  16.203  -0.389   8.409
  227   2HG   GLU  28           HG2      GLU  28  17.370   0.488   7.410
  228    H    LYS  29           H        LYS  29  16.398   0.719   4.211
  229    HA   LYS  29           HA       LYS  29  19.131   0.781   4.006
  230   1HB   LYS  29           HB1      LYS  29  17.429  -0.407   2.586
  231   2HB   LYS  29           HB2      LYS  29  17.277   1.157   1.723
  232   1HG   LYS  29           HG1      LYS  29  19.426   1.152   0.972
  233   2HG   LYS  29           HG2      LYS  29  20.024   0.110   2.264
  234   1HD   LYS  29           HD1      LYS  29  19.855  -0.777  -0.267
  235   2HD   LYS  29           HD2      LYS  29  19.605  -1.888   1.046
  236   1HE   LYS  29           HE1      LYS  29  17.047  -1.308   0.879
  237   2HE   LYS  29           HE2      LYS  29  17.449  -0.403  -0.565
  238   1HZ   LYS  29           HZ1      LYS  29  18.534  -2.466  -1.385
  239   2HZ   LYS  29           HZ2      LYS  29  17.953  -3.279  -0.032
  240   3HZ   LYS  29           HZ3      LYS  29  16.854  -2.618  -1.183
  241    H    TYR  30           H        TYR  30  16.710   3.244   3.321
  242    HA   TYR  30           HA       TYR  30  18.496   4.827   1.641
  243   1HB   TYR  30           HB1      TYR  30  15.470   4.707   1.822
  244   2HB   TYR  30           HB2      TYR  30  16.353   5.702   0.628
  245    HD1  TYR  30           HD2      TYR  30  18.462   3.367   0.178
  246    HD2  TYR  30           HD1      TYR  30  14.160   3.354   0.332
  247    HE1  TYR  30           HE2      TYR  30  18.413   1.591  -1.603
  248    HE2  TYR  30           HE1      TYR  30  14.074   1.855  -1.703
  249    HH   TYR  30           HH       TYR  30  17.081   0.244  -2.797
  250    H    GLU  31           H        GLU  31  15.830   4.840   3.937
  251    HA   GLU  31           HA       GLU  31  15.524   6.052   5.794
  252   1HB   GLU  31           HB1      GLU  31  17.854   7.063   5.615
  253   2HB   GLU  31           HB2      GLU  31  17.176   8.302   4.555
  254   1HG   GLU  31           HG1      GLU  31  15.457   8.540   6.676
  255   2HG   GLU  31           HG2      GLU  31  16.926   8.054   7.560
  256    H    VAL  32           H        VAL  32  14.295   6.086   2.971
  257    HA   VAL  32           HA       VAL  32  13.449   8.525   2.046
  258    HB   VAL  32           HB       VAL  32  12.091   5.841   1.896
  259   1HG1  VAL  32          3HG1      VAL  32  11.190   8.300   0.532
  260   2HG1  VAL  32          1HG1      VAL  32  11.408   6.843  -0.394
  261   3HG1  VAL  32          2HG1      VAL  32  10.364   6.895   1.057
  262   1HG2  VAL  32          2HG2      VAL  32  14.642   6.778   0.740
  263   2HG2  VAL  32          3HG2      VAL  32  13.875   5.218   0.699
  264   3HG2  VAL  32          1HG2      VAL  32  13.425   6.429  -0.515
  265    HA   PRO  33           HA       PRO  33  10.768   9.886   5.545
  266   1HB   PRO  33           HB1      PRO  33  10.566  11.893   3.280
  267   2HB   PRO  33           HB2      PRO  33  10.361  12.204   5.007
  268   1HG   PRO  33           HG1      PRO  33  12.854  12.513   3.999
  269   2HG   PRO  33           HG2      PRO  33  12.672  11.587   5.508
  270   1HD   PRO  33           HD2      PRO  33  13.040  10.560   2.620
  271   2HD   PRO  33           HD1      PRO  33  13.773   9.911   4.109
  272    H    VAL  34           H        VAL  34   9.643   7.733   4.585
  273    HA   VAL  34           HA       VAL  34   6.881   8.646   4.869
  274    HB   VAL  34           HB       VAL  34   5.841   7.326   3.238
  275   1HG1  VAL  34          1HG1      VAL  34   7.561   9.494   2.435
  276   2HG1  VAL  34          2HG1      VAL  34   6.893   8.539   1.102
  277   3HG1  VAL  34          3HG1      VAL  34   5.788   9.277   2.247
  278   1HG2  VAL  34          3HG2      VAL  34   8.622   6.246   2.589
  279   2HG2  VAL  34          1HG2      VAL  34   6.981   5.491   2.595
  280   3HG2  VAL  34          2HG2      VAL  34   7.535   6.481   1.242
  281    H    ILE  35           H        ILE  35   5.483   6.573   5.222
  282    HA   ILE  35           HA       ILE  35   6.905   4.397   6.578
  283    HB   ILE  35           HB       ILE  35   4.460   5.276   7.978
  284   1HG1  ILE  35          1HG1      ILE  35   7.249   6.252   8.799
  285   2HG1  ILE  35          2HG1      ILE  35   6.280   7.261   7.708
  286   1HG2  ILE  35          1HG2      ILE  35   6.539   3.422   8.408
  287   2HG2  ILE  35          2HG2      ILE  35   6.044   4.340   9.836
  288   3HG2  ILE  35          3HG2      ILE  35   4.850   3.396   8.953
  289   1HD1  ILE  35           HD1      ILE  35   4.608   6.512   9.848
  290   2HD1  ILE  35           HD2      ILE  35   6.116   7.059  10.613
  291   3HD1  ILE  35           HD3      ILE  35   5.259   8.136   9.558
  292    H    ILE  36           H        ILE  36   6.492   2.715   5.338
  293    HA   ILE  36           HA       ILE  36   4.098   1.969   3.909
  294    HB   ILE  36           HB       ILE  36   6.464   0.393   4.403
  295   1HG1  ILE  36          1HG1      ILE  36   6.640   1.740   1.809
  296   2HG1  ILE  36          2HG1      ILE  36   6.303   2.980   3.060
  297   1HG2  ILE  36          3HG2      ILE  36   4.246   0.144   2.494
  298   2HG2  ILE  36          1HG2      ILE  36   5.840  -0.393   2.048
  299   3HG2  ILE  36          2HG2      ILE  36   5.028  -1.023   3.524
  300   1HD1  ILE  36           HD3      ILE  36   8.466   1.768   4.188
  301   2HD1  ILE  36           HD1      ILE  36   8.671   1.388   2.445
  302   3HD1  ILE  36           HD2      ILE  36   8.635   3.054   3.062
  303    H    GLU  37           H        GLU  37   2.346   1.312   5.324
  304    HA   GLU  37           HA       GLU  37   3.047  -1.001   7.023
  305   1HB   GLU  37           HB1      GLU  37   1.195   1.230   7.770
  306   2HB   GLU  37           HB2      GLU  37   0.756  -0.428   8.221
  307   1HG   GLU  37           HG1      GLU  37   3.450   0.898   8.819
  308   2HG   GLU  37           HG2      GLU  37   2.087   0.745   9.952
  309    H    ALA  38           H        ALA  38   1.860  -2.859   6.813
  310    HA   ALA  38           HA       ALA  38   0.210  -2.972   4.398
  311   1HB   ALA  38           HB1      ALA  38   2.703  -4.186   4.986
  312   2HB   ALA  38           HB2      ALA  38   1.526  -5.499   4.905
  313   3HB   ALA  38           HB3      ALA  38   1.688  -4.410   3.536
  314    H    PHE  39           H        PHE  39  -1.791  -3.798   4.704
  315    HA   PHE  39           HA       PHE  39  -2.649  -4.504   7.458
  316   1HB   PHE  39           HB1      PHE  39  -3.541  -2.540   5.416
  317   2HB   PHE  39           HB2      PHE  39  -4.727  -3.296   6.512
  318    HD1  PHE  39           HD2      PHE  39  -1.404  -1.551   6.475
  319    HD2  PHE  39           HD1      PHE  39  -5.220  -2.120   8.414
  320    HE1  PHE  39           HE2      PHE  39  -0.955   0.436   7.965
  321    HE2  PHE  39           HE1      PHE  39  -4.682  -0.256   9.994
  322    HZ   PHE  39           HZ       PHE  39  -2.232   0.464  10.131
  323    HA   PRO  40           HA       PRO  40  -5.815  -6.985   5.230
  324    HB   PRO  40           HB2      PRO  40  -6.268  -8.424   7.103
  325   1HB   PRO  40           HB1      PRO  40  -7.692  -7.394   7.130
  326   1HG   PRO  40           HG1      PRO  40  -6.834  -6.131   8.955
  327   2HG   PRO  40           HG2      PRO  40  -5.689  -7.463   9.222
  328   1HD   PRO  40           HD2      PRO  40  -5.088  -4.741   8.358
  329   2HD   PRO  40           HD1      PRO  40  -3.946  -6.096   8.581
  330    H    GLU  41           H        GLU  41  -6.824  -5.801   3.789
  331    HA   GLU  41           HA       GLU  41  -8.421  -3.660   3.812
  332   1HB   GLU  41           HB1      GLU  41  -8.313  -5.045   1.757
  333   2HB   GLU  41           HB2      GLU  41  -9.035  -6.421   2.607
  334   1HG   GLU  41           HG1      GLU  41 -11.086  -5.497   2.766
  335   2HG   GLU  41           HG2      GLU  41 -10.537  -3.838   2.484
  336    H    THR  42           H        THR  42  -9.254  -3.280   5.762
  337    HA   THR  42           HA       THR  42 -11.893  -3.729   6.289
  338    HB   THR  42           HB       THR  42 -12.093  -5.712   7.238
  339    HG1  THR  42           HG1      THR  42 -11.413  -5.732   9.577
  340   1HG2  THR  42          3HG2      THR  42  -9.281  -5.686   6.950
  341   2HG2  THR  42          1HG2      THR  42  -9.874  -6.632   8.354
  342   3HG2  THR  42          2HG2      THR  42 -10.435  -6.991   6.703
  343    H    LEU  43           H        LEU  43  -8.692  -2.888   7.473
  344    HA   LEU  43           HA       LEU  43  -9.612  -1.139   9.646
  345   1HB   LEU  43           HB1      LEU  43  -7.116  -2.594   8.625
  346   2HB   LEU  43           HB2      LEU  43  -6.814  -1.059   9.516
  347    HG   LEU  43           HG       LEU  43  -7.955  -2.232  11.498
  348   1HD1  LEU  43          2HD1      LEU  43  -8.420  -4.394   9.749
  349   2HD1  LEU  43          3HD1      LEU  43  -7.168  -4.829  10.929
  350   3HD1  LEU  43          1HD1      LEU  43  -8.739  -4.169  11.462
  351   1HD2  LEU  43          3HD2      LEU  43  -5.244  -2.702  10.332
  352   2HD2  LEU  43          1HD2      LEU  43  -5.689  -1.795  11.770
  353   3HD2  LEU  43          2HD2      LEU  43  -5.752  -3.562  11.790
  354    H    ALA  44           H        ALA  44  -9.085  -1.142   6.286
  355    HA   ALA  44           HA       ALA  44  -7.124   0.807   5.942
  356   1HB   ALA  44           HB2      ALA  44  -8.249  -0.990   4.161
  357   2HB   ALA  44           HB3      ALA  44  -9.386   0.308   3.894
  358   3HB   ALA  44           HB1      ALA  44  -7.692   0.533   3.508
  359    H    GLY  45           H        GLY  45 -10.645   0.911   5.955
  360   1HA   GLY  45           HA1      GLY  45 -11.209   3.353   4.964
  361   2HA   GLY  45           HA2      GLY  45 -12.050   2.673   6.405
  362    H    GLU  46           H        GLU  46 -10.313   2.763   8.376
  363    HA   GLU  46           HA       GLU  46 -10.081   5.557   9.090
  364   1HB   GLU  46           HB1      GLU  46  -8.604   3.633  10.824
  365   2HB   GLU  46           HB2      GLU  46  -9.839   4.802  11.258
  366   1HG   GLU  46           HG1      GLU  46 -11.424   2.975   9.991
  367   2HG   GLU  46           HG2      GLU  46 -10.082   1.904  10.398
  368    H    LYS  47           H        LYS  47  -7.901   3.067   7.699
  369    HA   LYS  47           HA       LYS  47  -5.479   4.391   8.622
  370   1HB   LYS  47           HB1      LYS  47  -5.976   1.767   7.119
  371   2HB   LYS  47           HB2      LYS  47  -4.371   2.408   7.456
  372   1HG   LYS  47           HG1      LYS  47  -5.975   0.802   9.102
  373   2HG   LYS  47           HG2      LYS  47  -4.431   1.609   9.550
  374   1HD   LYS  47           HD1      LYS  47  -7.033   3.066   9.950
  375   2HD   LYS  47           HD2      LYS  47  -6.550   1.801  11.091
  376   1HE   LYS  47           HE1      LYS  47  -4.209   2.933  11.077
  377   2HE   LYS  47           HE2      LYS  47  -5.077   4.385  10.467
  378   1HZ   LYS  47           HZ1      LYS  47  -6.623   4.102  12.366
  379   2HZ   LYS  47           HZ2      LYS  47  -5.599   2.916  12.948
  380   3HZ   LYS  47           HZ3      LYS  47  -5.032   4.505  12.817
  381    H    GLY  48           H        GLY  48  -5.804   2.726   5.487
  382   1HA   GLY  48           HA1      GLY  48  -4.803   4.233   3.615
  383   2HA   GLY  48           HA2      GLY  48  -6.452   3.560   3.406
  384    H    GLN  49           H        GLN  49  -7.759   5.366   5.420
  385    HA   GLN  49           HA       GLN  49  -8.064   7.842   4.176
  386   1HB   GLN  49           HB1      GLN  49  -9.601   6.703   5.791
  387   2HB   GLN  49           HB2      GLN  49  -8.416   6.976   7.071
  388   1HG   GLN  49           HG1      GLN  49  -8.977   9.531   6.023
  389   2HG   GLN  49           HG2      GLN  49 -10.558   8.654   5.976
  390   1HE2  GLN  49          1HE2      GLN  49 -10.483   8.131   9.605
  391   2HE2  GLN  49          2HE2      GLN  49 -10.773   7.175   8.186
  392    H    ASN  50           H        ASN  50  -6.566   7.123   7.398
  393    HA   ASN  50           HA       ASN  50  -5.198   9.424   8.013
  394   1HB   ASN  50           HB1      ASN  50  -5.049   6.611   8.712
  395   2HB   ASN  50           HB2      ASN  50  -3.496   7.458   8.901
  396   1HD2  ASN  50          1HD2      ASN  50  -6.711   8.331  11.317
  397   2HD2  ASN  50          2HD2      ASN  50  -6.701   6.871  10.250
  398    H    ALA  51           H        ALA  51  -4.243   6.860   5.720
  399    HA   ALA  51           HA       ALA  51  -1.503   7.184   5.527
  400   1HB   ALA  51           HB1      ALA  51  -3.370   6.302   3.329
  401   2HB   ALA  51           HB2      ALA  51  -1.592   6.161   3.351
  402   3HB   ALA  51           HB3      ALA  51  -2.589   5.301   4.539
  403    H    ASP  52           H        ASP  52  -0.445   7.889   3.346
  404    HA   ASP  52           HA       ASP  52  -1.485  10.374   2.205
  405   1HB   ASP  52           HB1      ASP  52   0.872  10.486   2.857
  406   2HB   ASP  52           HB2      ASP  52   1.241   8.968   2.037
  407    H    VAL  53           H        VAL  53  -0.976   6.971   1.633
  408    HA   VAL  53           HA       VAL  53  -2.458   7.030  -0.847
  409    HB   VAL  53           HB       VAL  53  -0.131   7.520  -1.588
  410   1HG1  VAL  53          3HG1      VAL  53   1.080   6.081   0.068
  411   2HG1  VAL  53          1HG1      VAL  53   0.519   4.739  -0.928
  412   3HG1  VAL  53          2HG1      VAL  53   1.606   5.988  -1.599
  413   1HG2  VAL  53          1HG2      VAL  53  -1.688   5.136  -2.544
  414   2HG2  VAL  53          2HG2      VAL  53  -1.405   6.608  -3.414
  415   3HG2  VAL  53          3HG2      VAL  53  -0.093   5.430  -3.270
  416    H    VAL  54           H        VAL  54  -3.212   4.834  -1.432
  417    HA   VAL  54           HA       VAL  54  -3.060   2.892   0.782
  418    HB   VAL  54           HB       VAL  54  -5.552   3.752  -0.731
  419   1HG1  VAL  54          2HG1      VAL  54  -5.233   1.529   1.150
  420   2HG1  VAL  54          3HG1      VAL  54  -6.711   2.487   1.294
  421   3HG1  VAL  54          1HG1      VAL  54  -6.300   1.859  -0.289
  422   1HG2  VAL  54          3HG2      VAL  54  -4.333   4.768   1.805
  423   2HG2  VAL  54          1HG2      VAL  54  -5.244   5.585   0.536
  424   3HG2  VAL  54          2HG2      VAL  54  -6.112   4.603   1.704
  425    H    LEU  55           H        LEU  55  -2.701   0.746  -0.010
  426    HA   LEU  55           HA       LEU  55  -3.212   0.110  -2.832
  427   1HB   LEU  55           HB1      LEU  55  -1.102  -0.926  -0.820
  428   2HB   LEU  55           HB2      LEU  55  -1.463  -1.675  -2.432
  429    HG   LEU  55           HG       LEU  55  -0.705   1.065  -2.651
  430   1HD1  LEU  55          3HD1      LEU  55   0.430   0.194  -0.464
  431   2HD1  LEU  55          1HD1      LEU  55   1.632  -0.104  -1.728
  432   3HD1  LEU  55          2HD1      LEU  55   1.054   1.513  -1.418
  433   1HD2  LEU  55          3HD2      LEU  55  -0.644  -1.062  -4.280
  434   2HD2  LEU  55          1HD2      LEU  55   0.585   0.207  -4.389
  435   3HD2  LEU  55          2HD2      LEU  55   0.924  -1.277  -3.527
  436    H    LEU  56           H        LEU  56  -4.676  -1.558  -3.166
  437    HA   LEU  56           HA       LEU  56  -5.282  -3.445  -0.936
  438   1HB   LEU  56           HB1      LEU  56  -7.035  -1.555  -2.511
  439   2HB   LEU  56           HB2      LEU  56  -7.724  -3.204  -2.519
  440    HG   LEU  56           HG       LEU  56  -8.754  -2.130  -0.899
  441   1HD1  LEU  56          2HD1      LEU  56  -6.746  -3.863   0.467
  442   2HD1  LEU  56          3HD1      LEU  56  -7.768  -2.855   1.358
  443   3HD1  LEU  56          1HD1      LEU  56  -8.510  -4.004   0.185
  444   1HD2  LEU  56          2HD2      LEU  56  -5.959  -0.990  -0.267
  445   2HD2  LEU  56          3HD2      LEU  56  -7.311  -0.071  -0.901
  446   3HD2  LEU  56          1HD2      LEU  56  -7.325  -0.643   0.793
  447    H    GLY  57           H        GLY  57  -4.806  -5.564  -1.529
  448   1HA   GLY  57           HA1      GLY  57  -3.058  -6.046  -3.453
  449   2HA   GLY  57           HA2      GLY  57  -4.045  -7.306  -2.648
  450    HA   PRO  58           HA       PRO  58  -5.016  -6.946  -7.241
  451   1HB   PRO  58           HB1      PRO  58  -3.376  -8.655  -8.462
  452   2HB   PRO  58           HB2      PRO  58  -2.705  -7.127  -7.877
  453   1HG   PRO  58           HG1      PRO  58  -2.742  -9.936  -6.627
  454   2HG   PRO  58           HG2      PRO  58  -1.379  -8.774  -6.607
  455   1HD   PRO  58           HD2      PRO  58  -3.218  -9.232  -4.457
  456   2HD   PRO  58           HD1      PRO  58  -2.205  -7.775  -4.600
  457    H    GLN  59           H        GLN  59  -5.547  -9.382  -5.162
  458    HA   GLN  59           HA       GLN  59  -7.668 -10.396  -6.900
  459   1HB   GLN  59           HB1      GLN  59  -7.552 -11.010  -3.933
  460   2HB   GLN  59           HB2      GLN  59  -7.908 -12.130  -5.255
  461   1HG   GLN  59           HG1      GLN  59  -5.672 -12.730  -5.507
  462   2HG   GLN  59           HG2      GLN  59  -5.052 -11.166  -4.983
  463   1HE2  GLN  59          1HE2      GLN  59  -4.479 -12.251  -1.741
  464   2HE2  GLN  59          2HE2      GLN  59  -3.898 -11.312  -3.127
  465    H    ILE  60           H        ILE  60  -6.817  -7.852  -4.765
  466    HA   ILE  60           HA       ILE  60  -9.583  -7.376  -3.827
  467    HB   ILE  60           HB       ILE  60  -8.021  -8.325  -2.019
  468   1HG1  ILE  60          1HG1      ILE  60 -10.299  -7.848  -1.774
  469   2HG1  ILE  60          2HG1      ILE  60  -9.511  -6.853  -0.522
  470   1HG2  ILE  60          2HG2      ILE  60  -6.406  -6.186  -2.293
  471   2HG2  ILE  60          3HG2      ILE  60  -7.493  -5.652  -1.007
  472   3HG2  ILE  60          1HG2      ILE  60  -6.669  -7.176  -0.836
  473   1HD1  ILE  60           HD2      ILE  60  -9.673  -4.876  -1.968
  474   2HD1  ILE  60           HD3      ILE  60 -10.498  -5.880  -3.138
  475   3HD1  ILE  60           HD1      ILE  60 -11.206  -5.655  -1.506
  476    H    ALA  61           H        ALA  61  -8.845  -6.407  -6.120
  477    HA   ALA  61           HA       ALA  61  -7.478  -3.816  -6.024
  478   1HB   ALA  61           HB2      ALA  61  -6.838  -5.671  -7.707
  479   2HB   ALA  61           HB3      ALA  61  -8.439  -5.396  -8.378
  480   3HB   ALA  61           HB1      ALA  61  -7.202  -4.098  -8.387
  481    H    TYR  62           H        TYR  62 -10.540  -4.930  -5.638
  482    HA   TYR  62           HA       TYR  62 -11.955  -3.730  -7.841
  483   1HB   TYR  62           HB1      TYR  62 -13.678  -5.262  -7.432
  484   2HB   TYR  62           HB2      TYR  62 -12.145  -6.184  -7.320
  485    HD1  TYR  62           HD1      TYR  62 -11.196  -6.593  -4.934
  486    HD2  TYR  62           HD2      TYR  62 -15.062  -4.862  -5.542
  487    HE1  TYR  62           HE1      TYR  62 -11.936  -7.419  -2.686
  488    HE2  TYR  62           HE2      TYR  62 -16.031  -6.333  -3.716
  489    HH   TYR  62           HH       TYR  62 -15.483  -7.360  -1.842
  490    H    MET  63           H        MET  63 -11.351  -3.629  -4.408
  491    HA   MET  63           HA       MET  63 -13.841  -2.570  -3.507
  492   1HB   MET  63           HB1      MET  63 -11.387  -3.660  -2.356
  493   2HB   MET  63           HB2      MET  63 -12.130  -2.372  -1.368
  494   1HG   MET  63           HG1      MET  63 -14.301  -3.940  -2.285
  495   2HG   MET  63           HG2      MET  63 -13.040  -5.105  -1.816
  496   1HE   MET  63           HE1      MET  63 -15.209  -5.645  -0.854
  497   2HE   MET  63           HE2      MET  63 -15.224  -5.750   0.926
  498   3HE   MET  63           HE3      MET  63 -16.242  -4.561   0.080
  499    H    LEU  64           H        LEU  64 -11.659  -1.070  -5.341
  500    HA   LEU  64           HA       LEU  64 -10.557   1.150  -4.070
  501   1HB   LEU  64           HB1      LEU  64  -9.890   0.759  -6.380
  502   2HB   LEU  64           HB2      LEU  64 -11.548   0.359  -6.895
  503    HG   LEU  64           HG       LEU  64 -10.717   2.280  -8.010
  504   1HD1  LEU  64          3HD1      LEU  64 -13.182   2.122  -7.261
  505   2HD1  LEU  64          1HD1      LEU  64 -12.706   3.648  -6.416
  506   3HD1  LEU  64          2HD1      LEU  64 -12.610   3.502  -8.157
  507   1HD2  LEU  64          3HD2      LEU  64 -10.252   3.415  -5.227
  508   2HD2  LEU  64          1HD2      LEU  64  -9.141   3.335  -6.620
  509   3HD2  LEU  64          2HD2      LEU  64 -10.521   4.442  -6.599
  510    HA   PRO  65           HA       PRO  65 -14.592   3.395  -5.271
  511   1HB   PRO  65           HB1      PRO  65 -16.911   1.529  -5.325
  512   2HB   PRO  65           HB2      PRO  65 -16.304   2.632  -6.603
  513   1HG   PRO  65           HG1      PRO  65 -15.962  -0.203  -6.643
  514   2HG   PRO  65           HG2      PRO  65 -14.890   0.922  -7.526
  515   1HD   PRO  65           HD2      PRO  65 -14.493  -0.476  -4.820
  516   2HD   PRO  65           HD1      PRO  65 -13.291  -0.143  -6.069
  517    H    GLU  66           H        GLU  66 -14.999   0.896  -2.915
  518    HA   GLU  66           HA       GLU  66 -16.902   2.512  -1.343
  519   1HB   GLU  66           HB1      GLU  66 -17.812   0.564  -0.652
  520   2HB   GLU  66           HB2      GLU  66 -16.883  -0.181  -1.958
  521   1HG   GLU  66           HG1      GLU  66 -15.012  -0.498  -0.065
  522   2HG   GLU  66           HG2      GLU  66 -16.351  -0.135   1.037
  523    H    ILE  67           H        ILE  67 -13.525   1.306  -1.349
  524    HA   ILE  67           HA       ILE  67 -12.586   2.140   1.095
  525    HB   ILE  67           HB       ILE  67 -11.144   2.296  -1.488
  526   1HG1  ILE  67          1HG1      ILE  67 -12.029  -0.047   0.092
  527   2HG1  ILE  67          2HG1      ILE  67 -11.306   0.026  -1.513
  528   1HG2  ILE  67          1HG2      ILE  67 -10.017   3.600   0.030
  529   2HG2  ILE  67          2HG2      ILE  67  -9.861   2.234   1.181
  530   3HG2  ILE  67          3HG2      ILE  67  -9.065   2.151  -0.357
  531   1HD1  ILE  67           HD2      ILE  67  -9.534   0.177   0.913
  532   2HD1  ILE  67           HD3      ILE  67 -10.274  -1.310   0.396
  533   3HD1  ILE  67           HD1      ILE  67  -9.314  -0.317  -0.780
  534    H    GLN  68           H        GLN  68 -13.412   3.677  -1.968
  535    HA   GLN  68           HA       GLN  68 -12.506   6.346  -1.563
  536   1HB   GLN  68           HB1      GLN  68 -14.428   4.819  -3.374
  537   2HB   GLN  68           HB2      GLN  68 -14.423   6.607  -3.468
  538   1HG   GLN  68           HG1      GLN  68 -12.674   4.697  -4.702
  539   2HG   GLN  68           HG2      GLN  68 -12.779   6.455  -4.941
  540   1HE2  GLN  68          1HE2      GLN  68 -10.055   7.254  -2.881
  541   2HE2  GLN  68          2HE2      GLN  68 -11.149   7.801  -4.131
  542    H    ARG  69           H        ARG  69 -15.656   4.630  -1.149
  543    HA   ARG  69           HA       ARG  69 -17.323   6.874  -0.844
  544   1HB   ARG  69           HB1      ARG  69 -17.644   3.942  -0.244
  545   2HB   ARG  69           HB2      ARG  69 -18.944   5.115   0.003
  546   1HG   ARG  69           HG1      ARG  69 -17.913   5.583  -2.630
  547   2HG   ARG  69           HG2      ARG  69 -18.104   3.823  -2.472
  548   1HD   ARG  69           HD1      ARG  69 -20.199   6.018  -2.176
  549   2HD   ARG  69           HD2      ARG  69 -20.194   4.608  -3.293
  550    HE   ARG  69           HE       ARG  69 -20.166   3.345  -0.894
  551   1HH1  ARG  69          2HH1      ARG  69 -22.162   5.843  -2.057
  552   2HH1  ARG  69          1HH1      ARG  69 -23.630   5.250  -0.997
  553   1HH2  ARG  69          2HH2      ARG  69 -21.874   2.710   0.178
  554   2HH2  ARG  69          1HH2      ARG  69 -23.391   3.825   0.256
  555    H    LEU  70           H        LEU  70 -15.313   5.010   1.304
  556    HA   LEU  70           HA       LEU  70 -16.538   6.054   3.809
  557   1HB   LEU  70           HB1      LEU  70 -16.875   3.665   3.778
  558   2HB   LEU  70           HB2      LEU  70 -15.335   3.356   2.909
  559    HG   LEU  70           HG       LEU  70 -15.490   4.117   5.801
  560   1HD1  LEU  70          3HD1      LEU  70 -16.655   1.964   5.015
  561   2HD1  LEU  70          1HD1      LEU  70 -14.971   1.363   5.159
  562   3HD1  LEU  70          2HD1      LEU  70 -15.805   2.044   6.554
  563   1HD2  LEU  70          3HD2      LEU  70 -13.344   4.056   3.965
  564   2HD2  LEU  70          1HD2      LEU  70 -13.266   4.013   5.790
  565   3HD2  LEU  70          2HD2      LEU  70 -13.282   2.516   4.799
  566    H    LEU  71           H        LEU  71 -13.723   6.014   1.695
  567    HA   LEU  71           HA       LEU  71 -12.500   7.968   3.378
  568   1HB   LEU  71           HB1      LEU  71 -10.459   6.736   3.842
  569   2HB   LEU  71           HB2      LEU  71 -11.637   5.369   3.852
  570    HG   LEU  71           HG       LEU  71 -10.736   5.114   1.387
  571   1HD1  LEU  71          3HD1      LEU  71  -9.149   7.231   2.181
  572   2HD1  LEU  71          1HD1      LEU  71  -8.167   5.746   1.972
  573   3HD1  LEU  71          2HD1      LEU  71  -9.063   6.353   0.634
  574   1HD2  LEU  71          2HD2      LEU  71  -9.404   4.320   4.005
  575   2HD2  LEU  71          3HD2      LEU  71 -10.319   3.286   2.883
  576   3HD2  LEU  71          1HD2      LEU  71  -8.734   3.927   2.410
  577    HA   PRO  72           HA       PRO  72 -13.179   8.645  -0.975
  578   1HB   PRO  72           HB1      PRO  72 -13.494  11.318  -1.012
  579   2HB   PRO  72           HB2      PRO  72 -14.629  10.179  -0.283
  580   1HG   PRO  72           HG1      PRO  72 -12.312  11.695   1.141
  581   2HG   PRO  72           HG2      PRO  72 -14.041  11.739   1.542
  582   1HD   PRO  72           HD2      PRO  72 -12.452   9.960   2.832
  583   2HD   PRO  72           HD1      PRO  72 -14.024   9.375   2.234
  584    H    ASN  73           H        ASN  73 -11.629  11.704  -0.932
  585    HA   ASN  73           HA       ASN  73 -10.847  10.967  -3.631
  586   1HB   ASN  73           HB1      ASN  73 -11.344  13.075  -3.929
  587   2HB   ASN  73           HB2      ASN  73 -11.358  13.410  -2.165
  588   1HD2  ASN  73          1HD2      ASN  73  -8.131  14.907  -2.079
  589   2HD2  ASN  73          2HD2      ASN  73  -9.409  14.189  -1.088
  590    H    LYS  74           H        LYS  74  -9.215  10.323  -0.749
  591    HA   LYS  74           HA       LYS  74  -6.557  10.873  -1.288
  592   1HB   LYS  74           HB1      LYS  74  -7.810   8.446   0.035
  593   2HB   LYS  74           HB2      LYS  74  -6.105   8.909   0.212
  594   1HG   LYS  74           HG1      LYS  74  -8.278  10.921   0.802
  595   2HG   LYS  74           HG2      LYS  74  -7.825   9.712   2.018
  596   1HD   LYS  74           HD1      LYS  74  -5.594  11.249   0.810
  597   2HD   LYS  74           HD2      LYS  74  -6.760  12.203   1.781
  598   1HE   LYS  74           HE1      LYS  74  -6.333   9.997   3.445
  599   2HE   LYS  74           HE2      LYS  74  -4.729  10.235   2.727
  600   1HZ   LYS  74           HZ1      LYS  74  -4.948  12.606   3.320
  601   2HZ   LYS  74           HZ2      LYS  74  -6.386  12.200   4.159
  602   3HZ   LYS  74           HZ3      LYS  74  -4.923  11.540   4.692
  603    HA   PRO  75           HA       PRO  75  -5.516   8.080  -4.559
  604   1HB   PRO  75           HB1      PRO  75  -2.811   8.029  -4.448
  605   2HB   PRO  75           HB2      PRO  75  -3.739   9.470  -4.912
  606   1HG   PRO  75           HG1      PRO  75  -2.487   8.767  -2.220
  607   2HG   PRO  75           HG2      PRO  75  -2.518  10.353  -3.003
  608   1HD   PRO  75           HD2      PRO  75  -4.379   9.587  -0.993
  609   2HD   PRO  75           HD1      PRO  75  -4.721  10.826  -2.232
  610    H    VAL  76           H        VAL  76  -6.680   6.363  -3.593
  611    HA   VAL  76           HA       VAL  76  -5.299   4.053  -2.621
  612    HB   VAL  76           HB       VAL  76  -8.041   4.331  -3.821
  613   1HG1  VAL  76          2HG1      VAL  76  -6.621   1.941  -3.259
  614   2HG1  VAL  76          3HG1      VAL  76  -7.993   2.042  -2.160
  615   3HG1  VAL  76          1HG1      VAL  76  -8.274   2.266  -3.895
  616   1HG2  VAL  76          1HG2      VAL  76  -7.116   5.294  -1.380
  617   2HG2  VAL  76          2HG2      VAL  76  -8.817   5.022  -1.777
  618   3HG2  VAL  76          3HG2      VAL  76  -7.944   3.767  -0.960
  619    H    GLU  77           H        GLU  77  -4.700   2.164  -3.783
  620    HA   GLU  77           HA       GLU  77  -5.647   1.582  -6.391
  621   1HB   GLU  77           HB1      GLU  77  -3.132   3.083  -6.317
  622   2HB   GLU  77           HB2      GLU  77  -2.848   1.436  -6.920
  623   1HG   GLU  77           HG1      GLU  77  -5.111   1.979  -8.339
  624   2HG   GLU  77           HG2      GLU  77  -4.439   3.638  -8.148
  625    H    VAL  78           H        VAL  78  -5.555  -0.626  -6.721
  626    HA   VAL  78           HA       VAL  78  -5.139  -2.548  -4.933
  627    HB   VAL  78           HB       VAL  78  -6.084  -2.799  -7.163
  628   1HG1  VAL  78          3HG1      VAL  78  -3.498  -2.235  -8.341
  629   2HG1  VAL  78          1HG1      VAL  78  -4.393  -3.624  -8.938
  630   3HG1  VAL  78          2HG1      VAL  78  -5.123  -2.005  -8.845
  631   1HG2  VAL  78          2HG2      VAL  78  -4.104  -4.861  -6.101
  632   2HG2  VAL  78          3HG2      VAL  78  -5.839  -4.977  -6.210
  633   3HG2  VAL  78          1HG2      VAL  78  -4.860  -5.134  -7.684
  634    H    ILE  79           H        ILE  79  -3.279  -4.148  -4.568
  635    HA   ILE  79           HA       ILE  79  -0.548  -3.356  -5.155
  636    HB   ILE  79           HB       ILE  79  -1.309  -6.045  -4.244
  637   1HG1  ILE  79          1HG1      ILE  79  -0.821  -3.747  -2.292
  638   2HG1  ILE  79          2HG1      ILE  79  -2.464  -4.204  -2.827
  639   1HG2  ILE  79          2HG2      ILE  79   1.038  -5.518  -4.962
  640   2HG2  ILE  79          3HG2      ILE  79   1.226  -4.700  -3.425
  641   3HG2  ILE  79          1HG2      ILE  79   0.660  -6.357  -3.436
  642   1HD1  ILE  79           HD3      ILE  79  -1.348  -6.664  -2.119
  643   2HD1  ILE  79           HD1      ILE  79  -0.709  -5.493  -0.943
  644   3HD1  ILE  79           HD2      ILE  79  -2.417  -5.753  -1.107
  645    H    ASP  80           H        ASP  80   0.825  -4.685  -6.633
  646    HA   ASP  80           HA       ASP  80  -0.371  -6.286  -8.694
  647   1HB   ASP  80           HB1      ASP  80   2.129  -4.790  -8.186
  648   2HB   ASP  80           HB2      ASP  80   2.497  -6.484  -8.623
  649    H    SER  81           H        SER  81   0.999  -8.460  -9.020
  650    HA   SER  81           HA       SER  81   0.105  -9.930  -6.618
  651   1HB   SER  81           HB1      SER  81  -1.550 -10.112  -8.322
  652   2HB   SER  81           HB2      SER  81  -0.363 -10.153  -9.621
  653    HG   SER  81           HG       SER  81  -1.371 -12.261  -9.156
  654    H    LEU  82           H        LEU  82   2.662  -9.337  -8.859
  655    HA   LEU  82           HA       LEU  82   4.138 -11.815  -8.407
  656   1HB   LEU  82           HB1      LEU  82   3.794  -9.568 -10.395
  657   2HB   LEU  82           HB2      LEU  82   5.386 -10.329 -10.367
  658    HG   LEU  82           HG       LEU  82   3.410 -12.400 -10.498
  659   1HD1  LEU  82          1HD1      LEU  82   2.521 -10.090 -12.099
  660   2HD1  LEU  82          2HD1      LEU  82   2.054 -11.737 -12.496
  661   3HD1  LEU  82          3HD1      LEU  82   1.707 -11.110 -10.862
  662   1HD2  LEU  82          2HD2      LEU  82   5.471 -11.445 -12.528
  663   2HD2  LEU  82          3HD2      LEU  82   5.482 -12.823 -11.427
  664   3HD2  LEU  82          1HD2      LEU  82   4.358 -12.797 -12.778
  665    H    LEU  83           H        LEU  83   4.146  -8.190  -8.230
  666    HA   LEU  83           HA       LEU  83   6.537  -7.942  -6.727
  667   1HB   LEU  83           HB1      LEU  83   4.025  -6.109  -6.927
  668   2HB   LEU  83           HB2      LEU  83   5.653  -5.549  -6.505
  669    HG   LEU  83           HG       LEU  83   4.318  -5.854  -9.074
  670   1HD1  LEU  83          1HD1      LEU  83   6.515  -4.164  -8.109
  671   2HD1  LEU  83          2HD1      LEU  83   6.090  -4.169  -9.799
  672   3HD1  LEU  83          3HD1      LEU  83   4.831  -3.788  -8.665
  673   1HD2  LEU  83          3HD2      LEU  83   5.997  -7.878  -9.123
  674   2HD2  LEU  83          1HD2      LEU  83   5.957  -6.681 -10.455
  675   3HD2  LEU  83          2HD2      LEU  83   7.237  -6.610  -9.227
  676    H    TYR  84           H        TYR  84   2.988  -8.062  -5.904
  677    HA   TYR  84           HA       TYR  84   2.872  -7.983  -3.205
  678   1HB   TYR  84           HB1      TYR  84   1.006  -8.367  -4.885
  679   2HB   TYR  84           HB2      TYR  84   1.409 -10.092  -4.805
  680    HD1  TYR  84           HD1      TYR  84   1.566  -7.839  -1.853
  681    HD2  TYR  84           HD2      TYR  84  -0.768 -10.711  -4.072
  682    HE1  TYR  84           HE1      TYR  84   0.092  -8.125   0.159
  683    HE2  TYR  84           HE2      TYR  84  -2.156 -11.130  -2.011
  684    HH   TYR  84           HH       TYR  84  -2.631 -10.471   0.044
  685    H    GLY  85           H        GLY  85   2.943 -11.180  -4.878
  686   1HA   GLY  85           HA1      GLY  85   3.480 -12.547  -2.436
  687   2HA   GLY  85           HA2      GLY  85   3.319 -13.240  -4.063
  688    H    LYS  86           H        LYS  86   5.540 -11.286  -5.013
  689    HA   LYS  86           HA       LYS  86   7.888 -12.620  -3.773
  690   1HB   LYS  86           HB1      LYS  86   8.007 -11.056  -6.369
  691   2HB   LYS  86           HB2      LYS  86   9.072 -12.362  -5.809
  692   1HG   LYS  86           HG1      LYS  86   6.641 -13.768  -6.014
  693   2HG   LYS  86           HG2      LYS  86   6.424 -12.459  -7.221
  694   1HD   LYS  86           HD1      LYS  86   7.306 -14.690  -8.053
  695   2HD   LYS  86           HD2      LYS  86   8.130 -13.218  -8.613
  696   1HE   LYS  86           HE1      LYS  86   9.979 -13.541  -7.096
  697   2HE   LYS  86           HE2      LYS  86   9.133 -14.823  -6.208
  698   1HZ   LYS  86           HZ1      LYS  86   9.044 -16.144  -8.217
  699   2HZ   LYS  86           HZ2      LYS  86  10.054 -14.990  -8.985
  700   3HZ   LYS  86           HZ3      LYS  86  10.620 -15.869  -7.640
  701    H    VAL  87           H        VAL  87   6.135 -10.099  -3.038
  702    HA   VAL  87           HA       VAL  87   6.638  -8.304  -1.774
  703    HB   VAL  87           HB       VAL  87   8.627  -9.050  -0.177
  704   1HG1  VAL  87          2HG1      VAL  87   5.853  -9.453   0.026
  705   2HG1  VAL  87          3HG1      VAL  87   6.673 -10.826   0.720
  706   3HG1  VAL  87          1HG1      VAL  87   7.125  -9.210   1.220
  707   1HG2  VAL  87          1HG2      VAL  87   9.029 -11.056  -1.867
  708   2HG2  VAL  87          2HG2      VAL  87   9.154 -11.320  -0.120
  709   3HG2  VAL  87          3HG2      VAL  87   7.663 -11.778  -0.936
  710    H    ASP  88           H        ASP  88   7.278  -7.250  -3.877
  711    HA   ASP  88           HA       ASP  88  10.085  -6.758  -4.452
  712   1HB   ASP  88           HB1      ASP  88   7.927  -6.862  -6.069
  713   2HB   ASP  88           HB2      ASP  88   8.012  -5.109  -5.850
  714    H    GLY  89           H        GLY  89  10.347  -5.852  -2.177
  715   1HA   GLY  89           HA1      GLY  89   9.775  -3.659  -0.916
  716   2HA   GLY  89           HA2      GLY  89  11.468  -4.042  -1.386
  717    H    LEU  90           H        LEU  90  12.224  -3.082  -3.476
  718    HA   LEU  90           HA       LEU  90  11.738  -0.259  -3.319
  719   1HB   LEU  90           HB1      LEU  90  14.009  -0.322  -4.118
  720   2HB   LEU  90           HB2      LEU  90  13.908  -2.083  -3.764
  721    HG   LEU  90           HG       LEU  90  14.975  -1.756  -5.862
  722   1HD1  LEU  90          3HD1      LEU  90  13.763  -3.679  -5.708
  723   2HD1  LEU  90          1HD1      LEU  90  12.314  -2.836  -6.377
  724   3HD1  LEU  90          2HD1      LEU  90  13.709  -3.116  -7.362
  725   1HD2  LEU  90          2HD2      LEU  90  13.570   0.566  -6.162
  726   2HD2  LEU  90          3HD2      LEU  90  14.370  -0.180  -7.493
  727   3HD2  LEU  90          1HD2      LEU  90  12.632  -0.535  -7.215
  728    H    GLY  91           H        GLY  91  10.681  -2.983  -5.329
  729   1HA   GLY  91           HA1      GLY  91   9.694  -1.535  -7.616
  730   2HA   GLY  91           HA2      GLY  91   9.204  -3.125  -6.979
  731    H    VAL  92           H        VAL  92   8.188  -2.427  -4.409
  732    HA   VAL  92           HA       VAL  92   5.608  -1.649  -5.322
  733    HB   VAL  92           HB       VAL  92   6.245  -2.607  -2.610
  734   1HG1  VAL  92          3HG1      VAL  92   3.724  -2.421  -4.117
  735   2HG1  VAL  92          1HG1      VAL  92   4.013  -3.326  -2.619
  736   3HG1  VAL  92          2HG1      VAL  92   4.221  -1.543  -2.701
  737   1HG2  VAL  92          3HG2      VAL  92   6.470  -4.024  -5.174
  738   2HG2  VAL  92          1HG2      VAL  92   6.601  -4.722  -3.507
  739   3HG2  VAL  92          2HG2      VAL  92   5.056  -4.602  -4.324
  740    H    LEU  93           H        LEU  93   8.226  -0.399  -3.343
  741    HA   LEU  93           HA       LEU  93   6.982   1.889  -2.218
  742   1HB   LEU  93           HB1      LEU  93   9.233   0.612  -1.677
  743   2HB   LEU  93           HB2      LEU  93   9.933   1.513  -3.082
  744    HG   LEU  93           HG       LEU  93   9.747   3.554  -1.922
  745   1HD1  LEU  93          3HD1      LEU  93   7.827   2.364  -0.136
  746   2HD1  LEU  93          1HD1      LEU  93   9.028   3.506   0.524
  747   3HD1  LEU  93          2HD1      LEU  93   7.913   3.994  -0.751
  748   1HD2  LEU  93          2HD2      LEU  93  11.629   1.955  -1.330
  749   2HD2  LEU  93          3HD2      LEU  93  11.309   3.083  -0.024
  750   3HD2  LEU  93          1HD2      LEU  93  10.654   1.435   0.086
  751    H    LYS  94           H        LYS  94   9.117   1.392  -5.171
  752    HA   LYS  94           HA       LYS  94   8.743   3.681  -6.587
  753   1HB   LYS  94           HB1      LYS  94   9.658   1.184  -7.147
  754   2HB   LYS  94           HB2      LYS  94   8.271   1.367  -8.267
  755   1HG   LYS  94           HG1      LYS  94   9.826   2.493  -9.569
  756   2HG   LYS  94           HG2      LYS  94   9.468   3.851  -8.500
  757   1HD   LYS  94           HD1      LYS  94  11.615   2.026  -7.511
  758   2HD   LYS  94           HD2      LYS  94  11.971   2.922  -8.993
  759   1HE   LYS  94           HE1      LYS  94  11.541   5.085  -7.928
  760   2HE   LYS  94           HE2      LYS  94  10.752   4.286  -6.527
  761   1HZ   LYS  94           HZ1      LYS  94  12.894   3.271  -6.065
  762   2HZ   LYS  94           HZ2      LYS  94  13.627   4.207  -7.289
  763   3HZ   LYS  94           HZ3      LYS  94  12.953   4.975  -5.962
  764    H    ALA  95           H        ALA  95   6.493   0.873  -7.050
  765    HA   ALA  95           HA       ALA  95   4.746   2.077  -8.737
  766   1HB   ALA  95           HB1      ALA  95   4.807  -0.380  -7.110
  767   2HB   ALA  95           HB2      ALA  95   3.185   0.132  -7.530
  768   3HB   ALA  95           HB3      ALA  95   4.356  -0.163  -8.807
  769    H    ALA  96           H        ALA  96   4.896   2.166  -5.227
  770    HA   ALA  96           HA       ALA  96   2.262   3.256  -4.819
  771   1HB   ALA  96           HB2      ALA  96   3.711   1.799  -3.164
  772   2HB   ALA  96           HB3      ALA  96   4.373   3.361  -2.677
  773   3HB   ALA  96           HB1      ALA  96   2.643   3.027  -2.533
  774    H    VAL  97           H        VAL  97   5.636   4.382  -5.065
  775    HA   VAL  97           HA       VAL  97   5.208   7.096  -4.333
  776    HB   VAL  97           HB       VAL  97   7.517   5.611  -5.554
  777   1HG1  VAL  97          2HG1      VAL  97   7.220   8.453  -5.751
  778   2HG1  VAL  97          3HG1      VAL  97   8.676   8.000  -4.884
  779   3HG1  VAL  97          1HG1      VAL  97   8.377   7.268  -6.460
  780   1HG2  VAL  97          2HG2      VAL  97   6.679   5.734  -2.928
  781   2HG2  VAL  97          3HG2      VAL  97   8.350   5.554  -3.401
  782   3HG2  VAL  97          1HG2      VAL  97   7.703   7.162  -3.031
  783    H    ALA  98           H        ALA  98   5.009   5.112  -7.270
  784    HA   ALA  98           HA       ALA  98   4.620   7.193  -9.173
  785   1HB   ALA  98           HB2      ALA  98   5.048   4.520  -9.348
  786   2HB   ALA  98           HB3      ALA  98   3.292   4.535  -9.544
  787   3HB   ALA  98           HB1      ALA  98   4.337   5.470 -10.642
  788    H    ALA  99           H        ALA  99   2.449   5.236  -7.089
  789    HA   ALA  99           HA       ALA  99  -0.034   6.132  -7.841
  790   1HB   ALA  99           HB3      ALA  99   0.613   4.257  -6.232
  791   2HB   ALA  99           HB1      ALA  99   0.673   5.472  -4.976
  792   3HB   ALA  99           HB2      ALA  99  -0.837   5.196  -5.838
  793    H    ILE 100           H        ILE 100   2.511   7.714  -5.939
  794    HA   ILE 100           HA       ILE 100   1.019   9.759  -4.680
  795    HB   ILE 100           HB       ILE 100   3.836   8.990  -4.979
  796   1HG1  ILE 100          1HG1      ILE 100   2.997   7.957  -3.112
  797   2HG1  ILE 100          2HG1      ILE 100   3.575   9.460  -2.328
  798   1HG2  ILE 100          1HG2      ILE 100   3.086  11.760  -4.510
  799   2HG2  ILE 100          2HG2      ILE 100   4.514  11.093  -3.696
  800   3HG2  ILE 100          3HG2      ILE 100   4.398  11.055  -5.452
  801   1HD1  ILE 100           HD2      ILE 100   0.636   8.876  -2.971
  802   2HD1  ILE 100           HD3      ILE 100   1.426   8.760  -1.438
  803   3HD1  ILE 100           HD1      ILE 100   1.375  10.347  -2.292
  804    H    LYS 101           H        LYS 101   3.293   9.439  -7.397
  805    HA   LYS 101           HA       LYS 101   3.007  12.005  -8.519
  806   1HB   LYS 101           HB1      LYS 101   4.614  11.314  -9.816
  807   2HB   LYS 101           HB2      LYS 101   4.506   9.696  -9.099
  808   1HG   LYS 101           HG1      LYS 101   4.391   9.364 -11.463
  809   2HG   LYS 101           HG2      LYS 101   2.715   9.160 -10.920
  810   1HD   LYS 101           HD1      LYS 101   2.930  11.922 -11.575
  811   2HD   LYS 101           HD2      LYS 101   3.865  11.084 -12.819
  812   1HE   LYS 101           HE1      LYS 101   1.343   9.633 -12.204
  813   2HE   LYS 101           HE2      LYS 101   1.070  11.304 -12.805
  814   1HZ   LYS 101           HZ1      LYS 101   2.637  10.723 -14.611
  815   2HZ   LYS 101           HZ2      LYS 101   2.632   9.120 -14.053
  816   3HZ   LYS 101           HZ3      LYS 101   1.182   9.816 -14.635
  817    H    LYS 102           H        LYS 102   1.065   8.959  -9.142
  818    HA   LYS 102           HA       LYS 102  -0.681   9.994 -11.082
  819   1HB   LYS 102           HB1      LYS 102  -0.727   7.672 -10.782
  820   2HB   LYS 102           HB2      LYS 102  -0.930   7.792  -9.022
  821   1HG   LYS 102           HG1      LYS 102  -3.224   8.884  -9.488
  822   2HG   LYS 102           HG2      LYS 102  -2.992   8.444 -11.209
  823   1HD   LYS 102           HD1      LYS 102  -2.621   6.023 -10.215
  824   2HD   LYS 102           HD2      LYS 102  -3.561   6.674  -8.836
  825   1HE   LYS 102           HE1      LYS 102  -4.501   7.052 -11.726
  826   2HE   LYS 102           HE2      LYS 102  -4.956   5.630 -10.756
  827   1HZ   LYS 102           HZ1      LYS 102  -5.764   7.184  -9.055
  828   2HZ   LYS 102           HZ2      LYS 102  -5.464   8.479 -10.125
  829   3HZ   LYS 102           HZ3      LYS 102  -6.617   7.284 -10.538
  830    H    ALA 103           H        ALA 103  -0.505  10.512  -7.617
  831    HA   ALA 103           HA       ALA 103  -3.093  11.294  -7.001
  832   1HB   ALA 103           HB2      ALA 103  -0.421  11.605  -5.727
  833   2HB   ALA 103           HB3      ALA 103  -1.720  12.643  -5.122
  834   3HB   ALA 103           HB1      ALA 103  -1.894  10.873  -5.110
  835    H    ALA 104           H        ALA 104  -0.238  13.532  -7.284
  836    HA   ALA 104           HA       ALA 104  -1.998  15.749  -8.117
  837   1HB   ALA 104           HB2      ALA 104  -0.043  15.686  -5.801
  838   2HB   ALA 104           HB3      ALA 104  -0.545  17.204  -6.576
  839   3HB   ALA 104           HB1      ALA 104  -1.735  16.151  -5.792
  840    H    ALA 105           H        ALA 105   1.455  15.462  -7.181
  841    HA   ALA 105           HA       ALA 105   3.327  15.393  -8.506
  842   1HB   ALA 105           HB2      ALA 105   1.596  15.268 -10.605
  843   2HB   ALA 105           HB3      ALA 105   2.110  16.932 -10.798
  844   3HB   ALA 105           HB1      ALA 105   3.313  15.625 -10.834
  845    H    ASN 106           H        ASN 106   4.983  17.002  -8.866
  846    HA   ASN 106           HA       ASN 106   4.505  19.470  -7.452
  847   1HB   ASN 106           HB1      ASN 106   6.828  19.586  -7.117
  848   2HB   ASN 106           HB2      ASN 106   6.474  17.845  -7.076
  849   1HD2  ASN 106          1HD2      ASN 106   8.767  19.390 -10.119
  850   2HD2  ASN 106          2HD2      ASN 106   7.909  20.509  -9.015
   
  No H/Q in entry =         850
  Start of MODEL   15
    1    H    MET   1           H        MET   1   4.483  18.835   5.164
    2    HA   MET   1           HA       MET   1   4.092  18.174   7.928
    3   1HB   MET   1           HB1      MET   1   1.767  18.108   5.992
    4   2HB   MET   1           HB2      MET   1   1.728  17.377   7.616
    5   1HG   MET   1           HG1      MET   1   2.339  19.764   8.508
    6   2HG   MET   1           HG2      MET   1   1.902  20.318   6.877
    7   1HE   MET   1           HE3      MET   1   1.117  18.509   9.968
    8   2HE   MET   1           HE1      MET   1  -0.288  19.418  10.473
    9   3HE   MET   1           HE2      MET   1  -0.432  17.815   9.706
   10    H    GLU   2           H        GLU   2   6.045  17.135   6.581
   11    HA   GLU   2           HA       GLU   2   5.235  15.035   4.702
   12   1HB   GLU   2           HB1      GLU   2   7.613  14.964   4.067
   13   2HB   GLU   2           HB2      GLU   2   7.005  16.615   4.038
   14   1HG   GLU   2           HG1      GLU   2   7.942  16.595   6.614
   15   2HG   GLU   2           HG2      GLU   2   9.012  15.343   5.939
   16    H    LYS   3           H        LYS   3   7.837  13.442   5.334
   17    HA   LYS   3           HA       LYS   3   7.810  11.251   5.856
   18   1HB   LYS   3           HB1      LYS   3   7.870  12.657   8.254
   19   2HB   LYS   3           HB2      LYS   3   6.712  11.343   8.540
   20   1HG   LYS   3           HG1      LYS   3   8.821  10.150   7.085
   21   2HG   LYS   3           HG2      LYS   3   9.626  11.190   8.299
   22   1HD   LYS   3           HD1      LYS   3   8.445  10.028  10.087
   23   2HD   LYS   3           HD2      LYS   3   7.536   9.047   8.890
   24   1HE   LYS   3           HE1      LYS   3   9.569   7.937   8.163
   25   2HE   LYS   3           HE2      LYS   3  10.610   9.109   9.030
   26   1HZ   LYS   3           HZ1      LYS   3   9.597   8.324  11.084
   27   2HZ   LYS   3           HZ2      LYS   3   8.760   7.136  10.204
   28   3HZ   LYS   3           HZ3      LYS   3  10.508   7.118  10.296
   29    H    LYS   4           H        LYS   4   6.480   9.739   4.959
   30    HA   LYS   4           HA       LYS   4   3.578  10.316   5.064
   31   1HB   LYS   4           HB1      LYS   4   5.241   9.253   2.822
   32   2HB   LYS   4           HB2      LYS   4   3.491   9.449   2.811
   33   1HG   LYS   4           HG1      LYS   4   3.922  11.889   3.544
   34   2HG   LYS   4           HG2      LYS   4   5.626  11.609   3.091
   35   1HD   LYS   4           HD1      LYS   4   3.572  10.950   0.996
   36   2HD   LYS   4           HD2      LYS   4   3.710  12.660   1.427
   37   1HE   LYS   4           HE1      LYS   4   6.385  11.361   1.139
   38   2HE   LYS   4           HE2      LYS   4   5.411  11.227  -0.337
   39   1HZ   LYS   4           HZ1      LYS   4   4.973  13.621  -0.198
   40   2HZ   LYS   4           HZ2      LYS   4   6.061  13.737   1.088
   41   3HZ   LYS   4           HZ3      LYS   4   6.616  13.239  -0.453
   42    H    HIS   5           H        HIS   5   2.102   8.491   4.510
   43    HA   HIS   5           HA       HIS   5   2.613   5.967   6.039
   44   1HB   HIS   5           HB1      HIS   5   0.243   7.679   5.606
   45   2HB   HIS   5           HB2      HIS   5   0.297   6.117   6.451
   46    HD1  HIS   5           HD1      HIS   5  -0.399   8.872   8.099
   47    HD2  HIS   5           HD2      HIS   5   3.350   7.038   7.660
   48    HE1  HIS   5           HE1      HIS   5   1.135   9.762   9.990
   49    H    ILE   6           H        ILE   6   3.098   4.347   4.681
   50    HA   ILE   6           HA       ILE   6   1.766   4.144   2.116
   51    HB   ILE   6           HB       ILE   6   4.454   3.221   2.985
   52   1HG1  ILE   6          1HG1      ILE   6   3.288   4.869   0.651
   53   2HG1  ILE   6          2HG1      ILE   6   4.435   5.435   1.914
   54   1HG2  ILE   6          3HG2      ILE   6   2.644   1.799   1.152
   55   2HG2  ILE   6          1HG2      ILE   6   4.359   2.035   0.709
   56   3HG2  ILE   6          2HG2      ILE   6   3.939   1.253   2.231
   57   1HD1  ILE   6           HD3      ILE   6   5.167   3.531  -0.276
   58   2HD1  ILE   6           HD1      ILE   6   5.487   5.284  -0.075
   59   3HD1  ILE   6           HD2      ILE   6   6.264   4.102   0.942
   60    H    TYR   7           H        TYR   7  -0.125   3.411   3.344
   61    HA   TYR   7           HA       TYR   7  -0.099   0.719   4.636
   62   1HB   TYR   7           HB1      TYR   7  -2.458   2.605   4.129
   63   2HB   TYR   7           HB2      TYR   7  -2.469   1.037   5.021
   64    HD1  TYR   7           HD1      TYR   7  -0.108   1.262   6.708
   65    HD2  TYR   7           HD2      TYR   7  -3.158   4.092   5.706
   66    HE1  TYR   7           HE1      TYR   7   0.463   2.581   8.779
   67    HE2  TYR   7           HE2      TYR   7  -2.529   5.486   7.693
   68    HH   TYR   7           HH       TYR   7  -1.534   5.441   9.662
   69    H    LEU   8           H        LEU   8  -1.158  -0.995   3.834
   70    HA   LEU   8           HA       LEU   8  -1.800  -1.292   0.997
   71    HB   LEU   8           HB1      LEU   8   0.764  -1.432   1.373
   72   2HB   LEU   8           HB2      LEU   8   0.399  -2.213   2.904
   73    HG   LEU   8           HG       LEU   8  -0.132  -3.807   0.373
   74   1HD1  LEU   8          1HD1      LEU   8   2.171  -2.834   0.276
   75   2HD1  LEU   8          2HD1      LEU   8   2.629  -3.988   1.504
   76   3HD1  LEU   8          3HD1      LEU   8   1.890  -4.592   0.051
   77   1HD2  LEU   8          3HD2      LEU   8  -0.215  -3.894   3.349
   78   2HD2  LEU   8          1HD2      LEU   8  -0.883  -4.963   2.120
   79   3HD2  LEU   8          2HD2      LEU   8   0.845  -5.143   2.653
   80    H    PHE   9           H        PHE   9  -3.221  -3.296   0.910
   81    HA   PHE   9           HA       PHE   9  -4.217  -3.920   3.640
   82   1HB   PHE   9           HB1      PHE   9  -5.444  -2.495   1.316
   83   2HB   PHE   9           HB2      PHE   9  -6.456  -3.261   2.609
   84    HD1  PHE   9           HD2      PHE   9  -3.673  -0.827   2.081
   85    HD2  PHE   9           HD1      PHE   9  -7.134  -1.886   4.442
   86    HE1  PHE   9           HE2      PHE   9  -3.678   1.415   3.254
   87    HE2  PHE   9           HE1      PHE   9  -6.468  -0.209   6.122
   88    HZ   PHE   9           HZ       PHE   9  -4.758   1.517   5.507
   89    H    SER  10           H        SER  10  -3.551  -6.211   3.433
   90    HA   SER  10           HA       SER  10  -3.589  -8.285   2.680
   91   1HB   SER  10           HB1      SER  10  -5.304  -8.324   4.283
   92   2HB   SER  10           HB2      SER  10  -6.454  -7.373   3.268
   93    HG   SER  10           HG       SER  10  -6.954  -9.655   3.537
   94    H    SER  11           H        SER  11  -6.661  -8.495   1.053
   95    HA   SER  11           HA       SER  11  -7.007  -9.359  -1.011
   96   1HB   SER  11           HB1      SER  11  -5.364  -9.078  -2.791
   97   2HB   SER  11           HB2      SER  11  -5.067  -7.704  -1.700
   98    HG   SER  11           HG       SER  11  -3.092  -8.845  -2.331
   99    H    ALA  12           H        ALA  12  -4.008 -10.248   0.679
  100    HA   ALA  12           HA       ALA  12  -4.688 -12.993   0.912
  101   1HB   ALA  12           HB1      ALA  12  -3.804 -12.787  -1.592
  102   2HB   ALA  12           HB2      ALA  12  -2.227 -12.755  -0.827
  103   3HB   ALA  12           HB3      ALA  12  -3.321 -14.130  -0.538
  104    H    GLY  13           H        GLY  13  -3.815 -10.765   2.597
  105   1HA   GLY  13           HA1      GLY  13  -2.446 -10.311   4.327
  106   2HA   GLY  13           HA2      GLY  13  -2.582 -12.079   4.612
  107    H    MET  14           H        MET  14  -0.902 -13.459   3.305
  108    HA   MET  14           HA       MET  14   1.456 -12.964   4.659
  109   1HB   MET  14           HB1      MET  14   0.255 -15.093   3.381
  110   2HB   MET  14           HB2      MET  14   1.698 -14.834   2.373
  111   1HG   MET  14           HG1      MET  14   3.174 -15.232   4.155
  112   2HG   MET  14           HG2      MET  14   1.970 -14.861   5.396
  113   1HE   MET  14           HE1      MET  14   4.040 -17.193   4.028
  114   2HE   MET  14           HE2      MET  14   3.820 -17.674   5.753
  115   3HE   MET  14           HE3      MET  14   3.454 -18.813   4.424
  116    H    SER  15           H        SER  15   0.494 -11.460   1.725
  117    HA   SER  15           HA       SER  15   3.234 -11.198   0.621
  118   1HB   SER  15           HB1      SER  15   1.085 -10.641  -1.245
  119   2HB   SER  15           HB2      SER  15   2.435 -11.841  -1.371
  120    HG   SER  15           HG       SER  15   0.228 -12.753  -1.390
  121    H    THR  16           H        THR  16   0.899  -9.633   2.362
  122    HA   THR  16           HA       THR  16   1.386  -6.875   1.689
  123    HB   THR  16           HB       THR  16   0.843  -6.399   4.028
  124    HG1  THR  16           HG1      THR  16  -0.027  -8.201   5.334
  125   1HG2  THR  16          1HG2      THR  16  -0.995  -6.872   2.145
  126   2HG2  THR  16          2HG2      THR  16  -1.591  -7.847   3.451
  127   3HG2  THR  16          3HG2      THR  16  -1.256  -6.158   3.757
  128    H    SER  17           H        SER  17   2.591  -9.033   4.399
  129    HA   SER  17           HA       SER  17   3.709  -6.961   5.821
  130   1HB   SER  17           HB1      SER  17   3.527  -9.939   5.766
  131   2HB   SER  17           HB2      SER  17   4.994  -9.371   6.560
  132    HG   SER  17           HG       SER  17   3.055  -9.668   7.935
  133    H    LEU  18           H        LEU  18   4.991  -8.933   3.152
  134    HA   LEU  18           HA       LEU  18   7.822  -8.398   3.838
  135   1HB   LEU  18           HB1      LEU  18   6.234 -10.700   2.924
  136   2HB   LEU  18           HB2      LEU  18   7.501 -10.355   1.704
  137    HG   LEU  18           HG       LEU  18   8.638 -10.382   4.331
  138   1HD1  LEU  18          3HD1      LEU  18   6.603 -11.935   4.642
  139   2HD1  LEU  18          1HD1      LEU  18   7.784 -13.118   4.020
  140   3HD1  LEU  18          2HD1      LEU  18   8.136 -12.152   5.467
  141   1HD2  LEU  18          2HD2      LEU  18   8.935 -12.012   1.739
  142   2HD2  LEU  18          3HD2      LEU  18   9.913 -10.601   2.236
  143   3HD2  LEU  18          1HD2      LEU  18  10.036 -12.147   3.098
  144    H    LEU  19           H        LEU  19   5.236  -7.474   1.638
  145    HA   LEU  19           HA       LEU  19   6.801  -6.012  -0.282
  146   1HB   LEU  19           HB1      LEU  19   4.047  -5.910   1.090
  147   2HB   LEU  19           HB2      LEU  19   4.513  -4.707  -0.126
  148    HG   LEU  19           HG       LEU  19   3.309  -7.248  -0.449
  149   1HD1  LEU  19          1HD1      LEU  19   3.758  -4.989  -2.244
  150   2HD1  LEU  19          2HD1      LEU  19   3.256  -6.517  -2.960
  151   3HD1  LEU  19          3HD1      LEU  19   2.256  -5.839  -1.717
  152   1HD2  LEU  19          3HD2      LEU  19   5.830  -8.005  -0.774
  153   2HD2  LEU  19          1HD2      LEU  19   4.653  -8.366  -2.025
  154   3HD2  LEU  19          2HD2      LEU  19   5.762  -6.948  -2.172
  155    H    VAL  20           H        VAL  20   5.027  -5.207   2.768
  156    HA   VAL  20           HA       VAL  20   5.808  -2.454   3.091
  157    HB   VAL  20           HB       VAL  20   4.496  -4.580   4.718
  158   1HG1  VAL  20          1HG1      VAL  20   5.839  -2.384   5.814
  159   2HG1  VAL  20          2HG1      VAL  20   4.085  -2.250   6.135
  160   3HG1  VAL  20          3HG1      VAL  20   4.983  -3.661   6.680
  161   1HG2  VAL  20          2HG2      VAL  20   3.596  -2.289   3.031
  162   2HG2  VAL  20          3HG2      VAL  20   2.800  -3.801   3.397
  163   3HG2  VAL  20          1HG2      VAL  20   2.756  -2.510   4.584
  164    H    SER  21           H        SER  21   7.272  -5.584   3.945
  165    HA   SER  21           HA       SER  21   8.991  -4.389   5.980
  166   1HB   SER  21           HB1      SER  21   7.657  -6.932   5.788
  167   2HB   SER  21           HB2      SER  21   9.426  -7.250   5.723
  168    HG   SER  21           HG       SER  21   8.458  -7.228   7.898
  169    H    LYS  22           H        LYS  22   9.010  -5.854   2.761
  170    HA   LYS  22           HA       LYS  22  11.869  -5.997   2.480
  171   1HB   LYS  22           HB1      LYS  22  10.555  -7.455   1.047
  172   2HB   LYS  22           HB2      LYS  22   9.654  -6.065   0.444
  173   1HG   LYS  22           HG1      LYS  22  11.454  -5.285  -0.825
  174   2HG   LYS  22           HG2      LYS  22  12.657  -6.016   0.245
  175   1HD   LYS  22           HD1      LYS  22  10.784  -7.717  -1.440
  176   2HD   LYS  22           HD2      LYS  22  12.231  -7.025  -2.192
  177   1HE   LYS  22           HE1      LYS  22  12.247  -8.677   0.410
  178   2HE   LYS  22           HE2      LYS  22  12.614  -9.339  -1.204
  179   1HZ   LYS  22           HZ1      LYS  22  14.407  -7.647  -1.340
  180   2HZ   LYS  22           HZ2      LYS  22  14.112  -7.278   0.307
  181   3HZ   LYS  22           HZ3      LYS  22  14.622  -8.865  -0.117
  182    H    MET  23           H        MET  23   9.126  -4.013   1.562
  183    HA   MET  23           HA       MET  23  10.322  -1.820   0.343
  184   1HB   MET  23           HB1      MET  23   7.740  -2.251   1.873
  185   2HB   MET  23           HB2      MET  23   8.190  -0.583   1.433
  186   1HG   MET  23           HG1      MET  23   8.509  -1.870  -0.943
  187   2HG   MET  23           HG2      MET  23   7.150  -2.772  -0.226
  188   1HE   MET  23           HE1      MET  23   5.832  -1.213   1.441
  189   2HE   MET  23           HE2      MET  23   5.584   0.554   1.261
  190   3HE   MET  23           HE3      MET  23   4.461  -0.595   0.508
  191    H    ARG  24           H        ARG  24   9.122  -2.118   3.707
  192    HA   ARG  24           HA       ARG  24   9.845   0.201   4.924
  193   1HB   ARG  24           HB1      ARG  24   9.429  -2.565   5.774
  194   2HB   ARG  24           HB2      ARG  24  10.625  -1.759   6.795
  195   1HG   ARG  24           HG1      ARG  24   9.057  -0.224   7.612
  196   2HG   ARG  24           HG2      ARG  24   7.982  -0.376   6.230
  197   1HD   ARG  24           HD1      ARG  24   7.321  -2.603   6.997
  198   2HD   ARG  24           HD2      ARG  24   8.504  -2.534   8.328
  199    HE   ARG  24           HE       ARG  24   6.426  -0.426   8.132
  200   1HH1  ARG  24          2HH1      ARG  24   7.365  -3.320   9.638
  201   2HH1  ARG  24          1HH1      ARG  24   6.362  -2.945  11.206
  202   1HH2  ARG  24          2HH2      ARG  24   5.496   0.004  10.026
  203   2HH2  ARG  24          1HH2      ARG  24   5.237  -1.436  11.272
  204    H    ALA  25           H        ALA  25  11.951  -2.716   4.575
  205    HA   ALA  25           HA       ALA  25  14.437  -1.901   5.113
  206   1HB   ALA  25           HB3      ALA  25  13.321  -3.882   3.471
  207   2HB   ALA  25           HB1      ALA  25  14.376  -2.950   2.381
  208   3HB   ALA  25           HB2      ALA  25  15.053  -3.656   3.884
  209    H    GLN  26           H        GLN  26  13.334  -1.456   1.681
  210    HA   GLN  26           HA       GLN  26  14.911   0.244   0.518
  211   1HB   GLN  26           HB1      GLN  26  11.884   0.516   0.899
  212   2HB   GLN  26           HB2      GLN  26  12.790   1.527  -0.274
  213   1HG   GLN  26           HG1      GLN  26  11.476  -0.787  -0.969
  214   2HG   GLN  26           HG2      GLN  26  12.860  -0.044  -1.847
  215   1HE2  GLN  26          1HE2      GLN  26  13.083  -3.727  -0.281
  216   2HE2  GLN  26          2HE2      GLN  26  11.788  -2.980  -1.286
  217    H    ALA  27           H        ALA  27  12.466   1.389   2.937
  218    HA   ALA  27           HA       ALA  27  13.173   4.187   2.356
  219   1HB   ALA  27           HB3      ALA  27  10.818   2.933   3.795
  220   2HB   ALA  27           HB1      ALA  27  11.087   4.687   3.656
  221   3HB   ALA  27           HB2      ALA  27  10.849   3.727   2.201
  222    H    GLU  28           H        GLU  28  13.691   1.870   4.970
  223    HA   GLU  28           HA       GLU  28  14.969   3.941   6.567
  224   1HB   GLU  28           HB1      GLU  28  14.609   0.949   6.976
  225   2HB   GLU  28           HB2      GLU  28  15.679   1.944   8.011
  226   1HG   GLU  28           HG1      GLU  28  13.392   1.702   8.895
  227   2HG   GLU  28           HG2      GLU  28  13.858   3.378   8.623
  228    H    LYS  29           H        LYS  29  16.099   0.780   5.029
  229    HA   LYS  29           HA       LYS  29  18.638   0.877   4.565
  230   1HB   LYS  29           HB1      LYS  29  17.274  -0.699   3.510
  231   2HB   LYS  29           HB2      LYS  29  16.426   0.582   2.613
  232   1HG   LYS  29           HG1      LYS  29  18.186   0.927   1.137
  233   2HG   LYS  29           HG2      LYS  29  19.397   0.366   2.341
  234   1HD   LYS  29           HD1      LYS  29  19.092  -1.103   0.247
  235   2HD   LYS  29           HD2      LYS  29  18.933  -1.918   1.846
  236   1HE   LYS  29           HE1      LYS  29  16.538  -1.985   1.683
  237   2HE   LYS  29           HE2      LYS  29  16.515  -0.838   0.317
  238   1HZ   LYS  29           HZ1      LYS  29  17.848  -2.534  -0.910
  239   2HZ   LYS  29           HZ2      LYS  29  17.526  -3.625   0.350
  240   3HZ   LYS  29           HZ3      LYS  29  16.230  -3.002  -0.560
  241    H    TYR  30           H        TYR  30  16.295   2.960   2.916
  242    HA   TYR  30           HA       TYR  30  18.228   5.058   2.089
  243   1HB   TYR  30           HB1      TYR  30  15.615   4.223   0.879
  244   2HB   TYR  30           HB2      TYR  30  16.803   5.328   0.177
  245    HD1  TYR  30           HD2      TYR  30  19.288   3.724   0.690
  246    HD2  TYR  30           HD1      TYR  30  15.368   2.528  -0.710
  247    HE1  TYR  30           HE2      TYR  30  20.326   2.038  -0.857
  248    HE2  TYR  30           HE1      TYR  30  16.374   0.341  -1.517
  249    HH   TYR  30           HH       TYR  30  19.978   0.039  -1.779
  250    H    GLU  31           H        GLU  31  17.761   6.979   3.203
  251    HA   GLU  31           HA       GLU  31  16.248   7.093   5.414
  252   1HB   GLU  31           HB1      GLU  31  17.029   9.287   3.399
  253   2HB   GLU  31           HB2      GLU  31  16.078   9.695   4.849
  254   1HG   GLU  31           HG1      GLU  31  18.401   8.005   5.516
  255   2HG   GLU  31           HG2      GLU  31  18.869   9.551   4.784
  256    H    VAL  32           H        VAL  32  15.187   7.429   2.124
  257    HA   VAL  32           HA       VAL  32  13.401   8.980   1.477
  258    HB   VAL  32           HB       VAL  32  12.388   6.162   1.589
  259   1HG1  VAL  32          1HG1      VAL  32  11.111   8.159   0.522
  260   2HG1  VAL  32          2HG1      VAL  32  12.084   7.699  -0.886
  261   3HG1  VAL  32          3HG1      VAL  32  11.020   6.528  -0.154
  262   1HG2  VAL  32          2HG2      VAL  32  14.589   7.396  -0.205
  263   2HG2  VAL  32          3HG2      VAL  32  14.709   5.913   0.726
  264   3HG2  VAL  32          1HG2      VAL  32  13.634   5.999  -0.687
  265    HA   PRO  33           HA       PRO  33  11.701   9.271   5.805
  266   1HB   PRO  33           HB1      PRO  33  11.054  11.905   4.404
  267   2HB   PRO  33           HB2      PRO  33  11.300  11.664   6.154
  268   1HG   PRO  33           HG1      PRO  33  13.522  12.356   4.855
  269   2HG   PRO  33           HG2      PRO  33  13.613  10.872   5.830
  270   1HD   PRO  33           HD2      PRO  33  13.056  11.101   2.798
  271   2HD   PRO  33           HD1      PRO  33  14.219  10.005   3.622
  272    H    VAL  34           H        VAL  34  10.275   7.603   5.373
  273    HA   VAL  34           HA       VAL  34   7.613   8.447   5.781
  274    HB   VAL  34           HB       VAL  34   6.408   8.021   3.957
  275   1HG1  VAL  34          3HG1      VAL  34   7.606   9.947   3.291
  276   2HG1  VAL  34          1HG1      VAL  34   8.929   8.937   2.663
  277   3HG1  VAL  34          2HG1      VAL  34   7.303   8.955   1.927
  278   1HG2  VAL  34          2HG2      VAL  34   7.670   5.552   3.604
  279   2HG2  VAL  34          3HG2      VAL  34   6.584   6.265   2.458
  280   3HG2  VAL  34          1HG2      VAL  34   8.370   6.481   2.263
  281    H    ILE  35           H        ILE  35   6.050   6.485   5.745
  282    HA   ILE  35           HA       ILE  35   7.202   4.284   7.316
  283    HB   ILE  35           HB       ILE  35   5.091   6.282   7.782
  284   1HG1  ILE  35          1HG1      ILE  35   7.700   5.749   8.855
  285   2HG1  ILE  35          2HG1      ILE  35   6.573   7.044   9.255
  286   1HG2  ILE  35          3HG2      ILE  35   3.866   4.230   7.878
  287   2HG2  ILE  35          1HG2      ILE  35   4.910   3.707   9.248
  288   3HG2  ILE  35          2HG2      ILE  35   3.910   5.150   9.378
  289   1HD1  ILE  35           HD3      ILE  35   6.413   4.359  10.642
  290   2HD1  ILE  35           HD1      ILE  35   7.540   5.678  11.070
  291   3HD1  ILE  35           HD2      ILE  35   5.779   5.846  11.227
  292    H    ILE  36           H        ILE  36   5.614   2.406   7.478
  293    HA   ILE  36           HA       ILE  36   3.813   1.880   5.164
  294    HB   ILE  36           HB       ILE  36   5.878  -0.057   5.779
  295   1HG1  ILE  36          1HG1      ILE  36   6.256   2.268   3.792
  296   2HG1  ILE  36          2HG1      ILE  36   7.081   2.128   5.354
  297   1HG2  ILE  36          3HG2      ILE  36   3.693   0.019   4.012
  298   2HG2  ILE  36          1HG2      ILE  36   5.207   0.107   3.093
  299   3HG2  ILE  36          2HG2      ILE  36   4.943  -1.214   4.235
  300   1HD1  ILE  36           HD3      ILE  36   8.048  -0.107   4.368
  301   2HD1  ILE  36           HD1      ILE  36   7.427   0.577   2.846
  302   3HD1  ILE  36           HD2      ILE  36   8.704   1.385   3.764
  303    H    GLU  37           H        GLU  37   2.008   0.813   5.920
  304    HA   GLU  37           HA       GLU  37   2.414  -1.459   7.622
  305   1HB   GLU  37           HB1      GLU  37   0.213   0.521   8.433
  306   2HB   GLU  37           HB2      GLU  37   0.644  -0.987   9.284
  307   1HG   GLU  37           HG1      GLU  37   2.591   1.292   8.961
  308   2HG   GLU  37           HG2      GLU  37   1.375   1.285  10.239
  309    H    ALA  38           H        ALA  38   0.277  -2.819   7.698
  310    HA   ALA  38           HA       ALA  38  -0.657  -2.976   4.982
  311   1HB   ALA  38           HB3      ALA  38   1.476  -4.473   6.297
  312   2HB   ALA  38           HB1      ALA  38   0.304  -5.562   5.583
  313   3HB   ALA  38           HB2      ALA  38   1.143  -4.401   4.558
  314    H    PHE  39           H        PHE  39  -2.906  -3.576   5.273
  315    HA   PHE  39           HA       PHE  39  -3.711  -4.618   7.950
  316   1HB   PHE  39           HB1      PHE  39  -4.755  -2.329   6.191
  317   2HB   PHE  39           HB2      PHE  39  -5.480  -2.878   7.695
  318    HD1  PHE  39           HD2      PHE  39  -2.453  -3.452   8.770
  319    HD2  PHE  39           HD1      PHE  39  -4.451  -0.078   7.007
  320    HE1  PHE  39           HE2      PHE  39  -1.038  -1.944  10.120
  321    HE2  PHE  39           HE1      PHE  39  -2.859   1.464   8.137
  322    HZ   PHE  39           HZ       PHE  39  -1.202   0.525   9.769
  323    HA   PRO  40           HA       PRO  40  -6.737  -7.048   5.755
  324   1HB   PRO  40           HB1      PRO  40  -8.630  -7.343   7.812
  325   2HB   PRO  40           HB2      PRO  40  -7.266  -8.387   7.446
  326   1HG   PRO  40           HG1      PRO  40  -7.565  -6.528   9.774
  327   2HG   PRO  40           HG2      PRO  40  -6.163  -7.543   9.427
  328   1HD   PRO  40           HD2      PRO  40  -6.477  -4.635   8.841
  329   2HD   PRO  40           HD1      PRO  40  -4.997  -5.597   8.926
  330    H    GLU  41           H        GLU  41  -7.232  -5.198   4.360
  331    HA   GLU  41           HA       GLU  41  -8.169  -3.269   3.749
  332   1HB   GLU  41           HB1      GLU  41 -10.585  -3.756   2.942
  333   2HB   GLU  41           HB2      GLU  41  -9.233  -4.708   2.318
  334   1HG   GLU  41           HG1      GLU  41 -10.866  -5.722   4.706
  335   2HG   GLU  41           HG2      GLU  41 -11.465  -5.928   3.087
  336    H    THR  42           H        THR  42 -10.577  -4.557   6.132
  337    HA   THR  42           HA       THR  42 -12.330  -3.146   6.995
  338    HB   THR  42           HB       THR  42 -12.038  -4.064   8.945
  339    HG1  THR  42           HG1      THR  42 -10.494  -3.178  10.552
  340   1HG2  THR  42          3HG2      THR  42  -9.512  -4.680   7.707
  341   2HG2  THR  42          1HG2      THR  42  -9.567  -4.816   9.505
  342   3HG2  THR  42          2HG2      THR  42 -10.658  -5.745   8.478
  343    H    LEU  43           H        LEU  43  -9.077  -1.599   7.001
  344    HA   LEU  43           HA       LEU  43 -10.297   0.996   7.761
  345   1HB   LEU  43           HB1      LEU  43  -8.386   1.521   9.301
  346   2HB   LEU  43           HB2      LEU  43  -9.566   0.366   9.978
  347    HG   LEU  43           HG       LEU  43  -6.864   0.226  10.210
  348   1HD1  LEU  43          1HD1      LEU  43  -9.105  -1.232  11.075
  349   2HD1  LEU  43          2HD1      LEU  43  -7.648  -2.251  11.024
  350   3HD1  LEU  43          3HD1      LEU  43  -7.590  -0.719  11.889
  351   1HD2  LEU  43          3HD2      LEU  43  -7.470  -1.325   7.769
  352   2HD2  LEU  43          1HD2      LEU  43  -5.939  -1.041   8.580
  353   3HD2  LEU  43          2HD2      LEU  43  -7.050  -2.351   9.119
  354    H    ALA  44           H        ALA  44  -9.169   0.009   5.188
  355    HA   ALA  44           HA       ALA  44  -7.002   1.844   4.702
  356   1HB   ALA  44           HB3      ALA  44  -8.199  -0.157   3.203
  357   2HB   ALA  44           HB1      ALA  44  -9.135   1.213   2.618
  358   3HB   ALA  44           HB2      ALA  44  -7.371   1.176   2.370
  359    H    GLY  45           H        GLY  45 -10.599   1.971   4.625
  360   1HA   GLY  45           HA1      GLY  45 -11.303   4.582   4.481
  361   2HA   GLY  45           HA2      GLY  45 -11.872   3.469   5.713
  362    H    GLU  46           H        GLU  46  -9.872   3.071   7.472
  363    HA   GLU  46           HA       GLU  46  -9.871   5.765   8.696
  364   1HB   GLU  46           HB1      GLU  46 -10.810   4.727  10.382
  365   2HB   GLU  46           HB2      GLU  46 -10.579   3.100   9.677
  366   1HG   GLU  46           HG1      GLU  46  -9.504   2.879  11.686
  367   2HG   GLU  46           HG2      GLU  46  -8.130   3.326  10.669
  368    H    LYS  47           H        LYS  47  -7.526   2.985   8.096
  369    HA   LYS  47           HA       LYS  47  -5.287   4.394   9.170
  370   1HB   LYS  47           HB1      LYS  47  -5.830   1.893   7.748
  371   2HB   LYS  47           HB2      LYS  47  -4.214   2.601   7.536
  372   1HG   LYS  47           HG1      LYS  47  -5.562   2.409  10.195
  373   2HG   LYS  47           HG2      LYS  47  -4.779   0.937   9.594
  374   1HD   LYS  47           HD1      LYS  47  -2.695   2.666   9.579
  375   2HD   LYS  47           HD2      LYS  47  -3.745   3.634  10.584
  376   1HE   LYS  47           HE1      LYS  47  -4.022   1.388  12.040
  377   2HE   LYS  47           HE2      LYS  47  -2.440   1.010  11.309
  378   1HZ   LYS  47           HZ1      LYS  47  -1.735   3.215  12.014
  379   2HZ   LYS  47           HZ2      LYS  47  -3.179   3.391  12.858
  380   3HZ   LYS  47           HZ3      LYS  47  -2.101   2.160  13.304
  381    H    GLY  48           H        GLY  48  -6.272   3.420   5.865
  382   1HA   GLY  48           HA1      GLY  48  -5.013   4.996   4.136
  383   2HA   GLY  48           HA2      GLY  48  -6.773   4.717   4.093
  384    H    GLN  49           H        GLN  49  -7.580   6.248   6.378
  385    HA   GLN  49           HA       GLN  49  -7.564   8.976   5.680
  386   1HB   GLN  49           HB1      GLN  49  -9.209   8.571   7.277
  387   2HB   GLN  49           HB2      GLN  49  -8.308   7.190   7.985
  388   1HG   GLN  49           HG1      GLN  49  -6.995   8.708   9.322
  389   2HG   GLN  49           HG2      GLN  49  -7.750  10.123   8.587
  390   1HE2  GLN  49          1HE2      GLN  49  -9.644   8.039  11.541
  391   2HE2  GLN  49          2HE2      GLN  49  -8.384   7.155  10.604
  392    H    ASN  50           H        ASN  50  -5.720   7.283   8.320
  393    HA   ASN  50           HA       ASN  50  -3.655   9.246   8.594
  394   1HB   ASN  50           HB1      ASN  50  -4.503   7.309  10.138
  395   2HB   ASN  50           HB2      ASN  50  -3.134   6.429   9.375
  396   1HD2  ASN  50          1HD2      ASN  50  -2.248   8.871  12.344
  397   2HD2  ASN  50          2HD2      ASN  50  -3.753   7.885  12.198
  398    H    ALA  51           H        ALA  51  -4.190   7.713   5.788
  399    HA   ALA  51           HA       ALA  51  -1.517   6.811   5.112
  400   1HB   ALA  51           HB2      ALA  51  -4.144   6.897   3.636
  401   2HB   ALA  51           HB3      ALA  51  -2.633   6.742   2.755
  402   3HB   ALA  51           HB1      ALA  51  -3.096   5.517   3.965
  403    H    ASP  52           H        ASP  52  -0.331   7.772   3.248
  404    HA   ASP  52           HA       ASP  52  -1.279  10.363   2.203
  405   1HB   ASP  52           HB1      ASP  52   0.895  10.960   1.776
  406   2HB   ASP  52           HB2      ASP  52   1.188   9.869   3.149
  407    H    VAL  53           H        VAL  53  -0.250   6.987   1.552
  408    HA   VAL  53           HA       VAL  53  -2.078   6.871  -0.704
  409    HB   VAL  53           HB       VAL  53  -0.292   7.693  -1.870
  410   1HG1  VAL  53          1HG1      VAL  53   1.641   6.119  -0.414
  411   2HG1  VAL  53          2HG1      VAL  53   1.971   6.814  -2.024
  412   3HG1  VAL  53          3HG1      VAL  53   1.521   7.846  -0.714
  413   1HG2  VAL  53          2HG2      VAL  53  -1.273   5.152  -2.688
  414   2HG2  VAL  53          3HG2      VAL  53  -0.230   6.181  -3.624
  415   3HG2  VAL  53          1HG2      VAL  53   0.467   4.868  -2.635
  416    H    VAL  54           H        VAL  54  -2.773   4.796  -1.206
  417    HA   VAL  54           HA       VAL  54  -2.428   2.722   0.852
  418    HB   VAL  54           HB       VAL  54  -4.938   3.423  -0.492
  419   1HG1  VAL  54          3HG1      VAL  54  -4.513   1.225   1.116
  420   2HG1  VAL  54          1HG1      VAL  54  -5.096   2.417   2.229
  421   3HG1  VAL  54          2HG1      VAL  54  -6.057   1.992   0.767
  422   1HG2  VAL  54          2HG2      VAL  54  -3.815   4.827   1.968
  423   2HG2  VAL  54          3HG2      VAL  54  -4.409   5.549   0.480
  424   3HG2  VAL  54          1HG2      VAL  54  -5.565   4.778   1.597
  425    H    LEU  55           H        LEU  55  -2.180   0.610  -0.176
  426    HA   LEU  55           HA       LEU  55  -3.494   0.249  -2.802
  427   1HB   LEU  55           HB1      LEU  55  -1.213  -1.588  -2.038
  428   2HB   LEU  55           HB2      LEU  55  -1.641  -0.923  -3.600
  429    HG   LEU  55           HG       LEU  55  -0.631   1.164  -1.871
  430   1HD1  LEU  55          1HD1      LEU  55   1.007  -1.242  -1.867
  431   2HD1  LEU  55          2HD1      LEU  55   1.751   0.331  -1.675
  432   3HD1  LEU  55          3HD1      LEU  55   0.446  -0.148  -0.577
  433   1HD2  LEU  55          3HD2      LEU  55  -0.908   0.828  -4.504
  434   2HD2  LEU  55          1HD2      LEU  55   0.470   1.721  -3.889
  435   3HD2  LEU  55          2HD2      LEU  55   0.659   0.008  -4.362
  436    H    LEU  56           H        LEU  56  -4.983  -1.423  -2.838
  437    HA   LEU  56           HA       LEU  56  -5.026  -3.407  -0.627
  438   1HB   LEU  56           HB1      LEU  56  -7.066  -1.598  -1.779
  439   2HB   LEU  56           HB2      LEU  56  -7.478  -3.256  -2.299
  440    HG   LEU  56           HG       LEU  56  -7.284  -3.740   0.330
  441   1HD1  LEU  56          1HD1      LEU  56  -6.672  -1.236   0.621
  442   2HD1  LEU  56          2HD1      LEU  56  -8.396  -0.983   0.703
  443   3HD1  LEU  56          3HD1      LEU  56  -7.695  -2.143   1.788
  444   1HD2  LEU  56          2HD2      LEU  56  -9.346  -4.039  -1.094
  445   2HD2  LEU  56          3HD2      LEU  56  -9.636  -3.523   0.563
  446   3HD2  LEU  56          1HD2      LEU  56  -9.749  -2.354  -0.740
  447    H    GLY  57           H        GLY  57  -4.865  -5.648  -1.411
  448   1HA   GLY  57           HA1      GLY  57  -3.088  -5.658  -3.663
  449   2HA   GLY  57           HA2      GLY  57  -3.554  -7.007  -2.581
  450    HA   PRO  58           HA       PRO  58  -5.219  -7.363  -6.890
  451   1HB   PRO  58           HB1      PRO  58  -3.436  -9.169  -7.987
  452   2HB   PRO  58           HB2      PRO  58  -3.191  -7.403  -7.890
  453   1HG   PRO  58           HG1      PRO  58  -1.731  -9.530  -6.336
  454   2HG   PRO  58           HG2      PRO  58  -1.410  -7.764  -6.381
  455   1HD   PRO  58           HD2      PRO  58  -2.983  -9.283  -4.325
  456   2HD   PRO  58           HD1      PRO  58  -2.292  -7.636  -4.235
  457    H    GLN  59           H        GLN  59  -5.366  -9.777  -4.557
  458    HA   GLN  59           HA       GLN  59  -7.554 -11.003  -5.942
  459   1HB   GLN  59           HB1      GLN  59  -6.813 -10.848  -3.008
  460   2HB   GLN  59           HB2      GLN  59  -8.041 -11.969  -3.703
  461   1HG   GLN  59           HG1      GLN  59  -6.285 -13.392  -3.668
  462   2HG   GLN  59           HG2      GLN  59  -5.974 -12.641  -5.242
  463   1HE2  GLN  59          1HE2      GLN  59  -2.712 -12.404  -3.933
  464   2HE2  GLN  59          2HE2      GLN  59  -3.696 -12.557  -5.407
  465    H    ILE  60           H        ILE  60  -7.039  -8.403  -3.409
  466    HA   ILE  60           HA       ILE  60  -9.829  -7.810  -3.234
  467    HB   ILE  60           HB       ILE  60  -8.397  -8.120  -1.275
  468   1HG1  ILE  60          1HG1      ILE  60  -9.239  -5.704  -0.233
  469   2HG1  ILE  60          2HG1      ILE  60 -10.380  -5.938  -1.568
  470   1HG2  ILE  60          1HG2      ILE  60  -6.569  -6.711  -2.315
  471   2HG2  ILE  60          2HG2      ILE  60  -7.253  -5.432  -1.294
  472   3HG2  ILE  60          3HG2      ILE  60  -6.663  -6.946  -0.580
  473   1HD1  ILE  60           HD3      ILE  60 -10.681  -8.341  -0.549
  474   2HD1  ILE  60           HD1      ILE  60  -9.894  -7.558   0.825
  475   3HD1  ILE  60           HD2      ILE  60 -11.509  -7.035   0.260
  476    H    ALA  61           H        ALA  61  -9.094  -7.422  -5.741
  477    HA   ALA  61           HA       ALA  61  -8.547  -4.646  -6.255
  478   1HB   ALA  61           HB2      ALA  61  -7.637  -6.320  -7.742
  479   2HB   ALA  61           HB3      ALA  61  -9.238  -6.977  -8.054
  480   3HB   ALA  61           HB1      ALA  61  -8.769  -5.347  -8.622
  481    H    TYR  62           H        TYR  62 -11.510  -6.704  -6.166
  482    HA   TYR  62           HA       TYR  62 -13.363  -5.354  -7.601
  483   1HB   TYR  62           HB1      TYR  62 -14.977  -6.498  -6.188
  484   2HB   TYR  62           HB2      TYR  62 -13.523  -7.543  -6.406
  485    HD1  TYR  62           HD1      TYR  62 -11.840  -7.795  -4.617
  486    HD2  TYR  62           HD2      TYR  62 -15.613  -5.782  -4.048
  487    HE1  TYR  62           HE1      TYR  62 -11.367  -7.524  -2.180
  488    HE2  TYR  62           HE2      TYR  62 -14.840  -5.096  -1.738
  489    HH   TYR  62           HH       TYR  62 -13.602  -5.729  -0.015
  490    H    MET  63           H        MET  63 -12.246  -4.995  -4.285
  491    HA   MET  63           HA       MET  63 -13.949  -3.620  -2.842
  492   1HB   MET  63           HB1      MET  63 -11.788  -2.665  -1.747
  493   2HB   MET  63           HB2      MET  63 -12.067  -4.418  -1.826
  494   1HG   MET  63           HG1      MET  63  -9.981  -4.518  -2.761
  495   2HG   MET  63           HG2      MET  63 -10.791  -3.927  -4.202
  496   1HE   MET  63           HE1      MET  63  -9.706  -2.736  -5.470
  497   2HE   MET  63           HE2      MET  63  -8.945  -1.162  -5.274
  498   3HE   MET  63           HE3      MET  63  -7.996  -2.621  -5.016
  499    H    LEU  64           H        LEU  64 -11.909  -2.013  -5.336
  500    HA   LEU  64           HA       LEU  64 -11.093   0.251  -4.074
  501   1HB   LEU  64           HB1      LEU  64 -10.524  -0.692  -6.441
  502   2HB   LEU  64           HB2      LEU  64 -12.037   0.052  -7.053
  503    HG   LEU  64           HG       LEU  64 -10.504   2.060  -5.838
  504   1HD1  LEU  64          3HD1      LEU  64  -8.795   0.032  -6.924
  505   2HD1  LEU  64          1HD1      LEU  64  -8.422   1.693  -7.424
  506   3HD1  LEU  64          2HD1      LEU  64  -8.458   1.234  -5.727
  507   1HD2  LEU  64          2HD2      LEU  64 -11.678   1.360  -8.472
  508   2HD2  LEU  64          3HD2      LEU  64 -11.696   2.903  -7.666
  509   3HD2  LEU  64          1HD2      LEU  64 -10.225   2.412  -8.548
  510    HA   PRO  65           HA       PRO  65 -15.347   2.331  -5.272
  511   1HB   PRO  65           HB1      PRO  65 -17.169  -0.083  -4.935
  512   2HB   PRO  65           HB2      PRO  65 -17.348   1.331  -6.003
  513   1HG   PRO  65           HG1      PRO  65 -16.444  -1.050  -6.977
  514   2HG   PRO  65           HG2      PRO  65 -15.648   0.450  -7.537
  515   1HD   PRO  65           HD2      PRO  65 -14.870  -1.394  -5.172
  516   2HD   PRO  65           HD1      PRO  65 -13.765  -0.889  -6.484
  517    H    GLU  66           H        GLU  66 -15.266  -0.272  -2.987
  518    HA   GLU  66           HA       GLU  66 -16.815   0.944  -0.922
  519   1HB   GLU  66           HB1      GLU  66 -16.569  -1.517  -1.298
  520   2HB   GLU  66           HB2      GLU  66 -14.909  -1.422  -0.693
  521   1HG   GLU  66           HG1      GLU  66 -15.814  -1.858   1.371
  522   2HG   GLU  66           HG2      GLU  66 -16.217  -0.106   1.342
  523    H    ILE  67           H        ILE  67 -13.231   0.451  -1.406
  524    HA   ILE  67           HA       ILE  67 -12.177   1.907   0.779
  525    HB   ILE  67           HB       ILE  67 -11.091   1.676  -2.016
  526   1HG1  ILE  67          1HG1      ILE  67 -10.689  -0.548  -1.295
  527   2HG1  ILE  67          2HG1      ILE  67  -9.332   0.273  -0.483
  528   1HG2  ILE  67          2HG2      ILE  67 -10.387   3.590  -0.280
  529   2HG2  ILE  67          3HG2      ILE  67  -9.146   2.380  -0.038
  530   3HG2  ILE  67          1HG2      ILE  67  -9.549   2.937  -1.691
  531   1HD1  ILE  67           HD1      ILE  67 -11.735   0.123   1.163
  532   2HD1  ILE  67           HD2      ILE  67 -11.091  -1.475   0.769
  533   3HD1  ILE  67           HD3      ILE  67 -10.038  -0.323   1.544
  534    H    GLN  68           H        GLN  68 -12.868   2.960  -2.597
  535    HA   GLN  68           HA       GLN  68 -12.233   5.664  -2.405
  536   1HB   GLN  68           HB1      GLN  68 -13.800   3.802  -4.222
  537   2HB   GLN  68           HB2      GLN  68 -14.091   5.545  -4.441
  538   1HG   GLN  68           HG1      GLN  68 -12.128   4.078  -5.694
  539   2HG   GLN  68           HG2      GLN  68 -12.107   5.855  -5.482
  540   1HE2  GLN  68          1HE2      GLN  68  -9.706   5.777  -2.854
  541   2HE2  GLN  68          2HE2      GLN  68 -10.590   6.822  -3.977
  542    H    ARG  69           H        ARG  69 -15.282   3.841  -1.664
  543    HA   ARG  69           HA       ARG  69 -16.963   6.234  -1.613
  544   1HB   ARG  69           HB1      ARG  69 -18.763   4.778  -1.660
  545   2HB   ARG  69           HB2      ARG  69 -17.532   3.733  -2.418
  546   1HG   ARG  69           HG1      ARG  69 -18.267   2.204  -0.907
  547   2HG   ARG  69           HG2      ARG  69 -17.075   3.014   0.146
  548   1HD   ARG  69           HD1      ARG  69 -18.747   3.466   1.599
  549   2HD   ARG  69           HD2      ARG  69 -19.552   4.477   0.384
  550    HE   ARG  69           HE       ARG  69 -19.905   1.528   0.209
  551   1HH1  ARG  69          2HH1      ARG  69 -21.267   4.500   1.203
  552   2HH1  ARG  69          1HH1      ARG  69 -22.997   3.742   1.350
  553   1HH2  ARG  69          2HH2      ARG  69 -21.900   0.873   0.066
  554   2HH2  ARG  69          1HH2      ARG  69 -23.329   1.985   0.699
  555    H    LEU  70           H        LEU  70 -14.777   4.655   0.442
  556    HA   LEU  70           HA       LEU  70 -16.055   5.437   2.952
  557   1HB   LEU  70           HB1      LEU  70 -14.918   3.071   2.458
  558   2HB   LEU  70           HB2      LEU  70 -13.400   3.975   2.308
  559    HG   LEU  70           HG       LEU  70 -13.265   4.385   4.550
  560   1HD1  LEU  70          1HD1      LEU  70 -16.125   4.072   4.823
  561   2HD1  LEU  70          2HD1      LEU  70 -15.199   3.571   6.214
  562   3HD1  LEU  70          3HD1      LEU  70 -14.934   5.158   5.611
  563   1HD2  LEU  70          1HD2      LEU  70 -14.342   1.574   4.116
  564   2HD2  LEU  70          2HD2      LEU  70 -12.643   2.135   3.922
  565   3HD2  LEU  70          3HD2      LEU  70 -13.364   2.030   5.519
  566    H    LEU  71           H        LEU  71 -12.795   5.657   1.256
  567    HA   LEU  71           HA       LEU  71 -12.100   8.037   2.773
  568   1HB   LEU  71           HB1      LEU  71 -10.643   6.259   3.500
  569   2HB   LEU  71           HB2      LEU  71 -10.957   5.353   1.994
  570    HG   LEU  71           HG       LEU  71  -9.337   6.860   0.883
  571   1HD1  LEU  71          1HD1      LEU  71  -8.982   8.055   3.532
  572   2HD1  LEU  71          2HD1      LEU  71  -7.756   8.208   2.270
  573   3HD1  LEU  71          3HD1      LEU  71  -9.403   8.775   1.954
  574   1HD2  LEU  71          3HD2      LEU  71  -8.752   4.859   3.082
  575   2HD2  LEU  71          1HD2      LEU  71  -8.038   4.913   1.463
  576   3HD2  LEU  71          2HD2      LEU  71  -7.424   5.951   2.788
  577    HA   PRO  72           HA       PRO  72 -13.336   8.207  -1.714
  578   1HB   PRO  72           HB1      PRO  72 -12.818  11.165  -1.253
  579   2HB   PRO  72           HB2      PRO  72 -14.065  10.444  -2.281
  580   1HG   PRO  72           HG1      PRO  72 -14.576  11.139   0.421
  581   2HG   PRO  72           HG2      PRO  72 -15.429   9.804  -0.434
  582   1HD   PRO  72           HD2      PRO  72 -13.411   9.614   1.749
  583   2HD   PRO  72           HD1      PRO  72 -14.344   8.268   1.033
  584    H    ASN  73           H        ASN  73 -10.633  10.341  -0.917
  585    HA   ASN  73           HA       ASN  73  -9.568   9.977  -3.678
  586   1HB   ASN  73           HB1      ASN  73 -10.135  11.997  -4.452
  587   2HB   ASN  73           HB2      ASN  73 -11.361  11.964  -3.144
  588   1HD2  ASN  73          1HD2      ASN  73  -8.985  14.169  -1.199
  589   2HD2  ASN  73          2HD2      ASN  73  -9.937  12.691  -0.853
  590    H    LYS  74           H        LYS  74  -8.605   9.301  -0.815
  591    HA   LYS  74           HA       LYS  74  -5.974  10.391  -1.146
  592   1HB   LYS  74           HB1      LYS  74  -7.038   8.071   0.496
  593   2HB   LYS  74           HB2      LYS  74  -5.289   8.438   0.347
  594   1HG   LYS  74           HG1      LYS  74  -6.229  10.939   0.915
  595   2HG   LYS  74           HG2      LYS  74  -7.477   9.985   1.735
  596   1HD   LYS  74           HD1      LYS  74  -5.196   8.760   2.624
  597   2HD   LYS  74           HD2      LYS  74  -4.604  10.423   2.411
  598   1HE   LYS  74           HE1      LYS  74  -7.318  10.061   3.733
  599   2HE   LYS  74           HE2      LYS  74  -5.864   9.659   4.704
  600   1HZ   LYS  74           HZ1      LYS  74  -5.001  11.843   4.137
  601   2HZ   LYS  74           HZ2      LYS  74  -6.486  12.200   3.403
  602   3HZ   LYS  74           HZ3      LYS  74  -6.435  11.878   5.076
  603    HA   PRO  75           HA       PRO  75  -4.646   7.691  -4.307
  604   1HB   PRO  75           HB1      PRO  75  -1.844   7.505  -3.584
  605   2HB   PRO  75           HB2      PRO  75  -2.635   8.678  -4.645
  606   1HG   PRO  75           HG1      PRO  75  -1.590   9.338  -2.113
  607   2HG   PRO  75           HG2      PRO  75  -2.758  10.336  -3.008
  608   1HD   PRO  75           HD2      PRO  75  -3.342   8.315  -0.732
  609   2HD   PRO  75           HD1      PRO  75  -4.089   9.899  -1.031
  610    H    VAL  76           H        VAL  76  -5.953   5.955  -3.564
  611    HA   VAL  76           HA       VAL  76  -4.659   3.570  -2.524
  612    HB   VAL  76           HB       VAL  76  -7.459   3.767  -3.616
  613   1HG1  VAL  76          3HG1      VAL  76  -6.340   1.506  -3.048
  614   2HG1  VAL  76          1HG1      VAL  76  -6.749   1.995  -1.417
  615   3HG1  VAL  76          2HG1      VAL  76  -7.995   1.900  -2.694
  616   1HG2  VAL  76          1HG2      VAL  76  -6.741   5.532  -1.669
  617   2HG2  VAL  76          2HG2      VAL  76  -8.318   4.726  -1.649
  618   3HG2  VAL  76          3HG2      VAL  76  -6.998   4.125  -0.639
  619    H    GLU  77           H        GLU  77  -3.769   1.972  -3.866
  620    HA   GLU  77           HA       GLU  77  -4.965   1.536  -6.516
  621   1HB   GLU  77           HB1      GLU  77  -2.119   2.348  -5.935
  622   2HB   GLU  77           HB2      GLU  77  -2.308   0.972  -7.066
  623   1HG   GLU  77           HG1      GLU  77  -4.125   3.285  -7.635
  624   2HG   GLU  77           HG2      GLU  77  -2.423   3.686  -7.702
  625    H    VAL  78           H        VAL  78  -5.465  -0.597  -6.787
  626    HA   VAL  78           HA       VAL  78  -4.962  -2.738  -5.143
  627    HB   VAL  78           HB       VAL  78  -5.171  -3.123  -8.097
  628   1HG1  VAL  78          1HG1      VAL  78  -4.856  -4.960  -6.509
  629   2HG1  VAL  78          2HG1      VAL  78  -6.610  -4.774  -6.199
  630   3HG1  VAL  78          3HG1      VAL  78  -6.076  -5.161  -7.795
  631   1HG2  VAL  78          1HG2      VAL  78  -7.016  -1.670  -6.298
  632   2HG2  VAL  78          2HG2      VAL  78  -7.089  -1.739  -8.028
  633   3HG2  VAL  78          3HG2      VAL  78  -7.765  -3.075  -7.162
  634    H    ILE  79           H        ILE  79  -3.197  -4.402  -5.206
  635    HA   ILE  79           HA       ILE  79  -0.596  -3.560  -6.308
  636    HB   ILE  79           HB       ILE  79  -1.156  -5.765  -4.405
  637   1HG1  ILE  79          1HG1      ILE  79  -0.069  -2.959  -3.826
  638   2HG1  ILE  79          2HG1      ILE  79  -1.707  -3.501  -3.445
  639   1HG2  ILE  79          3HG2      ILE  79   1.520  -4.941  -5.399
  640   2HG2  ILE  79          1HG2      ILE  79   1.159  -5.748  -3.900
  641   3HG2  ILE  79          2HG2      ILE  79   0.678  -6.442  -5.493
  642   1HD1  ILE  79           HD2      ILE  79   0.149  -5.335  -2.148
  643   2HD1  ILE  79           HD3      ILE  79   0.616  -3.681  -1.810
  644   3HD1  ILE  79           HD1      ILE  79  -1.068  -4.205  -1.552
  645    H    ASP  80           H        ASP  80   0.759  -5.359  -7.216
  646    HA   ASP  80           HA       ASP  80  -0.545  -7.201  -9.032
  647   1HB   ASP  80           HB1      ASP  80   2.031  -5.771  -8.806
  648   2HB   ASP  80           HB2      ASP  80   2.231  -7.457  -9.251
  649    H    SER  81           H        SER  81   0.666  -9.440  -9.095
  650    HA   SER  81           HA       SER  81  -0.136 -10.520  -6.507
  651   1HB   SER  81           HB1      SER  81  -1.802 -10.940  -8.090
  652   2HB   SER  81           HB2      SER  81  -0.567 -11.249  -9.357
  653    HG   SER  81           HG       SER  81  -1.674 -13.205  -8.497
  654    H    LEU  82           H        LEU  82   2.319 -10.310  -8.921
  655    HA   LEU  82           HA       LEU  82   3.807 -12.721  -8.174
  656   1HB   LEU  82           HB1      LEU  82   3.417 -10.885 -10.515
  657   2HB   LEU  82           HB2      LEU  82   5.019 -11.632 -10.353
  658    HG   LEU  82           HG       LEU  82   2.971 -13.628 -10.048
  659   1HD1  LEU  82          1HD1      LEU  82   2.334 -11.914 -12.359
  660   2HD1  LEU  82          2HD1      LEU  82   1.784 -13.564 -12.189
  661   3HD1  LEU  82          3HD1      LEU  82   1.387 -12.434 -10.917
  662   1HD2  LEU  82          3HD2      LEU  82   5.386 -13.973 -10.859
  663   2HD2  LEU  82          1HD2      LEU  82   4.116 -14.792 -11.782
  664   3HD2  LEU  82          2HD2      LEU  82   4.891 -13.329 -12.435
  665    H    LEU  83           H        LEU  83   3.872  -9.087  -8.398
  666    HA   LEU  83           HA       LEU  83   6.446  -8.639  -7.337
  667   1HB   LEU  83           HB1      LEU  83   3.764  -7.108  -7.511
  668   2HB   LEU  83           HB2      LEU  83   5.277  -6.259  -7.055
  669    HG   LEU  83           HG       LEU  83   4.117  -6.992  -9.674
  670   1HD1  LEU  83          2HD1      LEU  83   5.134  -4.479  -8.560
  671   2HD1  LEU  83          3HD1      LEU  83   5.567  -4.867 -10.212
  672   3HD1  LEU  83          1HD1      LEU  83   3.868  -4.969  -9.680
  673   1HD2  LEU  83          1HD2      LEU  83   6.159  -8.401  -9.676
  674   2HD2  LEU  83          2HD2      LEU  83   6.371  -7.004 -10.768
  675   3HD2  LEU  83          3HD2      LEU  83   7.185  -7.011  -9.219
  676    H    TYR  84           H        TYR  84   3.049  -8.756  -6.200
  677    HA   TYR  84           HA       TYR  84   3.209  -8.409  -3.483
  678   1HB   TYR  84           HB1      TYR  84   1.287  -8.685  -5.144
  679   2HB   TYR  84           HB2      TYR  84   1.421 -10.445  -4.900
  680    HD1  TYR  84           HD1      TYR  84   1.308  -7.392  -2.628
  681    HD2  TYR  84           HD2      TYR  84  -0.414 -11.173  -3.816
  682    HE1  TYR  84           HE1      TYR  84   0.031  -7.444  -0.470
  683    HE2  TYR  84           HE2      TYR  84  -1.852 -11.149  -1.755
  684    HH   TYR  84           HH       TYR  84  -2.148 -10.263   0.258
  685    H    GLY  85           H        GLY  85   2.757 -11.808  -4.707
  686   1HA   GLY  85           HA1      GLY  85   3.815 -12.860  -2.247
  687   2HA   GLY  85           HA2      GLY  85   3.310 -13.789  -3.708
  688    H    LYS  86           H        LYS  86   5.595 -11.716  -4.961
  689    HA   LYS  86           HA       LYS  86   7.854 -13.430  -4.172
  690   1HB   LYS  86           HB1      LYS  86   7.898 -11.875  -6.745
  691   2HB   LYS  86           HB2      LYS  86   8.797 -13.339  -6.311
  692   1HG   LYS  86           HG1      LYS  86   6.077 -14.127  -6.109
  693   2HG   LYS  86           HG2      LYS  86   6.142 -13.063  -7.538
  694   1HD   LYS  86           HD1      LYS  86   7.598 -14.456  -8.672
  695   2HD   LYS  86           HD2      LYS  86   8.133 -15.320  -7.222
  696   1HE   LYS  86           HE1      LYS  86   6.535 -16.876  -8.051
  697   2HE   LYS  86           HE2      LYS  86   5.465 -15.863  -7.010
  698   1HZ   LYS  86           HZ1      LYS  86   5.009 -14.542  -8.988
  699   2HZ   LYS  86           HZ2      LYS  86   5.872 -15.650  -9.936
  700   3HZ   LYS  86           HZ3      LYS  86   4.453 -16.159  -9.113
  701    H    VAL  87           H        VAL  87   6.474 -10.465  -3.639
  702    HA   VAL  87           HA       VAL  87   7.066  -8.907  -2.173
  703    HB   VAL  87           HB       VAL  87   8.494  -9.577  -0.394
  704   1HG1  VAL  87          1HG1      VAL  87   6.656 -11.527  -1.538
  705   2HG1  VAL  87          2HG1      VAL  87   7.465 -11.893   0.019
  706   3HG1  VAL  87          3HG1      VAL  87   6.412 -10.488  -0.128
  707   1HG2  VAL  87          1HG2      VAL  87  10.145 -10.906  -2.213
  708   2HG2  VAL  87          2HG2      VAL  87  10.205 -11.171  -0.474
  709   3HG2  VAL  87          3HG2      VAL  87   9.247 -12.244  -1.445
  710    H    ASP  88           H        ASP  88   7.672  -7.738  -4.212
  711    HA   ASP  88           HA       ASP  88  10.523  -6.850  -4.334
  712   1HB   ASP  88           HB1      ASP  88  10.019  -5.930  -6.524
  713   2HB   ASP  88           HB2      ASP  88   9.566  -7.631  -6.471
  714    H    GLY  89           H        GLY  89  10.105  -5.761  -2.210
  715   1HA   GLY  89           HA1      GLY  89   8.416  -3.701  -1.718
  716   2HA   GLY  89           HA2      GLY  89  10.059  -3.902  -1.023
  717    H    LEU  90           H        LEU  90  11.745  -3.388  -3.140
  718    HA   LEU  90           HA       LEU  90  12.135  -0.828  -3.759
  719   1HB   LEU  90           HB1      LEU  90  12.429  -3.577  -5.087
  720   2HB   LEU  90           HB2      LEU  90  12.697  -2.173  -6.168
  721    HG   LEU  90           HG       LEU  90  14.246  -2.763  -3.663
  722   1HD1  LEU  90          3HD1      LEU  90  14.422  -4.352  -5.683
  723   2HD1  LEU  90          1HD1      LEU  90  15.601  -3.095  -6.188
  724   3HD1  LEU  90          2HD1      LEU  90  15.798  -3.980  -4.681
  725   1HD2  LEU  90          1HD2      LEU  90  14.295  -0.543  -5.653
  726   2HD2  LEU  90          2HD2      LEU  90  14.683  -0.486  -3.927
  727   3HD2  LEU  90          3HD2      LEU  90  15.859  -1.093  -5.090
  728    H    GLY  91           H        GLY  91  10.477  -2.921  -6.293
  729   1HA   GLY  91           HA1      GLY  91   9.288  -0.926  -7.707
  730   2HA   GLY  91           HA2      GLY  91   8.725  -2.604  -7.648
  731    H    VAL  92           H        VAL  92   8.305  -2.076  -4.543
  732    HA   VAL  92           HA       VAL  92   5.493  -1.604  -4.942
  733    HB   VAL  92           HB       VAL  92   7.024  -2.874  -2.724
  734   1HG1  VAL  92          3HG1      VAL  92   4.766  -1.463  -2.069
  735   2HG1  VAL  92          1HG1      VAL  92   4.182  -3.061  -2.475
  736   3HG1  VAL  92          2HG1      VAL  92   5.425  -2.816  -1.209
  737   1HG2  VAL  92          3HG2      VAL  92   4.934  -3.843  -4.675
  738   2HG2  VAL  92          1HG2      VAL  92   6.684  -4.249  -4.642
  739   3HG2  VAL  92          2HG2      VAL  92   5.577  -4.840  -3.411
  740    H    LEU  93           H        LEU  93   8.344  -0.266  -3.272
  741    HA   LEU  93           HA       LEU  93   7.099   1.926  -1.962
  742   1HB   LEU  93           HB1      LEU  93   9.488   1.125  -1.522
  743   2HB   LEU  93           HB2      LEU  93   9.959   1.567  -3.185
  744    HG   LEU  93           HG       LEU  93   9.953   3.803  -2.699
  745   1HD1  LEU  93          1HD1      LEU  93   8.199   3.295  -0.449
  746   2HD1  LEU  93          2HD1      LEU  93   9.155   4.751  -0.432
  747   3HD1  LEU  93          3HD1      LEU  93   8.100   4.523  -1.778
  748   1HD2  LEU  93          2HD2      LEU  93  11.826   2.458  -1.602
  749   2HD2  LEU  93          3HD2      LEU  93  11.507   3.880  -0.611
  750   3HD2  LEU  93          1HD2      LEU  93  10.763   2.331  -0.164
  751    H    LYS  94           H        LYS  94   8.861   1.639  -5.207
  752    HA   LYS  94           HA       LYS  94   8.308   4.367  -5.897
  753   1HB   LYS  94           HB1      LYS  94  10.266   2.595  -6.609
  754   2HB   LYS  94           HB2      LYS  94   9.230   2.547  -8.062
  755   1HG   LYS  94           HG1      LYS  94   9.278   5.056  -8.174
  756   2HG   LYS  94           HG2      LYS  94  10.384   5.068  -6.784
  757   1HD   LYS  94           HD1      LYS  94  11.025   3.575  -9.349
  758   2HD   LYS  94           HD2      LYS  94  11.393   5.301  -9.141
  759   1HE   LYS  94           HE1      LYS  94  12.753   4.819  -7.122
  760   2HE   LYS  94           HE2      LYS  94  12.439   3.064  -7.289
  761   1HZ   LYS  94           HZ1      LYS  94  13.428   3.258  -9.532
  762   2HZ   LYS  94           HZ2      LYS  94  13.842   4.852  -9.152
  763   3HZ   LYS  94           HZ3      LYS  94  14.520   3.543  -8.251
  764    H    ALA  95           H        ALA  95   6.590   1.321  -6.345
  765    HA   ALA  95           HA       ALA  95   4.677   2.185  -8.204
  766   1HB   ALA  95           HB3      ALA  95   5.105  -0.130  -6.793
  767   2HB   ALA  95           HB1      ALA  95   3.737   0.540  -5.895
  768   3HB   ALA  95           HB2      ALA  95   3.609   0.226  -7.654
  769    H    ALA  96           H        ALA  96   4.891   2.538  -4.617
  770    HA   ALA  96           HA       ALA  96   2.424   3.743  -4.184
  771   1HB   ALA  96           HB2      ALA  96   4.095   2.658  -2.490
  772   2HB   ALA  96           HB3      ALA  96   4.769   4.309  -2.379
  773   3HB   ALA  96           HB1      ALA  96   3.094   4.010  -1.965
  774    H    VAL  97           H        VAL  97   5.754   4.989  -4.707
  775    HA   VAL  97           HA       VAL  97   5.502   7.685  -4.253
  776    HB   VAL  97           HB       VAL  97   7.562   7.789  -5.283
  777   1HG1  VAL  97          1HG1      VAL  97   7.632   6.505  -3.350
  778   2HG1  VAL  97          2HG1      VAL  97   7.574   5.023  -4.287
  779   3HG1  VAL  97          3HG1      VAL  97   8.956   6.072  -4.445
  780   1HG2  VAL  97          2HG2      VAL  97   6.952   5.506  -7.121
  781   2HG2  VAL  97          3HG2      VAL  97   7.134   7.180  -7.532
  782   3HG2  VAL  97          1HG2      VAL  97   8.515   6.295  -6.852
  783    H    ALA  98           H        ALA  98   5.134   5.853  -7.278
  784    HA   ALA  98           HA       ALA  98   4.779   7.954  -9.070
  785   1HB   ALA  98           HB1      ALA  98   4.200   5.002  -9.119
  786   2HB   ALA  98           HB2      ALA  98   3.583   6.002 -10.449
  787   3HB   ALA  98           HB3      ALA  98   5.318   5.919 -10.139
  788    H    ALA  99           H        ALA  99   2.541   6.197  -7.020
  789    HA   ALA  99           HA       ALA  99   0.110   7.245  -7.976
  790   1HB   ALA  99           HB3      ALA  99   0.099   5.239  -6.559
  791   2HB   ALA  99           HB1      ALA  99   0.826   6.131  -5.223
  792   3HB   ALA  99           HB2      ALA  99  -0.819   6.530  -5.774
  793    H    ILE 100           H        ILE 100   2.167   8.034  -5.122
  794    HA   ILE 100           HA       ILE 100   1.030  10.022  -3.789
  795    HB   ILE 100           HB       ILE 100   3.618   9.054  -4.076
  796   1HG1  ILE 100          1HG1      ILE 100   2.160   9.110  -2.024
  797   2HG1  ILE 100          2HG1      ILE 100   3.769   9.782  -1.729
  798   1HG2  ILE 100          3HG2      ILE 100   4.059  11.312  -5.237
  799   2HG2  ILE 100          1HG2      ILE 100   3.959  11.902  -3.565
  800   3HG2  ILE 100          2HG2      ILE 100   5.139  10.652  -4.021
  801   1HD1  ILE 100           HD3      ILE 100   1.738  11.783  -2.489
  802   2HD1  ILE 100           HD1      ILE 100   1.427  10.849  -1.014
  803   3HD1  ILE 100           HD2      ILE 100   2.875  11.840  -1.134
  804    H    LYS 101           H        LYS 101   3.099  10.448  -6.675
  805    HA   LYS 101           HA       LYS 101   2.513  13.303  -6.910
  806   1HB   LYS 101           HB1      LYS 101   4.637  11.562  -7.693
  807   2HB   LYS 101           HB2      LYS 101   3.941  12.228  -9.176
  808   1HG   LYS 101           HG1      LYS 101   4.099  14.551  -8.109
  809   2HG   LYS 101           HG2      LYS 101   5.016  13.784  -6.767
  810   1HD   LYS 101           HD1      LYS 101   6.843  13.210  -8.184
  811   2HD   LYS 101           HD2      LYS 101   5.966  13.645  -9.650
  812   1HE   LYS 101           HE1      LYS 101   5.886  16.036  -8.881
  813   2HE   LYS 101           HE2      LYS 101   6.706  15.570  -7.352
  814   1HZ   LYS 101           HZ1      LYS 101   8.541  14.749  -8.704
  815   2HZ   LYS 101           HZ2      LYS 101   7.829  15.413 -10.085
  816   3HZ   LYS 101           HZ3      LYS 101   8.298  16.445  -8.826
  817    H    LYS 102           H        LYS 102   1.173  10.343  -8.177
  818    HA   LYS 102           HA       LYS 102  -0.280  11.722 -10.265
  819   1HB   LYS 102           HB1      LYS 102   0.388   9.459 -10.742
  820   2HB   LYS 102           HB2      LYS 102  -0.413   8.857  -9.258
  821   1HG   LYS 102           HG1      LYS 102  -2.215  10.421 -11.103
  822   2HG   LYS 102           HG2      LYS 102  -1.569   8.938 -11.806
  823   1HD   LYS 102           HD1      LYS 102  -2.424   7.713  -9.690
  824   2HD   LYS 102           HD2      LYS 102  -3.322   9.219  -9.353
  825   1HE   LYS 102           HE1      LYS 102  -4.304   9.075 -11.701
  826   2HE   LYS 102           HE2      LYS 102  -3.478   7.506 -11.905
  827   1HZ   LYS 102           HZ1      LYS 102  -4.644   6.738  -9.934
  828   2HZ   LYS 102           HZ2      LYS 102  -5.525   8.189  -9.903
  829   3HZ   LYS 102           HZ3      LYS 102  -5.696   7.139 -11.225
  830    H    ALA 103           H        ALA 103  -0.433  11.994  -7.086
  831    HA   ALA 103           HA       ALA 103  -3.312  11.605  -6.685
  832   1HB   ALA 103           HB2      ALA 103  -0.926  11.974  -4.833
  833   2HB   ALA 103           HB3      ALA 103  -2.550  12.364  -4.244
  834   3HB   ALA 103           HB1      ALA 103  -2.183  10.739  -4.839
  835    H    ALA 104           H        ALA 104  -0.759  14.142  -6.500
  836    HA   ALA 104           HA       ALA 104  -2.763  16.217  -7.085
  837   1HB   ALA 104           HB1      ALA 104  -1.860  15.958  -4.476
  838   2HB   ALA 104           HB2      ALA 104  -0.807  17.200  -5.107
  839   3HB   ALA 104           HB3      ALA 104  -2.560  17.425  -5.186
  840    H    ALA 105           H        ALA 105  -1.992  16.845  -9.048
  841    HA   ALA 105           HA       ALA 105  -0.065  18.568  -9.570
  842   1HB   ALA 105           HB2      ALA 105   1.412  16.472  -8.714
  843   2HB   ALA 105           HB3      ALA 105   1.309  16.068 -10.443
  844   3HB   ALA 105           HB1      ALA 105   2.000  17.602  -9.953
  845    H    ASN 106           H        ASN 106   1.069  17.907 -12.043
  846    HA   ASN 106           HA       ASN 106  -0.875  18.179 -13.948
  847   1HB   ASN 106           HB1      ASN 106   1.799  16.784 -14.427
  848   2HB   ASN 106           HB2      ASN 106   0.861  17.726 -15.592
  849   1HD2  ASN 106          1HD2      ASN 106   3.332  20.167 -14.774
  850   2HD2  ASN 106          2HD2      ASN 106   3.201  18.661 -15.713
   
  No H/Q in entry =         850
  Start of MODEL   16
    1    H    MET   1           H        MET   1   9.622  16.863   7.857
    2    HA   MET   1           HA       MET   1   6.880  17.412   7.228
    3   1HB   MET   1           HB1      MET   1   7.134  18.715   5.258
    4   2HB   MET   1           HB2      MET   1   8.233  19.482   6.433
    5   1HG   MET   1           HG1      MET   1  10.133  18.182   5.365
    6   2HG   MET   1           HG2      MET   1   8.985  17.547   4.195
    7   1HE   MET   1           HE1      MET   1  10.378  18.157   2.416
    8   2HE   MET   1           HE2      MET   1   8.815  18.734   1.752
    9   3HE   MET   1           HE3      MET   1  10.262  19.676   1.492
   10    H    GLU   2           H        GLU   2  10.091  16.305   5.903
   11    HA   GLU   2           HA       GLU   2   9.274  13.975   4.616
   12   1HB   GLU   2           HB1      GLU   2  11.793  14.764   6.095
   13   2HB   GLU   2           HB2      GLU   2  11.622  13.157   5.373
   14   1HG   GLU   2           HG1      GLU   2  10.926  15.386   3.553
   15   2HG   GLU   2           HG2      GLU   2  12.622  15.298   4.046
   16    H    LYS   3           H        LYS   3   9.002  11.737   5.419
   17    HA   LYS   3           HA       LYS   3   8.563  10.185   7.097
   18   1HB   LYS   3           HB1      LYS   3   8.765  12.459   8.899
   19   2HB   LYS   3           HB2      LYS   3   7.289  11.544   9.205
   20   1HG   LYS   3           HG1      LYS   3   8.837   9.416   8.925
   21   2HG   LYS   3           HG2      LYS   3  10.194  10.552   9.230
   22   1HD   LYS   3           HD1      LYS   3   9.305  11.026  11.452
   23   2HD   LYS   3           HD2      LYS   3   7.807  10.136  11.091
   24   1HE   LYS   3           HE1      LYS   3   9.110   7.998  10.977
   25   2HE   LYS   3           HE2      LYS   3  10.635   8.912  11.100
   26   1HZ   LYS   3           HZ1      LYS   3   9.817   9.733  13.252
   27   2HZ   LYS   3           HZ2      LYS   3   8.454   8.740  13.105
   28   3HZ   LYS   3           HZ3      LYS   3  10.029   8.047  13.223
   29    H    LYS   4           H        LYS   4   6.737   9.030   6.880
   30    HA   LYS   4           HA       LYS   4   4.275   9.587   7.701
   31   1HB   LYS   4           HB1      LYS   4   4.684  11.390   5.632
   32   2HB   LYS   4           HB2      LYS   4   3.434  10.271   5.005
   33   1HG   LYS   4           HG1      LYS   4   2.294  12.006   6.276
   34   2HG   LYS   4           HG2      LYS   4   2.218  10.501   7.221
   35   1HD   LYS   4           HD1      LYS   4   4.462  11.560   8.290
   36   2HD   LYS   4           HD2      LYS   4   3.661  13.065   7.800
   37   1HE   LYS   4           HE1      LYS   4   2.125  10.891   9.314
   38   2HE   LYS   4           HE2      LYS   4   3.060  12.163  10.168
   39   1HZ   LYS   4           HZ1      LYS   4   1.815  13.807   8.880
   40   2HZ   LYS   4           HZ2      LYS   4   0.828  12.565   8.304
   41   3HZ   LYS   4           HZ3      LYS   4   0.853  12.881   9.965
   42    H    HIS   5           H        HIS   5   2.481   8.271   6.868
   43    HA   HIS   5           HA       HIS   5   3.463   5.647   6.616
   44   1HB   HIS   5           HB1      HIS   5   0.500   6.072   6.388
   45   2HB   HIS   5           HB2      HIS   5   1.452   4.920   7.322
   46    HD1  HIS   5           HD1      HIS   5  -0.030   8.387   7.692
   47    HD2  HIS   5           HD2      HIS   5   2.764   5.910   9.597
   48    HE1  HIS   5           HE1      HIS   5  -0.052   8.948  10.284
   49    H    ILE   6           H        ILE   6   3.661   4.241   5.034
   50    HA   ILE   6           HA       ILE   6   1.997   4.395   2.622
   51    HB   ILE   6           HB       ILE   6   4.648   3.153   2.968
   52   1HG1  ILE   6          1HG1      ILE   6   3.720   5.318   1.043
   53   2HG1  ILE   6          2HG1      ILE   6   4.636   5.623   2.558
   54   1HG2  ILE   6          3HG2      ILE   6   3.043   1.656   1.730
   55   2HG2  ILE   6          1HG2      ILE   6   3.042   2.923   0.518
   56   3HG2  ILE   6          2HG2      ILE   6   4.533   2.054   0.914
   57   1HD1  ILE   6           HD3      ILE   6   6.242   3.814   1.188
   58   2HD1  ILE   6           HD1      ILE   6   5.560   4.899  -0.059
   59   3HD1  ILE   6           HD2      ILE   6   6.549   5.520   1.261
   60    H    TYR   7           H        TYR   7   0.221   3.551   3.749
   61    HA   TYR   7           HA       TYR   7   0.188   0.728   4.773
   62   1HB   TYR   7           HB1      TYR   7  -2.004   2.818   4.401
   63   2HB   TYR   7           HB2      TYR   7  -2.184   1.186   5.162
   64    HD1  TYR   7           HD1      TYR   7   0.500   1.409   6.690
   65    HD2  TYR   7           HD2      TYR   7  -2.885   3.978   6.225
   66    HE1  TYR   7           HE1      TYR   7   1.133   2.568   8.848
   67    HE2  TYR   7           HE2      TYR   7  -2.566   4.869   8.590
   68    HH   TYR   7           HH       TYR   7  -1.309   4.821  10.366
   69    H    LEU   8           H        LEU   8  -1.224  -0.713   3.913
   70    HA   LEU   8           HA       LEU   8  -1.952  -0.755   1.068
   71   1HB   LEU   8           HB1      LEU   8   0.546  -0.978   1.285
   72   2HB   LEU   8           HB2      LEU   8   0.255  -2.183   2.567
   73    HG   LEU   8           HG       LEU   8  -0.339  -2.710  -0.341
   74   1HD1  LEU   8          1HD1      LEU   8   2.144  -3.287   0.989
   75   2HD1  LEU   8          2HD1      LEU   8   1.638  -4.025  -0.546
   76   3HD1  LEU   8          3HD1      LEU   8   1.800  -2.293  -0.447
   77   1HD2  LEU   8          3HD2      LEU   8  -0.550  -3.976   2.436
   78   2HD2  LEU   8          1HD2      LEU   8  -1.697  -4.154   1.111
   79   3HD2  LEU   8          2HD2      LEU   8  -0.183  -5.021   0.984
   80    H    PHE   9           H        PHE   9  -3.319  -2.784   0.788
   81    HA   PHE   9           HA       PHE   9  -4.416  -3.732   3.272
   82   1HB   PHE   9           HB1      PHE   9  -5.583  -1.926   1.134
   83   2HB   PHE   9           HB2      PHE   9  -6.606  -2.604   2.422
   84    HD1  PHE   9           HD2      PHE   9  -4.391  -2.144   4.663
   85    HD2  PHE   9           HD1      PHE   9  -5.633   0.361   1.387
   86    HE1  PHE   9           HE2      PHE   9  -4.679  -0.193   6.249
   87    HE2  PHE   9           HE1      PHE   9  -5.577   2.361   2.932
   88    HZ   PHE   9           HZ       PHE   9  -4.490   2.070   5.196
   89    H    SER  10           H        SER  10  -4.859  -6.034   2.810
   90    HA   SER  10           HA       SER  10  -5.013  -6.803  -0.006
   91   1HB   SER  10           HB1      SER  10  -2.557  -6.207   1.056
   92   2HB   SER  10           HB2      SER  10  -2.626  -7.982   1.227
   93    HG   SER  10           HG       SER  10  -1.775  -7.201  -0.879
   94    H    SER  11           H        SER  11  -4.410  -9.460  -0.048
   95    HA   SER  11           HA       SER  11  -7.021 -10.222   1.021
   96   1HB   SER  11           HB1      SER  11  -6.015 -10.394  -1.493
   97   2HB   SER  11           HB2      SER  11  -5.459 -11.963  -0.794
   98    HG   SER  11           HG       SER  11  -7.635 -12.003  -1.796
   99    H    ALA  12           H        ALA  12  -3.625 -10.993   1.344
  100    HA   ALA  12           HA       ALA  12  -4.117 -12.972   3.376
  101   1HB   ALA  12           HB2      ALA  12  -2.803 -13.551   0.714
  102   2HB   ALA  12           HB3      ALA  12  -2.259 -14.405   2.169
  103   3HB   ALA  12           HB1      ALA  12  -3.953 -14.548   1.651
  104    H    GLY  13           H        GLY  13  -3.317 -10.941   4.438
  105   1HA   GLY  13           HA1      GLY  13  -1.579  -9.466   5.009
  106   2HA   GLY  13           HA2      GLY  13  -1.228 -10.981   5.918
  107    H    MET  14           H        MET  14   0.280 -12.564   4.772
  108    HA   MET  14           HA       MET  14   2.674 -10.949   4.214
  109   1HB   MET  14           HB1      MET  14   2.970 -13.946   4.573
  110   2HB   MET  14           HB2      MET  14   3.867 -12.671   5.368
  111   1HG   MET  14           HG1      MET  14   1.092 -13.637   6.073
  112   2HG   MET  14           HG2      MET  14   2.618 -13.974   6.940
  113   1HE   MET  14           HE2      MET  14   0.218 -13.405   8.235
  114   2HE   MET  14           HE3      MET  14   0.595 -12.199   9.504
  115   3HE   MET  14           HE1      MET  14  -0.489 -11.791   8.112
  116    H    SER  15           H        SER  15   0.477 -11.745   2.224
  117    HA   SER  15           HA       SER  15   2.369 -12.217   0.070
  118   1HB   SER  15           HB1      SER  15   0.442 -11.778  -1.420
  119   2HB   SER  15           HB2      SER  15   0.094 -13.114  -0.293
  120    HG   SER  15           HG       SER  15  -1.629 -11.516  -0.494
  121    H    THR  16           H        THR  16   1.376  -9.886   2.161
  122    HA   THR  16           HA       THR  16   2.840  -7.784   0.605
  123    HB   THR  16           HB       THR  16   0.769  -6.747   0.576
  124    HG1  THR  16           HG1      THR  16   1.445  -4.839   1.849
  125   1HG2  THR  16          2HG2      THR  16   0.249  -7.228   3.449
  126   2HG2  THR  16          3HG2      THR  16  -0.605  -6.094   2.426
  127   3HG2  THR  16          1HG2      THR  16  -0.619  -7.805   2.010
  128    H    SER  17           H        SER  17   2.209  -9.122   3.944
  129    HA   SER  17           HA       SER  17   3.150  -7.175   5.543
  130   1HB   SER  17           HB1      SER  17   3.439  -8.931   7.166
  131   2HB   SER  17           HB2      SER  17   2.417  -9.713   5.905
  132    HG   SER  17           HG       SER  17   4.282 -10.972   6.627
  133    H    LEU  18           H        LEU  18   4.871  -9.265   3.347
  134    HA   LEU  18           HA       LEU  18   7.554  -8.495   4.185
  135   1HB   LEU  18           HB1      LEU  18   6.097 -10.751   2.992
  136   2HB   LEU  18           HB2      LEU  18   7.314 -10.289   1.787
  137    HG   LEU  18           HG       LEU  18   8.160 -11.070   4.560
  138   1HD1  LEU  18          3HD1      LEU  18   6.710 -12.784   3.228
  139   2HD1  LEU  18          1HD1      LEU  18   8.384 -13.089   2.649
  140   3HD1  LEU  18          2HD1      LEU  18   7.957 -13.203   4.359
  141   1HD2  LEU  18          3HD2      LEU  18   9.458 -10.336   1.958
  142   2HD2  LEU  18          1HD2      LEU  18  10.137 -10.437   3.572
  143   3HD2  LEU  18          2HD2      LEU  18   9.909 -11.900   2.561
  144    H    LEU  19           H        LEU  19   5.207  -7.668   1.647
  145    HA   LEU  19           HA       LEU  19   6.791  -6.225  -0.229
  146   1HB   LEU  19           HB1      LEU  19   4.013  -6.314   1.052
  147   2HB   LEU  19           HB2      LEU  19   4.413  -4.840   0.144
  148    HG   LEU  19           HG       LEU  19   4.123  -7.598  -0.933
  149   1HD1  LEU  19          2HD1      LEU  19   2.076  -5.800  -0.432
  150   2HD1  LEU  19          3HD1      LEU  19   2.452  -5.696  -2.139
  151   3HD1  LEU  19          1HD1      LEU  19   2.104  -7.272  -1.311
  152   1HD2  LEU  19          2HD2      LEU  19   4.902  -5.016  -2.317
  153   2HD2  LEU  19          3HD2      LEU  19   5.909  -6.471  -2.270
  154   3HD2  LEU  19          1HD2      LEU  19   4.363  -6.495  -3.154
  155    H    VAL  20           H        VAL  20   4.860  -5.469   2.692
  156    HA   VAL  20           HA       VAL  20   5.654  -2.739   2.991
  157    HB   VAL  20           HB       VAL  20   4.085  -4.822   4.526
  158   1HG1  VAL  20          1HG1      VAL  20   5.305  -3.990   6.260
  159   2HG1  VAL  20          2HG1      VAL  20   4.763  -2.322   6.016
  160   3HG1  VAL  20          3HG1      VAL  20   3.598  -3.558   6.448
  161   1HG2  VAL  20          3HG2      VAL  20   3.445  -2.560   2.770
  162   2HG2  VAL  20          1HG2      VAL  20   2.353  -3.689   3.609
  163   3HG2  VAL  20          2HG2      VAL  20   2.797  -2.151   4.328
  164    H    SER  21           H        SER  21   7.168  -5.777   4.008
  165    HA   SER  21           HA       SER  21   8.772  -4.428   6.082
  166   1HB   SER  21           HB1      SER  21   7.994  -7.245   5.555
  167   2HB   SER  21           HB2      SER  21   9.612  -7.053   6.248
  168    HG   SER  21           HG       SER  21   7.908  -7.228   7.854
  169    H    LYS  22           H        LYS  22   8.907  -5.490   2.741
  170    HA   LYS  22           HA       LYS  22  11.821  -5.560   2.610
  171   1HB   LYS  22           HB1      LYS  22  10.432  -7.306   1.393
  172   2HB   LYS  22           HB2      LYS  22   9.818  -5.977   0.369
  173   1HG   LYS  22           HG1      LYS  22  12.014  -5.462  -0.432
  174   2HG   LYS  22           HG2      LYS  22  12.795  -6.664   0.619
  175   1HD   LYS  22           HD1      LYS  22  10.781  -7.351  -1.550
  176   2HD   LYS  22           HD2      LYS  22  12.521  -7.299  -1.815
  177   1HE   LYS  22           HE1      LYS  22  11.025  -9.212   0.088
  178   2HE   LYS  22           HE2      LYS  22  12.080  -9.629  -1.289
  179   1HZ   LYS  22           HZ1      LYS  22  13.914  -8.599  -0.116
  180   2HZ   LYS  22           HZ2      LYS  22  12.937  -8.426   1.262
  181   3HZ   LYS  22           HZ3      LYS  22  13.285  -9.975   0.652
  182    H    MET  23           H        MET  23   8.959  -3.917   1.182
  183    HA   MET  23           HA       MET  23   9.928  -1.640   0.149
  184   1HB   MET  23           HB1      MET  23   7.522  -2.580   1.611
  185   2HB   MET  23           HB2      MET  23   7.704  -0.782   1.530
  186   1HG   MET  23           HG1      MET  23   8.147  -1.528  -1.083
  187   2HG   MET  23           HG2      MET  23   6.936  -2.700  -0.530
  188   1HE   MET  23           HE2      MET  23   4.816  -2.491  -1.113
  189   2HE   MET  23           HE3      MET  23   4.517  -2.002   0.502
  190   3HE   MET  23           HE1      MET  23   3.754  -1.056  -0.851
  191    H    ARG  24           H        ARG  24   8.930  -2.076   3.591
  192    HA   ARG  24           HA       ARG  24   9.753   0.150   4.864
  193   1HB   ARG  24           HB1      ARG  24   9.553  -2.693   5.699
  194   2HB   ARG  24           HB2      ARG  24  10.754  -1.734   6.635
  195   1HG   ARG  24           HG1      ARG  24   9.264  -0.442   7.597
  196   2HG   ARG  24           HG2      ARG  24   8.087  -0.465   6.275
  197   1HD   ARG  24           HD1      ARG  24   7.368  -2.764   6.914
  198   2HD   ARG  24           HD2      ARG  24   8.655  -2.852   8.137
  199    HE   ARG  24           HE       ARG  24   6.224  -1.052   8.140
  200   1HH1  ARG  24          2HH1      ARG  24   8.947  -2.132   9.861
  201   2HH1  ARG  24          1HH1      ARG  24   8.036  -2.030  11.528
  202   1HH2  ARG  24          2HH2      ARG  24   5.429  -0.584  10.079
  203   2HH2  ARG  24          1HH2      ARG  24   6.424  -1.002  11.640
  204    H    ALA  25           H        ALA  25  11.915  -2.685   4.331
  205    HA   ALA  25           HA       ALA  25  14.409  -1.831   4.682
  206   1HB   ALA  25           HB1      ALA  25  13.444  -3.845   2.952
  207   2HB   ALA  25           HB2      ALA  25  14.413  -2.804   1.902
  208   3HB   ALA  25           HB3      ALA  25  15.129  -3.471   3.324
  209    H    GLN  26           H        GLN  26  13.066  -1.268   1.358
  210    HA   GLN  26           HA       GLN  26  14.454   0.710   0.271
  211   1HB   GLN  26           HB1      GLN  26  11.402   0.525   0.681
  212   2HB   GLN  26           HB2      GLN  26  12.145   1.698  -0.431
  213   1HG   GLN  26           HG1      GLN  26  11.260  -0.867  -0.997
  214   2HG   GLN  26           HG2      GLN  26  12.162   0.214  -2.085
  215   1HE2  GLN  26          1HE2      GLN  26  14.099  -3.085  -0.794
  216   2HE2  GLN  26          2HE2      GLN  26  12.513  -2.757  -0.052
  217    H    ALA  27           H        ALA  27  11.763   1.467   2.620
  218    HA   ALA  27           HA       ALA  27  11.899   4.246   2.066
  219   1HB   ALA  27           HB3      ALA  27  10.380   2.706   4.218
  220   2HB   ALA  27           HB1      ALA  27  10.081   4.392   3.698
  221   3HB   ALA  27           HB2      ALA  27   9.833   3.076   2.580
  222    H    GLU  28           H        GLU  28  13.342   2.237   4.628
  223    HA   GLU  28           HA       GLU  28  14.283   4.510   6.162
  224   1HB   GLU  28           HB1      GLU  28  13.392   2.984   7.628
  225   2HB   GLU  28           HB2      GLU  28  13.804   1.582   6.584
  226   1HG   GLU  28           HG1      GLU  28  15.938   1.426   7.411
  227   2HG   GLU  28           HG2      GLU  28  16.028   3.191   7.708
  228    H    LYS  29           H        LYS  29  15.287   1.717   4.123
  229    HA   LYS  29           HA       LYS  29  18.024   1.971   3.960
  230   1HB   LYS  29           HB1      LYS  29  16.968   0.262   2.755
  231   2HB   LYS  29           HB2      LYS  29  15.831   1.381   2.006
  232   1HG   LYS  29           HG1      LYS  29  17.178   2.098   0.390
  233   2HG   LYS  29           HG2      LYS  29  18.677   1.879   1.349
  234   1HD   LYS  29           HD1      LYS  29  18.863   0.281  -0.416
  235   2HD   LYS  29           HD2      LYS  29  18.233  -0.691   0.946
  236   1HE   LYS  29           HE1      LYS  29  16.148  -0.873  -0.107
  237   2HE   LYS  29           HE2      LYS  29  16.153   0.841  -0.550
  238   1HZ   LYS  29           HZ1      LYS  29  17.761   0.296  -2.294
  239   2HZ   LYS  29           HZ2      LYS  29  17.561  -1.342  -1.945
  240   3HZ   LYS  29           HZ3      LYS  29  16.226  -0.431  -2.526
  241    H    TYR  30           H        TYR  30  15.497   4.125   2.791
  242    HA   TYR  30           HA       TYR  30  17.322   5.769   1.210
  243   1HB   TYR  30           HB1      TYR  30  14.264   5.478   1.281
  244   2HB   TYR  30           HB2      TYR  30  15.115   6.568   0.212
  245    HD1  TYR  30           HD2      TYR  30  17.480   4.671  -0.351
  246    HD2  TYR  30           HD1      TYR  30  13.240   3.951  -0.110
  247    HE1  TYR  30           HE2      TYR  30  17.708   2.822  -2.051
  248    HE2  TYR  30           HE1      TYR  30  13.446   2.118  -1.784
  249    HH   TYR  30           HH       TYR  30  16.610   1.650  -3.515
  250    H    GLU  31           H        GLU  31  14.470   6.196   3.406
  251    HA   GLU  31           HA       GLU  31  14.447   8.108   4.996
  252   1HB   GLU  31           HB1      GLU  31  16.518   9.090   3.840
  253   2HB   GLU  31           HB2      GLU  31  15.389   9.718   2.621
  254   1HG   GLU  31           HG1      GLU  31  14.349  10.428   5.212
  255   2HG   GLU  31           HG2      GLU  31  16.085  10.816   5.200
  256    H    VAL  32           H        VAL  32  12.941   6.723   2.480
  257    HA   VAL  32           HA       VAL  32  10.685   8.445   2.190
  258    HB   VAL  32           HB       VAL  32  10.566   5.545   1.778
  259   1HG1  VAL  32          2HG1      VAL  32   8.590   6.900   1.451
  260   2HG1  VAL  32          3HG1      VAL  32   9.337   7.527  -0.016
  261   3HG1  VAL  32          1HG1      VAL  32   9.142   5.781   0.176
  262   1HG2  VAL  32          2HG2      VAL  32  12.596   7.372   0.579
  263   2HG2  VAL  32          3HG2      VAL  32  12.455   5.660   0.327
  264   3HG2  VAL  32          1HG2      VAL  32  11.470   6.848  -0.644
  265    HA   PRO  33           HA       PRO  33  10.523   6.761   6.501
  266   1HB   PRO  33           HB1      PRO  33  10.464   9.096   7.921
  267   2HB   PRO  33           HB2      PRO  33  11.893   8.380   7.157
  268   1HG   PRO  33           HG1      PRO  33  10.447  10.873   6.302
  269   2HG   PRO  33           HG2      PRO  33  12.044  10.301   5.836
  270   1HD   PRO  33           HD2      PRO  33   9.395   9.837   4.351
  271   2HD   PRO  33           HD1      PRO  33  11.040   9.610   3.754
  272    H    VAL  34           H        VAL  34   9.486   7.679   8.708
  273    HA   VAL  34           HA       VAL  34   7.607   7.437  10.001
  274    HB   VAL  34           HB       VAL  34   5.900   7.601   7.791
  275   1HG1  VAL  34          2HG1      VAL  34   5.426   6.517  10.379
  276   2HG1  VAL  34          3HG1      VAL  34   4.140   7.497   9.707
  277   3HG1  VAL  34          1HG1      VAL  34   4.703   6.072   8.817
  278   1HG2  VAL  34          2HG2      VAL  34   6.434   8.977  10.418
  279   2HG2  VAL  34          3HG2      VAL  34   6.782   9.725   8.856
  280   3HG2  VAL  34          1HG2      VAL  34   5.102   9.456   9.386
  281    H    ILE  35           H        ILE  35   6.044   5.606   7.565
  282    HA   ILE  35           HA       ILE  35   6.751   3.014   8.645
  283    HB   ILE  35           HB       ILE  35   4.097   4.220   8.757
  284   1HG1  ILE  35          1HG1      ILE  35   6.190   4.221  10.631
  285   2HG1  ILE  35          2HG1      ILE  35   4.500   4.593  10.987
  286   1HG2  ILE  35          1HG2      ILE  35   4.705   1.379   8.766
  287   2HG2  ILE  35          2HG2      ILE  35   3.357   1.977   9.770
  288   3HG2  ILE  35          3HG2      ILE  35   3.360   2.255   8.028
  289   1HD1  ILE  35           HD2      ILE  35   4.731   1.726  11.305
  290   2HD1  ILE  35           HD3      ILE  35   6.179   2.410  11.910
  291   3HD1  ILE  35           HD1      ILE  35   4.608   3.055  12.471
  292    H    ILE  36           H        ILE  36   6.386   1.271   7.058
  293    HA   ILE  36           HA       ILE  36   4.213   1.608   5.086
  294    HB   ILE  36           HB       ILE  36   6.176  -0.508   4.834
  295   1HG1  ILE  36          1HG1      ILE  36   6.421   2.125   3.389
  296   2HG1  ILE  36          2HG1      ILE  36   7.246   1.889   4.937
  297   1HG2  ILE  36          3HG2      ILE  36   3.959  -0.637   3.665
  298   2HG2  ILE  36          1HG2      ILE  36   4.536   0.787   2.791
  299   3HG2  ILE  36          2HG2      ILE  36   5.381  -0.769   2.668
  300   1HD1  ILE  36           HD1      ILE  36   8.165  -0.208   3.597
  301   2HD1  ILE  36           HD2      ILE  36   8.018   0.931   2.230
  302   3HD1  ILE  36           HD3      ILE  36   8.978   1.375   3.582
  303    H    GLU  37           H        GLU  37   2.386   0.332   5.510
  304    HA   GLU  37           HA       GLU  37   2.605  -1.926   7.251
  305   1HB   GLU  37           HB1      GLU  37   1.176   0.559   8.252
  306   2HB   GLU  37           HB2      GLU  37   0.579  -1.069   8.703
  307   1HG   GLU  37           HG1      GLU  37   3.485  -0.654   9.058
  308   2HG   GLU  37           HG2      GLU  37   2.414   0.314  10.088
  309    H    ALA  38           H        ALA  38   1.335  -3.533   6.559
  310    HA   ALA  38           HA       ALA  38  -0.720  -3.109   4.604
  311   1HB   ALA  38           HB3      ALA  38   1.166  -5.075   5.087
  312   2HB   ALA  38           HB1      ALA  38  -0.244  -5.830   5.810
  313   3HB   ALA  38           HB2      ALA  38  -0.310  -5.333   4.121
  314    H    PHE  39           H        PHE  39  -3.010  -3.593   5.033
  315    HA   PHE  39           HA       PHE  39  -3.815  -4.560   7.674
  316   1HB   PHE  39           HB1      PHE  39  -5.054  -2.097   6.453
  317   2HB   PHE  39           HB2      PHE  39  -5.382  -2.840   8.057
  318    HD1  PHE  39           HD1      PHE  39  -2.681  -1.048   6.054
  319    HD2  PHE  39           HD2      PHE  39  -4.321  -2.139   9.903
  320    HE1  PHE  39           HE1      PHE  39  -0.676  -0.079   7.246
  321    HE2  PHE  39           HE2      PHE  39  -2.771  -0.529  11.017
  322    HZ   PHE  39           HZ       PHE  39  -0.940   0.480   9.685
  323    HA   PRO  40           HA       PRO  40  -6.573  -6.827   5.163
  324   1HB   PRO  40           HB1      PRO  40  -8.702  -7.474   6.857
  325   2HB   PRO  40           HB2      PRO  40  -7.113  -8.262   6.771
  326   1HG   PRO  40           HG1      PRO  40  -8.191  -6.352   8.858
  327   2HG   PRO  40           HG2      PRO  40  -6.746  -7.375   9.000
  328   1HD   PRO  40           HD2      PRO  40  -6.923  -4.486   8.304
  329   2HD   PRO  40           HD1      PRO  40  -5.429  -5.443   8.548
  330    H    GLU  41           H        GLU  41  -6.891  -4.668   4.120
  331    HA   GLU  41           HA       GLU  41  -8.086  -2.712   3.646
  332   1HB   GLU  41           HB1      GLU  41  -9.257  -3.207   1.663
  333   2HB   GLU  41           HB2      GLU  41  -8.080  -4.536   1.870
  334   1HG   GLU  41           HG1      GLU  41  -9.809  -5.942   2.854
  335   2HG   GLU  41           HG2      GLU  41 -11.034  -4.670   2.640
  336    H    THR  42           H        THR  42  -9.203  -3.718   6.225
  337    HA   THR  42           HA       THR  42 -11.956  -2.651   6.128
  338    HB   THR  42           HB       THR  42 -12.504  -4.053   7.755
  339    HG1  THR  42           HG1      THR  42 -11.331  -4.010   9.842
  340   1HG2  THR  42          2HG2      THR  42 -10.428  -5.264   6.548
  341   2HG2  THR  42          3HG2      THR  42  -9.838  -5.177   8.188
  342   3HG2  THR  42          1HG2      THR  42 -11.419  -5.957   7.841
  343    H    LEU  43           H        LEU  43  -8.631  -2.172   7.176
  344    HA   LEU  43           HA       LEU  43  -9.202   0.226   8.695
  345   1HB   LEU  43           HB1      LEU  43  -6.897  -1.760   8.334
  346   2HB   LEU  43           HB2      LEU  43  -6.615  -0.244   9.229
  347    HG   LEU  43           HG       LEU  43  -8.713  -2.127  10.079
  348   1HD1  LEU  43          2HD1      LEU  43  -6.094  -3.107   9.913
  349   2HD1  LEU  43          3HD1      LEU  43  -6.527  -2.845  11.576
  350   3HD1  LEU  43          1HD1      LEU  43  -7.611  -3.795  10.459
  351   1HD2  LEU  43          3HD2      LEU  43  -8.398   0.225  11.074
  352   2HD2  LEU  43          1HD2      LEU  43  -8.347  -1.124  12.248
  353   3HD2  LEU  43          2HD2      LEU  43  -6.848  -0.357  11.692
  354    H    ALA  44           H        ALA  44  -8.708  -0.637   5.520
  355    HA   ALA  44           HA       ALA  44  -7.234   1.438   4.439
  356   1HB   ALA  44           HB2      ALA  44  -9.420  -0.324   3.560
  357   2HB   ALA  44           HB3      ALA  44  -9.524   1.263   2.812
  358   3HB   ALA  44           HB1      ALA  44  -8.060   0.260   2.649
  359    H    GLY  45           H        GLY  45 -10.666   1.436   5.553
  360   1HA   GLY  45           HA1      GLY  45 -11.348   4.066   5.299
  361   2HA   GLY  45           HA2      GLY  45 -11.819   2.951   6.662
  362    H    GLU  46           H        GLU  46  -9.516   2.711   8.135
  363    HA   GLU  46           HA       GLU  46  -9.451   5.406   9.328
  364   1HB   GLU  46           HB1      GLU  46  -8.615   2.774  10.659
  365   2HB   GLU  46           HB2      GLU  46  -8.914   4.342  11.429
  366   1HG   GLU  46           HG1      GLU  46 -11.302   4.219  10.590
  367   2HG   GLU  46           HG2      GLU  46 -10.979   2.538  10.094
  368    H    LYS  47           H        LYS  47  -7.192   2.595   8.640
  369    HA   LYS  47           HA       LYS  47  -4.845   3.991   9.153
  370   1HB   LYS  47           HB1      LYS  47  -5.656   1.427   7.881
  371   2HB   LYS  47           HB2      LYS  47  -4.030   2.024   7.505
  372   1HG   LYS  47           HG1      LYS  47  -4.682   0.507   9.710
  373   2HG   LYS  47           HG2      LYS  47  -3.227   1.548   9.611
  374   1HD   LYS  47           HD1      LYS  47  -4.140   3.221  10.899
  375   2HD   LYS  47           HD2      LYS  47  -5.826   2.707  10.657
  376   1HE   LYS  47           HE1      LYS  47  -5.738   1.261  12.483
  377   2HE   LYS  47           HE2      LYS  47  -4.222   0.546  11.877
  378   1HZ   LYS  47           HZ1      LYS  47  -3.077   2.527  12.737
  379   2HZ   LYS  47           HZ2      LYS  47  -4.532   3.020  13.438
  380   3HZ   LYS  47           HZ3      LYS  47  -3.805   1.579  13.968
  381    H    GLY  48           H        GLY  48  -6.273   2.977   5.984
  382   1HA   GLY  48           HA1      GLY  48  -4.800   4.412   4.166
  383   2HA   GLY  48           HA2      GLY  48  -6.522   3.981   4.024
  384    H    GLN  49           H        GLN  49  -7.724   5.660   5.985
  385    HA   GLN  49           HA       GLN  49  -7.637   8.295   4.978
  386   1HB   GLN  49           HB1      GLN  49  -9.605   7.540   6.197
  387   2HB   GLN  49           HB2      GLN  49  -8.636   7.057   7.607
  388   1HG   GLN  49           HG1      GLN  49  -8.078   9.780   7.334
  389   2HG   GLN  49           HG2      GLN  49  -9.809   9.602   6.929
  390   1HE2  GLN  49          1HE2      GLN  49  -8.569   8.493  10.694
  391   2HE2  GLN  49          2HE2      GLN  49  -7.572   7.960   9.301
  392    H    ASN  50           H        ASN  50  -5.656   6.556   7.370
  393    HA   ASN  50           HA       ASN  50  -4.685   9.017   8.610
  394   1HB   ASN  50           HB1      ASN  50  -5.278   6.296   9.597
  395   2HB   ASN  50           HB2      ASN  50  -3.683   6.856  10.100
  396   1HD2  ASN  50          1HD2      ASN  50  -5.346   9.728  11.879
  397   2HD2  ASN  50          2HD2      ASN  50  -3.999   9.540  10.732
  398    H    ALA  51           H        ALA  51  -3.950   7.406   5.973
  399    HA   ALA  51           HA       ALA  51  -1.101   7.025   6.385
  400   1HB   ALA  51           HB3      ALA  51  -3.157   5.961   4.557
  401   2HB   ALA  51           HB1      ALA  51  -1.728   6.509   3.673
  402   3HB   ALA  51           HB2      ALA  51  -1.572   5.266   4.915
  403    H    ASP  52           H        ASP  52   0.404   8.064   4.798
  404    HA   ASP  52           HA       ASP  52  -0.184  10.596   3.621
  405   1HB   ASP  52           HB1      ASP  52   2.090   9.204   4.252
  406   2HB   ASP  52           HB2      ASP  52   1.986   8.819   2.503
  407    H    VAL  53           H        VAL  53   0.332   7.236   2.478
  408    HA   VAL  53           HA       VAL  53  -1.383   7.485   0.116
  409    HB   VAL  53           HB       VAL  53   1.614   6.931   0.127
  410   1HG1  VAL  53          3HG1      VAL  53   0.883   5.301  -1.368
  411   2HG1  VAL  53          1HG1      VAL  53  -0.006   6.514  -2.311
  412   3HG1  VAL  53          2HG1      VAL  53   1.770   6.610  -2.145
  413   1HG2  VAL  53          1HG2      VAL  53   0.763   9.361   0.096
  414   2HG2  VAL  53          2HG2      VAL  53   1.961   8.912  -1.090
  415   3HG2  VAL  53          3HG2      VAL  53   0.302   9.119  -1.595
  416    H    VAL  54           H        VAL  54  -1.753   5.319  -0.827
  417    HA   VAL  54           HA       VAL  54  -1.762   3.265   1.272
  418    HB   VAL  54           HB       VAL  54  -3.798   3.901   1.824
  419   1HG1  VAL  54          1HG1      VAL  54  -3.221   5.949   0.881
  420   2HG1  VAL  54          2HG1      VAL  54  -4.412   5.683  -0.381
  421   3HG1  VAL  54          3HG1      VAL  54  -4.904   5.664   1.288
  422   1HG2  VAL  54          3HG2      VAL  54  -4.548   2.588  -0.790
  423   2HG2  VAL  54          1HG2      VAL  54  -4.298   1.897   0.797
  424   3HG2  VAL  54          2HG2      VAL  54  -5.666   2.933   0.565
  425    H    LEU  55           H        LEU  55  -2.508   1.113   0.420
  426    HA   LEU  55           HA       LEU  55  -2.342   0.712  -2.466
  427   1HB   LEU  55           HB1      LEU  55  -0.486  -0.397  -0.272
  428   2HB   LEU  55           HB2      LEU  55  -0.597  -1.225  -1.877
  429    HG   LEU  55           HG       LEU  55   0.040   1.610  -1.889
  430   1HD1  LEU  55          3HD1      LEU  55   1.145   1.142   0.157
  431   2HD1  LEU  55          1HD1      LEU  55   2.270   0.105  -0.764
  432   3HD1  LEU  55          2HD1      LEU  55   2.154   1.818  -1.075
  433   1HD2  LEU  55          2HD2      LEU  55   0.499  -0.791  -3.491
  434   2HD2  LEU  55          3HD2      LEU  55   0.722   0.900  -3.960
  435   3HD2  LEU  55          1HD2      LEU  55   2.050   0.049  -3.215
  436    H    LEU  56           H        LEU  56  -3.734  -1.052  -3.039
  437    HA   LEU  56           HA       LEU  56  -5.005  -2.614  -0.872
  438   1HB   LEU  56           HB1      LEU  56  -6.186  -0.716  -2.798
  439   2HB   LEU  56           HB2      LEU  56  -6.766  -2.377  -3.173
  440    HG   LEU  56           HG       LEU  56  -8.365  -1.464  -1.879
  441   1HD1  LEU  56          2HD1      LEU  56  -6.794  -3.443  -0.402
  442   2HD1  LEU  56          3HD1      LEU  56  -7.755  -2.387   0.585
  443   3HD1  LEU  56          1HD1      LEU  56  -8.523  -3.286  -0.739
  444   1HD2  LEU  56          3HD2      LEU  56  -6.132  -0.011  -0.416
  445   2HD2  LEU  56          1HD2      LEU  56  -7.631   0.599  -1.122
  446   3HD2  LEU  56          2HD2      LEU  56  -7.639  -0.298   0.412
  447    H    GLY  57           H        GLY  57  -4.691  -4.857  -1.276
  448   1HA   GLY  57           HA1      GLY  57  -3.060  -5.948  -3.056
  449   2HA   GLY  57           HA2      GLY  57  -4.390  -6.853  -2.266
  450    HA   PRO  58           HA       PRO  58  -5.414  -6.731  -6.793
  451   1HB   PRO  58           HB1      PRO  58  -3.797  -8.318  -8.109
  452   2HB   PRO  58           HB2      PRO  58  -3.314  -6.690  -7.644
  453   1HG   PRO  58           HG1      PRO  58  -2.582  -9.374  -6.252
  454   2HG   PRO  58           HG2      PRO  58  -1.554  -7.964  -6.580
  455   1HD   PRO  58           HD2      PRO  58  -2.926  -8.361  -4.103
  456   2HD   PRO  58           HD1      PRO  58  -2.263  -6.806  -4.695
  457    H    GLN  59           H        GLN  59  -5.627  -8.964  -4.409
  458    HA   GLN  59           HA       GLN  59  -7.419 -10.680  -5.995
  459   1HB   GLN  59           HB1      GLN  59  -6.636 -11.094  -3.118
  460   2HB   GLN  59           HB2      GLN  59  -6.954 -12.354  -4.348
  461   1HG   GLN  59           HG1      GLN  59  -4.773 -11.522  -5.429
  462   2HG   GLN  59           HG2      GLN  59  -4.468 -10.744  -3.873
  463   1HE2  GLN  59          1HE2      GLN  59  -3.349 -13.668  -2.333
  464   2HE2  GLN  59          2HE2      GLN  59  -3.991 -12.079  -2.006
  465    H    ILE  60           H        ILE  60  -7.198  -8.034  -3.848
  466    HA   ILE  60           HA       ILE  60  -9.732  -8.403  -2.427
  467    HB   ILE  60           HB       ILE  60  -9.096  -6.678  -0.902
  468   1HG1  ILE  60          1HG1      ILE  60  -6.788  -5.774  -0.912
  469   2HG1  ILE  60          2HG1      ILE  60  -6.437  -6.548  -2.448
  470   1HG2  ILE  60          2HG2      ILE  60  -7.572  -9.176  -1.073
  471   2HG2  ILE  60          3HG2      ILE  60  -6.951  -7.948   0.048
  472   3HG2  ILE  60          1HG2      ILE  60  -8.623  -8.449   0.145
  473   1HD1  ILE  60           HD3      ILE  60  -8.729  -4.657  -2.362
  474   2HD1  ILE  60           HD1      ILE  60  -7.036  -4.084  -2.284
  475   3HD1  ILE  60           HD2      ILE  60  -7.695  -4.941  -3.701
  476    H    ALA  61           H        ALA  61  -8.778  -7.340  -5.318
  477    HA   ALA  61           HA       ALA  61  -8.922  -4.730  -5.804
  478   1HB   ALA  61           HB3      ALA  61  -9.785  -7.115  -7.434
  479   2HB   ALA  61           HB1      ALA  61 -10.060  -5.495  -8.094
  480   3HB   ALA  61           HB2      ALA  61  -8.441  -6.020  -7.693
  481    H    TYR  62           H        TYR  62 -11.764  -6.818  -5.201
  482    HA   TYR  62           HA       TYR  62 -13.704  -5.629  -6.672
  483   1HB   TYR  62           HB1      TYR  62 -15.284  -6.835  -5.289
  484   2HB   TYR  62           HB2      TYR  62 -13.818  -7.832  -5.579
  485    HD1  TYR  62           HD1      TYR  62 -12.038  -7.850  -3.673
  486    HD2  TYR  62           HD2      TYR  62 -16.071  -6.388  -3.197
  487    HE1  TYR  62           HE1      TYR  62 -11.773  -7.690  -1.143
  488    HE2  TYR  62           HE2      TYR  62 -16.100  -7.320  -0.842
  489    HH   TYR  62           HH       TYR  62 -14.774  -7.726   0.877
  490    H    MET  63           H        MET  63 -12.325  -4.766  -3.595
  491    HA   MET  63           HA       MET  63 -14.495  -3.182  -2.471
  492   1HB   MET  63           HB1      MET  63 -11.649  -3.868  -1.605
  493   2HB   MET  63           HB2      MET  63 -12.769  -2.864  -0.667
  494   1HG   MET  63           HG1      MET  63 -13.665  -5.524  -1.708
  495   2HG   MET  63           HG2      MET  63 -12.596  -5.447  -0.268
  496   1HE   MET  63           HE1      MET  63 -12.911  -4.705   1.638
  497   2HE   MET  63           HE2      MET  63 -13.959  -3.309   2.044
  498   3HE   MET  63           HE3      MET  63 -14.373  -4.936   2.592
  499    H    LEU  64           H        LEU  64 -11.812  -2.558  -4.624
  500    HA   LEU  64           HA       LEU  64 -10.624  -0.240  -4.012
  501   1HB   LEU  64           HB1      LEU  64 -11.097  -1.958  -6.285
  502   2HB   LEU  64           HB2      LEU  64 -11.488  -0.292  -6.862
  503    HG   LEU  64           HG       LEU  64  -8.830  -1.479  -6.202
  504   1HD1  LEU  64          2HD1      LEU  64 -10.089  -1.023  -8.596
  505   2HD1  LEU  64          3HD1      LEU  64  -8.989   0.339  -8.325
  506   3HD1  LEU  64          1HD1      LEU  64  -8.387  -1.332  -8.199
  507   1HD2  LEU  64          3HD2      LEU  64  -9.593   1.476  -5.956
  508   2HD2  LEU  64          1HD2      LEU  64  -8.793   0.474  -4.774
  509   3HD2  LEU  64          2HD2      LEU  64  -7.959   0.914  -6.310
  510    HA   PRO  65           HA       PRO  65 -14.244   2.273  -5.888
  511   1HB   PRO  65           HB1      PRO  65 -16.750   0.833  -6.128
  512   2HB   PRO  65           HB2      PRO  65 -15.756   1.501  -7.446
  513   1HG   PRO  65           HG1      PRO  65 -16.071  -1.331  -6.644
  514   2HG   PRO  65           HG2      PRO  65 -14.994  -0.709  -7.933
  515   1HD   PRO  65           HD2      PRO  65 -14.363  -1.560  -5.096
  516   2HD   PRO  65           HD1      PRO  65 -13.235  -1.367  -6.476
  517    H    GLU  66           H        GLU  66 -15.358  -0.062  -3.519
  518    HA   GLU  66           HA       GLU  66 -16.945   1.604  -1.917
  519   1HB   GLU  66           HB1      GLU  66 -16.765  -0.933  -1.879
  520   2HB   GLU  66           HB2      GLU  66 -15.203  -0.706  -1.053
  521   1HG   GLU  66           HG1      GLU  66 -16.902   0.892   0.441
  522   2HG   GLU  66           HG2      GLU  66 -17.980  -0.438   0.029
  523    H    ILE  67           H        ILE  67 -13.543   0.561  -1.912
  524    HA   ILE  67           HA       ILE  67 -12.396   1.715   0.290
  525    HB   ILE  67           HB       ILE  67 -11.238   1.038  -2.351
  526   1HG1  ILE  67          1HG1      ILE  67 -12.433  -0.644  -0.698
  527   2HG1  ILE  67          2HG1      ILE  67 -10.878  -1.104  -1.448
  528   1HG2  ILE  67          2HG2      ILE  67  -9.921   2.786  -0.823
  529   2HG2  ILE  67          3HG2      ILE  67  -9.323   1.348  -0.095
  530   3HG2  ILE  67          1HG2      ILE  67  -9.182   1.491  -1.839
  531   1HD1  ILE  67           HD3      ILE  67  -9.754  -0.358   0.751
  532   2HD1  ILE  67           HD1      ILE  67 -11.416  -0.176   1.357
  533   3HD1  ILE  67           HD2      ILE  67 -10.785  -1.742   0.941
  534    H    GLN  68           H        GLN  68 -12.785   3.029  -3.057
  535    HA   GLN  68           HA       GLN  68 -11.215   5.375  -2.512
  536   1HB   GLN  68           HB1      GLN  68 -12.809   4.234  -4.911
  537   2HB   GLN  68           HB2      GLN  68 -12.061   5.833  -5.002
  538   1HG   GLN  68           HG1      GLN  68 -10.777   3.102  -4.886
  539   2HG   GLN  68           HG2      GLN  68 -10.495   4.436  -6.010
  540   1HE2  GLN  68          1HE2      GLN  68  -8.297   6.127  -3.595
  541   2HE2  GLN  68          2HE2      GLN  68  -9.899   6.594  -4.180
  542    H    ARG  69           H        ARG  69 -14.533   4.329  -2.330
  543    HA   ARG  69           HA       ARG  69 -15.682   7.005  -2.495
  544   1HB   ARG  69           HB1      ARG  69 -17.758   6.038  -2.717
  545   2HB   ARG  69           HB2      ARG  69 -16.739   4.786  -3.443
  546   1HG   ARG  69           HG1      ARG  69 -17.741   3.320  -2.134
  547   2HG   ARG  69           HG2      ARG  69 -16.847   4.005  -0.733
  548   1HD   ARG  69           HD1      ARG  69 -18.765   4.727   0.158
  549   2HD   ARG  69           HD2      ARG  69 -19.158   5.671  -1.300
  550    HE   ARG  69           HE       ARG  69 -19.678   2.707  -1.153
  551   1HH1  ARG  69          2HH1      ARG  69 -21.066   5.784  -1.193
  552   2HH1  ARG  69          1HH1      ARG  69 -22.540   5.177  -2.233
  553   1HH2  ARG  69          2HH2      ARG  69 -21.542   2.038  -1.877
  554   2HH2  ARG  69          1HH2      ARG  69 -22.765   3.311  -2.587
  555    H    LEU  70           H        LEU  70 -14.073   5.105  -0.203
  556    HA   LEU  70           HA       LEU  70 -15.156   6.646   2.040
  557   1HB   LEU  70           HB1      LEU  70 -13.453   4.193   1.525
  558   2HB   LEU  70           HB2      LEU  70 -12.896   5.194   2.905
  559    HG   LEU  70           HG       LEU  70 -14.581   4.596   4.239
  560   1HD1  LEU  70          2HD1      LEU  70 -16.513   4.613   2.038
  561   2HD1  LEU  70          3HD1      LEU  70 -16.751   3.479   3.343
  562   3HD1  LEU  70          1HD1      LEU  70 -16.470   5.201   3.717
  563   1HD2  LEU  70          3HD2      LEU  70 -13.207   2.546   3.430
  564   2HD2  LEU  70          1HD2      LEU  70 -14.735   2.276   4.294
  565   3HD2  LEU  70          2HD2      LEU  70 -14.680   2.116   2.511
  566    H    LEU  71           H        LEU  71 -11.730   5.807   1.092
  567    HA   LEU  71           HA       LEU  71 -10.817   8.529   1.212
  568   1HB   LEU  71           HB1      LEU  71  -9.635   5.810   0.301
  569   2HB   LEU  71           HB2      LEU  71  -8.635   7.255   0.610
  570    HG   LEU  71           HG       LEU  71  -8.754   6.975   2.908
  571   1HD1  LEU  71          1HD1      LEU  71 -11.182   6.832   3.112
  572   2HD1  LEU  71          2HD1      LEU  71 -11.022   5.081   3.093
  573   3HD1  LEU  71          3HD1      LEU  71 -10.102   6.015   4.260
  574   1HD2  LEU  71          2HD2      LEU  71  -8.181   4.620   1.322
  575   2HD2  LEU  71          3HD2      LEU  71  -7.374   5.154   2.793
  576   3HD2  LEU  71          1HD2      LEU  71  -8.843   4.190   2.901
  577    HA   PRO  72           HA       PRO  72 -11.428   8.770  -3.311
  578   1HB   PRO  72           HB1      PRO  72 -13.046  10.903  -3.532
  579   2HB   PRO  72           HB2      PRO  72 -13.694   9.306  -3.048
  580   1HG   PRO  72           HG1      PRO  72 -12.838  11.647  -1.250
  581   2HG   PRO  72           HG2      PRO  72 -14.369  10.773  -1.231
  582   1HD   PRO  72           HD2      PRO  72 -12.272   9.965   0.449
  583   2HD   PRO  72           HD1      PRO  72 -13.459   8.840  -0.248
  584    H    ASN  73           H        ASN  73 -10.198  10.760  -0.904
  585    HA   ASN  73           HA       ASN  73  -8.613  12.378  -2.803
  586   1HB   ASN  73           HB1      ASN  73  -8.637  14.156  -0.882
  587   2HB   ASN  73           HB2      ASN  73 -10.123  13.993  -1.881
  588   1HD2  ASN  73          1HD2      ASN  73 -12.159  12.662   0.594
  589   2HD2  ASN  73          2HD2      ASN  73 -12.092  13.557  -0.909
  590    H    LYS  74           H        LYS  74  -8.145   9.731  -1.264
  591    HA   LYS  74           HA       LYS  74  -5.588  10.552  -0.101
  592   1HB   LYS  74           HB1      LYS  74  -7.653   9.061   1.083
  593   2HB   LYS  74           HB2      LYS  74  -6.359   7.910   0.728
  594   1HG   LYS  74           HG1      LYS  74  -5.769   8.711   2.871
  595   2HG   LYS  74           HG2      LYS  74  -4.740   9.654   1.758
  596   1HD   LYS  74           HD1      LYS  74  -5.781  11.652   2.137
  597   2HD   LYS  74           HD2      LYS  74  -7.333  10.908   2.603
  598   1HE   LYS  74           HE1      LYS  74  -6.518  11.365   4.788
  599   2HE   LYS  74           HE2      LYS  74  -5.626   9.839   4.543
  600   1HZ   LYS  74           HZ1      LYS  74  -3.828  11.217   3.562
  601   2HZ   LYS  74           HZ2      LYS  74  -4.671  12.598   4.035
  602   3HZ   LYS  74           HZ3      LYS  74  -4.093  11.535   5.205
  603    HA   PRO  75           HA       PRO  75  -3.819   8.423  -3.457
  604   1HB   PRO  75           HB1      PRO  75  -1.305   7.861  -2.124
  605   2HB   PRO  75           HB2      PRO  75  -1.681   9.057  -3.381
  606   1HG   PRO  75           HG1      PRO  75  -1.334   9.520  -0.445
  607   2HG   PRO  75           HG2      PRO  75  -1.520  10.719  -1.711
  608   1HD   PRO  75           HD2      PRO  75  -3.537   9.869   0.231
  609   2HD   PRO  75           HD1      PRO  75  -3.877  10.964  -1.150
  610    H    VAL  76           H        VAL  76  -5.469   6.783  -2.626
  611    HA   VAL  76           HA       VAL  76  -4.468   4.301  -1.658
  612    HB   VAL  76           HB       VAL  76  -7.280   4.940  -2.547
  613   1HG1  VAL  76          1HG1      VAL  76  -6.287   2.563  -1.646
  614   2HG1  VAL  76          2HG1      VAL  76  -7.289   3.223  -0.293
  615   3HG1  VAL  76          3HG1      VAL  76  -7.988   2.964  -1.836
  616   1HG2  VAL  76          1HG2      VAL  76  -6.131   6.512  -0.750
  617   2HG2  VAL  76          2HG2      VAL  76  -7.787   5.955  -0.457
  618   3HG2  VAL  76          3HG2      VAL  76  -6.477   5.136   0.340
  619    H    GLU  77           H        GLU  77  -3.930   2.527  -3.008
  620    HA   GLU  77           HA       GLU  77  -4.775   2.365  -5.824
  621   1HB   GLU  77           HB1      GLU  77  -2.117   3.337  -4.953
  622   2HB   GLU  77           HB2      GLU  77  -2.115   2.114  -6.237
  623   1HG   GLU  77           HG1      GLU  77  -3.837   4.628  -6.311
  624   2HG   GLU  77           HG2      GLU  77  -2.183   4.590  -6.988
  625    H    VAL  78           H        VAL  78  -4.515   0.357  -6.733
  626    HA   VAL  78           HA       VAL  78  -4.297  -1.883  -4.946
  627    HB   VAL  78           HB       VAL  78  -6.038  -1.409  -6.752
  628   1HG1  VAL  78          3HG1      VAL  78  -3.755  -1.517  -8.518
  629   2HG1  VAL  78          1HG1      VAL  78  -4.936  -2.771  -8.831
  630   3HG1  VAL  78          2HG1      VAL  78  -5.395  -1.032  -8.770
  631   1HG2  VAL  78          2HG2      VAL  78  -5.256  -3.882  -5.644
  632   2HG2  VAL  78          3HG2      VAL  78  -6.645  -3.603  -6.706
  633   3HG2  VAL  78          1HG2      VAL  78  -5.119  -4.111  -7.403
  634    H    ILE  79           H        ILE  79  -2.840  -3.802  -5.547
  635    HA   ILE  79           HA       ILE  79  -0.184  -2.846  -6.204
  636    HB   ILE  79           HB       ILE  79  -1.128  -4.993  -4.484
  637   1HG1  ILE  79          1HG1      ILE  79   1.440  -3.650  -4.060
  638   2HG1  ILE  79          2HG1      ILE  79   0.045  -2.516  -4.258
  639   1HG2  ILE  79          1HG2      ILE  79   0.321  -6.146  -6.233
  640   2HG2  ILE  79          2HG2      ILE  79   1.660  -5.275  -5.329
  641   3HG2  ILE  79          3HG2      ILE  79   0.679  -6.415  -4.534
  642   1HD1  ILE  79           HD3      ILE  79   0.068  -4.709  -2.238
  643   2HD1  ILE  79           HD1      ILE  79   0.738  -3.071  -2.039
  644   3HD1  ILE  79           HD2      ILE  79  -0.996  -3.350  -2.238
  645    H    ASP  80           H        ASP  80   1.205  -4.570  -7.404
  646    HA   ASP  80           HA       ASP  80  -0.071  -5.941  -9.617
  647   1HB   ASP  80           HB1      ASP  80   2.668  -4.740  -9.132
  648   2HB   ASP  80           HB2      ASP  80   2.717  -6.397  -9.788
  649    H    SER  81           H        SER  81   0.172  -8.199  -9.820
  650    HA   SER  81           HA       SER  81  -0.295  -9.340  -7.239
  651   1HB   SER  81           HB1      SER  81  -1.937  -9.579  -8.957
  652   2HB   SER  81           HB2      SER  81  -0.722  -9.956 -10.208
  653    HG   SER  81           HG       SER  81  -2.041 -11.818  -9.504
  654    H    LEU  82           H        LEU  82   2.128  -9.474  -9.849
  655    HA   LEU  82           HA       LEU  82   3.419 -11.929  -8.998
  656   1HB   LEU  82           HB1      LEU  82   3.421 -11.676 -11.357
  657   2HB   LEU  82           HB2      LEU  82   3.287  -9.922 -11.282
  658    HG   LEU  82           HG       LEU  82   5.283  -9.726 -12.056
  659   1HD1  LEU  82          3HD1      LEU  82   6.167  -9.367  -9.936
  660   2HD1  LEU  82          1HD1      LEU  82   6.580 -11.116  -9.804
  661   3HD1  LEU  82          2HD1      LEU  82   7.348 -10.054 -10.981
  662   1HD2  LEU  82          3HD2      LEU  82   5.085 -12.732 -11.850
  663   2HD2  LEU  82          1HD2      LEU  82   5.160 -11.716 -13.300
  664   3HD2  LEU  82          2HD2      LEU  82   6.635 -12.039 -12.327
  665    H    LEU  83           H        LEU  83   4.075  -8.312  -9.132
  666    HA   LEU  83           HA       LEU  83   6.547  -8.357  -7.827
  667   1HB   LEU  83           HB1      LEU  83   4.149  -6.367  -8.163
  668   2HB   LEU  83           HB2      LEU  83   5.677  -5.791  -7.463
  669    HG   LEU  83           HG       LEU  83   4.790  -5.903 -10.177
  670   1HD1  LEU  83          1HD1      LEU  83   6.633  -4.377  -8.654
  671   2HD1  LEU  83          2HD1      LEU  83   6.865  -4.344 -10.398
  672   3HD1  LEU  83          3HD1      LEU  83   5.289  -3.945  -9.732
  673   1HD2  LEU  83          1HD2      LEU  83   6.985  -7.725  -9.577
  674   2HD2  LEU  83          2HD2      LEU  83   6.180  -7.449 -11.142
  675   3HD2  LEU  83          3HD2      LEU  83   7.554  -6.427 -10.637
  676    H    TYR  84           H        TYR  84   3.195  -8.707  -6.977
  677    HA   TYR  84           HA       TYR  84   2.794  -7.675  -4.401
  678   1HB   TYR  84           HB1      TYR  84   1.077  -8.364  -5.968
  679   2HB   TYR  84           HB2      TYR  84   1.629 -10.070  -5.802
  680    HD1  TYR  84           HD1      TYR  84   1.390  -7.575  -3.047
  681    HD2  TYR  84           HD2      TYR  84  -0.434 -10.993  -4.992
  682    HE1  TYR  84           HE1      TYR  84  -0.006  -8.025  -0.996
  683    HE2  TYR  84           HE2      TYR  84  -2.220 -11.029  -3.229
  684    HH   TYR  84           HH       TYR  84  -2.900 -10.209  -1.292
  685    H    GLY  85           H        GLY  85   3.235 -11.144  -5.272
  686   1HA   GLY  85           HA1      GLY  85   3.589 -11.711  -2.363
  687   2HA   GLY  85           HA2      GLY  85   3.148 -12.842  -3.657
  688    H    LYS  86           H        LYS  86   5.684 -11.473  -5.229
  689    HA   LYS  86           HA       LYS  86   7.812 -12.641  -3.685
  690   1HB   LYS  86           HB1      LYS  86   7.824 -11.163  -6.310
  691   2HB   LYS  86           HB2      LYS  86   9.219 -11.955  -5.586
  692   1HG   LYS  86           HG1      LYS  86   8.315 -13.738  -6.893
  693   2HG   LYS  86           HG2      LYS  86   7.547 -14.000  -5.325
  694   1HD   LYS  86           HD1      LYS  86   5.494 -13.693  -6.161
  695   2HD   LYS  86           HD2      LYS  86   5.980 -12.217  -7.052
  696   1HE   LYS  86           HE1      LYS  86   5.191 -14.027  -8.616
  697   2HE   LYS  86           HE2      LYS  86   6.910 -13.649  -8.903
  698   1HZ   LYS  86           HZ1      LYS  86   7.444 -15.493  -7.405
  699   2HZ   LYS  86           HZ2      LYS  86   5.784 -15.899  -7.334
  700   3HZ   LYS  86           HZ3      LYS  86   6.630 -15.967  -8.819
  701    H    VAL  87           H        VAL  87   5.952  -9.870  -3.538
  702    HA   VAL  87           HA       VAL  87   5.929  -8.333  -1.931
  703    HB   VAL  87           HB       VAL  87   7.649  -9.022   0.054
  704   1HG1  VAL  87          3HG1      VAL  87   4.865  -9.353  -0.364
  705   2HG1  VAL  87          1HG1      VAL  87   5.568 -10.843   0.229
  706   3HG1  VAL  87          2HG1      VAL  87   5.786  -9.344   1.109
  707   1HG2  VAL  87          2HG2      VAL  87   8.626 -10.987  -1.345
  708   2HG2  VAL  87          3HG2      VAL  87   7.966 -11.354   0.232
  709   3HG2  VAL  87          1HG2      VAL  87   7.041 -11.737  -1.189
  710    H    ASP  88           H        ASP  88   7.309  -7.521  -4.091
  711    HA   ASP  88           HA       ASP  88  10.162  -7.335  -3.976
  712   1HB   ASP  88           HB1      ASP  88   8.134  -7.157  -6.037
  713   2HB   ASP  88           HB2      ASP  88   9.273  -5.774  -6.167
  714    H    GLY  89           H        GLY  89   9.577  -5.831  -1.819
  715   1HA   GLY  89           HA1      GLY  89   9.016  -3.554  -1.251
  716   2HA   GLY  89           HA2      GLY  89  10.741  -3.906  -1.094
  717    H    LEU  90           H        LEU  90  11.447  -3.735  -3.952
  718    HA   LEU  90           HA       LEU  90  11.927  -0.876  -4.036
  719   1HB   LEU  90           HB1      LEU  90  12.638  -3.366  -5.757
  720   2HB   LEU  90           HB2      LEU  90  13.211  -1.731  -6.195
  721    HG   LEU  90           HG       LEU  90  14.103  -2.129  -3.584
  722   1HD1  LEU  90          2HD1      LEU  90  13.773  -4.781  -4.556
  723   2HD1  LEU  90          3HD1      LEU  90  15.449  -4.361  -4.334
  724   3HD1  LEU  90          1HD1      LEU  90  14.251  -4.086  -3.014
  725   1HD2  LEU  90          2HD2      LEU  90  15.313  -2.081  -6.386
  726   2HD2  LEU  90          3HD2      LEU  90  15.510  -0.902  -5.100
  727   3HD2  LEU  90          1HD2      LEU  90  16.338  -2.442  -4.961
  728    H    GLY  91           H        GLY  91  10.433  -3.315  -6.374
  729   1HA   GLY  91           HA1      GLY  91   9.386  -1.620  -8.191
  730   2HA   GLY  91           HA2      GLY  91   8.658  -3.170  -7.670
  731    H    VAL  92           H        VAL  92   8.197  -2.368  -4.907
  732    HA   VAL  92           HA       VAL  92   5.498  -1.446  -5.407
  733    HB   VAL  92           HB       VAL  92   5.674  -1.651  -2.741
  734   1HG1  VAL  92          1HG1      VAL  92   4.096  -2.620  -4.588
  735   2HG1  VAL  92          2HG1      VAL  92   4.795  -4.137  -4.048
  736   3HG1  VAL  92          3HG1      VAL  92   3.999  -3.078  -2.875
  737   1HG2  VAL  92          1HG2      VAL  92   7.867  -2.612  -2.729
  738   2HG2  VAL  92          2HG2      VAL  92   6.755  -3.855  -2.218
  739   3HG2  VAL  92          3HG2      VAL  92   7.414  -3.958  -3.831
  740    H    LEU  93           H        LEU  93   8.087  -0.480  -3.085
  741    HA   LEU  93           HA       LEU  93   7.751   2.040  -2.415
  742   1HB   LEU  93           HB1      LEU  93   9.897   0.619  -2.209
  743   2HB   LEU  93           HB2      LEU  93  10.178   0.798  -3.938
  744    HG   LEU  93           HG       LEU  93  11.709   2.027  -2.596
  745   1HD1  LEU  93          1HD1      LEU  93  10.175   3.463  -4.588
  746   2HD1  LEU  93          2HD1      LEU  93  11.522   4.300  -3.821
  747   3HD1  LEU  93          3HD1      LEU  93  11.811   2.772  -4.635
  748   1HD2  LEU  93          2HD2      LEU  93   9.215   3.553  -1.720
  749   2HD2  LEU  93          3HD2      LEU  93  10.400   2.869  -0.612
  750   3HD2  LEU  93          1HD2      LEU  93  10.802   4.270  -1.635
  751    H    LYS  94           H        LYS  94   8.996   1.114  -5.779
  752    HA   LYS  94           HA       LYS  94   8.929   3.814  -6.688
  753   1HB   LYS  94           HB1      LYS  94  10.571   2.344  -7.581
  754   2HB   LYS  94           HB2      LYS  94   9.335   1.226  -8.208
  755   1HG   LYS  94           HG1      LYS  94   8.517   3.616  -9.369
  756   2HG   LYS  94           HG2      LYS  94  10.250   3.882  -9.260
  757   1HD   LYS  94           HD1      LYS  94   9.742   3.033 -11.453
  758   2HD   LYS  94           HD2      LYS  94  10.615   1.733 -10.605
  759   1HE   LYS  94           HE1      LYS  94   8.588   0.483 -10.214
  760   2HE   LYS  94           HE2      LYS  94   7.534   1.873 -10.523
  761   1HZ   LYS  94           HZ1      LYS  94   8.390   1.919 -12.804
  762   2HZ   LYS  94           HZ2      LYS  94   9.165   0.420 -12.511
  763   3HZ   LYS  94           HZ3      LYS  94   7.469   0.516 -12.419
  764    H    ALA  95           H        ALA  95   6.596   1.234  -6.569
  765    HA   ALA  95           HA       ALA  95   4.925   2.278  -8.681
  766   1HB   ALA  95           HB1      ALA  95   5.250  -0.236  -8.085
  767   2HB   ALA  95           HB2      ALA  95   4.051   0.041  -6.793
  768   3HB   ALA  95           HB3      ALA  95   3.611   0.314  -8.482
  769    H    ALA  96           H        ALA  96   5.220   2.493  -5.228
  770    HA   ALA  96           HA       ALA  96   2.714   3.573  -4.538
  771   1HB   ALA  96           HB2      ALA  96   5.455   3.405  -3.273
  772   2HB   ALA  96           HB3      ALA  96   4.359   4.657  -2.662
  773   3HB   ALA  96           HB1      ALA  96   3.869   2.954  -2.622
  774    H    VAL  97           H        VAL  97   5.940   5.124  -5.207
  775    HA   VAL  97           HA       VAL  97   5.254   7.812  -5.308
  776    HB   VAL  97           HB       VAL  97   7.416   6.116  -6.143
  777   1HG1  VAL  97          2HG1      VAL  97   6.649   7.996  -8.277
  778   2HG1  VAL  97          3HG1      VAL  97   8.340   7.786  -7.940
  779   3HG1  VAL  97          1HG1      VAL  97   7.319   6.363  -8.275
  780   1HG2  VAL  97          1HG2      VAL  97   6.944   8.648  -4.791
  781   2HG2  VAL  97          2HG2      VAL  97   8.428   7.676  -4.759
  782   3HG2  VAL  97          3HG2      VAL  97   8.223   8.855  -6.039
  783    H    ALA  98           H        ALA  98   4.857   5.155  -7.710
  784    HA   ALA  98           HA       ALA  98   4.236   6.765  -9.959
  785   1HB   ALA  98           HB3      ALA  98   5.118   4.238  -9.729
  786   2HB   ALA  98           HB1      ALA  98   3.373   3.921  -9.773
  787   3HB   ALA  98           HB2      ALA  98   4.143   4.725 -11.129
  788    H    ALA  99           H        ALA  99   2.478   5.548  -7.237
  789    HA   ALA  99           HA       ALA  99  -0.114   5.469  -8.544
  790   1HB   ALA  99           HB1      ALA  99   1.123   4.085  -6.295
  791   2HB   ALA  99           HB2      ALA  99  -0.394   4.805  -5.801
  792   3HB   ALA  99           HB3      ALA  99  -0.388   3.705  -7.168
  793    H    ILE 100           H        ILE 100   1.726   7.119  -5.973
  794    HA   ILE 100           HA       ILE 100   0.096   8.943  -4.820
  795    HB   ILE 100           HB       ILE 100   2.906   8.814  -5.521
  796   1HG1  ILE 100          1HG1      ILE 100   1.369   8.786  -3.081
  797   2HG1  ILE 100          2HG1      ILE 100   3.109   8.575  -3.290
  798   1HG2  ILE 100          3HG2      ILE 100   2.604  10.808  -6.669
  799   2HG2  ILE 100          1HG2      ILE 100   1.794  11.510  -5.272
  800   3HG2  ILE 100          2HG2      ILE 100   3.520  11.038  -5.191
  801   1HD1  ILE 100           HD2      ILE 100   2.491  11.445  -3.312
  802   2HD1  ILE 100           HD3      ILE 100   1.801  10.645  -1.944
  803   3HD1  ILE 100           HD1      ILE 100   3.523  10.382  -2.378
  804    H    LYS 101           H        LYS 101   2.002   9.358  -7.790
  805    HA   LYS 101           HA       LYS 101   0.732  11.775  -8.599
  806   1HB   LYS 101           HB1      LYS 101   3.120  10.816  -9.125
  807   2HB   LYS 101           HB2      LYS 101   2.324  10.196 -10.586
  808   1HG   LYS 101           HG1      LYS 101   1.353  12.852 -10.349
  809   2HG   LYS 101           HG2      LYS 101   3.049  12.947  -9.866
  810   1HD   LYS 101           HD1      LYS 101   3.279  13.315 -12.105
  811   2HD   LYS 101           HD2      LYS 101   3.399  11.539 -12.112
  812   1HE   LYS 101           HE1      LYS 101   0.625  11.961 -12.163
  813   2HE   LYS 101           HE2      LYS 101   1.258  13.269 -13.199
  814   1HZ   LYS 101           HZ1      LYS 101   2.525  11.610 -14.406
  815   2HZ   LYS 101           HZ2      LYS 101   1.779  10.370 -13.475
  816   3HZ   LYS 101           HZ3      LYS 101   0.853  11.335 -14.524
  817    H    LYS 102           H        LYS 102   0.363   8.317  -9.746
  818    HA   LYS 102           HA       LYS 102  -1.425   8.973 -11.843
  819   1HB   LYS 102           HB1      LYS 102   0.002   6.766 -11.328
  820   2HB   LYS 102           HB2      LYS 102  -1.572   6.257 -10.633
  821   1HG   LYS 102           HG1      LYS 102  -1.970   7.572 -13.222
  822   2HG   LYS 102           HG2      LYS 102  -0.833   6.192 -13.376
  823   1HD   LYS 102           HD1      LYS 102  -3.259   5.564 -11.822
  824   2HD   LYS 102           HD2      LYS 102  -3.562   6.025 -13.527
  825   1HE   LYS 102           HE1      LYS 102  -2.731   4.018 -14.256
  826   2HE   LYS 102           HE2      LYS 102  -1.197   4.276 -13.369
  827   1HZ   LYS 102           HZ1      LYS 102  -2.340   3.515 -11.375
  828   2HZ   LYS 102           HZ2      LYS 102  -3.684   3.098 -12.321
  829   3HZ   LYS 102           HZ3      LYS 102  -2.187   2.327 -12.610
  830    H    ALA 103           H        ALA 103  -1.774   9.136  -8.497
  831    HA   ALA 103           HA       ALA 103  -4.427   8.555  -7.945
  832   1HB   ALA 103           HB2      ALA 103  -2.423  10.517  -6.849
  833   2HB   ALA 103           HB3      ALA 103  -4.124  10.684  -6.374
  834   3HB   ALA 103           HB1      ALA 103  -3.246   9.173  -6.067
  835    H    ALA 104           H        ALA 104  -2.912  11.366  -9.496
  836    HA   ALA 104           HA       ALA 104  -4.537  11.731 -11.545
  837   1HB   ALA 104           HB3      ALA 104  -6.375  12.078  -9.623
  838   2HB   ALA 104           HB1      ALA 104  -5.780  13.723  -9.646
  839   3HB   ALA 104           HB2      ALA 104  -6.442  13.042 -11.132
  840    H    ALA 105           H        ALA 105  -4.151  13.602 -12.784
  841    HA   ALA 105           HA       ALA 105  -2.125  15.492 -11.752
  842   1HB   ALA 105           HB3      ALA 105  -1.859  14.172 -14.017
  843   2HB   ALA 105           HB1      ALA 105  -3.001  15.363 -14.676
  844   3HB   ALA 105           HB2      ALA 105  -1.463  15.893 -14.014
  845    H    ASN 106           H        ASN 106  -2.560  17.652 -13.446
  846    HA   ASN 106           HA       ASN 106  -4.796  19.083 -12.523
  847   1HB   ASN 106           HB1      ASN 106  -2.504  19.783 -13.880
  848   2HB   ASN 106           HB2      ASN 106  -3.665  19.809 -15.210
  849   1HD2  ASN 106          1HD2      ASN 106  -4.204  23.148 -14.334
  850   2HD2  ASN 106          2HD2      ASN 106  -3.488  22.032 -15.516
   
  No H/Q in entry =         850
  Start of MODEL   17
    1    H    MET   1           H        MET   1  10.247  17.192  10.980
    2    HA   MET   1           HA       MET   1  11.905  15.768   9.160
    3   1HB   MET   1           HB1      MET   1  12.318  14.928  11.685
    4   2HB   MET   1           HB2      MET   1  10.777  14.073  11.438
    5   1HG   MET   1           HG1      MET   1  12.377  12.482  10.798
    6   2HG   MET   1           HG2      MET   1  11.935  13.176   9.225
    7   1HE   MET   1           HE3      MET   1  13.259  13.367   7.703
    8   2HE   MET   1           HE1      MET   1  14.464  14.686   7.732
    9   3HE   MET   1           HE2      MET   1  14.980  12.997   7.760
   10    H    GLU   2           H        GLU   2  10.556  15.026   7.531
   11    HA   GLU   2           HA       GLU   2   8.004  16.133   7.376
   12   1HB   GLU   2           HB1      GLU   2   9.454  14.080   5.714
   13   2HB   GLU   2           HB2      GLU   2   7.851  14.752   5.250
   14   1HG   GLU   2           HG1      GLU   2  10.364  16.400   5.687
   15   2HG   GLU   2           HG2      GLU   2   9.738  15.868   4.093
   16    H    LYS   3           H        LYS   3   8.668  12.617   6.843
   17    HA   LYS   3           HA       LYS   3   8.019  10.829   8.084
   18   1HB   LYS   3           HB1      LYS   3   6.210  12.796   9.489
   19   2HB   LYS   3           HB2      LYS   3   6.455  11.178  10.078
   20   1HG   LYS   3           HG1      LYS   3   8.298  13.520  10.121
   21   2HG   LYS   3           HG2      LYS   3   8.050  12.272  11.371
   22   1HD   LYS   3           HD1      LYS   3   9.610  11.805   8.811
   23   2HD   LYS   3           HD2      LYS   3  10.362  12.238  10.375
   24   1HE   LYS   3           HE1      LYS   3   9.825  10.180  11.385
   25   2HE   LYS   3           HE2      LYS   3   8.448   9.898  10.275
   26   1HZ   LYS   3           HZ1      LYS   3  10.130   9.648   8.515
   27   2HZ   LYS   3           HZ2      LYS   3  11.339   9.737   9.707
   28   3HZ   LYS   3           HZ3      LYS   3  10.211   8.445   9.716
   29    H    LYS   4           H        LYS   4   6.667   9.216   7.084
   30    HA   LYS   4           HA       LYS   4   4.016   9.919   6.404
   31   1HB   LYS   4           HB1      LYS   4   6.034   9.623   4.136
   32   2HB   LYS   4           HB2      LYS   4   4.272   9.437   3.893
   33   1HG   LYS   4           HG1      LYS   4   4.385  11.802   5.304
   34   2HG   LYS   4           HG2      LYS   4   5.917  11.870   4.372
   35   1HD   LYS   4           HD1      LYS   4   4.101  11.146   2.461
   36   2HD   LYS   4           HD2      LYS   4   3.085  12.157   3.503
   37   1HE   LYS   4           HE1      LYS   4   4.142  13.733   1.974
   38   2HE   LYS   4           HE2      LYS   4   5.064  13.843   3.499
   39   1HZ   LYS   4           HZ1      LYS   4   6.606  12.210   2.525
   40   2HZ   LYS   4           HZ2      LYS   4   5.788  12.342   1.058
   41   3HZ   LYS   4           HZ3      LYS   4   6.586  13.721   1.702
   42    H    HIS   5           H        HIS   5   2.642   8.282   6.275
   43    HA   HIS   5           HA       HIS   5   3.455   5.543   6.427
   44   1HB   HIS   5           HB1      HIS   5   0.798   6.993   6.266
   45   2HB   HIS   5           HB2      HIS   5   0.926   5.224   6.291
   46    HD1  HIS   5           HD1      HIS   5  -0.444   6.471   8.783
   47    HD2  HIS   5           HD2      HIS   5   3.691   6.065   8.446
   48    HE1  HIS   5           HE1      HIS   5   0.580   6.956  11.152
   49    H    ILE   6           H        ILE   6   3.521   3.999   4.846
   50    HA   ILE   6           HA       ILE   6   2.034   4.430   2.335
   51    HB   ILE   6           HB       ILE   6   4.832   3.477   2.598
   52   1HG1  ILE   6          1HG1      ILE   6   3.550   5.062   0.355
   53   2HG1  ILE   6          2HG1      ILE   6   3.970   5.825   1.924
   54   1HG2  ILE   6          1HG2      ILE   6   3.162   1.804   1.326
   55   2HG2  ILE   6          2HG2      ILE   6   3.809   2.778  -0.024
   56   3HG2  ILE   6          3HG2      ILE   6   4.898   1.925   1.013
   57   1HD1  ILE   6           HD2      ILE   6   6.411   4.708   1.337
   58   2HD1  ILE   6           HD3      ILE   6   5.789   4.842  -0.265
   59   3HD1  ILE   6           HD1      ILE   6   5.845   6.290   0.762
   60    H    TYR   7           H        TYR   7   0.240   3.441   2.911
   61    HA   TYR   7           HA       TYR   7   0.134   0.974   4.571
   62   1HB   TYR   7           HB1      TYR   7  -1.701   3.324   4.197
   63   2HB   TYR   7           HB2      TYR   7  -2.275   1.727   4.762
   64    HD1  TYR   7           HD1      TYR   7   1.100   2.721   5.810
   65    HD2  TYR   7           HD2      TYR   7  -2.974   2.173   6.881
   66    HE1  TYR   7           HE1      TYR   7   1.614   3.695   8.083
   67    HE2  TYR   7           HE2      TYR   7  -2.644   3.440   9.049
   68    HH   TYR   7           HH       TYR   7  -1.141   4.338  10.392
   69    H    LEU   8           H        LEU   8  -1.585  -0.503   4.129
   70    HA   LEU   8           HA       LEU   8  -2.219  -1.006   1.329
   71    HB   LEU   8           HB1      LEU   8   0.323  -1.268   1.796
   72   2HB   LEU   8           HB2      LEU   8  -0.080  -2.258   3.227
   73    HG   LEU   8           HG       LEU   8  -0.851  -3.996   1.302
   74   1HD1  LEU   8          3HD1      LEU   8   0.807  -2.238  -0.249
   75   2HD1  LEU   8          1HD1      LEU   8   1.205  -3.955  -0.231
   76   3HD1  LEU   8          2HD1      LEU   8  -0.404  -3.433  -0.748
   77   1HD2  LEU   8          3HD2      LEU   8   1.553  -3.279   2.956
   78   2HD2  LEU   8          1HD2      LEU   8   0.781  -4.816   2.738
   79   3HD2  LEU   8          2HD2      LEU   8   1.931  -4.219   1.523
   80    H    PHE   9           H        PHE   9  -3.764  -2.802   1.207
   81    HA   PHE   9           HA       PHE   9  -4.760  -3.870   3.762
   82   1HB   PHE   9           HB1      PHE   9  -6.460  -2.142   1.900
   83   2HB   PHE   9           HB2      PHE   9  -7.007  -3.029   3.368
   84    HD1  PHE   9           HD1      PHE   9  -4.263  -0.677   2.364
   85    HD2  PHE   9           HD2      PHE   9  -7.327  -1.686   5.209
   86    HE1  PHE   9           HE1      PHE   9  -3.763   1.386   3.679
   87    HE2  PHE   9           HE2      PHE   9  -6.175  -0.243   6.907
   88    HZ   PHE   9           HZ       PHE   9  -4.643   1.555   6.053
   89    H    SER  10           H        SER  10  -3.866  -5.903   2.900
   90    HA   SER  10           HA       SER  10  -4.741  -6.956   0.406
   91   1HB   SER  10           HB1      SER  10  -2.645  -7.528   1.002
   92   2HB   SER  10           HB2      SER  10  -2.947  -7.586   2.760
   93    HG   SER  10           HG       SER  10  -2.566  -9.727   1.727
   94    H    SER  11           H        SER  11  -5.427  -9.350   0.345
   95    HA   SER  11           HA       SER  11  -7.099 -10.356   2.536
   96   1HB   SER  11           HB1      SER  11  -7.173 -10.575  -0.243
   97   2HB   SER  11           HB2      SER  11  -6.707 -12.194   0.352
   98    HG   SER  11           HG       SER  11  -9.025 -11.894   0.177
   99    H    ALA  12           H        ALA  12  -4.119 -10.914   0.645
  100    HA   ALA  12           HA       ALA  12  -3.785 -13.635   1.539
  101   1HB   ALA  12           HB2      ALA  12  -3.164 -12.204  -0.836
  102   2HB   ALA  12           HB3      ALA  12  -1.647 -12.689  -0.154
  103   3HB   ALA  12           HB1      ALA  12  -2.862 -13.922  -0.486
  104    H    GLY  13           H        GLY  13  -3.161 -13.140   3.838
  105   1HA   GLY  13           HA1      GLY  13  -0.644 -12.214   4.657
  106   2HA   GLY  13           HA2      GLY  13  -1.553 -13.598   5.292
  107    H    MET  14           H        MET  14   0.152 -12.950   2.195
  108    HA   MET  14           HA       MET  14   2.437 -14.123   2.768
  109   1HB   MET  14           HB1      MET  14   0.587 -16.255   2.250
  110   2HB   MET  14           HB2      MET  14   1.622 -16.180   0.807
  111   1HG   MET  14           HG1      MET  14   2.960 -17.548   1.959
  112   2HG   MET  14           HG2      MET  14   3.543 -16.045   2.707
  113   1HE   MET  14           HE1      MET  14   3.087 -19.133   3.070
  114   2HE   MET  14           HE2      MET  14   3.364 -19.338   4.800
  115   3HE   MET  14           HE3      MET  14   1.764 -19.698   4.098
  116    H    SER  15           H        SER  15   3.096 -12.306   1.669
  117    HA   SER  15           HA       SER  15   3.646 -11.815  -0.848
  118   1HB   SER  15           HB1      SER  15   0.675 -11.506  -0.276
  119   2HB   SER  15           HB2      SER  15   1.461 -10.403  -1.443
  120    HG   SER  15           HG       SER  15   0.436 -12.341  -2.389
  121    H    THR  16           H        THR  16   1.404 -10.371   1.468
  122    HA   THR  16           HA       THR  16   2.039  -7.645   1.049
  123    HB   THR  16           HB       THR  16   0.842  -7.968   3.641
  124    HG1  THR  16           HG1      THR  16  -1.075  -9.213   2.910
  125   1HG2  THR  16          1HG2      THR  16   0.630  -6.294   1.540
  126   2HG2  THR  16          2HG2      THR  16  -0.952  -7.020   1.568
  127   3HG2  THR  16          3HG2      THR  16  -0.302  -6.329   3.062
  128    H    SER  17           H        SER  17   2.835 -10.005   3.702
  129    HA   SER  17           HA       SER  17   3.400  -7.991   5.623
  130   1HB   SER  17           HB1      SER  17   4.707 -10.564   6.144
  131   2HB   SER  17           HB2      SER  17   3.314  -9.830   6.985
  132    HG   SER  17           HG       SER  17   2.883 -11.920   5.889
  133    H    LEU  18           H        LEU  18   5.787 -10.491   4.496
  134    HA   LEU  18           HA       LEU  18   8.120  -9.275   4.576
  135   1HB   LEU  18           HB1      LEU  18   7.959 -10.483   1.852
  136   2HB   LEU  18           HB2      LEU  18   8.598 -11.174   3.346
  137    HG   LEU  18           HG       LEU  18   7.023 -12.615   2.151
  138   1HD1  LEU  18          1HD1      LEU  18   7.343 -12.517   4.731
  139   2HD1  LEU  18          2HD1      LEU  18   5.585 -12.546   4.627
  140   3HD1  LEU  18          3HD1      LEU  18   6.500 -13.766   3.786
  141   1HD2  LEU  18          3HD2      LEU  18   5.227 -10.227   2.438
  142   2HD2  LEU  18          1HD2      LEU  18   5.197 -11.538   1.246
  143   3HD2  LEU  18          2HD2      LEU  18   4.517 -11.801   2.867
  144    H    LEU  19           H        LEU  19   5.686  -8.257   1.987
  145    HA   LEU  19           HA       LEU  19   7.224  -6.612   0.387
  146   1HB   LEU  19           HB1      LEU  19   4.441  -6.472   1.691
  147   2HB   LEU  19           HB2      LEU  19   4.940  -5.212   0.561
  148    HG   LEU  19           HG       LEU  19   3.810  -7.870   0.050
  149   1HD1  LEU  19          1HD1      LEU  19   3.248  -5.247  -0.567
  150   2HD1  LEU  19          2HD1      LEU  19   3.482  -6.092  -2.112
  151   3HD1  LEU  19          3HD1      LEU  19   2.380  -6.757  -0.945
  152   1HD2  LEU  19          3HD2      LEU  19   6.400  -7.706  -0.978
  153   2HD2  LEU  19          1HD2      LEU  19   5.056  -8.672  -1.587
  154   3HD2  LEU  19          2HD2      LEU  19   5.418  -7.051  -2.273
  155    H    VAL  20           H        VAL  20   5.499  -5.928   3.453
  156    HA   VAL  20           HA       VAL  20   5.871  -3.030   3.456
  157    HB   VAL  20           HB       VAL  20   5.360  -3.716   6.045
  158   1HG1  VAL  20          1HG1      VAL  20   3.686  -2.798   3.841
  159   2HG1  VAL  20          2HG1      VAL  20   2.928  -3.226   5.395
  160   3HG1  VAL  20          3HG1      VAL  20   4.072  -1.935   5.321
  161   1HG2  VAL  20          1HG2      VAL  20   4.989  -6.087   5.535
  162   2HG2  VAL  20          2HG2      VAL  20   3.539  -5.338   6.154
  163   3HG2  VAL  20          3HG2      VAL  20   3.641  -5.650   4.424
  164    H    SER  21           H        SER  21   7.493  -5.890   4.892
  165    HA   SER  21           HA       SER  21   8.955  -4.414   6.803
  166   1HB   SER  21           HB1      SER  21   9.850  -7.152   5.908
  167   2HB   SER  21           HB2      SER  21   9.661  -6.510   7.573
  168    HG   SER  21           HG       SER  21   8.011  -8.115   6.899
  169    H    LYS  22           H        LYS  22   9.435  -5.162   3.425
  170    HA   LYS  22           HA       LYS  22  12.268  -4.348   3.584
  171   1HB   LYS  22           HB1      LYS  22  12.949  -5.760   1.979
  172   2HB   LYS  22           HB2      LYS  22  11.586  -6.734   2.591
  173   1HG   LYS  22           HG1      LYS  22  10.159  -5.451   0.740
  174   2HG   LYS  22           HG2      LYS  22  11.751  -5.038   0.054
  175   1HD   LYS  22           HD1      LYS  22  11.239  -6.991  -1.087
  176   2HD   LYS  22           HD2      LYS  22  12.202  -7.608   0.283
  177   1HE   LYS  22           HE1      LYS  22   9.404  -7.324   1.072
  178   2HE   LYS  22           HE2      LYS  22   9.530  -8.442  -0.326
  179   1HZ   LYS  22           HZ1      LYS  22  11.379  -9.530   0.900
  180   2HZ   LYS  22           HZ2      LYS  22  10.963  -8.573   2.238
  181   3HZ   LYS  22           HZ3      LYS  22   9.808  -9.681   1.629
  182    H    MET  23           H        MET  23   9.118  -3.856   1.952
  183    HA   MET  23           HA       MET  23   9.424  -1.677   0.493
  184   1HB   MET  23           HB1      MET  23   7.421  -2.932   2.006
  185   2HB   MET  23           HB2      MET  23   7.266  -1.191   2.237
  186   1HG   MET  23           HG1      MET  23   7.861  -1.806  -0.540
  187   2HG   MET  23           HG2      MET  23   6.391  -2.627   0.014
  188   1HE   MET  23           HE1      MET  23   8.151   0.481  -0.933
  189   2HE   MET  23           HE2      MET  23   7.210   1.906  -0.388
  190   3HE   MET  23           HE3      MET  23   8.030   0.888   0.783
  191    H    ARG  24           H        ARG  24   8.892  -1.704   4.070
  192    HA   ARG  24           HA       ARG  24   9.888   0.624   4.986
  193   1HB   ARG  24           HB1      ARG  24   9.948  -2.193   6.026
  194   2HB   ARG  24           HB2      ARG  24  10.876  -0.933   6.887
  195   1HG   ARG  24           HG1      ARG  24   8.984  -0.108   7.770
  196   2HG   ARG  24           HG2      ARG  24   8.254   0.076   6.165
  197   1HD   ARG  24           HD1      ARG  24   7.142  -1.916   6.152
  198   2HD   ARG  24           HD2      ARG  24   8.303  -2.690   7.276
  199    HE   ARG  24           HE       ARG  24   6.275  -0.588   7.985
  200   1HH1  ARG  24          2HH1      ARG  24   8.037  -3.337   9.028
  201   2HH1  ARG  24          1HH1      ARG  24   6.816  -3.633  10.452
  202   1HH2  ARG  24          2HH2      ARG  24   5.166  -0.864   9.761
  203   2HH2  ARG  24          1HH2      ARG  24   5.664  -2.233  10.993
  204    H    ALA  25           H        ALA  25  11.993  -2.310   4.531
  205    HA   ALA  25           HA       ALA  25  14.513  -1.573   4.783
  206   1HB   ALA  25           HB1      ALA  25  13.346  -3.005   2.405
  207   2HB   ALA  25           HB2      ALA  25  15.048  -2.924   2.708
  208   3HB   ALA  25           HB3      ALA  25  14.054  -3.716   3.907
  209    H    GLN  26           H        GLN  26  12.947  -1.278   1.600
  210    HA   GLN  26           HA       GLN  26  14.661   0.505   0.335
  211   1HB   GLN  26           HB1      GLN  26  11.757   0.966  -0.325
  212   2HB   GLN  26           HB2      GLN  26  13.077   0.488  -1.411
  213   1HG   GLN  26           HG1      GLN  26  11.206  -1.379   0.157
  214   2HG   GLN  26           HG2      GLN  26  11.340  -1.039  -1.540
  215   1HE2  GLN  26          1HE2      GLN  26  14.693  -3.124  -0.696
  216   2HE2  GLN  26          2HE2      GLN  26  14.553  -1.505   0.049
  217    H    ALA  27           H        ALA  27  11.596   1.342   2.158
  218    HA   ALA  27           HA       ALA  27  11.993   4.179   1.514
  219   1HB   ALA  27           HB1      ALA  27   9.775   2.327   2.162
  220   2HB   ALA  27           HB2      ALA  27   9.662   3.806   3.135
  221   3HB   ALA  27           HB3      ALA  27   9.677   3.895   1.358
  222    H    GLU  28           H        GLU  28  13.217   2.251   3.811
  223    HA   GLU  28           HA       GLU  28  13.643   4.565   5.618
  224   1HB   GLU  28           HB1      GLU  28  14.237   1.648   6.233
  225   2HB   GLU  28           HB2      GLU  28  14.635   3.051   7.247
  226   1HG   GLU  28           HG1      GLU  28  12.167   3.685   7.181
  227   2HG   GLU  28           HG2      GLU  28  11.838   2.093   6.454
  228    H    LYS  29           H        LYS  29  15.533   1.799   4.067
  229    HA   LYS  29           HA       LYS  29  17.974   2.367   3.473
  230   1HB   LYS  29           HB1      LYS  29  15.983   1.173   2.251
  231   2HB   LYS  29           HB2      LYS  29  16.021   2.626   1.236
  232   1HG   LYS  29           HG1      LYS  29  17.398   1.055   0.112
  233   2HG   LYS  29           HG2      LYS  29  18.577   2.098   0.953
  234   1HD   LYS  29           HD1      LYS  29  19.181  -0.281   1.061
  235   2HD   LYS  29           HD2      LYS  29  18.901   0.384   2.676
  236   1HE   LYS  29           HE1      LYS  29  16.407  -0.475   1.426
  237   2HE   LYS  29           HE2      LYS  29  17.588  -1.797   1.519
  238   1HZ   LYS  29           HZ1      LYS  29  17.892  -1.161   3.902
  239   2HZ   LYS  29           HZ2      LYS  29  16.583  -0.088   3.707
  240   3HZ   LYS  29           HZ3      LYS  29  16.344  -1.780   3.550
  241    H    TYR  30           H        TYR  30  15.326   4.516   2.336
  242    HA   TYR  30           HA       TYR  30  17.158   6.096   0.724
  243   1HB   TYR  30           HB1      TYR  30  14.338   5.213   0.388
  244   2HB   TYR  30           HB2      TYR  30  15.147   6.307  -0.748
  245    HD1  TYR  30           HD2      TYR  30  17.867   5.048  -0.676
  246    HD2  TYR  30           HD1      TYR  30  13.929   3.229  -0.850
  247    HE1  TYR  30           HE2      TYR  30  18.818   2.846  -1.500
  248    HE2  TYR  30           HE1      TYR  30  14.887   1.245  -2.022
  249    HH   TYR  30           HH       TYR  30  18.377   1.300  -3.042
  250    H    GLU  31           H        GLU  31  14.863   6.165   3.297
  251    HA   GLU  31           HA       GLU  31  14.616   7.819   4.813
  252   1HB   GLU  31           HB1      GLU  31  15.715   9.528   2.565
  253   2HB   GLU  31           HB2      GLU  31  14.694  10.342   3.759
  254   1HG   GLU  31           HG1      GLU  31  16.234   9.804   5.553
  255   2HG   GLU  31           HG2      GLU  31  17.138   8.639   4.517
  256    H    VAL  32           H        VAL  32  12.899   6.862   2.252
  257    HA   VAL  32           HA       VAL  32  10.948   8.738   1.669
  258    HB   VAL  32           HB       VAL  32  10.613   5.780   1.606
  259   1HG1  VAL  32          2HG1      VAL  32   9.018   7.882   0.393
  260   2HG1  VAL  32          3HG1      VAL  32   9.317   6.464  -0.586
  261   3HG1  VAL  32          1HG1      VAL  32   8.661   6.255   1.042
  262   1HG2  VAL  32          2HG2      VAL  32  12.717   7.189   0.282
  263   2HG2  VAL  32          3HG2      VAL  32  12.098   5.622  -0.213
  264   3HG2  VAL  32          1HG2      VAL  32  11.412   7.103  -0.896
  265    HA   PRO  33           HA       PRO  33  10.186   8.970   6.025
  266   1HB   PRO  33           HB1      PRO  33   7.821  10.585   5.914
  267   2HB   PRO  33           HB2      PRO  33   9.515  11.085   6.126
  268   1HG   PRO  33           HG1      PRO  33   7.897  10.908   3.499
  269   2HG   PRO  33           HG2      PRO  33   9.099  12.131   3.969
  270   1HD   PRO  33           HD2      PRO  33   9.835  10.145   2.266
  271   2HD   PRO  33           HD1      PRO  33  10.962  10.570   3.563
  272    H    VAL  34           H        VAL  34   8.464   9.089   7.679
  273    HA   VAL  34           HA       VAL  34   7.995   7.538   9.182
  274    HB   VAL  34           HB       VAL  34   5.328   7.330   8.141
  275   1HG1  VAL  34          1HG1      VAL  34   6.342   5.751   9.648
  276   2HG1  VAL  34          2HG1      VAL  34   6.229   7.097  10.814
  277   3HG1  VAL  34          3HG1      VAL  34   4.778   6.484  10.073
  278   1HG2  VAL  34          1HG2      VAL  34   6.920   9.543   9.235
  279   2HG2  VAL  34          2HG2      VAL  34   5.191   9.646   8.898
  280   3HG2  VAL  34          3HG2      VAL  34   5.726   8.968  10.413
  281    H    ILE  35           H        ILE  35   5.719   5.565   7.669
  282    HA   ILE  35           HA       ILE  35   7.275   3.153   8.022
  283    HB   ILE  35           HB       ILE  35   4.985   4.537   9.157
  284   1HG1  ILE  35          1HG1      ILE  35   7.101   3.322  10.032
  285   2HG1  ILE  35          2HG1      ILE  35   5.614   3.414  10.989
  286   1HG2  ILE  35          1HG2      ILE  35   4.008   2.218   7.621
  287   2HG2  ILE  35          2HG2      ILE  35   3.230   2.967   9.046
  288   3HG2  ILE  35          3HG2      ILE  35   3.648   3.953   7.653
  289   1HD1  ILE  35           HD3      ILE  35   6.757   0.924   9.698
  290   2HD1  ILE  35           HD1      ILE  35   6.775   1.508  11.409
  291   3HD1  ILE  35           HD2      ILE  35   5.301   0.887  10.624
  292    H    ILE  36           H        ILE  36   6.633   1.302   6.643
  293    HA   ILE  36           HA       ILE  36   4.416   1.669   4.740
  294    HB   ILE  36           HB       ILE  36   6.027  -0.808   4.717
  295   1HG1  ILE  36          1HG1      ILE  36   7.914   0.206   3.974
  296   2HG1  ILE  36          2HG1      ILE  36   6.936   0.648   2.530
  297   1HG2  ILE  36          1HG2      ILE  36   3.956  -0.876   3.743
  298   2HG2  ILE  36          2HG2      ILE  36   4.335   0.517   2.675
  299   3HG2  ILE  36          3HG2      ILE  36   5.172  -1.026   2.471
  300   1HD1  ILE  36           HD1      ILE  36   6.433   2.773   3.581
  301   2HD1  ILE  36           HD2      ILE  36   7.803   2.578   4.687
  302   3HD1  ILE  36           HD3      ILE  36   8.086   2.499   3.005
  303    H    GLU  37           H        GLU  37   2.471   0.646   5.265
  304    HA   GLU  37           HA       GLU  37   2.432  -1.528   7.233
  305   1HB   GLU  37           HB1      GLU  37   0.807   0.976   7.627
  306   2HB   GLU  37           HB2      GLU  37   0.355  -0.615   8.322
  307   1HG   GLU  37           HG1      GLU  37   3.114  -0.076   8.921
  308   2HG   GLU  37           HG2      GLU  37   2.186   1.343   9.368
  309    H    ALA  38           H        ALA  38   1.319  -3.183   6.392
  310    HA   ALA  38           HA       ALA  38  -1.081  -2.624   4.776
  311   1HB   ALA  38           HB3      ALA  38   0.792  -4.750   4.711
  312   2HB   ALA  38           HB1      ALA  38  -0.722  -5.449   5.375
  313   3HB   ALA  38           HB2      ALA  38  -0.731  -4.641   3.830
  314    H    PHE  39           H        PHE  39  -2.949  -4.333   5.311
  315    HA   PHE  39           HA       PHE  39  -3.975  -4.281   7.944
  316   1HB   PHE  39           HB1      PHE  39  -4.514  -2.079   5.950
  317   2HB   PHE  39           HB2      PHE  39  -5.586  -2.376   7.359
  318    HD1  PHE  39           HD2      PHE  39  -2.350  -1.105   6.211
  319    HD2  PHE  39           HD1      PHE  39  -5.130  -1.355   9.523
  320    HE1  PHE  39           HE2      PHE  39  -1.035   0.607   7.486
  321    HE2  PHE  39           HE1      PHE  39  -3.441  -0.204  10.964
  322    HZ   PHE  39           HZ       PHE  39  -1.356   0.703   9.961
  323    HA   PRO  40           HA       PRO  40  -6.973  -6.314   5.118
  324   1HB   PRO  40           HB1      PRO  40  -8.715  -7.406   6.905
  325   2HB   PRO  40           HB2      PRO  40  -7.082  -8.006   6.671
  326   1HG   PRO  40           HG1      PRO  40  -8.184  -6.454   9.008
  327   2HG   PRO  40           HG2      PRO  40  -6.665  -7.357   8.934
  328   1HD   PRO  40           HD2      PRO  40  -7.095  -4.419   8.432
  329   2HD   PRO  40           HD1      PRO  40  -5.545  -5.271   8.720
  330    H    GLU  41           H        GLU  41  -7.819  -4.996   3.823
  331    HA   GLU  41           HA       GLU  41  -8.871  -3.162   3.153
  332   1HB   GLU  41           HB1      GLU  41 -11.190  -4.113   2.269
  333   2HB   GLU  41           HB2      GLU  41  -9.644  -4.771   1.727
  334   1HG   GLU  41           HG1      GLU  41 -11.833  -6.233   2.604
  335   2HG   GLU  41           HG2      GLU  41 -10.182  -6.867   2.415
  336    H    THR  42           H        THR  42 -11.074  -4.538   5.682
  337    HA   THR  42           HA       THR  42 -13.202  -2.747   5.809
  338    HB   THR  42           HB       THR  42 -13.694  -3.432   7.902
  339    HG1  THR  42           HG1      THR  42 -12.039  -4.291   9.418
  340   1HG2  THR  42          3HG2      THR  42 -12.340  -5.672   6.475
  341   2HG2  THR  42          1HG2      THR  42 -12.889  -5.870   8.140
  342   3HG2  THR  42          2HG2      THR  42 -14.039  -5.461   6.890
  343    H    LEU  43           H        LEU  43  -9.811  -2.295   6.620
  344    HA   LEU  43           HA       LEU  43 -10.253  -0.717   9.089
  345   1HB   LEU  43           HB1      LEU  43  -8.771  -3.019   8.197
  346   2HB   LEU  43           HB2      LEU  43  -7.578  -1.738   8.496
  347    HG   LEU  43           HG       LEU  43  -9.575  -2.458  10.607
  348   1HD1  LEU  43          2HD1      LEU  43  -8.426  -4.628   9.761
  349   2HD1  LEU  43          3HD1      LEU  43  -7.035  -3.979  10.602
  350   3HD1  LEU  43          1HD1      LEU  43  -8.623  -4.198  11.433
  351   1HD2  LEU  43          3HD2      LEU  43  -7.729  -0.424  10.324
  352   2HD2  LEU  43          1HD2      LEU  43  -8.255  -1.087  11.846
  353   3HD2  LEU  43          2HD2      LEU  43  -6.730  -1.654  11.052
  354    H    ALA  44           H        ALA  44  -9.139  -0.441   5.753
  355    HA   ALA  44           HA       ALA  44  -7.325   1.632   5.876
  356   1HB   ALA  44           HB3      ALA  44  -9.349   0.604   3.852
  357   2HB   ALA  44           HB1      ALA  44  -8.662   2.187   3.574
  358   3HB   ALA  44           HB2      ALA  44  -7.578   0.766   3.752
  359    H    GLY  45           H        GLY  45 -10.955   1.980   5.755
  360   1HA   GLY  45           HA1      GLY  45 -11.523   4.569   5.637
  361   2HA   GLY  45           HA2      GLY  45 -12.102   3.540   6.971
  362    H    GLU  46           H        GLU  46 -10.284   3.170   8.681
  363    HA   GLU  46           HA       GLU  46  -9.778   5.780   9.900
  364   1HB   GLU  46           HB1      GLU  46 -10.069   3.062  10.808
  365   2HB   GLU  46           HB2      GLU  46  -8.587   3.740  11.475
  366   1HG   GLU  46           HG1      GLU  46  -9.768   5.724  12.278
  367   2HG   GLU  46           HG2      GLU  46 -11.317   5.118  11.659
  368    H    LYS  47           H        LYS  47  -7.656   2.870   9.100
  369    HA   LYS  47           HA       LYS  47  -5.255   4.094   9.886
  370   1HB   LYS  47           HB1      LYS  47  -5.956   1.625   8.369
  371   2HB   LYS  47           HB2      LYS  47  -4.263   2.105   8.607
  372   1HG   LYS  47           HG1      LYS  47  -5.711   0.503  10.410
  373   2HG   LYS  47           HG2      LYS  47  -4.303   1.536  10.875
  374   1HD   LYS  47           HD1      LYS  47  -6.039   3.355  11.423
  375   2HD   LYS  47           HD2      LYS  47  -7.254   2.090  11.191
  376   1HE   LYS  47           HE1      LYS  47  -6.834   1.215  13.215
  377   2HE   LYS  47           HE2      LYS  47  -5.111   1.031  12.801
  378   1HZ   LYS  47           HZ1      LYS  47  -4.840   3.405  13.364
  379   2HZ   LYS  47           HZ2      LYS  47  -6.450   3.459  13.901
  380   3HZ   LYS  47           HZ3      LYS  47  -5.324   2.444  14.714
  381    H    GLY  48           H        GLY  48  -6.614   3.179   6.696
  382   1HA   GLY  48           HA1      GLY  48  -4.703   4.238   4.999
  383   2HA   GLY  48           HA2      GLY  48  -6.379   3.864   4.576
  384    H    GLN  49           H        GLN  49  -7.729   5.922   6.192
  385    HA   GLN  49           HA       GLN  49  -7.194   8.377   4.938
  386   1HB   GLN  49           HB1      GLN  49  -8.857   9.241   6.475
  387   2HB   GLN  49           HB2      GLN  49  -9.343   7.553   6.196
  388   1HG   GLN  49           HG1      GLN  49  -9.207   7.102   8.373
  389   2HG   GLN  49           HG2      GLN  49  -7.505   7.549   8.441
  390   1HE2  GLN  49          1HE2      GLN  49  -8.996   9.803  10.840
  391   2HE2  GLN  49          2HE2      GLN  49  -8.931   8.009  10.693
  392    H    ASN  50           H        ASN  50  -5.833   6.591   7.558
  393    HA   ASN  50           HA       ASN  50  -4.255   8.749   8.773
  394   1HB   ASN  50           HB1      ASN  50  -4.683   5.866   9.490
  395   2HB   ASN  50           HB2      ASN  50  -3.395   6.848  10.210
  396   1HD2  ASN  50          1HD2      ASN  50  -6.701   8.943  11.082
  397   2HD2  ASN  50          2HD2      ASN  50  -5.974   8.966   9.476
  398    H    ALA  51           H        ALA  51  -4.008   6.920   6.043
  399    HA   ALA  51           HA       ALA  51  -1.070   6.882   6.095
  400   1HB   ALA  51           HB1      ALA  51  -3.024   5.245   4.517
  401   2HB   ALA  51           HB2      ALA  51  -1.507   5.673   3.753
  402   3HB   ALA  51           HB3      ALA  51  -1.478   4.841   5.308
  403    H    ASP  52           H        ASP  52   0.067   7.611   4.226
  404    HA   ASP  52           HA       ASP  52  -1.080   9.935   2.778
  405   1HB   ASP  52           HB1      ASP  52   1.682   9.224   3.662
  406   2HB   ASP  52           HB2      ASP  52   1.588   9.915   2.042
  407    H    VAL  53           H        VAL  53   0.093   6.617   2.282
  408    HA   VAL  53           HA       VAL  53  -1.164   6.628  -0.356
  409    HB   VAL  53           HB       VAL  53   1.686   5.704   0.029
  410   1HG1  VAL  53          1HG1      VAL  53  -0.195   4.976  -2.064
  411   2HG1  VAL  53          2HG1      VAL  53   1.547   5.133  -2.439
  412   3HG1  VAL  53          3HG1      VAL  53   1.014   3.961  -1.265
  413   1HG2  VAL  53          1HG2      VAL  53   0.760   8.226  -0.682
  414   2HG2  VAL  53          2HG2      VAL  53   2.366   7.621  -1.009
  415   3HG2  VAL  53          3HG2      VAL  53   1.123   7.460  -2.243
  416    H    VAL  54           H        VAL  54  -1.813   4.383  -0.935
  417    HA   VAL  54           HA       VAL  54  -2.089   2.599   1.302
  418    HB   VAL  54           HB       VAL  54  -4.204   4.544   0.602
  419   1HG1  VAL  54          2HG1      VAL  54  -4.928   1.721   0.844
  420   2HG1  VAL  54          3HG1      VAL  54  -5.935   2.892   1.653
  421   3HG1  VAL  54          1HG1      VAL  54  -5.573   3.119  -0.072
  422   1HG2  VAL  54          1HG2      VAL  54  -2.785   4.683   2.616
  423   2HG2  VAL  54          2HG2      VAL  54  -4.493   4.731   2.985
  424   3HG2  VAL  54          3HG2      VAL  54  -3.664   3.230   3.278
  425    H    LEU  55           H        LEU  55  -2.063   0.605   0.399
  426    HA   LEU  55           HA       LEU  55  -2.783   0.189  -2.428
  427   1HB   LEU  55           HB1      LEU  55  -0.529  -0.975  -0.709
  428   2HB   LEU  55           HB2      LEU  55  -0.736  -1.232  -2.473
  429    HG   LEU  55           HG       LEU  55  -0.508   1.595  -1.689
  430   1HD1  LEU  55          3HD1      LEU  55   0.623   0.918   0.104
  431   2HD1  LEU  55          1HD1      LEU  55   1.910   0.112  -0.901
  432   3HD1  LEU  55          2HD1      LEU  55   1.672   1.855  -0.902
  433   1HD2  LEU  55          3HD2      LEU  55   0.003  -0.034  -3.998
  434   2HD2  LEU  55          1HD2      LEU  55   0.294   1.675  -3.837
  435   3HD2  LEU  55          2HD2      LEU  55   1.624   0.549  -3.497
  436    H    LEU  56           H        LEU  56  -4.348  -1.447  -2.643
  437    HA   LEU  56           HA       LEU  56  -4.925  -3.188  -0.296
  438   1HB   LEU  56           HB1      LEU  56  -7.376  -2.557  -1.841
  439   2HB   LEU  56           HB2      LEU  56  -6.985  -2.153  -0.160
  440    HG   LEU  56           HG       LEU  56  -5.917  -0.443  -2.320
  441   1HD1  LEU  56          3HD1      LEU  56  -8.638  -1.099  -2.295
  442   2HD1  LEU  56          1HD1      LEU  56  -8.318   0.652  -2.218
  443   3HD1  LEU  56          2HD1      LEU  56  -7.691  -0.365  -3.534
  444   1HD2  LEU  56          3HD2      LEU  56  -5.723  -0.302   0.374
  445   2HD2  LEU  56          1HD2      LEU  56  -5.925   1.161  -0.666
  446   3HD2  LEU  56          2HD2      LEU  56  -7.282   0.436   0.274
  447    H    GLY  57           H        GLY  57  -5.970  -5.381  -1.033
  448   1HA   GLY  57           HA1      GLY  57  -3.902  -6.506  -2.390
  449   2HA   GLY  57           HA2      GLY  57  -5.444  -7.315  -2.045
  450    HA   PRO  58           HA       PRO  58  -5.227  -7.018  -6.617
  451   1HB   PRO  58           HB1      PRO  58  -3.193  -8.500  -7.571
  452   2HB   PRO  58           HB2      PRO  58  -2.884  -6.921  -6.830
  453   1HG   PRO  58           HG1      PRO  58  -2.512  -9.654  -5.585
  454   2HG   PRO  58           HG2      PRO  58  -1.516  -8.163  -5.419
  455   1HD   PRO  58           HD2      PRO  58  -3.677  -8.948  -3.562
  456   2HD   PRO  58           HD1      PRO  58  -2.762  -7.403  -3.625
  457    H    GLN  59           H        GLN  59  -5.255  -9.832  -4.645
  458    HA   GLN  59           HA       GLN  59  -7.296 -11.024  -6.398
  459   1HB   GLN  59           HB1      GLN  59  -7.014 -12.994  -4.934
  460   2HB   GLN  59           HB2      GLN  59  -5.344 -12.382  -5.242
  461   1HG   GLN  59           HG1      GLN  59  -5.954 -10.936  -3.116
  462   2HG   GLN  59           HG2      GLN  59  -7.054 -12.339  -2.791
  463   1HE2  GLN  59          1HE2      GLN  59  -2.968 -12.867  -2.642
  464   2HE2  GLN  59          2HE2      GLN  59  -3.608 -11.238  -2.963
  465    H    ILE  60           H        ILE  60  -6.958  -8.562  -4.307
  466    HA   ILE  60           HA       ILE  60  -9.576  -8.818  -3.102
  467    HB   ILE  60           HB       ILE  60  -7.310  -9.126  -1.567
  468   1HG1  ILE  60          1HG1      ILE  60 -10.208  -9.190  -1.339
  469   2HG1  ILE  60          2HG1      ILE  60  -8.988 -10.193  -0.621
  470   1HG2  ILE  60          1HG2      ILE  60  -7.304  -6.511  -1.742
  471   2HG2  ILE  60          2HG2      ILE  60  -8.418  -6.716  -0.352
  472   3HG2  ILE  60          3HG2      ILE  60  -6.770  -7.375  -0.310
  473   1HD1  ILE  60           HD2      ILE  60  -8.649  -8.232   1.143
  474   2HD1  ILE  60           HD3      ILE  60 -10.078  -7.559   0.475
  475   3HD1  ILE  60           HD1      ILE  60 -10.152  -9.176   1.175
  476    H    ALA  61           H        ALA  61  -8.155  -7.490  -5.405
  477    HA   ALA  61           HA       ALA  61  -7.837  -4.771  -5.248
  478   1HB   ALA  61           HB2      ALA  61  -8.407  -6.822  -7.334
  479   2HB   ALA  61           HB3      ALA  61  -8.777  -5.138  -7.804
  480   3HB   ALA  61           HB1      ALA  61  -7.141  -5.596  -7.263
  481    H    TYR  62           H        TYR  62 -10.842  -6.690  -5.531
  482    HA   TYR  62           HA       TYR  62 -12.653  -5.202  -6.753
  483   1HB   TYR  62           HB1      TYR  62 -14.356  -6.381  -5.468
  484   2HB   TYR  62           HB2      TYR  62 -13.014  -7.418  -5.975
  485    HD1  TYR  62           HD1      TYR  62 -11.039  -6.476  -3.677
  486    HD2  TYR  62           HD2      TYR  62 -15.269  -6.938  -3.462
  487    HE1  TYR  62           HE1      TYR  62 -10.821  -7.387  -1.360
  488    HE2  TYR  62           HE2      TYR  62 -15.018  -8.315  -1.344
  489    HH   TYR  62           HH       TYR  62 -13.615  -9.236   0.089
  490    H    MET  63           H        MET  63 -11.301  -4.573  -3.536
  491    HA   MET  63           HA       MET  63 -13.479  -3.415  -2.290
  492   1HB   MET  63           HB1      MET  63 -10.510  -3.464  -1.853
  493   2HB   MET  63           HB2      MET  63 -11.560  -2.604  -0.676
  494   1HG   MET  63           HG1      MET  63 -11.081  -5.470  -1.235
  495   2HG   MET  63           HG2      MET  63 -11.473  -4.764   0.304
  496   1HE   MET  63           HE2      MET  63 -13.533  -5.321   1.547
  497   2HE   MET  63           HE3      MET  63 -14.773  -6.396   0.908
  498   3HE   MET  63           HE1      MET  63 -13.053  -6.909   0.872
  499    H    LEU  64           H        LEU  64 -11.280  -2.297  -4.613
  500    HA   LEU  64           HA       LEU  64 -10.243   0.032  -3.842
  501   1HB   LEU  64           HB1      LEU  64  -9.773  -1.428  -5.863
  502   2HB   LEU  64           HB2      LEU  64 -11.214  -0.772  -6.669
  503    HG   LEU  64           HG       LEU  64  -8.629   0.029  -6.997
  504   1HD1  LEU  64          3HD1      LEU  64 -11.076   1.421  -7.826
  505   2HD1  LEU  64          1HD1      LEU  64  -9.420   1.796  -8.358
  506   3HD1  LEU  64          2HD1      LEU  64 -10.168   0.264  -8.767
  507   1HD2  LEU  64          2HD2      LEU  64  -8.780   1.186  -4.736
  508   2HD2  LEU  64          3HD2      LEU  64  -8.440   2.337  -5.978
  509   3HD2  LEU  64          1HD2      LEU  64 -10.099   2.173  -5.405
  510    HA   PRO  65           HA       PRO  65 -14.088   2.449  -5.354
  511   1HB   PRO  65           HB1      PRO  65 -16.418   1.263  -6.061
  512   2HB   PRO  65           HB2      PRO  65 -15.023   1.307  -7.145
  513   1HG   PRO  65           HG1      PRO  65 -15.885  -1.006  -5.297
  514   2HG   PRO  65           HG2      PRO  65 -15.447  -1.028  -7.010
  515   1HD   PRO  65           HD2      PRO  65 -13.555  -1.566  -5.048
  516   2HD   PRO  65           HD1      PRO  65 -13.103  -0.838  -6.591
  517    H    GLU  66           H        GLU  66 -14.750  -0.133  -3.106
  518    HA   GLU  66           HA       GLU  66 -16.374   1.428  -1.322
  519   1HB   GLU  66           HB1      GLU  66 -16.660  -0.596  -0.455
  520   2HB   GLU  66           HB2      GLU  66 -15.350  -1.276  -1.442
  521   1HG   GLU  66           HG1      GLU  66 -13.695  -0.567   0.292
  522   2HG   GLU  66           HG2      GLU  66 -15.024   0.017   1.288
  523    H    ILE  67           H        ILE  67 -12.827   0.586  -1.625
  524    HA   ILE  67           HA       ILE  67 -11.892   1.745   0.650
  525    HB   ILE  67           HB       ILE  67 -10.276   1.426  -1.850
  526   1HG1  ILE  67          1HG1      ILE  67 -11.459  -0.637  -0.120
  527   2HG1  ILE  67          2HG1      ILE  67 -10.302  -0.803  -1.457
  528   1HG2  ILE  67          3HG2      ILE  67  -9.348   3.059  -0.405
  529   2HG2  ILE  67          1HG2      ILE  67  -9.323   1.844   0.901
  530   3HG2  ILE  67          2HG2      ILE  67  -8.414   1.630  -0.631
  531   1HD1  ILE  67           HD2      ILE  67  -9.071  -0.268   1.244
  532   2HD1  ILE  67           HD3      ILE  67  -9.873  -1.763   0.924
  533   3HD1  ILE  67           HD1      ILE  67  -8.609  -1.181  -0.192
  534    H    GLN  68           H        GLN  68 -12.281   3.116  -2.687
  535    HA   GLN  68           HA       GLN  68 -10.768   5.543  -1.975
  536   1HB   GLN  68           HB1      GLN  68  -9.569   5.070  -3.828
  537   2HB   GLN  68           HB2      GLN  68 -10.537   3.589  -4.097
  538   1HG   GLN  68           HG1      GLN  68 -10.883   4.610  -6.128
  539   2HG   GLN  68           HG2      GLN  68 -12.230   5.336  -5.235
  540   1HE2  GLN  68          1HE2      GLN  68  -9.525   8.162  -4.893
  541   2HE2  GLN  68          2HE2      GLN  68 -10.339   7.178  -3.642
  542    H    ARG  69           H        ARG  69 -13.960   4.370  -2.340
  543    HA   ARG  69           HA       ARG  69 -15.143   6.964  -3.001
  544   1HB   ARG  69           HB1      ARG  69 -16.502   5.124  -3.546
  545   2HB   ARG  69           HB2      ARG  69 -16.042   4.292  -2.017
  546   1HG   ARG  69           HG1      ARG  69 -17.481   6.879  -1.658
  547   2HG   ARG  69           HG2      ARG  69 -18.490   5.544  -2.336
  548   1HD   ARG  69           HD1      ARG  69 -16.887   4.436  -0.195
  549   2HD   ARG  69           HD2      ARG  69 -17.663   5.938   0.375
  550    HE   ARG  69           HE       ARG  69 -18.963   3.481  -0.314
  551   1HH1  ARG  69          2HH1      ARG  69 -19.332   6.855  -0.086
  552   2HH1  ARG  69          1HH1      ARG  69 -21.226   6.722   0.064
  553   1HH2  ARG  69          2HH2      ARG  69 -21.089   3.433  -0.067
  554   2HH2  ARG  69          1HH2      ARG  69 -22.096   5.037  -0.078
  555    H    LEU  70           H        LEU  70 -13.839   5.096  -0.343
  556    HA   LEU  70           HA       LEU  70 -15.039   6.616   1.789
  557   1HB   LEU  70           HB1      LEU  70 -14.335   4.050   1.644
  558   2HB   LEU  70           HB2      LEU  70 -12.669   4.593   1.755
  559    HG   LEU  70           HG       LEU  70 -12.898   5.225   4.028
  560   1HD1  LEU  70          3HD1      LEU  70 -15.536   5.796   3.592
  561   2HD1  LEU  70          1HD1      LEU  70 -15.437   4.520   4.811
  562   3HD1  LEU  70          2HD1      LEU  70 -14.589   6.057   5.062
  563   1HD2  LEU  70          2HD2      LEU  70 -12.716   2.732   3.526
  564   2HD2  LEU  70          3HD2      LEU  70 -13.512   3.021   5.051
  565   3HD2  LEU  70          1HD2      LEU  70 -14.486   2.651   3.662
  566    H    LEU  71           H        LEU  71 -11.546   5.940   0.878
  567    HA   LEU  71           HA       LEU  71 -10.672   8.605   1.515
  568   1HB   LEU  71           HB1      LEU  71  -9.443   6.028   0.313
  569   2HB   LEU  71           HB2      LEU  71  -8.431   7.436   0.724
  570    HG   LEU  71           HG       LEU  71  -8.837   7.119   3.062
  571   1HD1  LEU  71          1HD1      LEU  71 -11.159   6.460   2.886
  572   2HD1  LEU  71          2HD1      LEU  71 -10.674   4.780   2.780
  573   3HD1  LEU  71          3HD1      LEU  71 -10.152   5.708   4.168
  574   1HD2  LEU  71          2HD2      LEU  71  -8.025   4.630   1.496
  575   2HD2  LEU  71          3HD2      LEU  71  -6.967   5.628   2.458
  576   3HD2  LEU  71          1HD2      LEU  71  -8.137   4.616   3.284
  577    HA   PRO  72           HA       PRO  72 -11.363   9.320  -3.004
  578   1HB   PRO  72           HB1      PRO  72 -12.736  11.587  -2.970
  579   2HB   PRO  72           HB2      PRO  72 -13.510  10.034  -2.647
  580   1HG   PRO  72           HG1      PRO  72 -12.497  12.064  -0.594
  581   2HG   PRO  72           HG2      PRO  72 -14.106  11.265  -0.607
  582   1HD   PRO  72           HD2      PRO  72 -11.939  10.221   0.915
  583   2HD   PRO  72           HD1      PRO  72 -13.164   9.169   0.172
  584    H    ASN  73           H        ASN  73  -9.479  10.741  -0.687
  585    HA   ASN  73           HA       ASN  73  -8.949  13.305  -2.050
  586   1HB   ASN  73           HB1      ASN  73  -9.413  12.485   0.693
  587   2HB   ASN  73           HB2      ASN  73  -7.840  13.329   0.536
  588   1HD2  ASN  73          1HD2      ASN  73 -11.380  15.347   0.421
  589   2HD2  ASN  73          2HD2      ASN  73 -11.280  13.599   0.801
  590    H    LYS  74           H        LYS  74  -7.561  10.172  -1.421
  591    HA   LYS  74           HA       LYS  74  -4.796  11.182  -1.320
  592   1HB   LYS  74           HB1      LYS  74  -5.840   8.907   0.361
  593   2HB   LYS  74           HB2      LYS  74  -4.225   9.653   0.418
  594   1HG   LYS  74           HG1      LYS  74  -6.044  11.836   0.725
  595   2HG   LYS  74           HG2      LYS  74  -6.711  10.534   1.725
  596   1HD   LYS  74           HD1      LYS  74  -3.998  10.516   2.450
  597   2HD   LYS  74           HD2      LYS  74  -4.406  12.220   2.239
  598   1HE   LYS  74           HE1      LYS  74  -6.292  10.367   3.743
  599   2HE   LYS  74           HE2      LYS  74  -4.901  11.154   4.586
  600   1HZ   LYS  74           HZ1      LYS  74  -5.777  13.310   3.723
  601   2HZ   LYS  74           HZ2      LYS  74  -7.170  12.494   3.148
  602   3HZ   LYS  74           HZ3      LYS  74  -6.799  12.500   4.836
  603    HA   PRO  75           HA       PRO  75  -3.795   8.083  -4.216
  604   1HB   PRO  75           HB1      PRO  75  -1.092   7.583  -3.619
  605   2HB   PRO  75           HB2      PRO  75  -1.710   9.009  -4.508
  606   1HG   PRO  75           HG1      PRO  75  -0.975   8.707  -1.554
  607   2HG   PRO  75           HG2      PRO  75  -0.703  10.133  -2.574
  608   1HD   PRO  75           HD2      PRO  75  -2.812  10.005  -0.759
  609   2HD   PRO  75           HD1      PRO  75  -2.960  10.906  -2.255
  610    H    VAL  76           H        VAL  76  -5.317   6.753  -3.164
  611    HA   VAL  76           HA       VAL  76  -4.443   4.256  -2.045
  612    HB   VAL  76           HB       VAL  76  -7.085   4.782  -3.393
  613   1HG1  VAL  76          1HG1      VAL  76  -6.081   2.546  -2.059
  614   2HG1  VAL  76          2HG1      VAL  76  -7.539   3.196  -1.213
  615   3HG1  VAL  76          3HG1      VAL  76  -7.623   2.731  -2.863
  616   1HG2  VAL  76          3HG2      VAL  76  -6.003   6.348  -1.289
  617   2HG2  VAL  76          1HG2      VAL  76  -7.673   6.255  -1.815
  618   3HG2  VAL  76          2HG2      VAL  76  -7.128   5.235  -0.483
  619    H    GLU  77           H        GLU  77  -4.461   2.220  -3.103
  620    HA   GLU  77           HA       GLU  77  -4.717   1.820  -5.950
  621   1HB   GLU  77           HB1      GLU  77  -1.827   1.988  -4.959
  622   2HB   GLU  77           HB2      GLU  77  -2.382   1.218  -6.464
  623   1HG   GLU  77           HG1      GLU  77  -2.964   4.111  -5.779
  624   2HG   GLU  77           HG2      GLU  77  -1.504   3.565  -6.686
  625    H    VAL  78           H        VAL  78  -4.331  -0.390  -6.583
  626    HA   VAL  78           HA       VAL  78  -4.159  -2.344  -4.395
  627    HB   VAL  78           HB       VAL  78  -5.508  -3.784  -5.725
  628   1HG1  VAL  78          3HG1      VAL  78  -6.801  -1.228  -5.038
  629   2HG1  VAL  78          1HG1      VAL  78  -7.576  -2.319  -6.146
  630   3HG1  VAL  78          2HG1      VAL  78  -7.098  -2.887  -4.522
  631   1HG2  VAL  78          2HG2      VAL  78  -4.849  -1.919  -7.976
  632   2HG2  VAL  78          3HG2      VAL  78  -5.335  -3.589  -8.005
  633   3HG2  VAL  78          1HG2      VAL  78  -6.556  -2.340  -7.834
  634    H    ILE  79           H        ILE  79  -2.843  -4.284  -4.945
  635    HA   ILE  79           HA       ILE  79  -0.303  -3.421  -6.109
  636    HB   ILE  79           HB       ILE  79  -0.582  -5.979  -4.747
  637   1HG1  ILE  79          1HG1      ILE  79   0.035  -3.526  -3.148
  638   2HG1  ILE  79          2HG1      ILE  79  -1.673  -3.973  -3.418
  639   1HG2  ILE  79          1HG2      ILE  79   1.614  -4.137  -5.090
  640   2HG2  ILE  79          2HG2      ILE  79   1.613  -5.609  -4.042
  641   3HG2  ILE  79          3HG2      ILE  79   1.462  -5.791  -5.773
  642   1HD1  ILE  79           HD3      ILE  79  -0.761  -6.299  -2.555
  643   2HD1  ILE  79           HD1      ILE  79   0.387  -5.140  -1.732
  644   3HD1  ILE  79           HD2      ILE  79  -1.366  -5.100  -1.465
  645    H    ASP  80           H        ASP  80   0.840  -4.721  -7.636
  646    HA   ASP  80           HA       ASP  80  -0.332  -6.617  -9.409
  647   1HB   ASP  80           HB1      ASP  80   2.334  -5.430  -8.774
  648   2HB   ASP  80           HB2      ASP  80   2.303  -7.097  -9.509
  649    H    SER  81           H        SER  81   0.543  -8.867  -9.498
  650    HA   SER  81           HA       SER  81  -0.154 -10.013  -6.874
  651   1HB   SER  81           HB1      SER  81  -1.914 -10.261  -8.495
  652   2HB   SER  81           HB2      SER  81  -0.771 -10.683  -9.796
  653    HG   SER  81           HG       SER  81  -2.053 -12.489  -8.877
  654    H    LEU  82           H        LEU  82   2.177 -10.154  -9.493
  655    HA   LEU  82           HA       LEU  82   3.923 -12.084  -8.341
  656   1HB   LEU  82           HB1      LEU  82   3.795 -10.016 -10.444
  657   2HB   LEU  82           HB2      LEU  82   5.400 -10.054  -9.675
  658    HG   LEU  82           HG       LEU  82   4.452 -12.724 -10.370
  659   1HD1  LEU  82          3HD1      LEU  82   3.128 -11.292 -11.867
  660   2HD1  LEU  82          1HD1      LEU  82   4.608 -11.382 -12.913
  661   3HD1  LEU  82          2HD1      LEU  82   3.778 -12.842 -12.382
  662   1HD2  LEU  82          2HD2      LEU  82   6.976 -11.100 -10.976
  663   2HD2  LEU  82          3HD2      LEU  82   6.775 -12.556  -9.977
  664   3HD2  LEU  82          1HD2      LEU  82   6.634 -12.650 -11.740
  665    H    LEU  83           H        LEU  83   4.215  -8.417  -8.524
  666    HA   LEU  83           HA       LEU  83   6.394  -8.146  -6.969
  667   1HB   LEU  83           HB1      LEU  83   3.902  -6.269  -7.037
  668   2HB   LEU  83           HB2      LEU  83   5.553  -5.720  -6.789
  669    HG   LEU  83           HG       LEU  83   4.156  -6.660  -9.289
  670   1HD1  LEU  83          2HD1      LEU  83   4.236  -4.099  -8.410
  671   2HD1  LEU  83          3HD1      LEU  83   5.581  -4.181  -9.501
  672   3HD1  LEU  83          1HD1      LEU  83   3.965  -4.763 -10.008
  673   1HD2  LEU  83          3HD2      LEU  83   6.984  -7.159  -8.707
  674   2HD2  LEU  83          1HD2      LEU  83   6.090  -7.425 -10.166
  675   3HD2  LEU  83          2HD2      LEU  83   6.881  -5.835  -9.876
  676    H    TYR  84           H        TYR  84   3.035  -8.738  -6.117
  677    HA   TYR  84           HA       TYR  84   3.052  -8.156  -3.337
  678   1HB   TYR  84           HB1      TYR  84   1.090  -7.972  -4.761
  679   2HB   TYR  84           HB2      TYR  84   1.097  -9.720  -5.084
  680    HD1  TYR  84           HD1      TYR  84   1.028  -7.218  -2.271
  681    HD2  TYR  84           HD2      TYR  84  -0.540 -10.865  -3.915
  682    HE1  TYR  84           HE1      TYR  84   0.258  -7.875   0.053
  683    HE2  TYR  84           HE2      TYR  84  -1.644 -11.392  -1.690
  684    HH   TYR  84           HH       TYR  84  -1.760 -10.846   0.415
  685    H    GLY  85           H        GLY  85   2.426 -11.283  -5.037
  686   1HA   GLY  85           HA1      GLY  85   3.078 -12.906  -2.667
  687   2HA   GLY  85           HA2      GLY  85   2.386 -13.400  -4.217
  688    H    LYS  86           H        LYS  86   5.079 -11.498  -5.033
  689    HA   LYS  86           HA       LYS  86   7.004 -13.701  -4.649
  690   1HB   LYS  86           HB1      LYS  86   6.854 -11.886  -7.075
  691   2HB   LYS  86           HB2      LYS  86   8.110 -13.109  -6.675
  692   1HG   LYS  86           HG1      LYS  86   5.790 -14.584  -6.390
  693   2HG   LYS  86           HG2      LYS  86   5.261 -13.404  -7.615
  694   1HD   LYS  86           HD1      LYS  86   6.317 -14.662  -9.210
  695   2HD   LYS  86           HD2      LYS  86   7.851 -14.435  -8.376
  696   1HE   LYS  86           HE1      LYS  86   6.077 -16.381  -6.925
  697   2HE   LYS  86           HE2      LYS  86   6.470 -16.882  -8.585
  698   1HZ   LYS  86           HZ1      LYS  86   8.827 -16.403  -8.063
  699   2HZ   LYS  86           HZ2      LYS  86   8.372 -16.042  -6.463
  700   3HZ   LYS  86           HZ3      LYS  86   8.156 -17.631  -7.060
  701    H    VAL  87           H        VAL  87   6.135 -10.512  -3.851
  702    HA   VAL  87           HA       VAL  87   6.855  -9.245  -2.235
  703    HB   VAL  87           HB       VAL  87   7.600 -11.923  -1.760
  704   1HG1  VAL  87          2HG1      VAL  87   9.920 -10.323  -0.839
  705   2HG1  VAL  87          3HG1      VAL  87   9.349 -11.660   0.067
  706   3HG1  VAL  87          1HG1      VAL  87   9.732 -11.892  -1.660
  707   1HG2  VAL  87          3HG2      VAL  87   5.849 -10.527  -0.615
  708   2HG2  VAL  87          1HG2      VAL  87   6.929 -11.446   0.447
  709   3HG2  VAL  87          2HG2      VAL  87   7.105  -9.694   0.293
  710    H    ASP  88           H        ASP  88   7.601  -7.843  -3.941
  711    HA   ASP  88           HA       ASP  88  10.448  -7.048  -3.517
  712   1HB   ASP  88           HB1      ASP  88   8.645  -6.586  -5.913
  713   2HB   ASP  88           HB2      ASP  88  10.190  -5.766  -5.678
  714    H    GLY  89           H        GLY  89   9.627  -5.985  -1.443
  715   1HA   GLY  89           HA1      GLY  89   8.536  -3.759  -0.812
  716   2HA   GLY  89           HA2      GLY  89  10.295  -3.782  -0.801
  717    H    LEU  90           H        LEU  90  11.340  -3.333  -3.005
  718    HA   LEU  90           HA       LEU  90  11.259  -0.608  -3.355
  719   1HB   LEU  90           HB1      LEU  90  12.846  -2.626  -3.961
  720   2HB   LEU  90           HB2      LEU  90  11.953  -2.655  -5.493
  721    HG   LEU  90           HG       LEU  90  14.208  -0.990  -4.668
  722   1HD1  LEU  90          3HD1      LEU  90  14.353  -2.385  -6.513
  723   2HD1  LEU  90          1HD1      LEU  90  13.103  -1.410  -7.355
  724   3HD1  LEU  90          2HD1      LEU  90  14.681  -0.719  -6.980
  725   1HD2  LEU  90          1HD2      LEU  90  11.705   0.370  -5.612
  726   2HD2  LEU  90          2HD2      LEU  90  12.801   0.884  -4.292
  727   3HD2  LEU  90          3HD2      LEU  90  13.250   1.055  -5.981
  728    H    GLY  91           H        GLY  91  10.093  -3.044  -5.866
  729   1HA   GLY  91           HA1      GLY  91   8.616  -1.615  -7.557
  730   2HA   GLY  91           HA2      GLY  91   8.108  -3.208  -6.943
  731    H    VAL  92           H        VAL  92   7.465  -2.479  -4.212
  732    HA   VAL  92           HA       VAL  92   4.892  -1.563  -4.588
  733    HB   VAL  92           HB       VAL  92   6.239  -2.069  -1.974
  734   1HG1  VAL  92          2HG1      VAL  92   4.198  -0.723  -1.800
  735   2HG1  VAL  92          3HG1      VAL  92   3.283  -2.059  -2.507
  736   3HG1  VAL  92          1HG1      VAL  92   4.242  -2.340  -1.023
  737   1HG2  VAL  92          3HG2      VAL  92   4.880  -3.795  -4.053
  738   2HG2  VAL  92          1HG2      VAL  92   6.412  -4.096  -3.235
  739   3HG2  VAL  92          2HG2      VAL  92   4.865  -4.298  -2.363
  740    H    LEU  93           H        LEU  93   7.866  -0.002  -3.157
  741    HA   LEU  93           HA       LEU  93   6.729   2.486  -2.407
  742   1HB   LEU  93           HB1      LEU  93   8.872   2.417  -1.459
  743   2HB   LEU  93           HB2      LEU  93   9.332   1.086  -2.565
  744    HG   LEU  93           HG       LEU  93   9.963   2.877  -4.218
  745   1HD1  LEU  93          3HD1      LEU  93   8.437   4.564  -3.158
  746   2HD1  LEU  93          1HD1      LEU  93   9.950   4.956  -2.221
  747   3HD1  LEU  93          2HD1      LEU  93   9.875   5.094  -3.963
  748   1HD2  LEU  93          3HD2      LEU  93  11.336   2.850  -1.454
  749   2HD2  LEU  93          1HD2      LEU  93  11.727   1.839  -2.854
  750   3HD2  LEU  93          2HD2      LEU  93  12.036   3.592  -2.849
  751    H    LYS  94           H        LYS  94   8.745   1.474  -5.357
  752    HA   LYS  94           HA       LYS  94   8.742   3.799  -6.700
  753   1HB   LYS  94           HB1      LYS  94   8.883   0.963  -7.530
  754   2HB   LYS  94           HB2      LYS  94   8.481   2.126  -8.823
  755   1HG   LYS  94           HG1      LYS  94  10.833   2.405  -6.912
  756   2HG   LYS  94           HG2      LYS  94  10.940   1.847  -8.594
  757   1HD   LYS  94           HD1      LYS  94  10.938   3.906  -9.431
  758   2HD   LYS  94           HD2      LYS  94   9.597   4.427  -8.366
  759   1HE   LYS  94           HE1      LYS  94  12.402   3.923  -7.243
  760   2HE   LYS  94           HE2      LYS  94  11.997   5.501  -7.949
  761   1HZ   LYS  94           HZ1      LYS  94  10.074   5.579  -6.434
  762   2HZ   LYS  94           HZ2      LYS  94  10.678   4.152  -5.677
  763   3HZ   LYS  94           HZ3      LYS  94  11.583   5.630  -5.663
  764    H    ALA  95           H        ALA  95   6.255   1.262  -7.154
  765    HA   ALA  95           HA       ALA  95   4.550   2.431  -8.907
  766   1HB   ALA  95           HB2      ALA  95   4.204   0.420  -6.691
  767   2HB   ALA  95           HB3      ALA  95   2.737   1.059  -7.383
  768   3HB   ALA  95           HB1      ALA  95   3.896   0.247  -8.434
  769    H    ALA  96           H        ALA  96   4.474   2.832  -5.298
  770    HA   ALA  96           HA       ALA  96   2.052   4.186  -5.054
  771   1HB   ALA  96           HB1      ALA  96   4.218   3.307  -3.314
  772   2HB   ALA  96           HB2      ALA  96   3.668   4.918  -2.876
  773   3HB   ALA  96           HB3      ALA  96   2.532   3.584  -2.909
  774    H    VAL  97           H        VAL  97   5.360   5.219  -5.691
  775    HA   VAL  97           HA       VAL  97   5.046   8.044  -5.319
  776    HB   VAL  97           HB       VAL  97   7.125   6.529  -6.906
  777   1HG1  VAL  97          3HG1      VAL  97   6.808   9.247  -7.208
  778   2HG1  VAL  97          1HG1      VAL  97   7.797   9.091  -5.756
  779   3HG1  VAL  97          2HG1      VAL  97   8.301   8.387  -7.298
  780   1HG2  VAL  97          2HG2      VAL  97   6.832   7.161  -3.991
  781   2HG2  VAL  97          3HG2      VAL  97   7.537   5.747  -4.792
  782   3HG2  VAL  97          1HG2      VAL  97   8.431   7.293  -4.750
  783    H    ALA  98           H        ALA  98   4.844   5.797  -8.122
  784    HA   ALA  98           HA       ALA  98   4.302   7.530 -10.246
  785   1HB   ALA  98           HB2      ALA  98   4.682   4.875  -9.998
  786   2HB   ALA  98           HB3      ALA  98   2.932   4.910 -10.300
  787   3HB   ALA  98           HB1      ALA  98   4.037   5.641 -11.450
  788    H    ALA  99           H        ALA  99   2.153   5.919  -7.920
  789    HA   ALA  99           HA       ALA  99  -0.389   6.643  -8.862
  790   1HB   ALA  99           HB1      ALA  99   0.786   5.839  -6.230
  791   2HB   ALA  99           HB2      ALA  99  -0.808   6.584  -6.167
  792   3HB   ALA  99           HB3      ALA  99  -0.578   5.136  -7.135
  793    H    ILE 100           H        ILE 100   1.807   8.394  -6.621
  794    HA   ILE 100           HA       ILE 100   0.118  10.360  -5.667
  795    HB   ILE 100           HB       ILE 100   2.899   9.693  -5.437
  796   1HG1  ILE 100          1HG1      ILE 100   1.052  11.281  -3.606
  797   2HG1  ILE 100          2HG1      ILE 100   1.165   9.503  -3.664
  798   1HG2  ILE 100          1HG2      ILE 100   2.379  12.541  -5.830
  799   2HG2  ILE 100          2HG2      ILE 100   3.655  11.970  -4.726
  800   3HG2  ILE 100          3HG2      ILE 100   3.709  11.562  -6.428
  801   1HD1  ILE 100           HD1      ILE 100   3.687  10.003  -3.335
  802   2HD1  ILE 100           HD2      ILE 100   3.180  11.436  -2.433
  803   3HD1  ILE 100           HD3      ILE 100   2.581   9.896  -1.910
  804    H    LYS 101           H        LYS 101   2.867  10.763  -7.938
  805    HA   LYS 101           HA       LYS 101   1.895  13.273  -8.886
  806   1HB   LYS 101           HB1      LYS 101   4.101  13.508  -9.104
  807   2HB   LYS 101           HB2      LYS 101   4.408  11.781  -9.136
  808   1HG   LYS 101           HG1      LYS 101   3.251  13.177 -11.623
  809   2HG   LYS 101           HG2      LYS 101   4.981  13.274 -11.277
  810   1HD   LYS 101           HD1      LYS 101   5.424  11.094 -11.766
  811   2HD   LYS 101           HD2      LYS 101   3.771  10.526 -11.349
  812   1HE   LYS 101           HE1      LYS 101   2.869  11.787 -13.370
  813   2HE   LYS 101           HE2      LYS 101   4.573  12.127 -13.824
  814   1HZ   LYS 101           HZ1      LYS 101   4.937   9.725 -13.786
  815   2HZ   LYS 101           HZ2      LYS 101   3.279   9.465 -13.498
  816   3HZ   LYS 101           HZ3      LYS 101   3.809  10.209 -14.962
  817    H    LYS 102           H        LYS 102   0.851  10.156  -9.647
  818    HA   LYS 102           HA       LYS 102   0.040  10.804 -12.394
  819   1HB   LYS 102           HB1      LYS 102   0.688   8.525 -11.771
  820   2HB   LYS 102           HB2      LYS 102  -0.733   8.409 -10.699
  821   1HG   LYS 102           HG1      LYS 102  -2.185   8.970 -12.704
  822   2HG   LYS 102           HG2      LYS 102  -0.729   8.873 -13.719
  823   1HD   LYS 102           HD1      LYS 102  -1.498   6.732 -14.017
  824   2HD   LYS 102           HD2      LYS 102  -0.577   6.464 -12.516
  825   1HE   LYS 102           HE1      LYS 102  -2.470   6.408 -11.172
  826   2HE   LYS 102           HE2      LYS 102  -3.424   7.436 -12.254
  827   1HZ   LYS 102           HZ1      LYS 102  -3.388   5.578 -13.854
  828   2HZ   LYS 102           HZ2      LYS 102  -2.648   4.617 -12.660
  829   3HZ   LYS 102           HZ3      LYS 102  -4.230   5.208 -12.387
  830    H    ALA 103           H        ALA 103  -1.212  10.958  -9.108
  831    HA   ALA 103           HA       ALA 103  -3.940  10.988  -9.343
  832   1HB   ALA 103           HB2      ALA 103  -2.026  12.365  -7.490
  833   2HB   ALA 103           HB3      ALA 103  -3.730  12.838  -7.465
  834   3HB   ALA 103           HB1      ALA 103  -3.273  11.172  -7.134
  835    H    ALA 104           H        ALA 104  -1.661  13.708  -9.828
  836    HA   ALA 104           HA       ALA 104  -2.611  15.157 -11.726
  837   1HB   ALA 104           HB2      ALA 104  -4.592  15.394  -9.476
  838   2HB   ALA 104           HB3      ALA 104  -4.095  16.925 -10.177
  839   3HB   ALA 104           HB1      ALA 104  -4.786  15.699 -11.233
  840    H    ALA 105           H        ALA 105  -1.999  17.486 -11.727
  841    HA   ALA 105           HA       ALA 105  -1.206  19.444 -10.996
  842   1HB   ALA 105           HB3      ALA 105  -1.194  17.959  -8.374
  843   2HB   ALA 105           HB1      ALA 105  -0.260  19.451  -8.478
  844   3HB   ALA 105           HB2      ALA 105  -1.994  19.474  -8.809
  845    H    ASN 106           H        ASN 106   0.542  19.277 -12.487
  846    HA   ASN 106           HA       ASN 106   3.129  19.403 -11.259
  847   1HB   ASN 106           HB1      ASN 106   3.850  17.845 -13.424
  848   2HB   ASN 106           HB2      ASN 106   3.754  17.267 -11.755
  849   1HD2  ASN 106          1HD2      ASN 106   1.567  14.763 -12.907
  850   2HD2  ASN 106          2HD2      ASN 106   3.078  15.135 -12.088
   
  No H/Q in entry =         850