*HEADER    GENE REGULATION                         12-JUL-00   1E4U
*TITLE     N-TERMINAL RING FINGER DOMAIN OF HUMAN NOT-4
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: TRANSCRIPTIONAL REPRESSOR NOT4;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: RING FINGER DOMAIN;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN;
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI
*KEYWDS     TRANSCRIPTIONAL CONTROL
*EXPDTA    NMR, 30 STRUCTURES
*AUTHOR    H.HANZAWA,M.J.DE RUWE,T.K.ALBERT,P.C.VAN DER VLIET,H.TH
*AUTHOR   2 M.TIMMERS,R.BOELENS






assign ( resid   9 and name    HA ) ( resid  10 and name    HN ) 2.00 3.0 1.0  
 assign ( resid   9 and name   HB1 ) ( resid  10 and name    HN ) 3.46 3.0 1.0  
 assign ( resid  11 and name    HA ) ( resid  12 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  11 and name   HB# ) ( resid  12 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  12 and name    HA ) ( resid  13 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  12 and name    HA ) ( resid  13 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  12 and name  HG2# ) ( resid  13 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  12 and name   HG# ) ( resid  21 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  12 and name    HA ) ( resid  21 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  12 and name    HB ) ( resid  21 and name  HD1# ) 3.00 3.0 1.0  
 assign ( resid  12 and name  HG2# ) ( resid  21 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  12 and name  HG2# ) ( resid  21 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  12 and name  HG1# ) ( resid  21 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  12 and name  HG1# ) ( resid  21 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  12 and name  HG1# ) ( resid  21 and name  HD2# ) 4.00 3.0 1.0  
 assign ( resid  12 and name  HG1# ) ( resid  21 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  12 and name  HG1# ) ( resid  21 and name    HN ) 5.00 3.0 1.0  
 assign ( resid  12 and name    HN ) ( resid  21 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  12 and name    HB ) ( resid  26 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  12 and name    HB ) ( resid  26 and name  HG2# ) 4.00 3.0 1.0  
 assign ( resid  12 and name  HG2# ) ( resid  26 and name    HB ) 4.00 3.0 1.0  
 assign ( resid  13 and name    HA ) ( resid  14 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  13 and name   HB# ) ( resid  14 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  13 and name   HB# ) ( resid  18 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  13 and name    HA ) ( resid  21 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  14 and name    HA ) ( resid  15 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB1 ) ( resid  17 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB2 ) ( resid  18 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB1 ) ( resid  18 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  14 and name   HB2 ) ( resid  19 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB1 ) ( resid  19 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  14 and name    HN ) ( resid  19 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  14 and name    HA ) ( resid  21 and name  HD2# ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB2 ) ( resid  21 and name  HD2# ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB1 ) ( resid  21 and name  HD2# ) 4.00 3.0 1.0  
 assign ( resid  14 and name    HN ) ( resid  21 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  14 and name    HN ) ( resid  21 and name  HD2# ) 3.00 3.0 1.0  
 assign ( resid  14 and name    HN ) ( resid  21 and name  HD1# ) 5.00 3.0 1.0  
 assign ( resid  14 and name    HN ) ( resid  21 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  14 and name    HA ) ( resid  38 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB2 ) ( resid  38 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB2 ) ( resid  38 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  14 and name   HB1 ) ( resid  38 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  14 and name   HB1 ) ( resid  38 and name    HN ) 5.00 3.0 1.0  
 assign ( resid  15 and name    HA ) ( resid  16 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  15 and name   HD# ) ( resid  16 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  15 and name   HD# ) ( resid  37 and name  HG2# ) 3.00 3.0 1.0  
 assign ( resid  15 and name   HD# ) ( resid  38 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  16 and name    HA ) ( resid  17 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  16 and name   HB# ) ( resid  17 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  16 and name  HD2# ) ( resid  17 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  16 and name    HG ) ( resid  17 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  16 and name    HN ) ( resid  17 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  18 and name    HA ) ( resid  17 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  16 and name    HN ) ( resid  18 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  35 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  16 and name  HD2# ) ( resid  35 and name   HD# ) 2.00 3.0 1.0  
 assign ( resid  16 and name  HD2# ) ( resid  35 and name   HE# ) 2.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  37 and name  HG2# ) 4.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  37 and name    HB ) 4.00 3.0 1.0  
 assign ( resid  16 and name    HN ) ( resid  37 and name  HG2# ) 4.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  41 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  41 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  45 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  45 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  16 and name  HD1# ) ( resid  54 and name   HG# ) 4.00 3.0 1.0  
 assign ( resid  18 and name    HA ) ( resid  19 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  18 and name   HB# ) ( resid  19 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  18 and name   HG# ) ( resid  19 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  18 and name    HN ) ( resid  19 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  20 and name    HA ) ( resid  21 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  20 and name   HB# ) ( resid  21 and name    HN ) 2.57 3.0 1.0  
 assign ( resid  21 and name   HB# ) ( resid  22 and name    HN ) 3.46 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  22 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  21 and name    HG ) ( resid  22 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  21 and name   HB# ) ( resid  25 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  21 and name   HB# ) ( resid  25 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  25 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  25 and name   HB1 ) 2.00 3.0 1.0  
 assign ( resid  21 and name  HD1# ) ( resid  25 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD1# ) ( resid  25 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  26 and name    HA ) 2.00 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  26 and name  HG2# ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD1# ) ( resid  26 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD1# ) ( resid  26 and name  HG2# ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  38 and name    HA ) 2.00 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  38 and name   HB# ) 3.00 3.0 1.0  
 assign ( resid  21 and name  HD2# ) ( resid  38 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  21 and name  HD1# ) ( resid  38 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  22 and name    HA ) ( resid  23 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  22 and name   HB# ) ( resid  23 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  22 and name   HB# ) ( resid  24 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  22 and name    HN ) ( resid  25 and name   HB2 ) 3.00 3.0 1.0  
 assign ( resid  22 and name    HN ) ( resid  25 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  24 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  23 and name    HB ) ( resid  24 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  23 and name  HD1# ) ( resid  24 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  23 and name  HG2# ) ( resid  24 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  23 and name  HG2# ) ( resid  24 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  23 and name    HN ) ( resid  24 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  25 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  23 and name    HB ) ( resid  25 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  23 and name  HG2# ) ( resid  26 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  26 and name    HB ) 4.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  26 and name  HD1# ) 3.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  26 and name  HG2# ) 4.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  26 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  24 and name    HA ) ( resid  25 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  24 and name   HB# ) ( resid  25 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  24 and name    HN ) ( resid  25 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  24 and name    HN ) ( resid  26 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  25 and name   HB2 ) ( resid  26 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  25 and name   HB2 ) ( resid  26 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  25 and name   HB1 ) ( resid  26 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  25 and name   HB1 ) ( resid  26 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  25 and name    HN ) ( resid  26 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  25 and name    HA ) ( resid  28 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  25 and name    HA ) ( resid  28 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  26 and name    HA ) ( resid  27 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  26 and name    HB ) ( resid  27 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  26 and name  HG1# ) ( resid  27 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  26 and name  HG2# ) ( resid  27 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  26 and name  HG2# ) ( resid  27 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  26 and name  HG2# ) ( resid  27 and name  HD2# ) 4.00 3.0 1.0  
 assign ( resid  26 and name  HG2# ) ( resid  27 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  26 and name    HN ) ( resid  27 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  26 and name    HA ) ( resid  28 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  26 and name    HA ) ( resid  36 and name  HE2# ) 3.00 3.0 1.0  
 assign ( resid  26 and name  HG2# ) ( resid  36 and name  HE2# ) 4.00 3.0 1.0  
 assign ( resid  27 and name    HA ) ( resid  28 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  27 and name    HN ) ( resid  28 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  27 and name    HA ) ( resid  29 and name   HD# ) 3.00 3.0 1.0  
 assign ( resid  27 and name    HA ) ( resid  29 and name   HE# ) 2.00 3.0 1.0  
 assign ( resid  27 and name   HB1 ) ( resid  29 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  28 and name    HA ) ( resid  29 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  28 and name   HB2 ) ( resid  29 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HD# ) ( resid  29 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  28 and name   HD# ) ( resid  30 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  30 and name    HA ) 5.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  30 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  30 and name   HG# ) 4.00 3.0 1.0  
 assign ( resid  28 and name    HN ) ( resid  36 and name  HE2# ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  37 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HD# ) ( resid  39 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HD# ) ( resid  39 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HD# ) ( resid  39 and name   HD# ) 3.00 3.0 1.0  
 assign ( resid  28 and name   HD# ) ( resid  39 and name   HG# ) 3.00 3.0 1.0  
 assign ( resid  28 and name   HD# ) ( resid  39 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  39 and name    HA ) 3.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  39 and name   HG# ) 5.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  42 and name   HB2 ) 3.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  42 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  28 and name   HE# ) ( resid  42 and name   HE3 ) 5.00 3.0 1.0  
 assign ( resid  29 and name   HD# ) ( resid  34 and name   HA# ) 3.00 3.0 1.0  
 assign ( resid  29 and name   HD# ) ( resid  36 and name   HG# ) 3.00 3.0 1.0  
 assign ( resid  29 and name   HE# ) ( resid  36 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  29 and name   HE# ) ( resid  36 and name  HE2# ) 4.00 3.0 1.0  
 assign ( resid  29 and name   HE# ) ( resid  36 and name   HG# ) 4.00 3.0 1.0  
 assign ( resid  29 and name   HD# ) ( resid  61 and name   HD# ) 3.00 3.0 1.0  
 assign ( resid  30 and name   HD1 ) ( resid  36 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  30 and name   HB# ) ( resid  42 and name   HD1 ) 4.00 3.0 1.0  
 assign ( resid  30 and name   HB# ) ( resid  42 and name   HE1 ) 3.00 3.0 1.0  
 assign ( resid  30 and name   HB# ) ( resid  60 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  30 and name   HG# ) ( resid  60 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  31 and name    HA ) ( resid  32 and name  HG2* ) 4.00 3.0 1.0  
 assign ( resid  31 and name    HA ) ( resid  32 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  31 and name    HA ) ( resid  33 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  31 and name    HA ) ( resid  60 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  31 and name   HB1 ) ( resid  60 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  31 and name   HB2 ) ( resid  60 and name   HE# ) 3.00 3.0 1.0  
 assign ( resid  32 and name    HA ) ( resid  33 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  32 and name    HB ) ( resid  33 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  32 and name  HG2* ) ( resid  33 and name    HN ) 5.00 3.0 1.0  
 assign ( resid  32 and name    HN ) ( resid  33 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  32 and name    HA ) ( resid  34 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  33 and name   HB1 ) ( resid  34 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  33 and name    HN ) ( resid  34 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  33 and name    HN ) ( resid  35 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  34 and name   HA# ) ( resid  35 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  34 and name    HN ) ( resid  35 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  35 and name    HA ) ( resid  36 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  35 and name   HD# ) ( resid  36 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  35 and name   HD# ) ( resid  37 and name  HG2# ) 4.00 3.0 1.0  
 assign ( resid  35 and name   HD# ) ( resid  54 and name   HD# ) 3.00 3.0 1.0  
 assign ( resid  35 and name   HD# ) ( resid  54 and name   HG# ) 4.00 3.0 1.0  
 assign ( resid  35 and name   HE# ) ( resid  54 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  35 and name   HE# ) ( resid  54 and name   HD# ) 3.00 3.0 1.0  
 assign ( resid  35 and name   HE# ) ( resid  54 and name   HG# ) 2.56 3.0 1.0  
 assign ( resid  35 and name   HB2 ) ( resid  55 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  35 and name   HB1 ) ( resid  55 and name   HB# ) 2.00 3.0 1.0  
 assign ( resid  35 and name   HD# ) ( resid  55 and name   HB# ) 2.00 3.0 1.0  
 assign ( resid  35 and name   HD# ) ( resid  55 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  35 and name   HE# ) ( resid  55 and name   HB# ) 3.00 3.0 1.0  
 assign ( resid  35 and name    HN ) ( resid  55 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  36 and name    HA ) ( resid  37 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  36 and name   HB# ) ( resid  37 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  37 and name    HA ) ( resid  38 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  37 and name    HB ) ( resid  38 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  38 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  37 and name  HG2# ) ( resid  38 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  37 and name    HB ) ( resid  41 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  37 and name    HB ) ( resid  41 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  41 and name   HB2 ) 3.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  41 and name   HB1 ) 3.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  41 and name    HN ) 5.00 3.0 1.0  
 assign ( resid  37 and name  HG2# ) ( resid  41 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  37 and name  HG2# ) ( resid  41 and name   HB1 ) 3.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  42 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  42 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  42 and name   HB1 ) 3.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  42 and name   HD1 ) 4.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  42 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  37 and name  HD1# ) ( resid  45 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  37 and name  HG2# ) ( resid  54 and name   HG# ) 3.46 3.0 1.0  
 assign ( resid  38 and name    HA ) ( resid  39 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  38 and name   HB# ) ( resid  39 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  38 and name   HB# ) ( resid  39 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  38 and name   HB# ) ( resid  40 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  38 and name    HN ) ( resid  41 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  39 and name    HA ) ( resid  40 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  39 and name   HB1 ) ( resid  40 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  39 and name    HN ) ( resid  40 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  39 and name    HA ) ( resid  42 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  39 and name    HA ) ( resid  42 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  39 and name    HA ) ( resid  42 and name   HE3 ) 3.00 3.0 1.0  
 assign ( resid  39 and name    HA ) ( resid  42 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  39 and name   HB# ) ( resid  42 and name   HE3 ) 4.00 3.0 1.0  
 assign ( resid  39 and name   HG# ) ( resid  42 and name   HE3 ) 5.00 3.0 1.0  
 assign ( resid  39 and name    HA ) ( resid  43 and name   HD2 ) 4.00 3.0 1.0  
 assign ( resid  39 and name   HG# ) ( resid  43 and name   HD2 ) 4.00 3.0 1.0  
 assign ( resid  40 and name    HA ) ( resid  41 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  40 and name   HB# ) ( resid  41 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  40 and name    HN ) ( resid  41 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  40 and name    HA ) ( resid  43 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  40 and name    HA ) ( resid  43 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  41 and name    HA ) ( resid  42 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  41 and name   HB2 ) ( resid  42 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  41 and name    HN ) ( resid  42 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  41 and name    HA ) ( resid  44 and name   HB# ) 3.46 3.0 1.0  
 assign ( resid  41 and name    HA ) ( resid  44 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  42 and name    HA ) ( resid  43 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  42 and name   HB2 ) ( resid  43 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  42 and name   HB1 ) ( resid  43 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  42 and name   HE3 ) ( resid  43 and name    HA ) 3.00 3.0 1.0  
 assign ( resid  42 and name   HE3 ) ( resid  43 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  42 and name   HE3 ) ( resid  43 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  42 and name    HN ) ( resid  43 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  42 and name    HA ) ( resid  45 and name    HB ) 4.00 3.0 1.0  
 assign ( resid  42 and name    HA ) ( resid  45 and name  HD1# ) 4.00 3.0 1.0  
 assign ( resid  42 and name    HA ) ( resid  45 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  42 and name    HA ) ( resid  46 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  42 and name   HE1 ) ( resid  46 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  42 and name   HZ2 ) ( resid  46 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  42 and name   HD1 ) ( resid  60 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  42 and name   HE1 ) ( resid  60 and name    HA ) 5.00 3.0 1.0  
 assign ( resid  42 and name   HE1 ) ( resid  60 and name   HB2 ) 4.00 3.0 1.0  
 assign ( resid  42 and name   HE1 ) ( resid  60 and name   HB1 ) 3.00 3.0 1.0  
 assign ( resid  43 and name    HA ) ( resid  44 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  43 and name   HB# ) ( resid  44 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  43 and name    HN ) ( resid  44 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  43 and name    HA ) ( resid  46 and name   HB# ) 3.46 3.0 1.0  
 assign ( resid  43 and name    HA ) ( resid  46 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  44 and name    HA ) ( resid  45 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  44 and name   HB# ) ( resid  45 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  44 and name    HN ) ( resid  45 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  44 and name    HA ) ( resid  47 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  45 and name    HA ) ( resid  46 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  45 and name    HB ) ( resid  46 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  45 and name  HD1# ) ( resid  46 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  46 and name    HA ) 3.00 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  46 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  45 and name    HN ) ( resid  46 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  45 and name    HA ) ( resid  49 and name   HB# ) 4.00 3.0 1.0  
 assign ( resid  45 and name    HA ) ( resid  49 and name   HG# ) 4.00 3.0 1.0  
 assign ( resid  45 and name    HA ) ( resid  49 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  50 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  45 and name    HA ) ( resid  50 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  51 and name   HA# ) 2.57 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  51 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  52 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  45 and name  HD1# ) ( resid  54 and name   HD# ) 3.46 3.0 1.0  
 assign ( resid  45 and name  HD1# ) ( resid  54 and name   HG# ) 4.00 3.0 1.0  
 assign ( resid  45 and name    HB ) ( resid  60 and name   HE# ) 4.00 3.0 1.0  
 assign ( resid  45 and name  HD1# ) ( resid  60 and name   HE# ) 3.00 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  60 and name   HD# ) 3.00 3.0 1.0  
 assign ( resid  45 and name  HG2# ) ( resid  60 and name   HE# ) 2.00 3.0 1.0  
 assign ( resid  46 and name    HA ) ( resid  47 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  46 and name   HB# ) ( resid  47 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  46 and name    HA ) ( resid  51 and name   HA# ) 3.00 3.0 1.0  
 assign ( resid  46 and name    HA ) ( resid  51 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  46 and name   HD# ) ( resid  60 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  47 and name    HA ) ( resid  48 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  47 and name    HB ) ( resid  48 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  47 and name  HG2* ) ( resid  48 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  47 and name    HN ) ( resid  48 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  47 and name    HN ) ( resid  49 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  48 and name    HA ) ( resid  49 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  48 and name   HB# ) ( resid  49 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  48 and name    HN ) ( resid  49 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  49 and name    HA ) ( resid  50 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  49 and name   HB# ) ( resid  50 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  49 and name   HG# ) ( resid  50 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  49 and name    HN ) ( resid  50 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  50 and name    HA ) ( resid  51 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  50 and name    HN ) ( resid  51 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  50 and name  HD2# ) ( resid  52 and name  HD1# ) 2.56 3.0 1.0  
 assign ( resid  50 and name  HD2# ) ( resid  52 and name    HG ) 5.00 3.0 1.0  
 assign ( resid  51 and name   HA# ) ( resid  52 and name    HN ) 2.46 3.0 1.0  
 assign ( resid  51 and name    HN ) ( resid  52 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  52 and name    HA ) ( resid  53 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  52 and name   HB# ) ( resid  53 and name    HN ) 2.56 3.0 1.0  
 assign ( resid  52 and name  HD2# ) ( resid  53 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  52 and name   HB# ) ( resid  57 and name    HA ) 3.00 3.0 1.0  
 assign ( resid  52 and name  HD1# ) ( resid  57 and name    HA ) 3.00 3.0 1.0  
 assign ( resid  52 and name  HD1# ) ( resid  57 and name   HB# ) 3.46 3.0 1.0  
 assign ( resid  52 and name  HD1# ) ( resid  57 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  52 and name    HA ) ( resid  59 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  52 and name  HD2# ) ( resid  59 and name    HA ) 2.00 3.0 1.0  
 assign ( resid  52 and name  HD2# ) ( resid  59 and name   HB# ) 3.00 3.0 1.0  
 assign ( resid  52 and name  HD2# ) ( resid  59 and name   HD# ) 3.00 3.0 1.0  
 assign ( resid  52 and name  HD2# ) ( resid  59 and name   HG# ) 3.46 3.0 1.0  
 assign ( resid  52 and name    HA ) ( resid  60 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  52 and name  HD2# ) ( resid  60 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  53 and name    HA ) ( resid  54 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  53 and name   HB1 ) ( resid  56 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  53 and name   HB1 ) ( resid  58 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  53 and name   HB2 ) ( resid  58 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  53 and name    HN ) ( resid  58 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  53 and name    HN ) ( resid  59 and name    HA ) 3.00 3.0 1.0  
 assign ( resid  53 and name    HA ) ( resid  60 and name   HE# ) 3.00 3.0 1.0  
 assign ( resid  54 and name    HA ) ( resid  55 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  55 and name    HA ) ( resid  56 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  55 and name   HB# ) ( resid  56 and name   HB1 ) 4.00 3.0 1.0  
 assign ( resid  55 and name   HB# ) ( resid  56 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  55 and name    HN ) ( resid  56 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  55 and name    HN ) ( resid  57 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  56 and name    HN ) ( resid  57 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  56 and name    HN ) ( resid  58 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  57 and name    HA ) ( resid  58 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  57 and name    HN ) ( resid  58 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  58 and name    HA ) ( resid  59 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  59 and name    HA ) ( resid  60 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  59 and name   HB# ) ( resid  60 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  60 and name    HA ) ( resid  61 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  61 and name    HA ) ( resid  62 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  61 and name   HG# ) ( resid  62 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  62 and name    HA ) ( resid  63 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  62 and name   HB# ) ( resid  63 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  62 and name   HG# ) ( resid  63 and name    HN ) 3.46 3.0 1.0  
 assign ( resid  62 and name    HN ) ( resid  63 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  63 and name    HA ) ( resid  64 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  64 and name   HB# ) ( resid  65 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  64 and name   HD1 ) ( resid  65 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  65 and name    HA ) ( resid  66 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  65 and name   HB* ) ( resid  66 and name    HA ) 4.00 3.0 1.0  
 assign ( resid  65 and name   HB* ) ( resid  66 and name  HG1* ) 4.00 3.0 1.0  
 assign ( resid  65 and name   HB* ) ( resid  66 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  65 and name    HN ) ( resid  66 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  66 and name    HA ) ( resid  67 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  66 and name    HB ) ( resid  67 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  66 and name  HG1* ) ( resid  67 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  66 and name  HG2* ) ( resid  67 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  66 and name    HN ) ( resid  67 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  67 and name    HA ) ( resid  68 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  67 and name   HB# ) ( resid  68 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  67 and name    HN ) ( resid  68 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  68 and name    HA ) ( resid  69 and name   HD# ) 4.00 3.0 1.0  
 assign ( resid  69 and name   HB# ) ( resid  70 and name    HN ) 4.00 3.0 1.0  
 assign ( resid  70 and name    HA ) ( resid  71 and name    HN ) 2.00 3.0 1.0  
 assign ( resid  71 and name    HA ) ( resid  72 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  72 and name    HA ) ( resid  73 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  73 and name    HA ) ( resid  74 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  74 and name    HA ) ( resid  75 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  75 and name    HA ) ( resid  76 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  77 and name    HA ) ( resid  78 and name    HN ) 3.00 3.0 1.0  
 assign ( resid  77 and name    HN ) ( resid  78 and name    HN ) 4.00 3.0 1.0  
  assign ( resid  12 and name    HN ) ( resid  12 and name    HB ) 2.00 3.0 1.0  
 assign ( resid  12 and name    HA ) ( resid  12 and name  HG1# ) 2.00 3.0 1.0  
 assign ( resid  12 and name    HA ) ( resid  12 and name  HG2# ) 2.00 3.0 1.0  
 assign ( resid  16 and name    HA ) ( resid  16 and name  HD2# ) 2.00 3.0 1.0  
 assign ( resid  21 and name    HN ) ( resid  21 and name  HD2# ) 3.00 3.0 1.0  
 assign ( resid  21 and name    HN ) ( resid  21 and name  HD1# ) 3.00 3.0 1.0  
 assign ( resid  21 and name    HA ) ( resid  21 and name  HD2# ) 2.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  23 and name  HD1# ) 2.00 3.0 1.0  
 assign ( resid  23 and name    HA ) ( resid  23 and name  HG2# ) 3.00 3.0 1.0  
 assign ( resid  26 and name    HN ) ( resid  26 and name    HB ) 2.00 3.0 1.0  
 assign ( resid  26 and name    HN ) ( resid  26 and name  HG2# ) 3.00 3.0 1.0  
 assign ( resid  26 and name    HN ) ( resid  26 and name  HG1# ) 2.57 3.0 1.0  
 assign ( resid  26 and name    HA ) ( resid  26 and name  HG2# ) 2.00 3.0 1.0  
 assign ( resid  26 and name    HA ) ( resid  26 and name  HD1# ) 3.00 3.0 1.0  
 assign ( resid  37 and name    HA ) ( resid  37 and name    HB ) 2.00 3.0 1.0  
 assign ( resid  37 and name    HA ) ( resid  37 and name  HG2# ) 2.00 3.0 1.0  
 assign ( resid  45 and name    HA ) ( resid  45 and name  HG2# ) 2.00 3.0 1.0  
 assign ( resid  52 and name    HN ) ( resid  52 and name    HG ) 2.00 3.0 1.0  
 assign ( resid  52 and name    HA ) ( resid  52 and name  HD2# ) 2.00 3.0 1.0 

 assign ( resid  41 and name    O  ) ( resid  45 and name    HN ) 2.00 0.3 0.5  
 assign ( resid  41 and name    O  ) ( resid  45 and name     N ) 3.00 0.7 0.5  
 assign ( resid  44 and name    O  ) ( resid  48 and name    HN ) 2.00 0.3 0.5  
 assign ( resid  44 and name    O  ) ( resid  48 and name     N ) 3.00 0.7 0.5  
 assign ( resid  51 and name    O  ) ( resid  60 and name    HN ) 2.00 0.3 0.5  
 assign ( resid  51 and name    O  ) ( resid  60 and name     N ) 3.00 0.7 0.5  
 assign ( resid  12 and name    O  ) ( resid  21 and name    HN ) 2.00 0.3 0.5  
 assign ( resid  12 and name    O  ) ( resid  21 and name     N ) 3.00 0.7 0.5  
 
REMARKS     n78_phi.tbl   
REMARKS     from  HNHA  spectrum     
REMARKS     apparent  J  * 1.05   >  8.0    Large    
REMARKS     apparent  J  * 1.05   <   5.5    small      
REMARKS     M18  and     can be   positive  phi        

restraints 
   dihedral 

assign (resid 12 and name c ) (resid 13  and name n ) 
       (resid 13 and name ca  ) (resid 13  and name c )  1   -120.0   50.0  2 

assign (resid 27 and name c ) (resid 28  and name n ) 
       (resid 28 and name ca ) (resid 28  and name c )  1   -120.0   50.0  2 

assign (resid 28 and name c ) (resid 29  and name n ) 
       (resid 29 and name ca ) (resid 29  and name c )  1   -120.0   50.0  2 

assign (resid 36 and name c ) (resid 37  and name n ) 
       (resid 37 and name ca ) (resid 37  and name c )  1   -120.0   50.0  2 

assign (resid 46 and name c ) (resid 47  and name n ) 
       (resid 47 and name ca ) (resid 47  and name c )  1   -120.0   50.0  2 

assign (resid 48 and name c ) (resid 49  and name n ) 
       (resid 49 and name ca ) (resid 49  and name c )  1   -120.0   50.0  2 


assign (resid 13 and name c ) (resid 14  and name n ) 
       (resid 14 and name ca  ) (resid 14  and name c )  1   -50.0   40.0  2 

assign (resid 22 and name c ) (resid 23  and name n ) 
       (resid 23 and name ca ) (resid 23  and name c )  1   -50.0   40.0  2 

assign (resid 25 and name c ) (resid 26  and name n ) 
       (resid 26 and name ca  ) (resid 26  and name c )  1   -50.0   40.0  2 

assign (resid 31 and name c ) (resid 32  and name n ) 
       (resid 32 and name ca ) (resid 32  and name c )  1   -50.0   40.0  2 

assign (resid 34 and name c ) (resid 35  and name n ) 
       (resid 35 and name ca ) (resid 35  and name c )  1   -50.0   40.0  2 

assign (resid 37 and name c ) (resid 38  and name n ) 
       (resid 38 and name ca ) (resid 38  and name c )  1   -50.0   40.0  2 

assign (resid 38 and name c ) (resid 39  and name n ) 
       (resid 39 and name ca ) (resid 39  and name c )  1   -50.0   40.0  2 

assign (resid 40 and name c ) (resid 41  and name n ) 
       (resid 41 and name ca  ) (resid 41  and name c )  1   -50.0   40.0  2 

assign (resid 41 and name c ) (resid 42  and name n ) 
       (resid 42 and name ca  ) (resid 42  and name c )  1   -50.0   40.0  2 

assign (resid 42 and name c ) (resid 43  and name n ) 
       (resid 43 and name ca ) (resid 43  and name c )  1   -50.0   40.0  2 
 
assign (resid 45 and name c ) (resid 46  and name n ) 
       (resid 46 and name ca ) (resid 46  and name c )  1   -50.0   40.0  2 

assign (resid 52 and name c ) (resid 53  and name n ) 
       (resid 53 and name ca  ) (resid 53  and name c )  1   -50.0   40.0  2 

assign (resid 59 and name c ) (resid 60  and name n ) 
       (resid 60 and name ca  ) (resid 60  and name c )  1   -50.0   40.0  2 


 end    
restraints 
   dihedral 

assign (resid 14 and name n ) (resid 14  and name ca) 
       (resid 14 and name cb) (resid 14  and name sg)  1    180.0   30.0  2 
assign (resid 17 and name n ) (resid 17  and name ca) 
       (resid 17 and name cb) (resid 17  and name sg)  1     60.0   30.0  2 
assign (resid 31 and name n ) (resid 31  and name ca) 
       (resid 31 and name cb) (resid 31  and name sg)  1    180.0   30.0  2 
assign (resid 33 and name n ) (resid 33  and name ca) 
       (resid 33 and name cb) (resid 33  and name sg)  1     60.0   30.0  2 
assign (resid 41 and name n ) (resid 41  and name ca) 
       (resid 41 and name cb) (resid 41  and name sg)  1    -60.0   30.0  2 
assign (resid 53 and name n ) (resid 53  and name ca) 
       (resid 53 and name cb) (resid 53  and name sg)  1    180.0   30.0  2 
assign (resid 56 and name n ) (resid 56  and name ca) 
       (resid 56 and name cb) (resid 56  and name sg)  1     60.0   30.0  2  

assign (resid 28 and name n ) (resid 28  and name ca) 
       (resid 28 and name cb) (resid 28  and name cg)  1    180.0   30.0  2  
assign (resid 35 and name n ) (resid 35  and name ca) 
       (resid 35 and name cb) (resid 35  and name cg)  1    180.0   30.0  2  
assign (resid 42 and name n ) (resid 42  and name ca) 
       (resid 42 and name cb) (resid 42  and name cg)  1    180.0   30.0  2  
assign (resid 60 and name n ) (resid 60  and name ca) 
       (resid 60 and name cb) (resid 60  and name cg)  1    -60.0   30.0  2  


assign (resid 21 and name n ) (resid 21  and name ca) 
       (resid 21 and name cb) (resid 21  and name cg)  1    -60.0   30.0  2  
assign (resid 52 and name n ) (resid 52  and name ca) 
       (resid 52 and name cb) (resid 52  and name cg)  1    -60.0   30.0  2  
 
 end    
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1 -35.350   9.526  -3.237
    2    H2   MET   1           H2       MET   1 -36.667   8.458  -3.171
    3    H3   MET   1           H3       MET   1 -36.394   9.381  -4.571
    4    HA   MET   1           HA       MET   1 -38.035  10.623  -3.637
    5   1HB   MET   1          1HB       MET   1 -37.519   9.012  -1.432
    6   2HB   MET   1          2HB       MET   1 -37.170  10.637  -0.841
    7   1HG   MET   1          1HG       MET   1 -39.350  11.419  -1.394
    8   2HG   MET   1          2HG       MET   1 -39.691   9.997  -2.380
    9   1HE   MET   1          1HE       MET   1 -38.472  11.023   1.183
   10   2HE   MET   1          2HE       MET   1 -40.067  11.711   0.892
   11   3HE   MET   1          3HE       MET   1 -39.844  10.487   2.150
   12    H    SER   2           H        SER   2 -35.499  11.437  -4.633
   13    HA   SER   2           HA       SER   2 -35.233  14.005  -3.171
   14   1HB   SER   2          1HB       SER   2 -33.078  13.706  -2.534
   15   2HB   SER   2          2HB       SER   2 -33.393  11.990  -2.767
   16    HG   SER   2           HG       SER   2 -32.568  12.151  -4.836
   17    H    ARG   3           H        ARG   3 -33.768  15.526  -4.527
   18    HA   ARG   3           HA       ARG   3 -34.526  15.163  -7.389
   19   1HB   ARG   3          2HB       ARG   3 -34.318  17.573  -7.593
   20   2HB   ARG   3          1HB       ARG   3 -35.310  17.225  -6.175
   21   1HG   ARG   3          1HG       ARG   3 -33.194  17.378  -4.786
   22   2HG   ARG   3          2HG       ARG   3 -32.383  17.995  -6.225
   23   1HD   ARG   3          1HD       ARG   3 -34.313  19.722  -6.323
   24   2HD   ARG   3          2HD       ARG   3 -34.628  19.252  -4.653
   25    HE   ARG   3           HE       ARG   3 -32.031  20.415  -5.579
   26   1HH1  ARG   3          1HH1      ARG   3 -30.944  19.970  -3.311
   27   2HH1  ARG   3          2HH1      ARG   3 -31.740  20.843  -2.043
   28   1HH2  ARG   3          1HH2      ARG   3 -34.592  21.477  -3.914
   29   2HH2  ARG   3          2HH2      ARG   3 -33.807  21.698  -2.386
   30    H    SER   4           H        SER   4 -31.897  14.788  -5.366
   31    HA   SER   4           HA       SER   4 -29.850  15.841  -7.177
   32   1HB   SER   4          1HB       SER   4 -28.444  14.272  -5.507
   33   2HB   SER   4          2HB       SER   4 -28.988  15.883  -5.047
   34    HG   SER   4           HG       SER   4 -30.681  14.993  -3.955
   35    HA   PRO   5           HA       PRO   5 -29.519  12.212  -9.637
   36   1HB   PRO   5          1HB       PRO   5 -26.997  12.671 -10.634
   37   2HB   PRO   5          2HB       PRO   5 -28.439  13.542 -11.183
   38   1HG   PRO   5          2HG       PRO   5 -26.229  14.494  -9.422
   39   2HG   PRO   5          1HG       PRO   5 -27.304  15.427 -10.476
   40   1HD   PRO   5          1HD       PRO   5 -27.536  15.184  -7.663
   41   2HD   PRO   5          2HD       PRO   5 -28.770  15.838  -8.762
   42    H    ASP   6           H        ASP   6 -27.310  12.930  -7.058
   43    HA   ASP   6           HA       ASP   6 -26.599  10.038  -6.910
   44   1HB   ASP   6          1HB       ASP   6 -24.767  12.394  -7.039
   45   2HB   ASP   6          2HB       ASP   6 -24.329  11.080  -5.947
   46    H    ALA   7           H        ALA   7 -28.039   9.733  -5.167
   47    HA   ALA   7           HA       ALA   7 -27.455  11.349  -2.718
   48   1HB   ALA   7          1HB       ALA   7 -29.729  11.696  -3.138
   49   2HB   ALA   7          3HB       ALA   7 -29.773  10.322  -2.033
   50   3HB   ALA   7          2HB       ALA   7 -29.962  10.066  -3.768
   51    H    LYS   8           H        LYS   8 -25.727   9.247  -3.314
   52    HA   LYS   8           HA       LYS   8 -25.982   7.626  -0.940
   53   1HB   LYS   8          2HB       LYS   8 -26.257   5.438  -2.028
   54   2HB   LYS   8          1HB       LYS   8 -27.648   6.470  -2.359
   55   1HG   LYS   8          1HG       LYS   8 -27.209   6.542  -4.582
   56   2HG   LYS   8          2HG       LYS   8 -25.479   6.764  -4.319
   57   1HD   LYS   8          1HD       LYS   8 -25.656   4.218  -3.524
   58   2HD   LYS   8          2HD       LYS   8 -27.042   4.238  -4.616
   59   1HE   LYS   8          1HE       LYS   8 -25.458   5.328  -6.328
   60   2HE   LYS   8          2HE       LYS   8 -24.150   4.818  -5.261
   61   1HZ   LYS   8          1HZ       LYS   8 -26.197   2.864  -6.041
   62   2HZ   LYS   8          2HZ       LYS   8 -24.982   3.266  -7.157
   63   3HZ   LYS   8          3HZ       LYS   8 -24.563   2.616  -5.648
   64    H    GLU   9           H        GLU   9 -24.155   6.031  -0.806
   65    HA   GLU   9           HA       GLU   9 -21.997   6.345  -2.781
   66   1HB   GLU   9          1HB       GLU   9 -22.001   8.243  -0.895
   67   2HB   GLU   9          2HB       GLU   9 -21.207   6.970   0.032
   68   1HG   GLU   9          1HG       GLU   9 -19.886   6.786  -2.355
   69   2HG   GLU   9          2HG       GLU   9 -20.211   8.518  -2.277
   70    H    ASP  10           H        ASP  10 -20.628   4.555  -2.736
   71    HA   ASP  10           HA       ASP  10 -21.329   2.474  -0.718
   72   1HB   ASP  10          2HB       ASP  10 -19.788   2.028  -3.277
   73   2HB   ASP  10          1HB       ASP  10 -20.671   0.843  -2.313
   74    HA   PRO  11           HA       PRO  11 -17.308   2.708   1.028
   75   1HB   PRO  11          1HB       PRO  11 -17.132   0.147   2.013
   76   2HB   PRO  11          2HB       PRO  11 -18.138   1.409   2.745
   77   1HG   PRO  11          2HG       PRO  11 -18.971  -0.940   1.107
   78   2HG   PRO  11          1HG       PRO  11 -19.884  -0.049   2.337
   79   1HD   PRO  11          1HD       PRO  11 -20.178   0.218  -0.467
   80   2HD   PRO  11          2HD       PRO  11 -20.839   1.316   0.764
   81    H    VAL  12           H        VAL  12 -15.108   1.702   0.864
   82    HA   VAL  12           HA       VAL  12 -14.619   0.709  -1.857
   83    HB   VAL  12           HB       VAL  12 -12.584   1.047   0.359
   84   1HG1  VAL  12          1HG1      VAL  12 -12.462   1.112  -2.671
   85   2HG1  VAL  12          2HG1      VAL  12 -11.107   1.516  -1.616
   86   3HG1  VAL  12          3HG1      VAL  12 -11.770  -0.118  -1.614
   87   1HG2  VAL  12          1HG2      VAL  12 -14.118   3.091  -0.112
   88   2HG2  VAL  12          2HG2      VAL  12 -12.373   3.342  -0.176
   89   3HG2  VAL  12          3HG2      VAL  12 -13.294   3.168  -1.669
   90    H    GLU  13           H        GLU  13 -13.591  -1.341  -2.303
   91    HA   GLU  13           HA       GLU  13 -13.794  -3.305  -0.052
   92   1HB   GLU  13          1HB       GLU  13 -15.099  -3.287  -2.669
   93   2HB   GLU  13          2HB       GLU  13 -14.186  -4.768  -2.386
   94   1HG   GLU  13          1HG       GLU  13 -15.391  -4.480   0.031
   95   2HG   GLU  13          2HG       GLU  13 -16.611  -3.754  -1.018
   96    H    CYS  14           H        CYS  14 -11.870  -4.288   0.337
   97    HA   CYS  14           HA       CYS  14  -9.480  -3.822  -1.029
   98   1HB   CYS  14          1HB       CYS  14  -9.757  -5.015   1.194
   99   2HB   CYS  14          2HB       CYS  14 -10.181  -6.464   0.281
  100    HA   PRO  15           HA       PRO  15 -10.556  -6.084  -4.768
  101   1HB   PRO  15          1HB       PRO  15  -8.520  -5.006  -6.269
  102   2HB   PRO  15          2HB       PRO  15 -10.061  -4.180  -5.974
  103   1HG   PRO  15          2HG       PRO  15  -7.381  -3.638  -4.782
  104   2HG   PRO  15          1HG       PRO  15  -8.745  -2.534  -5.027
  105   1HD   PRO  15          1HD       PRO  15  -8.019  -3.755  -2.576
  106   2HD   PRO  15          2HD       PRO  15  -9.549  -2.919  -2.915
  107    H    LEU  16           H        LEU  16  -8.213  -6.596  -2.562
  108    HA   LEU  16           HA       LEU  16  -6.579  -8.418  -4.260
  109   1HB   LEU  16          1HB       LEU  16  -6.131  -6.888  -1.766
  110   2HB   LEU  16          2HB       LEU  16  -5.436  -8.508  -1.784
  111    HG   LEU  16           HG       LEU  16  -3.964  -6.611  -2.678
  112   1HD1  LEU  16          1HD1      LEU  16  -4.313  -9.304  -3.480
  113   2HD1  LEU  16          2HD1      LEU  16  -4.000  -8.379  -4.949
  114   3HD1  LEU  16          3HD1      LEU  16  -2.851  -8.326  -3.611
  115   1HD2  LEU  16          1HD2      LEU  16  -6.187  -5.977  -4.148
  116   2HD2  LEU  16          2HD2      LEU  16  -4.549  -5.475  -4.569
  117   3HD2  LEU  16          3HD2      LEU  16  -5.253  -6.906  -5.321
  118    H    CYS  17           H        CYS  17  -8.517  -8.344  -1.275
  119    HA   CYS  17           HA       CYS  17  -8.702 -11.329  -1.461
  120   1HB   CYS  17          2HB       CYS  17  -8.817 -11.441   0.946
  121   2HB   CYS  17          1HB       CYS  17  -7.416 -10.453   0.536
  122    H    MET  18           H        MET  18 -10.333  -8.301  -1.139
  123    HA   MET  18           HA       MET  18 -12.593  -7.852  -1.617
  124   1HB   MET  18          1HB       MET  18 -12.477 -10.355  -2.564
  125   2HB   MET  18          2HB       MET  18 -13.459 -10.663  -1.132
  126   1HG   MET  18          1HG       MET  18 -15.137  -9.110  -1.830
  127   2HG   MET  18          2HG       MET  18 -14.099  -8.456  -3.097
  128   1HE   MET  18          1HE       MET  18 -16.826  -9.036  -3.958
  129   2HE   MET  18          2HE       MET  18 -15.522  -8.699  -5.106
  130   3HE   MET  18          3HE       MET  18 -16.632 -10.036  -5.395
  131    H    GLU  19           H        GLU  19 -12.749  -6.703   0.335
  132    HA   GLU  19           HA       GLU  19 -14.419  -7.933   2.386
  133   1HB   GLU  19          1HB       GLU  19 -11.564  -7.953   2.723
  134   2HB   GLU  19          2HB       GLU  19 -12.269  -6.845   3.901
  135   1HG   GLU  19          1HG       GLU  19 -13.998  -8.767   4.297
  136   2HG   GLU  19          2HG       GLU  19 -12.774  -9.789   3.542
  137    HA   PRO  20           HA       PRO  20 -15.497  -3.735   3.086
  138   1HB   PRO  20          1HB       PRO  20 -15.879  -3.644   5.804
  139   2HB   PRO  20          2HB       PRO  20 -16.994  -4.445   4.684
  140   1HG   PRO  20          2HG       PRO  20 -15.029  -5.663   6.567
  141   2HG   PRO  20          1HG       PRO  20 -16.533  -6.341   5.922
  142   1HD   PRO  20          1HD       PRO  20 -13.916  -6.959   5.029
  143   2HD   PRO  20          2HD       PRO  20 -15.430  -7.370   4.194
  144    H    LEU  21           H        LEU  21 -13.905  -2.211   2.762
  145    HA   LEU  21           HA       LEU  21 -11.466  -2.105   4.313
  146   1HB   LEU  21          1HB       LEU  21 -12.749  -0.424   2.194
  147   2HB   LEU  21          2HB       LEU  21 -11.455   0.291   3.156
  148    HG   LEU  21           HG       LEU  21 -11.134  -2.427   1.888
  149   1HD1  LEU  21          1HD1      LEU  21 -10.674   0.303   0.662
  150   2HD1  LEU  21          2HD1      LEU  21  -9.885  -1.158   0.066
  151   3HD1  LEU  21          3HD1      LEU  21 -11.642  -1.022   0.015
  152   1HD2  LEU  21          1HD2      LEU  21  -9.575  -1.609   3.687
  153   2HD2  LEU  21          2HD2      LEU  21  -8.775  -1.931   2.149
  154   3HD2  LEU  21          3HD2      LEU  21  -9.133  -0.272   2.626
  155    H    GLU  22           H        GLU  22 -11.157  -1.108   6.251
  156    HA   GLU  22           HA       GLU  22 -13.358   0.127   7.652
  157   1HB   GLU  22          1HB       GLU  22 -10.481  -0.410   8.192
  158   2HB   GLU  22          2HB       GLU  22 -11.224   0.896   9.115
  159   1HG   GLU  22          1HG       GLU  22 -13.099  -1.212   9.129
  160   2HG   GLU  22          2HG       GLU  22 -11.532  -1.958   9.448
  161    H    ILE  23           H        ILE  23 -12.581   2.394   8.819
  162    HA   ILE  23           HA       ILE  23 -12.728   4.347   6.684
  163    HB   ILE  23           HB       ILE  23 -12.439   4.527   9.686
  164   1HG1  ILE  23          2HG1      ILE  23 -14.656   5.817   9.225
  165   2HG1  ILE  23          1HG1      ILE  23 -14.582   5.062   7.633
  166   1HG2  ILE  23          1HG2      ILE  23 -12.434   6.788   7.664
  167   2HG2  ILE  23          2HG2      ILE  23 -12.710   7.007   9.392
  168   3HG2  ILE  23          3HG2      ILE  23 -11.157   6.400   8.817
  169   1HD1  ILE  23          1HD1      ILE  23 -14.047   3.149   9.769
  170   2HD1  ILE  23          2HD1      ILE  23 -15.629   3.909   9.946
  171   3HD1  ILE  23          3HD1      ILE  23 -15.221   3.059   8.455
  172    H    ASP  24           H        ASP  24 -10.214   3.615   9.129
  173    HA   ASP  24           HA       ASP  24  -8.286   5.365   7.826
  174   1HB   ASP  24          1HB       ASP  24  -8.488   4.336  10.345
  175   2HB   ASP  24          2HB       ASP  24  -7.276   3.261   9.646
  176    H    ASP  25           H        ASP  25  -9.529   2.482   6.862
  177    HA   ASP  25           HA       ASP  25  -6.942   1.420   5.841
  178   1HB   ASP  25          1HB       ASP  25  -9.713   0.267   6.121
  179   2HB   ASP  25          2HB       ASP  25  -8.526  -0.483   5.053
  180    H    ILE  26           H        ILE  26  -9.576   3.340   4.878
  181    HA   ILE  26           HA       ILE  26  -9.964   2.648   2.171
  182    HB   ILE  26           HB       ILE  26  -9.831   5.466   3.284
  183   1HG1  ILE  26          1HG1      ILE  26 -12.102   3.451   3.261
  184   2HG1  ILE  26          2HG1      ILE  26 -11.281   4.078   4.690
  185   1HG2  ILE  26          1HG2      ILE  26 -10.181   4.616   0.692
  186   2HG2  ILE  26          2HG2      ILE  26 -11.845   4.723   1.267
  187   3HG2  ILE  26          3HG2      ILE  26 -10.794   6.137   1.339
  188   1HD1  ILE  26          1HD1      ILE  26 -12.714   5.858   2.705
  189   2HD1  ILE  26          2HD1      ILE  26 -13.496   5.197   4.140
  190   3HD1  ILE  26          3HD1      ILE  26 -12.124   6.292   4.309
  191    H    ASN  27           H        ASN  27  -7.772   5.226   3.352
  192    HA   ASN  27           HA       ASN  27  -6.244   5.028   0.824
  193   1HB   ASN  27          2HB       ASN  27  -5.682   6.870   3.157
  194   2HB   ASN  27          1HB       ASN  27  -5.219   7.083   1.468
  195   2HD2  ASN  27          2HD2      ASN  27  -6.934   8.872   3.208
  196   1HD2  ASN  27          1HD2      ASN  27  -8.404   9.022   2.371
  197    H    PHE  28           H        PHE  28  -6.119   2.774   2.635
  198    HA   PHE  28           HA       PHE  28  -3.380   3.010   3.777
  199   1HB   PHE  28          1HB       PHE  28  -4.896   2.088   5.374
  200   2HB   PHE  28          2HB       PHE  28  -5.614   1.009   4.179
  201    HD1  PHE  28           HD1      PHE  28  -1.988   1.530   4.174
  202    HD2  PHE  28           HD2      PHE  28  -5.170  -0.957   5.644
  203    HE1  PHE  28           HE1      PHE  28  -0.344  -0.233   4.755
  204    HE2  PHE  28           HE2      PHE  28  -3.523  -2.715   6.228
  205    HZ   PHE  28           HZ       PHE  28  -1.112  -2.354   5.785
  206    H    PHE  29           H        PHE  29  -2.527   2.999   1.511
  207    HA   PHE  29           HA       PHE  29  -2.543   0.251   0.340
  208   1HB   PHE  29          1HB       PHE  29  -1.471   1.574  -1.657
  209   2HB   PHE  29          2HB       PHE  29  -3.213   1.676  -1.398
  210    HD1  PHE  29           HD1      PHE  29  -0.017   3.377  -0.364
  211    HD2  PHE  29           HD2      PHE  29  -4.213   3.765  -1.233
  212    HE1  PHE  29           HE1      PHE  29   0.141   5.837  -0.067
  213    HE2  PHE  29           HE2      PHE  29  -4.053   6.218  -0.928
  214    HZ   PHE  29           HZ       PHE  29  -1.874   7.256  -0.350
  215    HA   PRO  30           HA       PRO  30   1.670  -0.003   1.582
  216   1HB   PRO  30          1HB       PRO  30   2.368  -2.147   0.005
  217   2HB   PRO  30          2HB       PRO  30   1.420  -2.292   1.495
  218   1HG   PRO  30          2HG       PRO  30   0.509  -2.511  -1.332
  219   2HG   PRO  30          1HG       PRO  30  -0.202  -3.205   0.134
  220   1HD   PRO  30          1HD       PRO  30  -1.128  -0.903  -1.242
  221   2HD   PRO  30          2HD       PRO  30  -1.641  -1.441   0.372
  222    H    CYS  31           H        CYS  31   0.580   1.031  -1.398
  223    HA   CYS  31           HA       CYS  31   3.290   1.946  -2.149
  224   1HB   CYS  31          1HB       CYS  31   2.908  -0.166  -3.406
  225   2HB   CYS  31          2HB       CYS  31   1.440   0.532  -4.091
  226    H    THR  32           H        THR  32   3.201   3.826  -3.569
  227    HA   THR  32           HA       THR  32   0.705   5.352  -3.176
  228    HB   THR  32           HB       THR  32   2.102   7.238  -4.142
  229    HG1  THR  32           HG1      THR  32   4.305   5.565  -3.710
  230   1HG2  THR  32          1HG2      THR  32   2.328   5.858  -1.610
  231   2HG2  THR  32          2HG2      THR  32   3.859   6.628  -2.026
  232   3HG2  THR  32          3HG2      THR  32   2.383   7.590  -1.939
  233    H    CYS  33           H        CYS  33   1.413   3.153  -5.406
  234    HA   CYS  33           HA       CYS  33   0.760   4.795  -7.778
  235   1HB   CYS  33          1HB       CYS  33   1.301   2.912  -9.099
  236   2HB   CYS  33          2HB       CYS  33   2.455   2.847  -7.770
  237    H    GLY  34           H        GLY  34  -1.004   3.588  -5.323
  238   1HA   GLY  34          2HA       GLY  34  -3.378   3.219  -7.092
  239   2HA   GLY  34          1HA       GLY  34  -3.444   3.786  -5.421
  240    H    TYR  35           H        TYR  35  -1.605   1.000  -6.684
  241    HA   TYR  35           HA       TYR  35  -3.340  -1.099  -6.097
  242   1HB   TYR  35          1HB       TYR  35  -1.194  -1.618  -7.046
  243   2HB   TYR  35          2HB       TYR  35  -0.345  -0.898  -5.679
  244    HD1  TYR  35           HD1      TYR  35  -2.837  -3.595  -6.460
  245    HD2  TYR  35           HD2      TYR  35   0.363  -2.267  -3.920
  246    HE1  TYR  35           HE1      TYR  35  -2.856  -5.780  -5.292
  247    HE2  TYR  35           HE2      TYR  35   0.339  -4.453  -2.749
  248    HH   TYR  35           HH       TYR  35  -0.370  -6.792  -3.244
  249    H    GLN  36           H        GLN  36  -4.651  -0.641  -4.286
  250    HA   GLN  36           HA       GLN  36  -3.240  -0.413  -1.670
  251   1HB   GLN  36          1HB       GLN  36  -4.861   1.387  -2.263
  252   2HB   GLN  36          2HB       GLN  36  -6.139   0.172  -2.338
  253   1HG   GLN  36          1HG       GLN  36  -5.306  -0.450   0.074
  254   2HG   GLN  36          2HG       GLN  36  -4.623   1.176   0.053
  255   2HE2  GLN  36          2HE2      GLN  36  -6.952   1.983  -1.834
  256   1HE2  GLN  36          1HE2      GLN  36  -8.262   2.207  -0.777
  257    H    ILE  37           H        ILE  37  -3.829  -1.783   0.040
  258    HA   ILE  37           HA       ILE  37  -5.648  -4.049  -0.619
  259    HB   ILE  37           HB       ILE  37  -4.049  -5.631   0.374
  260   1HG1  ILE  37          1HG1      ILE  37  -2.293  -3.169   0.637
  261   2HG1  ILE  37          2HG1      ILE  37  -2.939  -4.143   1.957
  262   1HG2  ILE  37          1HG2      ILE  37  -3.944  -4.701  -2.112
  263   2HG2  ILE  37          2HG2      ILE  37  -2.380  -4.090  -1.575
  264   3HG2  ILE  37          3HG2      ILE  37  -2.720  -5.820  -1.514
  265   1HD1  ILE  37          1HD1      ILE  37  -1.015  -5.123  -0.174
  266   2HD1  ILE  37          2HD1      ILE  37  -0.588  -4.738   1.493
  267   3HD1  ILE  37          3HD1      ILE  37  -1.662  -6.094   1.149
  268    H    CYS  38           H        CYS  38  -6.004  -5.336   1.566
  269    HA   CYS  38           HA       CYS  38  -6.747  -3.292   3.566
  270   1HB   CYS  38          2HB       CYS  38  -8.116  -5.017   4.560
  271   2HB   CYS  38          1HB       CYS  38  -8.353  -5.094   2.814
  272    H    ARG  39           H        ARG  39  -6.605  -4.974   5.886
  273    HA   ARG  39           HA       ARG  39  -3.723  -4.727   6.407
  274   1HB   ARG  39          1HB       ARG  39  -6.127  -4.705   7.982
  275   2HB   ARG  39          2HB       ARG  39  -5.035  -5.937   8.615
  276   1HG   ARG  39          2HG       ARG  39  -4.004  -4.216   9.675
  277   2HG   ARG  39          1HG       ARG  39  -3.313  -3.852   8.093
  278   1HD   ARG  39          1HD       ARG  39  -5.258  -2.378   7.611
  279   2HD   ARG  39          2HD       ARG  39  -5.870  -2.691   9.235
  280    HE   ARG  39           HE       ARG  39  -3.829  -1.556  10.108
  281   1HH1  ARG  39          1HH1      ARG  39  -1.794  -1.233   8.330
  282   2HH1  ARG  39          2HH1      ARG  39  -2.119   0.201   7.415
  283   1HH2  ARG  39          1HH2      ARG  39  -5.482   0.296   8.254
  284   2HH2  ARG  39          2HH2      ARG  39  -4.207   1.066   7.371
  285    H    PHE  40           H        PHE  40  -6.085  -7.283   5.896
  286    HA   PHE  40           HA       PHE  40  -4.294  -9.415   6.766
  287   1HB   PHE  40          1HB       PHE  40  -6.972  -9.258   5.432
  288   2HB   PHE  40          2HB       PHE  40  -6.066 -10.768   5.317
  289    HD1  PHE  40           HD1      PHE  40  -6.637  -8.178   7.979
  290    HD2  PHE  40           HD2      PHE  40  -6.689 -12.338   6.914
  291    HE1  PHE  40           HE1      PHE  40  -7.316  -8.761  10.291
  292    HE2  PHE  40           HE2      PHE  40  -7.370 -12.922   9.224
  293    HZ   PHE  40           HZ       PHE  40  -7.683 -11.133  10.914
  294    H    CYS  41           H        CYS  41  -4.690  -7.543   3.910
  295    HA   CYS  41           HA       CYS  41  -3.365  -9.543   2.183
  296   1HB   CYS  41          1HB       CYS  41  -4.607  -6.833   1.738
  297   2HB   CYS  41          2HB       CYS  41  -3.529  -7.524   0.527
  298    H    TRP  42           H        TRP  42  -2.685  -6.546   3.884
  299    HA   TRP  42           HA       TRP  42  -0.020  -6.284   2.667
  300   1HB   TRP  42          1HB       TRP  42  -1.269  -4.256   3.220
  301   2HB   TRP  42          2HB       TRP  42  -1.388  -4.761   4.904
  302    HD1  TRP  42           HD1      TRP  42   1.355  -3.957   2.300
  303    HE1  TRP  42           HE1      TRP  42   3.351  -2.897   3.542
  304    HE3  TRP  42           HE3      TRP  42  -0.314  -4.321   7.112
  305    HZ2  TRP  42           HZ2      TRP  42   4.136  -2.293   6.228
  306    HZ3  TRP  42           HZ3      TRP  42   1.077  -3.500   8.990
  307    HH2  TRP  42           HH2      TRP  42   3.297  -2.487   8.556
  308    H    HIS  43           H        HIS  43  -1.463  -7.688   5.512
  309    HA   HIS  43           HA       HIS  43   0.970  -7.778   7.086
  310   1HB   HIS  43          1HB       HIS  43  -1.776  -8.869   7.288
  311   2HB   HIS  43          2HB       HIS  43  -0.524  -9.826   8.080
  312    HD1  HIS  43           HD1      HIS  43  -1.833  -8.937  10.318
  313    HD2  HIS  43           HD2      HIS  43   0.356  -6.099   8.189
  314    HE1  HIS  43           HE1      HIS  43  -1.491  -6.976  11.882
  315    H    ARG  44           H        ARG  44   0.054  -9.369   4.274
  316    HA   ARG  44           HA       ARG  44   1.777 -11.722   4.937
  317   1HB   ARG  44          1HB       ARG  44  -0.761 -11.655   3.797
  318   2HB   ARG  44          2HB       ARG  44   0.310 -11.876   2.412
  319   1HG   ARG  44          1HG       ARG  44   1.469 -13.674   3.923
  320   2HG   ARG  44          2HG       ARG  44  -0.050 -13.643   4.819
  321   1HD   ARG  44          1HD       ARG  44  -1.196 -14.689   3.157
  322   2HD   ARG  44          2HD       ARG  44  -0.368 -13.785   1.889
  323    HE   ARG  44           HE       ARG  44   1.576 -15.388   2.271
  324   1HH1  ARG  44          1HH1      ARG  44   1.618 -17.351   3.885
  325   2HH1  ARG  44          2HH1      ARG  44   0.414 -18.533   3.493
  326   1HH2  ARG  44          1HH2      ARG  44  -1.394 -16.402   1.443
  327   2HH2  ARG  44          2HH2      ARG  44  -1.288 -17.996   2.111
  328    H    ILE  45           H        ILE  45   1.221  -9.108   2.618
  329    HA   ILE  45           HA       ILE  45   3.327  -9.901   0.800
  330    HB   ILE  45           HB       ILE  45   2.054  -7.191   1.294
  331   1HG1  ILE  45          1HG1      ILE  45   1.556  -9.296  -0.837
  332   2HG1  ILE  45          2HG1      ILE  45   0.489  -8.956   0.526
  333   1HG2  ILE  45          1HG2      ILE  45   4.289  -8.049  -0.377
  334   2HG2  ILE  45          2HG2      ILE  45   2.991  -7.329  -1.328
  335   3HG2  ILE  45          3HG2      ILE  45   3.728  -6.417  -0.011
  336   1HD1  ILE  45          1HD1      ILE  45   0.459  -6.528  -0.323
  337   2HD1  ILE  45          2HD1      ILE  45   1.160  -7.165  -1.811
  338   3HD1  ILE  45          3HD1      ILE  45  -0.429  -7.715  -1.278
  339    H    ARG  46           H        ARG  46   3.167  -7.743   3.614
  340    HA   ARG  46           HA       ARG  46   6.033  -7.080   3.343
  341   1HB   ARG  46          1HB       ARG  46   3.723  -5.988   4.764
  342   2HB   ARG  46          2HB       ARG  46   5.149  -6.099   5.795
  343   1HG   ARG  46          1HG       ARG  46   5.561  -5.045   3.040
  344   2HG   ARG  46          2HG       ARG  46   4.716  -3.996   4.179
  345   1HD   ARG  46          2HD       ARG  46   6.926  -3.413   4.604
  346   2HD   ARG  46          1HD       ARG  46   6.680  -4.683   5.802
  347    HE   ARG  46           HE       ARG  46   8.073  -5.108   3.189
  348   1HH1  ARG  46          1HH1      ARG  46   7.816  -7.697   3.700
  349   2HH1  ARG  46          2HH1      ARG  46   8.844  -8.120   5.029
  350   1HH2  ARG  46          1HH2      ARG  46   9.238  -4.849   6.108
  351   2HH2  ARG  46          2HH2      ARG  46   9.648  -6.507   6.393
  352    H    THR  47           H        THR  47   4.780  -9.832   4.119
  353    HA   THR  47           HA       THR  47   6.508 -10.219   6.531
  354    HB   THR  47           HB       THR  47   3.893 -11.621   5.897
  355    HG1  THR  47           HG1      THR  47   4.386 -10.044   8.154
  356   1HG2  THR  47          1HG2      THR  47   5.536 -13.057   7.055
  357   2HG2  THR  47          2HG2      THR  47   5.735 -11.820   8.295
  358   3HG2  THR  47          3HG2      THR  47   4.186 -12.645   8.114
  359    H    ASP  48           H        ASP  48   4.734 -12.480   4.412
  360    HA   ASP  48           HA       ASP  48   7.212 -14.063   4.133
  361   1HB   ASP  48          1HB       ASP  48   4.394 -14.594   3.141
  362   2HB   ASP  48          2HB       ASP  48   5.736 -15.736   3.065
  363    H    GLU  49           H        GLU  49   6.439 -11.383   2.679
  364    HA   GLU  49           HA       GLU  49   7.253 -12.373  -0.024
  365   1HB   GLU  49          1HB       GLU  49   4.859 -10.966   0.698
  366   2HB   GLU  49          2HB       GLU  49   5.854  -9.910  -0.305
  367   1HG   GLU  49          2HG       GLU  49   4.436 -11.233  -1.764
  368   2HG   GLU  49          1HG       GLU  49   6.098 -11.797  -1.943
  369    H    ASN  50           H        ASN  50   7.869 -10.121  -1.305
  370    HA   ASN  50           HA       ASN  50  10.118  -9.047   0.283
  371   1HB   ASN  50          1HB       ASN  50  10.032  -9.802  -2.294
  372   2HB   ASN  50          2HB       ASN  50   9.587  -8.107  -2.497
  373   2HD2  ASN  50          2HD2      ASN  50  12.052  -8.883  -3.536
  374   1HD2  ASN  50          1HD2      ASN  50  13.310  -8.271  -2.574
  375    H    GLY  51           H        GLY  51   7.152  -8.308   0.615
  376   1HA   GLY  51          2HA       GLY  51   7.403  -5.673   1.465
  377   2HA   GLY  51          1HA       GLY  51   5.872  -6.354   0.913
  378    H    LEU  52           H        LEU  52   6.952  -6.847  -1.815
  379    HA   LEU  52           HA       LEU  52   7.457  -4.085  -2.779
  380   1HB   LEU  52          1HB       LEU  52   7.692  -6.823  -4.023
  381   2HB   LEU  52          2HB       LEU  52   7.659  -5.378  -5.032
  382    HG   LEU  52           HG       LEU  52   9.661  -6.061  -2.867
  383   1HD1  LEU  52          1HD1      LEU  52  10.025  -7.071  -5.097
  384   2HD1  LEU  52          2HD1      LEU  52   9.938  -5.469  -5.830
  385   3HD1  LEU  52          3HD1      LEU  52  11.261  -5.866  -4.733
  386   1HD2  LEU  52          1HD2      LEU  52   8.815  -3.463  -3.994
  387   2HD2  LEU  52          2HD2      LEU  52   9.689  -3.809  -2.502
  388   3HD2  LEU  52          3HD2      LEU  52  10.555  -3.746  -4.037
  389    H    CYS  53           H        CYS  53   6.277  -3.614  -4.954
  390    HA   CYS  53           HA       CYS  53   3.390  -3.945  -4.437
  391   1HB   CYS  53          1HB       CYS  53   4.591  -1.725  -5.055
  392   2HB   CYS  53          2HB       CYS  53   4.588  -2.361  -6.700
  393    HA   PRO  54           HA       PRO  54   3.401  -7.119  -7.594
  394   1HB   PRO  54          1HB       PRO  54   0.777  -7.839  -7.218
  395   2HB   PRO  54          2HB       PRO  54   2.097  -8.387  -6.171
  396   1HG   PRO  54          2HG       PRO  54  -0.007  -6.351  -5.621
  397   2HG   PRO  54          1HG       PRO  54   0.910  -7.353  -4.484
  398   1HD   PRO  54          1HD       PRO  54   1.397  -4.619  -5.070
  399   2HD   PRO  54          2HD       PRO  54   2.474  -5.708  -4.169
  400    H    ALA  55           H        ALA  55   1.854  -4.128  -7.530
  401    HA   ALA  55           HA       ALA  55   0.439  -4.606 -10.109
  402   1HB   ALA  55          1HB       ALA  55  -0.268  -3.153  -7.815
  403   2HB   ALA  55          3HB       ALA  55   0.143  -1.932  -9.019
  404   3HB   ALA  55          2HB       ALA  55  -1.099  -3.134  -9.371
  405    H    CYS  56           H        CYS  56   2.730  -2.298  -8.598
  406    HA   CYS  56           HA       CYS  56   3.575  -1.555 -11.369
  407   1HB   CYS  56          1HB       CYS  56   4.091   0.616 -10.604
  408   2HB   CYS  56          2HB       CYS  56   2.591   0.228  -9.766
  409    H    ARG  57           H        ARG  57   4.527  -3.250  -8.620
  410    HA   ARG  57           HA       ARG  57   6.566  -4.292  -8.095
  411   1HB   ARG  57          1HB       ARG  57   6.828  -3.529 -10.910
  412   2HB   ARG  57          2HB       ARG  57   8.377  -3.547 -10.066
  413   1HG   ARG  57          1HG       ARG  57   6.694  -5.834  -9.364
  414   2HG   ARG  57          2HG       ARG  57   7.061  -5.771 -11.088
  415   1HD   ARG  57          1HD       ARG  57   9.407  -5.793 -10.697
  416   2HD   ARG  57          2HD       ARG  57   9.203  -5.423  -8.985
  417    HE   ARG  57           HE       ARG  57   7.871  -7.855  -9.390
  418   1HH1  ARG  57          1HH1      ARG  57  10.561  -7.010  -7.903
  419   2HH1  ARG  57          2HH1      ARG  57  11.575  -8.306  -8.444
  420   1HH2  ARG  57          1HH2      ARG  57   9.380  -9.343 -10.919
  421   2HH2  ARG  57          2HH2      ARG  57  10.906  -9.627 -10.151
  422    H    LYS  58           H        LYS  58   6.423  -2.473  -6.429
  423    HA   LYS  58           HA       LYS  58   8.957  -0.956  -6.497
  424   1HB   LYS  58          1HB       LYS  58   6.216   0.312  -6.325
  425   2HB   LYS  58          2HB       LYS  58   7.654   1.113  -5.692
  426   1HG   LYS  58          1HG       LYS  58   8.709   0.763  -7.984
  427   2HG   LYS  58          2HG       LYS  58   7.108   0.287  -8.552
  428   1HD   LYS  58          1HD       LYS  58   6.357   2.541  -7.412
  429   2HD   LYS  58          2HD       LYS  58   8.057   2.971  -7.599
  430   1HE   LYS  58          1HE       LYS  58   7.936   3.022  -9.897
  431   2HE   LYS  58          2HE       LYS  58   6.688   1.778  -9.964
  432   1HZ   LYS  58          1HZ       LYS  58   5.146   3.457  -8.990
  433   2HZ   LYS  58          2HZ       LYS  58   6.353   4.629  -9.222
  434   3HZ   LYS  58          3HZ       LYS  58   5.686   3.826 -10.558
  435    HA   PRO  59           HA       PRO  59   8.821  -2.065  -2.256
  436   1HB   PRO  59          1HB       PRO  59  10.549  -0.170  -1.252
  437   2HB   PRO  59          2HB       PRO  59  11.074  -1.594  -2.168
  438   1HG   PRO  59          2HG       PRO  59  10.904   1.253  -3.055
  439   2HG   PRO  59          1HG       PRO  59  11.979  -0.037  -3.621
  440   1HD   PRO  59          1HD       PRO  59   9.673   0.876  -4.964
  441   2HD   PRO  59          2HD       PRO  59  10.528  -0.647  -5.294
  442    H    TYR  60           H        TYR  60   7.046  -1.648  -1.011
  443    HA   TYR  60           HA       TYR  60   5.395   0.551  -0.967
  444   1HB   TYR  60          2HB       TYR  60   6.207  -1.022   1.497
  445   2HB   TYR  60          1HB       TYR  60   4.735  -0.071   1.318
  446    HD1  TYR  60           HD1      TYR  60   4.860  -1.093  -1.837
  447    HD2  TYR  60           HD2      TYR  60   4.526  -2.897   2.048
  448    HE1  TYR  60           HE1      TYR  60   3.713  -3.047  -2.842
  449    HE2  TYR  60           HE2      TYR  60   3.380  -4.853   1.040
  450    HH   TYR  60           HH       TYR  60   2.309  -4.851  -2.266
  451    HA   PRO  61           HA       PRO  61   7.766   3.847   0.719
  452   1HB   PRO  61          1HB       PRO  61   5.680   5.526   1.335
  453   2HB   PRO  61          2HB       PRO  61   6.268   5.260  -0.315
  454   1HG   PRO  61          2HG       PRO  61   3.783   4.242   0.976
  455   2HG   PRO  61          1HG       PRO  61   4.117   4.533  -0.739
  456   1HD   PRO  61          1HD       PRO  61   4.120   2.013   0.557
  457   2HD   PRO  61          2HD       PRO  61   4.745   2.356  -1.070
  458    H    GLU  62           H        GLU  62   8.562   2.861   2.685
  459    HA   GLU  62           HA       GLU  62   7.839   4.021   5.119
  460   1HB   GLU  62          1HB       GLU  62   6.709   1.850   6.115
  461   2HB   GLU  62          2HB       GLU  62   5.729   3.055   5.279
  462   1HG   GLU  62          1HG       GLU  62   5.216   1.617   3.616
  463   2HG   GLU  62          2HG       GLU  62   6.900   1.126   3.429
  464    H    ASP  63           H        ASP  63  10.164   3.043   3.744
  465    HA   ASP  63           HA       ASP  63  12.142   1.852   4.178
  466   1HB   ASP  63          1HB       ASP  63  10.922   2.156   6.925
  467   2HB   ASP  63          2HB       ASP  63  12.477   1.359   6.686
  468    HA   PRO  64           HA       PRO  64   9.844  -2.154   4.202
  469   1HB   PRO  64          1HB       PRO  64  10.557  -2.857   1.642
  470   2HB   PRO  64          2HB       PRO  64   9.104  -1.919   2.030
  471   1HG   PRO  64          2HG       PRO  64  11.669  -0.991   0.826
  472   2HG   PRO  64          1HG       PRO  64  10.044  -0.305   0.670
  473   1HD   PRO  64          1HD       PRO  64  12.111   0.682   2.337
  474   2HD   PRO  64          2HD       PRO  64  10.399   1.152   2.403
  475    H    ALA  65           H        ALA  65  12.845  -1.816   2.262
  476    HA   ALA  65           HA       ALA  65  13.968  -4.131   3.765
  477   1HB   ALA  65          1HB       ALA  65  15.554  -4.340   1.927
  478   2HB   ALA  65          3HB       ALA  65  13.923  -4.240   1.265
  479   3HB   ALA  65          2HB       ALA  65  14.981  -2.830   1.219
  480    H    VAL  66           H        VAL  66  15.345  -1.164   2.291
  481    HA   VAL  66           HA       VAL  66  16.594  -0.505   4.894
  482    HB   VAL  66           HB       VAL  66  18.779  -0.106   3.447
  483   1HG1  VAL  66          1HG1      VAL  66  18.201  -1.785   5.394
  484   2HG1  VAL  66          2HG1      VAL  66  18.188  -2.978   4.095
  485   3HG1  VAL  66          3HG1      VAL  66  19.648  -2.042   4.417
  486   1HG2  VAL  66          1HG2      VAL  66  17.671  -0.789   1.324
  487   2HG2  VAL  66          2HG2      VAL  66  19.051  -1.817   1.710
  488   3HG2  VAL  66          3HG2      VAL  66  17.411  -2.397   1.999
  489    H    TYR  67           H        TYR  67  16.131   0.377   1.477
  490    HA   TYR  67           HA       TYR  67  15.500   2.472   0.589
  491   1HB   TYR  67          1HB       TYR  67  14.490   2.648   3.074
  492   2HB   TYR  67          2HB       TYR  67  15.765   3.859   3.214
  493    HD1  TYR  67           HD1      TYR  67  15.956   5.198   0.736
  494    HD2  TYR  67           HD2      TYR  67  12.428   3.621   2.611
  495    HE1  TYR  67           HE1      TYR  67  14.562   6.811  -0.532
  496    HE2  TYR  67           HE2      TYR  67  11.033   5.233   1.342
  497    HH   TYR  67           HH       TYR  67  11.417   7.532   0.246
  498    H    LYS  68           H        LYS  68  16.917   3.797  -0.467
  499    HA   LYS  68           HA       LYS  68  19.288   4.825   0.971
  500   1HB   LYS  68          1HB       LYS  68  19.802   2.552  -0.114
  501   2HB   LYS  68          2HB       LYS  68  19.633   3.384  -1.660
  502   1HG   LYS  68          1HG       LYS  68  21.505   4.724  -1.300
  503   2HG   LYS  68          2HG       LYS  68  21.407   4.564   0.454
  504   1HD   LYS  68          1HD       LYS  68  21.767   1.953  -0.336
  505   2HD   LYS  68          2HD       LYS  68  22.746   2.832  -1.511
  506   1HE   LYS  68          2HE       LYS  68  24.326   2.738   0.135
  507   2HE   LYS  68          1HE       LYS  68  23.451   4.134   0.764
  508   1HZ   LYS  68          1HZ       LYS  68  22.022   2.073   1.735
  509   2HZ   LYS  68          2HZ       LYS  68  23.594   1.440   1.780
  510   3HZ   LYS  68          3HZ       LYS  68  23.241   2.891   2.590
  511    HA   PRO  69           HA       PRO  69  17.996   8.153  -1.724
  512   1HB   PRO  69          1HB       PRO  69  19.662  10.031  -0.608
  513   2HB   PRO  69          2HB       PRO  69  18.122   9.538   0.117
  514   1HG   PRO  69          2HG       PRO  69  20.898   8.846   0.956
  515   2HG   PRO  69          1HG       PRO  69  19.418   8.920   1.927
  516   1HD   PRO  69          1HD       PRO  69  20.648   6.563   0.938
  517   2HD   PRO  69          2HD       PRO  69  19.020   6.681   1.641
  518    H    LEU  70           H        LEU  70  21.451   8.503  -0.871
  519    HA   LEU  70           HA       LEU  70  22.434   7.645  -3.445
  520   1HB   LEU  70          1HB       LEU  70  21.343  10.230  -3.428
  521   2HB   LEU  70          2HB       LEU  70  23.087  10.475  -3.324
  522    HG   LEU  70           HG       LEU  70  22.551   8.381  -5.216
  523   1HD1  LEU  70          1HD1      LEU  70  20.921  10.909  -5.487
  524   2HD1  LEU  70          2HD1      LEU  70  21.415   9.978  -6.902
  525   3HD1  LEU  70          3HD1      LEU  70  20.391   9.237  -5.673
  526   1HD2  LEU  70          1HD2      LEU  70  24.137  10.759  -4.889
  527   2HD2  LEU  70          2HD2      LEU  70  24.394   9.414  -6.000
  528   3HD2  LEU  70          3HD2      LEU  70  23.393  10.782  -6.488
  529    H    SER  71           H        SER  71  23.504   6.668  -1.359
  530    HA   SER  71           HA       SER  71  25.398   8.283   0.098
  531   1HB   SER  71          1HB       SER  71  26.163   6.235   1.040
  532   2HB   SER  71          2HB       SER  71  24.441   5.990   0.755
  533    HG   SER  71           HG       SER  71  26.460   4.578  -0.182
  534    H    GLN  72           H        GLN  72  27.762   6.682  -0.137
  535    HA   GLN  72           HA       GLN  72  29.188   8.028  -2.150
  536   1HB   GLN  72          1HB       GLN  72  29.647   5.486  -0.626
  537   2HB   GLN  72          2HB       GLN  72  30.724   5.881  -1.967
  538   1HG   GLN  72          1HG       GLN  72  31.311   8.000  -0.960
  539   2HG   GLN  72          2HG       GLN  72  30.095   7.790   0.300
  540   2HE2  GLN  72          2HE2      GLN  72  31.691   7.812   2.032
  541   1HE2  GLN  72          1HE2      GLN  72  32.766   6.519   2.264
  542    H    GLU  73           H        GLU  73  29.111   7.866  -4.332
  543    HA   GLU  73           HA       GLU  73  27.676   5.578  -5.541
  544   1HB   GLU  73          1HB       GLU  73  28.177   8.359  -6.247
  545   2HB   GLU  73          2HB       GLU  73  28.550   7.274  -7.587
  546   1HG   GLU  73          1HG       GLU  73  25.993   6.948  -6.030
  547   2HG   GLU  73          2HG       GLU  73  26.103   8.132  -7.333
  548    H    GLU  74           H        GLU  74  30.905   7.020  -5.463
  549    HA   GLU  74           HA       GLU  74  31.871   4.774  -7.181
  550   1HB   GLU  74          1HB       GLU  74  32.307   7.285  -7.758
  551   2HB   GLU  74          2HB       GLU  74  33.513   7.196  -6.473
  552   1HG   GLU  74          1HG       GLU  74  33.586   4.944  -8.382
  553   2HG   GLU  74          2HG       GLU  74  33.998   6.512  -9.077
  554    H    LEU  75           H        LEU  75  31.667   5.736  -3.975
  555    HA   LEU  75           HA       LEU  75  32.732   4.962  -2.028
  556   1HB   LEU  75          1HB       LEU  75  32.787   2.820  -3.940
  557   2HB   LEU  75          2HB       LEU  75  34.305   2.813  -3.041
  558    HG   LEU  75           HG       LEU  75  32.214   3.323  -1.174
  559   1HD1  LEU  75          1HD1      LEU  75  31.310   1.744  -3.381
  560   2HD1  LEU  75          2HD1      LEU  75  31.485   0.681  -1.985
  561   3HD1  LEU  75          3HD1      LEU  75  30.457   2.109  -1.882
  562   1HD2  LEU  75          1HD2      LEU  75  34.544   1.855  -1.356
  563   2HD2  LEU  75          2HD2      LEU  75  33.418   1.793   0.000
  564   3HD2  LEU  75          3HD2      LEU  75  33.313   0.594  -1.288
  565    H    GLN  76           H        GLN  76  34.022   7.051  -2.499
  566    HA   GLN  76           HA       GLN  76  36.578   7.050  -3.690
  567   1HB   GLN  76          1HB       GLN  76  35.244   9.035  -2.745
  568   2HB   GLN  76          2HB       GLN  76  35.937   8.604  -1.181
  569   1HG   GLN  76          2HG       GLN  76  37.517  10.128  -1.964
  570   2HG   GLN  76          1HG       GLN  76  38.208   8.604  -2.523
  571   2HE2  GLN  76          2HE2      GLN  76  37.534  11.683  -3.588
  572   1HE2  GLN  76          1HE2      GLN  76  37.345  11.371  -5.246
  573    H    ARG  77           H        ARG  77  35.820   6.578  -0.213
  574    HA   ARG  77           HA       ARG  77  37.074   5.509   1.462
  575   1HB   ARG  77          1HB       ARG  77  36.780   3.709  -0.507
  576   2HB   ARG  77          2HB       ARG  77  38.534   3.886  -0.574
  577   1HG   ARG  77          1HG       ARG  77  37.814   3.728   2.173
  578   2HG   ARG  77          2HG       ARG  77  36.961   2.430   1.337
  579   1HD   ARG  77          1HD       ARG  77  39.631   2.584   0.300
  580   2HD   ARG  77          2HD       ARG  77  39.713   2.525   2.061
  581    HE   ARG  77           HE       ARG  77  38.032   0.501   1.684
  582   1HH1  ARG  77          1HH1      ARG  77  39.113   0.978  -1.282
  583   2HH1  ARG  77          2HH1      ARG  77  40.162  -0.395  -1.399
  584   1HH2  ARG  77          1HH2      ARG  77  40.087  -1.077   2.000
  585   2HH2  ARG  77          2HH2      ARG  77  40.714  -1.559   0.459
  586    H    ILE  78           H        ILE  78  39.681   4.605   1.567
  587    HA   ILE  78           HA       ILE  78  41.205   7.071   0.828
  588    HB   ILE  78           HB       ILE  78  42.701   6.500   2.719
  589   1HG1  ILE  78          2HG1      ILE  78  41.218   4.665   4.202
  590   2HG1  ILE  78          1HG1      ILE  78  41.169   4.014   2.564
  591   1HG2  ILE  78          1HG2      ILE  78  39.993   7.378   2.856
  592   2HG2  ILE  78          2HG2      ILE  78  40.291   6.363   4.267
  593   3HG2  ILE  78          3HG2      ILE  78  41.314   7.766   3.958
  594   1HD1  ILE  78          1HD1      ILE  78  43.710   4.894   3.961
  595   2HD1  ILE  78          2HD1      ILE  78  43.148   3.224   3.893
  596   3HD1  ILE  78          3HD1      ILE  78  43.590   4.067   2.408

  No H/Q in entry =         596
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1 -29.439  -5.978  14.834
    2    H2   MET   1           H2       MET   1 -29.949  -7.546  15.247
    3    H3   MET   1           H3       MET   1 -28.499  -6.935  15.876
    4    HA   MET   1           HA       MET   1 -27.513  -8.033  14.219
    5   1HB   MET   1          1HB       MET   1 -30.187  -8.643  13.670
    6   2HB   MET   1          2HB       MET   1 -29.564  -7.995  12.152
    7   1HG   MET   1          1HG       MET   1 -27.490  -9.586  12.854
    8   2HG   MET   1          2HG       MET   1 -28.816 -10.479  13.598
    9   1HE   MET   1          1HE       MET   1 -27.756 -12.111  12.323
   10   2HE   MET   1          2HE       MET   1 -28.743 -12.784  11.017
   11   3HE   MET   1          3HE       MET   1 -27.253 -11.919  10.646
   12    H    SER   2           H        SER   2 -26.424  -7.402  12.248
   13    HA   SER   2           HA       SER   2 -27.202  -5.210  10.605
   14   1HB   SER   2          1HB       SER   2 -26.826  -3.507  12.069
   15   2HB   SER   2          2HB       SER   2 -25.880  -4.523  13.151
   16    HG   SER   2           HG       SER   2 -24.947  -3.594  10.638
   17    H    ARG   3           H        ARG   3 -25.675  -4.908   8.920
   18    HA   ARG   3           HA       ARG   3 -23.182  -6.542   9.146
   19   1HB   ARG   3          1HB       ARG   3 -25.422  -6.861   7.315
   20   2HB   ARG   3          2HB       ARG   3 -23.914  -6.580   6.443
   21   1HG   ARG   3          1HG       ARG   3 -23.605  -8.433   8.695
   22   2HG   ARG   3          2HG       ARG   3 -24.734  -9.016   7.471
   23   1HD   ARG   3          1HD       ARG   3 -23.101  -8.898   5.751
   24   2HD   ARG   3          2HD       ARG   3 -22.027  -7.900   6.730
   25    HE   ARG   3           HE       ARG   3 -22.141 -10.176   8.218
   26   1HH1  ARG   3          1HH1      ARG   3 -22.726 -10.597   4.978
   27   2HH1  ARG   3          2HH1      ARG   3 -21.325 -11.562   4.651
   28   1HH2  ARG   3          1HH2      ARG   3 -19.886 -10.998   7.754
   29   2HH2  ARG   3          2HH2      ARG   3 -19.718 -11.789   6.222
   30    H    SER   4           H        SER   4 -24.748  -4.225   6.897
   31    HA   SER   4           HA       SER   4 -22.125  -2.789   6.788
   32   1HB   SER   4          1HB       SER   4 -23.724  -3.859   4.694
   33   2HB   SER   4          2HB       SER   4 -23.827  -2.105   4.581
   34    HG   SER   4           HG       SER   4 -21.401  -2.316   4.957
   35    HA   PRO   5           HA       PRO   5 -24.977   0.232   8.623
   36   1HB   PRO   5          1HB       PRO   5 -23.024   1.441  10.132
   37   2HB   PRO   5          2HB       PRO   5 -23.913   0.002  10.658
   38   1HG   PRO   5          2HG       PRO   5 -21.108   0.217   9.674
   39   2HG   PRO   5          1HG       PRO   5 -21.827  -0.989  10.752
   40   1HD   PRO   5          1HD       PRO   5 -21.265  -1.345   7.998
   41   2HD   PRO   5          2HD       PRO   5 -22.262  -2.413   9.010
   42    H    ASP   6           H        ASP   6 -22.660   0.336   6.297
   43    HA   ASP   6           HA       ASP   6 -21.626   2.899   6.087
   44   1HB   ASP   6          1HB       ASP   6 -22.841   1.143   3.939
   45   2HB   ASP   6          2HB       ASP   6 -21.982   2.640   3.578
   46    H    ALA   7           H        ALA   7 -22.522   4.903   6.048
   47    HA   ALA   7           HA       ALA   7 -25.448   5.100   5.462
   48   1HB   ALA   7          1HB       ALA   7 -23.839   6.127   7.598
   49   2HB   ALA   7          2HB       ALA   7 -25.575   6.313   7.353
   50   3HB   ALA   7          3HB       ALA   7 -24.456   7.490   6.665
   51    H    LYS   8           H        LYS   8 -22.546   5.558   3.990
   52    HA   LYS   8           HA       LYS   8 -23.658   7.760   2.307
   53   1HB   LYS   8          1HB       LYS   8 -21.307   8.618   2.067
   54   2HB   LYS   8          2HB       LYS   8 -21.953   8.782   3.701
   55   1HG   LYS   8          1HG       LYS   8 -20.874   6.406   4.055
   56   2HG   LYS   8          2HG       LYS   8 -19.884   6.867   2.669
   57   1HD   LYS   8          2HD       LYS   8 -18.561   7.857   4.235
   58   2HD   LYS   8          1HD       LYS   8 -19.765   9.144   4.173
   59   1HE   LYS   8          1HE       LYS   8 -20.751   7.100   5.910
   60   2HE   LYS   8          2HE       LYS   8 -19.095   7.470   6.388
   61   1HZ   LYS   8          1HZ       LYS   8 -20.384   9.877   5.799
   62   2HZ   LYS   8          2HZ       LYS   8 -21.410   8.989   6.823
   63   3HZ   LYS   8          3HZ       LYS   8 -19.820   9.332   7.305
   64    H    GLU   9           H        GLU   9 -22.173   7.858   0.203
   65    HA   GLU   9           HA       GLU   9 -22.220   5.125  -0.899
   66   1HB   GLU   9          1HB       GLU   9 -22.012   7.894  -2.028
   67   2HB   GLU   9          2HB       GLU   9 -21.419   6.541  -2.994
   68   1HG   GLU   9          1HG       GLU   9 -24.132   6.399  -1.702
   69   2HG   GLU   9          2HG       GLU   9 -23.922   7.247  -3.234
   70    H    ASP  10           H        ASP  10 -20.413   4.043  -0.110
   71    HA   ASP  10           HA       ASP  10 -17.813   4.949  -1.172
   72   1HB   ASP  10          1HB       ASP  10 -18.524   4.860   1.730
   73   2HB   ASP  10          2HB       ASP  10 -16.913   4.318   1.260
   74    HA   PRO  11           HA       PRO  11 -18.566   0.384  -1.195
   75   1HB   PRO  11          1HB       PRO  11 -18.352   0.105  -3.921
   76   2HB   PRO  11          2HB       PRO  11 -19.881   0.434  -3.087
   77   1HG   PRO  11          2HG       PRO  11 -18.191   2.284  -4.704
   78   2HG   PRO  11          1HG       PRO  11 -19.934   2.338  -4.394
   79   1HD   PRO  11          1HD       PRO  11 -17.972   3.935  -3.120
   80   2HD   PRO  11          2HD       PRO  11 -19.660   3.740  -2.601
   81    H    VAL  12           H        VAL  12 -16.274   0.921  -0.210
   82    HA   VAL  12           HA       VAL  12 -14.179   0.192  -2.218
   83    HB   VAL  12           HB       VAL  12 -13.920   1.759   0.367
   84   1HG1  VAL  12          1HG1      VAL  12 -11.942   0.425  -1.419
   85   2HG1  VAL  12          2HG1      VAL  12 -11.531   2.039  -0.839
   86   3HG1  VAL  12          3HG1      VAL  12 -11.856   0.746   0.315
   87   1HG2  VAL  12          1HG2      VAL  12 -14.872   3.017  -1.547
   88   2HG2  VAL  12          2HG2      VAL  12 -13.256   3.595  -1.137
   89   3HG2  VAL  12          3HG2      VAL  12 -13.490   2.543  -2.535
   90    H    GLU  13           H        GLU  13 -13.401  -1.840  -1.948
   91    HA   GLU  13           HA       GLU  13 -12.998  -2.915   0.763
   92   1HB   GLU  13          1HB       GLU  13 -14.265  -5.032   0.144
   93   2HB   GLU  13          2HB       GLU  13 -15.277  -3.615   0.430
   94   1HG   GLU  13          1HG       GLU  13 -14.565  -3.517  -2.300
   95   2HG   GLU  13          2HG       GLU  13 -15.009  -5.192  -1.976
   96    H    CYS  14           H        CYS  14 -11.215  -4.230   0.778
   97    HA   CYS  14           HA       CYS  14  -9.296  -4.406  -1.145
   98   1HB   CYS  14          1HB       CYS  14  -9.450  -5.512   1.235
   99   2HB   CYS  14          2HB       CYS  14  -9.962  -6.936   0.332
  100    HA   PRO  15           HA       PRO  15 -11.717  -6.575  -4.284
  101   1HB   PRO  15          1HB       PRO  15 -10.182  -5.669  -6.380
  102   2HB   PRO  15          2HB       PRO  15 -11.508  -4.737  -5.660
  103   1HG   PRO  15          2HG       PRO  15  -8.567  -4.345  -5.369
  104   2HG   PRO  15          1HG       PRO  15  -9.876  -3.163  -5.220
  105   1HD   PRO  15          1HD       PRO  15  -8.491  -4.388  -3.073
  106   2HD   PRO  15          2HD       PRO  15 -10.000  -3.457  -2.951
  107    H    LEU  16           H        LEU  16  -8.811  -7.192  -2.913
  108    HA   LEU  16           HA       LEU  16  -8.040  -9.244  -4.936
  109   1HB   LEU  16          1HB       LEU  16  -6.247  -8.699  -2.629
  110   2HB   LEU  16          2HB       LEU  16  -5.844  -9.004  -4.315
  111    HG   LEU  16           HG       LEU  16  -7.255  -6.439  -3.769
  112   1HD1  LEU  16          1HD1      LEU  16  -5.427  -6.955  -1.927
  113   2HD1  LEU  16          2HD1      LEU  16  -4.316  -6.519  -3.226
  114   3HD1  LEU  16          3HD1      LEU  16  -5.528  -5.362  -2.674
  115   1HD2  LEU  16          1HD2      LEU  16  -6.379  -7.219  -6.011
  116   2HD2  LEU  16          2HD2      LEU  16  -5.758  -5.648  -5.498
  117   3HD2  LEU  16          3HD2      LEU  16  -4.750  -7.090  -5.347
  118    H    CYS  17           H        CYS  17  -9.343  -8.771  -1.771
  119    HA   CYS  17           HA       CYS  17  -9.429 -11.719  -1.425
  120   1HB   CYS  17          1HB       CYS  17  -8.503 -11.723   0.730
  121   2HB   CYS  17          2HB       CYS  17  -7.484 -10.559  -0.109
  122    H    MET  18           H        MET  18 -11.172  -9.083  -1.819
  123    HA   MET  18           HA       MET  18 -13.340  -8.433  -1.229
  124   1HB   MET  18          1HB       MET  18 -13.385 -11.158  -1.516
  125   2HB   MET  18          2HB       MET  18 -13.985 -10.971   0.133
  126   1HG   MET  18          1HG       MET  18 -15.860  -9.780  -0.535
  127   2HG   MET  18          2HG       MET  18 -15.085  -9.181  -2.001
  128   1HE   MET  18          1HE       MET  18 -17.895 -10.697  -1.088
  129   2HE   MET  18          2HE       MET  18 -18.073 -12.342  -1.713
  130   3HE   MET  18          3HE       MET  18 -17.081 -12.039  -0.289
  131    H    GLU  19           H        GLU  19 -12.654  -6.928   0.384
  132    HA   GLU  19           HA       GLU  19 -13.368  -7.742   3.135
  133   1HB   GLU  19          1HB       GLU  19 -10.933  -8.178   2.974
  134   2HB   GLU  19          2HB       GLU  19 -10.676  -6.518   2.442
  135   1HG   GLU  19          2HG       GLU  19 -10.251  -6.337   4.726
  136   2HG   GLU  19          1HG       GLU  19 -11.961  -5.913   4.658
  137    HA   PRO  20           HA       PRO  20 -15.028  -3.655   2.869
  138   1HB   PRO  20          1HB       PRO  20 -15.729  -3.401   5.518
  139   2HB   PRO  20          2HB       PRO  20 -16.659  -4.343   4.341
  140   1HG   PRO  20          2HG       PRO  20 -14.833  -5.306   6.500
  141   2HG   PRO  20          1HG       PRO  20 -16.240  -6.106   5.781
  142   1HD   PRO  20          1HD       PRO  20 -13.556  -6.692   5.180
  143   2HD   PRO  20          2HD       PRO  20 -14.957  -7.165   4.198
  144    H    LEU  21           H        LEU  21 -13.664  -1.922   2.677
  145    HA   LEU  21           HA       LEU  21 -11.445  -1.553   4.593
  146   1HB   LEU  21          1HB       LEU  21 -12.246  -0.079   2.067
  147   2HB   LEU  21          2HB       LEU  21 -10.849   0.353   3.052
  148    HG   LEU  21           HG       LEU  21 -11.130  -2.496   2.186
  149   1HD1  LEU  21          1HD1      LEU  21 -11.590  -1.176   0.137
  150   2HD1  LEU  21          2HD1      LEU  21 -10.101  -0.269   0.399
  151   3HD1  LEU  21          3HD1      LEU  21 -10.030  -1.995   0.043
  152   1HD2  LEU  21          1HD2      LEU  21  -8.831  -0.555   2.586
  153   2HD2  LEU  21          2HD2      LEU  21  -9.294  -1.877   3.658
  154   3HD2  LEU  21          3HD2      LEU  21  -8.634  -2.226   2.060
  155    H    GLU  22           H        GLU  22 -11.741  -0.310   6.389
  156    HA   GLU  22           HA       GLU  22 -14.130   1.227   6.832
  157   1HB   GLU  22          2HB       GLU  22 -11.457   1.385   8.263
  158   2HB   GLU  22          1HB       GLU  22 -12.984   2.032   8.862
  159   1HG   GLU  22          1HG       GLU  22 -13.157  -0.785   8.057
  160   2HG   GLU  22          2HG       GLU  22 -12.026  -0.506   9.382
  161    H    ILE  23           H        ILE  23 -13.059   3.650   7.928
  162    HA   ILE  23           HA       ILE  23 -12.824   5.196   5.460
  163    HB   ILE  23           HB       ILE  23 -12.942   5.885   8.397
  164   1HG1  ILE  23          2HG1      ILE  23 -14.948   7.158   7.572
  165   2HG1  ILE  23          1HG1      ILE  23 -14.653   6.490   5.967
  166   1HG2  ILE  23          1HG2      ILE  23 -11.297   7.415   7.338
  167   2HG2  ILE  23          2HG2      ILE  23 -12.489   7.824   6.105
  168   3HG2  ILE  23          3HG2      ILE  23 -12.775   8.262   7.788
  169   1HD1  ILE  23          1HD1      ILE  23 -14.988   4.746   8.415
  170   2HD1  ILE  23          2HD1      ILE  23 -16.346   5.225   7.396
  171   3HD1  ILE  23          3HD1      ILE  23 -15.037   4.255   6.723
  172    H    ASP  24           H        ASP  24 -10.711   4.602   8.289
  173    HA   ASP  24           HA       ASP  24  -8.476   6.005   7.035
  174   1HB   ASP  24          1HB       ASP  24  -8.983   4.597   9.602
  175   2HB   ASP  24          2HB       ASP  24  -7.310   4.630   9.047
  176    H    ASP  25           H        ASP  25  -9.821   2.911   6.701
  177    HA   ASP  25           HA       ASP  25  -7.258   1.586   6.087
  178   1HB   ASP  25          1HB       ASP  25 -10.118   0.604   5.825
  179   2HB   ASP  25          2HB       ASP  25  -8.676  -0.384   5.590
  180    H    ILE  26           H        ILE  26  -9.333   3.653   4.471
  181    HA   ILE  26           HA       ILE  26  -9.155   2.374   1.838
  182    HB   ILE  26           HB       ILE  26 -10.104   5.112   2.725
  183   1HG1  ILE  26          1HG1      ILE  26 -11.812   2.989   1.477
  184   2HG1  ILE  26          2HG1      ILE  26 -11.354   2.808   3.171
  185   1HG2  ILE  26          1HG2      ILE  26 -10.035   3.811  -0.010
  186   2HG2  ILE  26          2HG2      ILE  26 -11.057   5.195   0.377
  187   3HG2  ILE  26          3HG2      ILE  26  -9.302   5.343   0.467
  188   1HD1  ILE  26          1HD1      ILE  26 -12.107   5.489   2.949
  189   2HD1  ILE  26          2HD1      ILE  26 -13.293   4.623   1.972
  190   3HD1  ILE  26          3HD1      ILE  26 -13.064   4.194   3.668
  191    H    ASN  27           H        ASN  27  -7.569   5.059   3.546
  192    HA   ASN  27           HA       ASN  27  -5.857   5.588   1.197
  193   1HB   ASN  27          1HB       ASN  27  -5.507   6.848   3.910
  194   2HB   ASN  27          2HB       ASN  27  -5.145   7.526   2.323
  195   2HD2  ASN  27          2HD2      ASN  27  -7.110   8.297   4.666
  196   1HD2  ASN  27          1HD2      ASN  27  -8.559   8.619   3.844
  197    H    PHE  28           H        PHE  28  -5.771   3.045   2.958
  198    HA   PHE  28           HA       PHE  28  -2.918   3.260   3.802
  199   1HB   PHE  28          1HB       PHE  28  -4.118   2.421   5.641
  200   2HB   PHE  28          2HB       PHE  28  -5.183   1.450   4.627
  201    HD1  PHE  28           HD1      PHE  28  -1.489   1.657   4.279
  202    HD2  PHE  28           HD2      PHE  28  -4.815  -0.702   5.634
  203    HE1  PHE  28           HE1      PHE  28   0.009  -0.303   4.545
  204    HE2  PHE  28           HE2      PHE  28  -3.314  -2.658   5.902
  205    HZ   PHE  28           HZ       PHE  28  -0.904  -2.459   5.361
  206    H    PHE  29           H        PHE  29  -1.890   2.937   1.807
  207    HA   PHE  29           HA       PHE  29  -2.379   0.263   0.555
  208   1HB   PHE  29          1HB       PHE  29  -1.116   1.551  -1.431
  209   2HB   PHE  29          2HB       PHE  29  -2.866   1.617  -1.252
  210    HD1  PHE  29           HD1      PHE  29   0.216   3.349   0.035
  211    HD2  PHE  29           HD2      PHE  29  -3.885   3.696  -1.217
  212    HE1  PHE  29           HE1      PHE  29   0.322   5.812   0.338
  213    HE2  PHE  29           HE2      PHE  29  -3.777   6.148  -0.916
  214    HZ   PHE  29           HZ       PHE  29  -1.671   7.211  -0.136
  215    HA   PRO  30           HA       PRO  30   1.805  -0.519   1.581
  216   1HB   PRO  30          1HB       PRO  30   2.269  -2.558  -0.214
  217   2HB   PRO  30          2HB       PRO  30   1.345  -2.756   1.284
  218   1HG   PRO  30          2HG       PRO  30   0.352  -2.615  -1.520
  219   2HG   PRO  30          1HG       PRO  30  -0.385  -3.383  -0.104
  220   1HD   PRO  30          1HD       PRO  30  -1.133  -0.888  -1.220
  221   2HD   PRO  30          2HD       PRO  30  -1.638  -1.522   0.361
  222    H    CYS  31           H        CYS  31   0.746   0.601  -1.468
  223    HA   CYS  31           HA       CYS  31   3.491   1.558  -2.082
  224   1HB   CYS  31          1HB       CYS  31   3.177  -0.433  -3.477
  225   2HB   CYS  31          2HB       CYS  31   1.637   0.199  -4.063
  226    H    THR  32           H        THR  32   3.477   3.542  -3.324
  227    HA   THR  32           HA       THR  32   0.973   5.065  -2.963
  228    HB   THR  32           HB       THR  32   2.339   7.029  -3.480
  229    HG1  THR  32           HG1      THR  32   4.515   5.260  -3.805
  230   1HG2  THR  32          1HG2      THR  32   2.564   5.470  -1.257
  231   2HG2  THR  32          2HG2      THR  32   4.247   5.549  -1.777
  232   3HG2  THR  32          3HG2      THR  32   3.357   7.035  -1.444
  233    H    CYS  33           H        CYS  33   0.476   3.231  -4.904
  234    HA   CYS  33           HA       CYS  33   0.506   4.909  -7.373
  235   1HB   CYS  33          2HB       CYS  33   0.941   3.008  -8.762
  236   2HB   CYS  33          1HB       CYS  33   2.144   2.961  -7.474
  237    H    GLY  34           H        GLY  34  -1.481   4.259  -5.144
  238   1HA   GLY  34          2HA       GLY  34  -3.755   3.753  -6.963
  239   2HA   GLY  34          1HA       GLY  34  -3.869   4.340  -5.304
  240    H    TYR  35           H        TYR  35  -2.480   1.436  -6.879
  241    HA   TYR  35           HA       TYR  35  -4.268  -0.498  -6.060
  242   1HB   TYR  35          1HB       TYR  35  -2.439  -1.225  -7.375
  243   2HB   TYR  35          2HB       TYR  35  -1.256  -0.571  -6.244
  244    HD1  TYR  35           HD1      TYR  35  -4.219  -2.894  -6.012
  245    HD2  TYR  35           HD2      TYR  35  -0.083  -2.189  -5.074
  246    HE1  TYR  35           HE1      TYR  35  -4.109  -5.075  -4.841
  247    HE2  TYR  35           HE2      TYR  35   0.021  -4.372  -3.904
  248    HH   TYR  35           HH       TYR  35  -1.140  -6.493  -3.868
  249    H    GLN  36           H        GLN  36  -5.221  -0.098  -4.031
  250    HA   GLN  36           HA       GLN  36  -3.400  -0.215  -1.668
  251   1HB   GLN  36          1HB       GLN  36  -5.730   0.420  -0.531
  252   2HB   GLN  36          2HB       GLN  36  -4.700   1.652  -1.252
  253   1HG   GLN  36          1HG       GLN  36  -6.055   1.900  -3.114
  254   2HG   GLN  36          2HG       GLN  36  -6.702   0.261  -2.991
  255   2HE2  GLN  36          2HE2      GLN  36  -7.058   3.567  -1.813
  256   1HE2  GLN  36          1HE2      GLN  36  -8.504   3.303  -0.963
  257    H    ILE  37           H        ILE  37  -3.925  -1.693   0.049
  258    HA   ILE  37           HA       ILE  37  -5.887  -3.818  -0.690
  259    HB   ILE  37           HB       ILE  37  -4.314  -5.531   0.089
  260   1HG1  ILE  37          1HG1      ILE  37  -2.343  -3.244   0.390
  261   2HG1  ILE  37          2HG1      ILE  37  -3.135  -4.062   1.737
  262   1HG2  ILE  37          1HG2      ILE  37  -4.178  -4.141  -2.283
  263   2HG2  ILE  37          2HG2      ILE  37  -2.508  -4.067  -1.716
  264   3HG2  ILE  37          3HG2      ILE  37  -3.296  -5.629  -1.937
  265   1HD1  ILE  37          1HD1      ILE  37  -1.435  -5.468  -0.340
  266   2HD1  ILE  37          2HD1      ILE  37  -0.843  -4.956   1.240
  267   3HD1  ILE  37          3HD1      ILE  37  -2.111  -6.177   1.126
  268    H    CYS  38           H        CYS  38  -6.025  -5.350   1.417
  269    HA   CYS  38           HA       CYS  38  -6.813  -3.512   3.588
  270   1HB   CYS  38          1HB       CYS  38  -8.109  -5.320   4.445
  271   2HB   CYS  38          2HB       CYS  38  -8.291  -5.403   2.695
  272    H    ARG  39           H        ARG  39  -6.499  -4.994   5.855
  273    HA   ARG  39           HA       ARG  39  -3.593  -4.862   6.257
  274   1HB   ARG  39          1HB       ARG  39  -5.940  -4.667   7.897
  275   2HB   ARG  39          2HB       ARG  39  -4.906  -5.941   8.544
  276   1HG   ARG  39          1HG       ARG  39  -3.244  -4.483   9.119
  277   2HG   ARG  39          2HG       ARG  39  -3.510  -3.466   7.704
  278   1HD   ARG  39          2HD       ARG  39  -4.223  -2.110   9.499
  279   2HD   ARG  39          1HD       ARG  39  -5.724  -2.783   8.864
  280    HE   ARG  39           HE       ARG  39  -5.335  -4.574  10.747
  281   1HH1  ARG  39          1HH1      ARG  39  -3.121  -3.484  12.189
  282   2HH1  ARG  39          2HH1      ARG  39  -3.828  -2.368  13.309
  283   1HH2  ARG  39          1HH2      ARG  39  -6.846  -2.167  11.615
  284   2HH2  ARG  39          2HH2      ARG  39  -5.938  -1.624  12.986
  285    H    PHE  40           H        PHE  40  -6.126  -7.337   6.189
  286    HA   PHE  40           HA       PHE  40  -4.504  -9.533   7.055
  287   1HB   PHE  40          1HB       PHE  40  -7.093  -9.350   6.700
  288   2HB   PHE  40          2HB       PHE  40  -6.725  -9.842   5.048
  289    HD1  PHE  40           HD1      PHE  40  -6.068 -10.800   8.607
  290    HD2  PHE  40           HD2      PHE  40  -6.450 -12.114   4.536
  291    HE1  PHE  40           HE1      PHE  40  -5.889 -13.159   9.352
  292    HE2  PHE  40           HE2      PHE  40  -6.271 -14.473   5.280
  293    HZ   PHE  40           HZ       PHE  40  -5.990 -14.995   7.689
  294    H    CYS  41           H        CYS  41  -4.603  -7.760   4.107
  295    HA   CYS  41           HA       CYS  41  -3.309  -9.910   2.545
  296   1HB   CYS  41          1HB       CYS  41  -4.441  -7.199   1.938
  297   2HB   CYS  41          2HB       CYS  41  -3.241  -7.880   0.841
  298    H    TRP  42           H        TRP  42  -2.572  -6.729   3.924
  299    HA   TRP  42           HA       TRP  42   0.146  -6.658   2.914
  300   1HB   TRP  42          1HB       TRP  42  -1.033  -4.595   3.509
  301   2HB   TRP  42          2HB       TRP  42  -1.192  -5.143   5.177
  302    HD1  TRP  42           HD1      TRP  42   1.441  -3.994   2.643
  303    HE1  TRP  42           HE1      TRP  42   3.525  -3.193   3.932
  304    HE3  TRP  42           HE3      TRP  42   0.103  -5.334   7.378
  305    HZ2  TRP  42           HZ2      TRP  42   4.494  -3.131   6.626
  306    HZ3  TRP  42           HZ3      TRP  42   1.622  -4.897   9.288
  307    HH2  TRP  42           HH2      TRP  42   3.814  -3.799   8.917
  308    H    HIS  43           H        HIS  43  -1.350  -8.462   5.342
  309    HA   HIS  43           HA       HIS  43   0.959  -8.557   7.153
  310   1HB   HIS  43          1HB       HIS  43  -1.805  -9.319   7.255
  311   2HB   HIS  43          2HB       HIS  43  -0.819 -10.734   7.623
  312    HD1  HIS  43           HD1      HIS  43   0.368 -10.784   9.862
  313    HD2  HIS  43           HD2      HIS  43  -1.300  -7.055   9.034
  314    HE1  HIS  43           HE1      HIS  43   0.593  -9.413  11.981
  315    H    ARG  44           H        ARG  44   0.383  -9.828   4.147
  316    HA   ARG  44           HA       ARG  44   2.033 -12.250   4.760
  317   1HB   ARG  44          2HB       ARG  44   0.190 -11.974   2.381
  318   2HB   ARG  44          1HB       ARG  44   0.914 -13.445   3.032
  319   1HG   ARG  44          1HG       ARG  44  -1.018 -11.732   4.611
  320   2HG   ARG  44          2HG       ARG  44  -1.537 -13.092   3.615
  321   1HD   ARG  44          2HD       ARG  44   0.353 -13.183   5.980
  322   2HD   ARG  44          1HD       ARG  44  -1.254 -13.901   5.874
  323    HE   ARG  44           HE       ARG  44   1.170 -14.902   4.473
  324   1HH1  ARG  44          1HH1      ARG  44  -0.619 -15.772   2.596
  325   2HH1  ARG  44          2HH1      ARG  44  -1.461 -17.126   3.274
  326   1HH2  ARG  44          1HH2      ARG  44  -0.582 -16.372   6.542
  327   2HH2  ARG  44          2HH2      ARG  44  -1.440 -17.465   5.508
  328    H    ILE  45           H        ILE  45   1.361  -9.719   2.334
  329    HA   ILE  45           HA       ILE  45   3.530 -10.399   0.593
  330    HB   ILE  45           HB       ILE  45   2.153  -7.741   1.078
  331   1HG1  ILE  45          1HG1      ILE  45   1.798  -9.939  -0.984
  332   2HG1  ILE  45          2HG1      ILE  45   0.629  -9.434   0.237
  333   1HG2  ILE  45          1HG2      ILE  45   4.517  -8.407  -0.448
  334   2HG2  ILE  45          2HG2      ILE  45   3.225  -7.891  -1.531
  335   3HG2  ILE  45          3HG2      ILE  45   3.753  -6.833  -0.222
  336   1HD1  ILE  45          1HD1      ILE  45   0.775  -7.100  -0.854
  337   2HD1  ILE  45          2HD1      ILE  45   1.551  -7.921  -2.207
  338   3HD1  ILE  45          3HD1      ILE  45  -0.095  -8.351  -1.741
  339    H    ARG  46           H        ARG  46   3.311  -8.030   3.261
  340    HA   ARG  46           HA       ARG  46   6.197  -7.478   3.029
  341   1HB   ARG  46          1HB       ARG  46   4.118  -5.901   3.779
  342   2HB   ARG  46          2HB       ARG  46   4.678  -6.449   5.360
  343   1HG   ARG  46          1HG       ARG  46   6.992  -5.814   3.841
  344   2HG   ARG  46          2HG       ARG  46   5.857  -4.479   3.633
  345   1HD   ARG  46          1HD       ARG  46   5.999  -3.847   5.814
  346   2HD   ARG  46          2HD       ARG  46   6.067  -5.511   6.394
  347    HE   ARG  46           HE       ARG  46   8.502  -5.480   5.671
  348   1HH1  ARG  46          1HH1      ARG  46   7.388  -2.498   4.843
  349   2HH1  ARG  46          2HH1      ARG  46   8.488  -1.584   5.821
  350   1HH2  ARG  46          1HH2      ARG  46   9.655  -4.352   7.557
  351   2HH2  ARG  46          2HH2      ARG  46   9.775  -2.636   7.356
  352    H    THR  47           H        THR  47   4.995 -10.153   3.938
  353    HA   THR  47           HA       THR  47   6.482 -10.300   6.532
  354    HB   THR  47           HB       THR  47   4.199 -12.102   5.674
  355    HG1  THR  47           HG1      THR  47   4.198  -9.895   7.454
  356   1HG2  THR  47          1HG2      THR  47   6.157 -12.270   7.716
  357   2HG2  THR  47          2HG2      THR  47   4.638 -11.842   8.505
  358   3HG2  THR  47          3HG2      THR  47   4.733 -13.291   7.505
  359    H    ASP  48           H        ASP  48   5.288 -12.560   4.016
  360    HA   ASP  48           HA       ASP  48   7.823 -14.072   4.266
  361   1HB   ASP  48          1HB       ASP  48   5.111 -14.612   3.138
  362   2HB   ASP  48          2HB       ASP  48   6.475 -15.464   2.417
  363    H    GLU  49           H        GLU  49   5.996 -12.171   1.898
  364    HA   GLU  49           HA       GLU  49   7.803 -12.676  -0.298
  365   1HB   GLU  49          1HB       GLU  49   5.331 -11.498  -0.047
  366   2HB   GLU  49          2HB       GLU  49   6.373 -10.102  -0.323
  367   1HG   GLU  49          1HG       GLU  49   6.419 -10.611  -2.512
  368   2HG   GLU  49          2HG       GLU  49   7.238 -12.121  -2.115
  369    H    ASN  50           H        ASN  50   8.087  -9.784  -1.006
  370    HA   ASN  50           HA       ASN  50  10.422  -9.220   0.773
  371   1HB   ASN  50          1HB       ASN  50   9.862  -8.308  -2.066
  372   2HB   ASN  50          2HB       ASN  50  11.297  -7.891  -1.128
  373   2HD2  ASN  50          2HD2      ASN  50  10.340  -9.966  -3.506
  374   1HD2  ASN  50          1HD2      ASN  50  11.370 -11.277  -3.186
  375    H    GLY  51           H        GLY  51   7.445  -7.914  -0.536
  376   1HA   GLY  51          2HA       GLY  51   7.815  -5.541   1.239
  377   2HA   GLY  51          1HA       GLY  51   6.249  -6.208   0.772
  378    H    LEU  52           H        LEU  52   7.450  -6.543  -2.046
  379    HA   LEU  52           HA       LEU  52   7.687  -3.723  -2.902
  380   1HB   LEU  52          1HB       LEU  52   7.955  -6.379  -4.324
  381   2HB   LEU  52          2HB       LEU  52   7.936  -4.847  -5.199
  382    HG   LEU  52           HG       LEU  52   9.909  -5.700  -3.065
  383   1HD1  LEU  52          1HD1      LEU  52  10.081  -5.140  -6.036
  384   2HD1  LEU  52          2HD1      LEU  52  11.505  -5.237  -4.998
  385   3HD1  LEU  52          3HD1      LEU  52  10.463  -6.645  -5.198
  386   1HD2  LEU  52          1HD2      LEU  52   9.178  -3.035  -4.184
  387   2HD2  LEU  52          2HD2      LEU  52   9.834  -3.445  -2.600
  388   3HD2  LEU  52          3HD2      LEU  52  10.900  -3.375  -4.004
  389    H    CYS  53           H        CYS  53   6.416  -3.304  -5.075
  390    HA   CYS  53           HA       CYS  53   3.566  -3.730  -4.433
  391   1HB   CYS  53          1HB       CYS  53   4.498  -1.481  -5.159
  392   2HB   CYS  53          2HB       CYS  53   4.721  -2.182  -6.762
  393    HA   PRO  54           HA       PRO  54   3.608  -7.071  -7.423
  394   1HB   PRO  54          1HB       PRO  54   1.105  -7.992  -6.766
  395   2HB   PRO  54          2HB       PRO  54   2.564  -8.378  -5.837
  396   1HG   PRO  54          2HG       PRO  54   0.345  -6.514  -5.150
  397   2HG   PRO  54          1HG       PRO  54   1.465  -7.371  -4.077
  398   1HD   PRO  54          1HD       PRO  54   1.625  -4.635  -4.829
  399   2HD   PRO  54          2HD       PRO  54   2.877  -5.569  -3.985
  400    H    ALA  55           H        ALA  55   2.264  -4.153  -7.689
  401    HA   ALA  55           HA       ALA  55   0.569  -4.949 -10.019
  402   1HB   ALA  55          1HB       ALA  55  -0.576  -3.905  -7.907
  403   2HB   ALA  55          3HB       ALA  55  -1.019  -3.310  -9.507
  404   3HB   ALA  55          2HB       ALA  55   0.106  -2.393  -8.506
  405    H    CYS  56           H        CYS  56   2.748  -2.468  -8.662
  406    HA   CYS  56           HA       CYS  56   3.287  -1.641 -11.483
  407   1HB   CYS  56          2HB       CYS  56   3.280   0.615 -10.910
  408   2HB   CYS  56          1HB       CYS  56   2.009  -0.006  -9.862
  409    H    ARG  57           H        ARG  57   4.604  -3.073  -8.770
  410    HA   ARG  57           HA       ARG  57   6.833  -3.673  -8.295
  411   1HB   ARG  57          2HB       ARG  57   7.685  -2.107 -10.735
  412   2HB   ARG  57          1HB       ARG  57   8.460  -3.514 -10.008
  413   1HG   ARG  57          1HG       ARG  57   5.654  -3.797 -11.018
  414   2HG   ARG  57          2HG       ARG  57   6.973  -3.775 -12.186
  415   1HD   ARG  57          1HD       ARG  57   7.856  -5.469 -10.130
  416   2HD   ARG  57          2HD       ARG  57   6.165  -5.900 -10.385
  417    HE   ARG  57           HE       ARG  57   6.740  -6.288 -12.782
  418   1HH1  ARG  57          1HH1      ARG  57   8.966  -5.563 -13.897
  419   2HH1  ARG  57          2HH1      ARG  57  10.271  -6.566 -13.358
  420   1HH2  ARG  57          1HH2      ARG  57   8.557  -7.765 -10.593
  421   2HH2  ARG  57          2HH2      ARG  57  10.038  -7.812 -11.489
  422    H    LYS  58           H        LYS  58   6.517  -2.135  -6.504
  423    HA   LYS  58           HA       LYS  58   8.498   0.044  -6.625
  424   1HB   LYS  58          1HB       LYS  58   5.619   0.493  -6.705
  425   2HB   LYS  58          2HB       LYS  58   6.349   1.234  -5.280
  426   1HG   LYS  58          1HG       LYS  58   8.176   1.907  -7.185
  427   2HG   LYS  58          2HG       LYS  58   6.693   1.907  -8.139
  428   1HD   LYS  58          1HD       LYS  58   5.770   3.238  -6.014
  429   2HD   LYS  58          2HD       LYS  58   7.476   3.659  -5.850
  430   1HE   LYS  58          1HE       LYS  58   7.473   4.399  -8.239
  431   2HE   LYS  58          2HE       LYS  58   5.736   4.097  -8.295
  432   1HZ   LYS  58          1HZ       LYS  58   6.516   5.686  -6.043
  433   2HZ   LYS  58          2HZ       LYS  58   6.927   6.416  -7.521
  434   3HZ   LYS  58          3HZ       LYS  58   5.316   5.975  -7.207
  435    HA   PRO  59           HA       PRO  59   9.107  -1.436  -2.555
  436   1HB   PRO  59          1HB       PRO  59  10.481   0.722  -1.528
  437   2HB   PRO  59          2HB       PRO  59  11.196  -0.458  -2.640
  438   1HG   PRO  59          2HG       PRO  59  10.281   2.332  -3.193
  439   2HG   PRO  59          1HG       PRO  59  11.547   1.388  -3.995
  440   1HD   PRO  59          1HD       PRO  59   8.954   1.831  -5.005
  441   2HD   PRO  59          2HD       PRO  59  10.086   0.584  -5.575
  442    H    TYR  60           H        TYR  60   7.682  -1.490  -0.869
  443    HA   TYR  60           HA       TYR  60   5.555   0.321  -0.502
  444   1HB   TYR  60          1HB       TYR  60   6.905  -1.531   1.482
  445   2HB   TYR  60          2HB       TYR  60   5.400  -0.678   1.816
  446    HD1  TYR  60           HD1      TYR  60   5.216  -1.184  -1.575
  447    HD2  TYR  60           HD2      TYR  60   5.098  -3.440   2.080
  448    HE1  TYR  60           HE1      TYR  60   3.939  -2.972  -2.720
  449    HE2  TYR  60           HE2      TYR  60   3.819  -5.228   0.932
  450    HH   TYR  60           HH       TYR  60   2.454  -4.791  -2.198
  451    HA   PRO  61           HA       PRO  61   7.435   3.737   1.519
  452   1HB   PRO  61          1HB       PRO  61   5.193   4.772   2.728
  453   2HB   PRO  61          2HB       PRO  61   5.533   4.926   0.995
  454   1HG   PRO  61          2HG       PRO  61   3.560   3.165   2.370
  455   2HG   PRO  61          1HG       PRO  61   3.526   3.815   0.723
  456   1HD   PRO  61          1HD       PRO  61   4.248   1.177   1.448
  457   2HD   PRO  61          2HD       PRO  61   4.519   1.940  -0.133
  458    H    GLU  62           H        GLU  62   7.171   4.849   3.875
  459    HA   GLU  62           HA       GLU  62   7.226   4.624   6.223
  460   1HB   GLU  62          1HB       GLU  62   5.495   2.632   5.580
  461   2HB   GLU  62          2HB       GLU  62   6.831   1.692   6.245
  462   1HG   GLU  62          1HG       GLU  62   5.987   4.132   7.742
  463   2HG   GLU  62          2HG       GLU  62   4.932   2.720   7.819
  464    H    ASP  63           H        ASP  63   8.353   1.369   5.246
  465    HA   ASP  63           HA       ASP  63  11.153   2.212   5.638
  466   1HB   ASP  63          1HB       ASP  63  10.379   1.680   7.929
  467   2HB   ASP  63          2HB       ASP  63   9.877   0.081   7.381
  468    HA   PRO  64           HA       PRO  64  10.741  -1.010   2.450
  469   1HB   PRO  64          1HB       PRO  64  12.526   0.198   0.742
  470   2HB   PRO  64          2HB       PRO  64  10.796   0.581   0.786
  471   1HG   PRO  64          2HG       PRO  64  13.099   2.174   1.810
  472   2HG   PRO  64          1HG       PRO  64  11.499   2.725   1.284
  473   1HD   PRO  64          1HD       PRO  64  12.356   2.415   3.970
  474   2HD   PRO  64          2HD       PRO  64  10.684   2.670   3.425
  475    H    ALA  65           H        ALA  65  13.276   0.161   4.413
  476    HA   ALA  65           HA       ALA  65  15.201  -0.921   5.215
  477   1HB   ALA  65          1HB       ALA  65  15.358  -3.300   3.700
  478   2HB   ALA  65          3HB       ALA  65  13.642  -3.040   4.014
  479   3HB   ALA  65          2HB       ALA  65  14.781  -3.130   5.357
  480    H    VAL  66           H        VAL  66  15.247  -2.423   2.013
  481    HA   VAL  66           HA       VAL  66  16.769  -2.175   0.244
  482    HB   VAL  66           HB       VAL  66  17.184   0.680   1.085
  483   1HG1  VAL  66          1HG1      VAL  66  18.014  -0.700  -1.078
  484   2HG1  VAL  66          2HG1      VAL  66  16.434  -0.181  -1.664
  485   3HG1  VAL  66          3HG1      VAL  66  17.618   1.018  -1.145
  486   1HG2  VAL  66          1HG2      VAL  66  14.622  -0.667   0.391
  487   2HG2  VAL  66          2HG2      VAL  66  14.905   0.783   1.355
  488   3HG2  VAL  66          3HG2      VAL  66  14.940   0.874  -0.406
  489    H    TYR  67           H        TYR  67  17.686  -2.499   3.217
  490    HA   TYR  67           HA       TYR  67  19.733  -2.549   4.383
  491   1HB   TYR  67          1HB       TYR  67  20.334  -3.330   1.552
  492   2HB   TYR  67          2HB       TYR  67  21.674  -3.134   2.684
  493    HD1  TYR  67           HD1      TYR  67  21.574  -4.396   4.911
  494    HD2  TYR  67           HD2      TYR  67  18.988  -5.268   1.596
  495    HE1  TYR  67           HE1      TYR  67  21.068  -6.618   5.890
  496    HE2  TYR  67           HE2      TYR  67  18.482  -7.490   2.572
  497    HH   TYR  67           HH       TYR  67  19.090  -8.295   5.713
  498    H    LYS  68           H        LYS  68  19.404  -0.122   4.648
  499    HA   LYS  68           HA       LYS  68  21.884   1.242   4.030
  500   1HB   LYS  68          1HB       LYS  68  20.371   1.397   1.894
  501   2HB   LYS  68          2HB       LYS  68  19.459   2.572   2.839
  502   1HG   LYS  68          1HG       LYS  68  21.625   3.795   3.263
  503   2HG   LYS  68          2HG       LYS  68  22.399   2.700   2.118
  504   1HD   LYS  68          1HD       LYS  68  20.091   3.597   0.800
  505   2HD   LYS  68          2HD       LYS  68  20.749   5.031   1.589
  506   1HE   LYS  68          1HE       LYS  68  22.866   3.440   0.401
  507   2HE   LYS  68          2HE       LYS  68  21.652   3.874  -0.802
  508   1HZ   LYS  68          1HZ       LYS  68  22.328   6.027   0.978
  509   2HZ   LYS  68          2HZ       LYS  68  23.647   5.484   0.055
  510   3HZ   LYS  68          3HZ       LYS  68  22.232   6.010  -0.718
  511    HA   PRO  69           HA       PRO  69  19.650   2.645   7.764
  512   1HB   PRO  69          1HB       PRO  69  21.869   2.505   9.384
  513   2HB   PRO  69          2HB       PRO  69  20.780   1.139   9.087
  514   1HG   PRO  69          2HG       PRO  69  23.516   1.629   8.001
  515   2HG   PRO  69          1HG       PRO  69  22.675   0.093   8.275
  516   1HD   PRO  69          1HD       PRO  69  22.987   1.379   5.776
  517   2HD   PRO  69          2HD       PRO  69  21.861   0.050   6.129
  518    H    LEU  70           H        LEU  70  19.372   4.834   7.626
  519    HA   LEU  70           HA       LEU  70  21.436   6.675   8.363
  520   1HB   LEU  70          1HB       LEU  70  21.825   5.898   5.797
  521   2HB   LEU  70          2HB       LEU  70  20.698   7.230   5.540
  522    HG   LEU  70           HG       LEU  70  22.684   7.973   7.508
  523   1HD1  LEU  70          1HD1      LEU  70  23.711   7.086   4.794
  524   2HD1  LEU  70          2HD1      LEU  70  24.639   7.997   5.984
  525   3HD1  LEU  70          3HD1      LEU  70  24.120   6.351   6.344
  526   1HD2  LEU  70          1HD2      LEU  70  21.138   9.160   5.555
  527   2HD2  LEU  70          2HD2      LEU  70  22.448   9.959   6.426
  528   3HD2  LEU  70          3HD2      LEU  70  22.752   9.231   4.847
  529    H    SER  71           H        SER  71  20.514   8.696   8.825
  530    HA   SER  71           HA       SER  71  17.760   9.216   7.835
  531   1HB   SER  71          1HB       SER  71  18.585   8.992  10.734
  532   2HB   SER  71          2HB       SER  71  17.157   9.894  10.235
  533    HG   SER  71           HG       SER  71  16.420   7.969   9.221
  534    H    GLN  72           H        GLN  72  20.015  10.516   6.948
  535    HA   GLN  72           HA       GLN  72  19.449  13.232   7.240
  536   1HB   GLN  72          1HB       GLN  72  21.414  13.892   8.767
  537   2HB   GLN  72          2HB       GLN  72  19.986  13.223   9.558
  538   1HG   GLN  72          1HG       GLN  72  21.018  11.060   9.768
  539   2HG   GLN  72          2HG       GLN  72  22.369  11.542   8.742
  540   2HE2  GLN  72          2HE2      GLN  72  23.500  10.754  10.911
  541   1HE2  GLN  72          1HE2      GLN  72  23.796  11.968  12.059
  542    H    GLU  73           H        GLU  73  20.186  13.537   5.165
  543    HA   GLU  73           HA       GLU  73  23.004  12.722   4.591
  544   1HB   GLU  73          1HB       GLU  73  21.330  11.612   3.164
  545   2HB   GLU  73          2HB       GLU  73  20.701  13.182   2.667
  546   1HG   GLU  73          1HG       GLU  73  22.778  13.753   1.583
  547   2HG   GLU  73          2HG       GLU  73  23.580  12.333   2.259
  548    H    GLU  74           H        GLU  74  21.339  14.891   2.433
  549    HA   GLU  74           HA       GLU  74  21.978  17.057   1.766
  550   1HB   GLU  74          2HB       GLU  74  21.964  17.427   4.779
  551   2HB   GLU  74          1HB       GLU  74  21.831  18.712   3.578
  552   1HG   GLU  74          1HG       GLU  74  19.872  16.419   3.915
  553   2HG   GLU  74          2HG       GLU  74  19.608  18.077   4.455
  554    H    LEU  75           H        LEU  75  24.134  16.086   1.117
  555    HA   LEU  75           HA       LEU  75  26.295  17.401   2.698
  556   1HB   LEU  75          1HB       LEU  75  25.953  14.549   2.146
  557   2HB   LEU  75          2HB       LEU  75  27.511  15.162   1.586
  558    HG   LEU  75           HG       LEU  75  26.407  15.670   4.363
  559   1HD1  LEU  75          1HD1      LEU  75  28.025  13.428   3.223
  560   2HD1  LEU  75          2HD1      LEU  75  28.454  14.021   4.828
  561   3HD1  LEU  75          3HD1      LEU  75  26.832  13.403   4.520
  562   1HD2  LEU  75          1HD2      LEU  75  28.067  17.305   3.475
  563   2HD2  LEU  75          2HD2      LEU  75  28.705  16.383   4.835
  564   3HD2  LEU  75          3HD2      LEU  75  29.192  15.977   3.189
  565    H    GLN  76           H        GLN  76  28.046  18.163   1.425
  566    HA   GLN  76           HA       GLN  76  27.494  18.186  -1.516
  567   1HB   GLN  76          1HB       GLN  76  28.231  20.288   0.410
  568   2HB   GLN  76          2HB       GLN  76  29.212  20.291  -1.056
  569   1HG   GLN  76          1HG       GLN  76  26.394  19.867  -1.660
  570   2HG   GLN  76          2HG       GLN  76  26.651  21.377  -0.784
  571   2HE2  GLN  76          2HE2      GLN  76  28.155  19.543  -3.513
  572   1HE2  GLN  76          1HE2      GLN  76  28.498  20.922  -4.439
  573    H    ARG  77           H        ARG  77  28.769  16.276  -1.885
  574    HA   ARG  77           HA       ARG  77  31.646  16.456  -1.159
  575   1HB   ARG  77          2HB       ARG  77  31.780  14.119  -1.619
  576   2HB   ARG  77          1HB       ARG  77  30.260  14.343  -0.756
  577   1HG   ARG  77          1HG       ARG  77  29.000  14.275  -2.819
  578   2HG   ARG  77          2HG       ARG  77  30.483  14.273  -3.775
  579   1HD   ARG  77          1HD       ARG  77  31.072  12.117  -2.443
  580   2HD   ARG  77          2HD       ARG  77  29.352  12.075  -2.056
  581    HE   ARG  77           HE       ARG  77  29.957  12.369  -4.916
  582   1HH1  ARG  77          1HH1      ARG  77  27.524  11.085  -3.501
  583   2HH1  ARG  77          2HH1      ARG  77  27.762   9.422  -3.921
  584   1HH2  ARG  77          1HH2      ARG  77  31.053   9.869  -4.919
  585   2HH2  ARG  77          2HH2      ARG  77  29.760   8.733  -4.724
  586    H    ILE  78           H        ILE  78  29.967  17.791  -3.480
  587    HA   ILE  78           HA       ILE  78  30.308  18.273  -5.763
  588    HB   ILE  78           HB       ILE  78  33.211  17.840  -5.021
  589   1HG1  ILE  78          1HG1      ILE  78  32.002  19.183  -3.292
  590   2HG1  ILE  78          2HG1      ILE  78  33.205  20.130  -4.168
  591   1HG2  ILE  78          1HG2      ILE  78  32.013  18.617  -7.395
  592   2HG2  ILE  78          2HG2      ILE  78  32.423  20.156  -6.638
  593   3HG2  ILE  78          3HG2      ILE  78  33.681  18.955  -6.934
  594   1HD1  ILE  78          1HD1      ILE  78  30.850  20.344  -5.688
  595   2HD1  ILE  78          2HD1      ILE  78  30.339  20.527  -4.010
  596   3HD1  ILE  78          3HD1      ILE  78  31.573  21.595  -4.677

  No H/Q in entry =         596
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1 -26.842 -11.145   3.949
    2    H2   MET   1           H2       MET   1 -28.187 -11.608   4.880
    3    H3   MET   1           H3       MET   1 -27.869 -12.377   3.399
    4    HA   MET   1           HA       MET   1 -29.071 -10.895   2.306
    5   1HB   MET   1          2HB       MET   1 -30.483  -9.381   3.572
    6   2HB   MET   1          1HB       MET   1 -30.340 -10.889   4.478
    7   1HG   MET   1          1HG       MET   1 -28.525  -9.872   5.839
    8   2HG   MET   1          2HG       MET   1 -28.747  -8.353   4.967
    9   1HE   MET   1          1HE       MET   1 -28.703  -8.996   7.912
   10   2HE   MET   1          2HE       MET   1 -29.220  -7.314   7.733
   11   3HE   MET   1          3HE       MET   1 -30.131  -8.417   8.763
   12    H    SER   2           H        SER   2 -28.852  -8.897   1.197
   13    HA   SER   2           HA       SER   2 -27.363  -6.655   2.120
   14   1HB   SER   2          1HB       SER   2 -25.550  -8.507   1.939
   15   2HB   SER   2          2HB       SER   2 -25.721  -8.301   0.199
   16    HG   SER   2           HG       SER   2 -24.424  -6.762   1.981
   17    H    ARG   3           H        ARG   3 -28.359  -8.652  -0.608
   18    HA   ARG   3           HA       ARG   3 -29.561  -7.971  -2.527
   19   1HB   ARG   3          1HB       ARG   3 -30.243  -5.981  -1.005
   20   2HB   ARG   3          2HB       ARG   3 -28.976  -5.092  -1.852
   21   1HG   ARG   3          1HG       ARG   3 -30.043  -5.387  -3.965
   22   2HG   ARG   3          2HG       ARG   3 -31.143  -6.606  -3.319
   23   1HD   ARG   3          1HD       ARG   3 -32.034  -4.789  -1.763
   24   2HD   ARG   3          2HD       ARG   3 -31.129  -3.636  -2.746
   25    HE   ARG   3           HE       ARG   3 -32.977  -5.421  -4.203
   26   1HH1  ARG   3          1HH1      ARG   3 -32.412  -3.210  -5.774
   27   2HH1  ARG   3          2HH1      ARG   3 -33.569  -1.992  -5.349
   28   1HH2  ARG   3          1HH2      ARG   3 -34.433  -3.491  -2.343
   29   2HH2  ARG   3          2HH2      ARG   3 -34.716  -2.154  -3.407
   30    H    SER   4           H        SER   4 -27.148  -5.353  -2.158
   31    HA   SER   4           HA       SER   4 -25.129  -6.459  -3.776
   32   1HB   SER   4          1HB       SER   4 -26.106  -6.499  -5.817
   33   2HB   SER   4          2HB       SER   4 -27.463  -5.519  -5.271
   34    HG   SER   4           HG       SER   4 -26.522  -4.040  -6.442
   35    HA   PRO   5           HA       PRO   5 -24.565  -1.724  -3.609
   36   1HB   PRO   5          1HB       PRO   5 -26.733  -0.196  -2.885
   37   2HB   PRO   5          2HB       PRO   5 -26.357  -0.624  -4.562
   38   1HG   PRO   5          2HG       PRO   5 -28.480  -1.724  -2.774
   39   2HG   PRO   5          1HG       PRO   5 -28.452  -1.603  -4.541
   40   1HD   PRO   5          1HD       PRO   5 -27.955  -3.946  -3.049
   41   2HD   PRO   5          2HD       PRO   5 -27.576  -3.706  -4.767
   42    H    ASP   6           H        ASP   6 -25.065   0.136  -1.658
   43    HA   ASP   6           HA       ASP   6 -25.759  -0.948   0.911
   44   1HB   ASP   6          1HB       ASP   6 -23.372  -1.955   0.100
   45   2HB   ASP   6          2HB       ASP   6 -22.832  -0.473   0.890
   46    H    ALA   7           H        ALA   7 -26.173   0.769   2.219
   47    HA   ALA   7           HA       ALA   7 -25.005   3.406   1.429
   48   1HB   ALA   7          1HB       ALA   7 -27.684   2.552   2.162
   49   2HB   ALA   7          3HB       ALA   7 -27.122   3.843   3.224
   50   3HB   ALA   7          2HB       ALA   7 -27.156   4.090   1.478
   51    H    LYS   8           H        LYS   8 -25.614   4.756   3.845
   52    HA   LYS   8           HA       LYS   8 -24.551   5.208   5.894
   53   1HB   LYS   8          1HB       LYS   8 -24.462   2.289   6.520
   54   2HB   LYS   8          2HB       LYS   8 -24.995   3.635   7.526
   55   1HG   LYS   8          1HG       LYS   8 -26.952   3.847   5.832
   56   2HG   LYS   8          2HG       LYS   8 -26.503   2.215   5.335
   57   1HD   LYS   8          1HD       LYS   8 -27.093   3.005   8.201
   58   2HD   LYS   8          2HD       LYS   8 -28.278   2.276   7.117
   59   1HE   LYS   8          1HE       LYS   8 -26.768   0.327   6.812
   60   2HE   LYS   8          2HE       LYS   8 -25.635   1.047   7.957
   61   1HZ   LYS   8          1HZ       LYS   8 -28.380   0.839   8.868
   62   2HZ   LYS   8          2HZ       LYS   8 -27.574  -0.641   8.653
   63   3HZ   LYS   8          3HZ       LYS   8 -26.934   0.534   9.699
   64    H    GLU   9           H        GLU   9 -22.590   5.618   4.442
   65    HA   GLU   9           HA       GLU   9 -20.231   5.514   4.376
   66   1HB   GLU   9          1HB       GLU   9 -20.891   4.065   6.712
   67   2HB   GLU   9          2HB       GLU   9 -19.771   3.046   5.806
   68   1HG   GLU   9          1HG       GLU   9 -18.029   4.426   6.221
   69   2HG   GLU   9          2HG       GLU   9 -18.971   5.858   5.804
   70    H    ASP  10           H        ASP  10 -18.782   4.432   2.966
   71    HA   ASP  10           HA       ASP  10 -19.676   1.815   1.873
   72   1HB   ASP  10          1HB       ASP  10 -19.296   2.686  -0.447
   73   2HB   ASP  10          2HB       ASP  10 -20.657   3.456   0.369
   74    HA   PRO  11           HA       PRO  11 -15.173   1.776   2.504
   75   1HB   PRO  11          1HB       PRO  11 -15.122  -0.856   3.296
   76   2HB   PRO  11          2HB       PRO  11 -15.438   0.493   4.401
   77   1HG   PRO  11          2HG       PRO  11 -17.352  -1.498   3.274
   78   2HG   PRO  11          1HG       PRO  11 -17.448  -0.580   4.786
   79   1HD   PRO  11          1HD       PRO  11 -18.850   0.005   2.397
   80   2HD   PRO  11          2HD       PRO  11 -18.679   1.083   3.799
   81    H    VAL  12           H        VAL  12 -14.027   1.540   0.612
   82    HA   VAL  12           HA       VAL  12 -14.894   0.109  -1.664
   83    HB   VAL  12           HB       VAL  12 -12.013   0.659  -0.889
   84   1HG1  VAL  12          1HG1      VAL  12 -13.275  -0.546  -3.179
   85   2HG1  VAL  12          2HG1      VAL  12 -12.532   0.980  -3.661
   86   3HG1  VAL  12          3HG1      VAL  12 -11.557  -0.270  -2.888
   87   1HG2  VAL  12          1HG2      VAL  12 -14.237   2.414  -1.814
   88   2HG2  VAL  12          2HG2      VAL  12 -12.832   2.808  -0.823
   89   3HG2  VAL  12          3HG2      VAL  12 -12.664   2.664  -2.572
   90    H    GLU  13           H        GLU  13 -14.414  -1.980  -2.447
   91    HA   GLU  13           HA       GLU  13 -13.907  -3.984  -0.380
   92   1HB   GLU  13          2HB       GLU  13 -14.249  -4.316  -3.377
   93   2HB   GLU  13          1HB       GLU  13 -14.324  -5.604  -2.173
   94   1HG   GLU  13          1HG       GLU  13 -16.124  -3.760  -1.183
   95   2HG   GLU  13          2HG       GLU  13 -16.365  -3.632  -2.926
   96    H    CYS  14           H        CYS  14 -11.888  -4.654   0.168
   97    HA   CYS  14           HA       CYS  14  -9.477  -3.787  -0.860
   98   1HB   CYS  14          1HB       CYS  14  -9.588  -5.178   1.155
   99   2HB   CYS  14          2HB       CYS  14 -10.081  -6.569   0.189
  100    HA   PRO  15           HA       PRO  15  -9.676  -5.648  -4.934
  101   1HB   PRO  15          1HB       PRO  15  -7.494  -4.294  -5.910
  102   2HB   PRO  15          2HB       PRO  15  -9.112  -3.582  -5.789
  103   1HG   PRO  15          2HG       PRO  15  -6.711  -3.079  -4.096
  104   2HG   PRO  15          1HG       PRO  15  -8.092  -2.021  -4.426
  105   1HD   PRO  15          1HD       PRO  15  -7.680  -3.543  -2.067
  106   2HD   PRO  15          2HD       PRO  15  -9.183  -2.720  -2.538
  107    H    LEU  16           H        LEU  16  -8.151  -6.876  -2.582
  108    HA   LEU  16           HA       LEU  16  -6.113  -8.294  -4.224
  109   1HB   LEU  16          1HB       LEU  16  -5.531  -6.514  -2.138
  110   2HB   LEU  16          2HB       LEU  16  -5.380  -8.113  -1.420
  111    HG   LEU  16           HG       LEU  16  -3.245  -7.447  -2.368
  112   1HD1  LEU  16          1HD1      LEU  16  -4.646  -9.537  -4.057
  113   2HD1  LEU  16          2HD1      LEU  16  -2.898  -9.350  -3.913
  114   3HD1  LEU  16          3HD1      LEU  16  -3.853  -9.822  -2.506
  115   1HD2  LEU  16          1HD2      LEU  16  -4.974  -6.544  -4.546
  116   2HD2  LEU  16          2HD2      LEU  16  -3.327  -6.050  -4.152
  117   3HD2  LEU  16          3HD2      LEU  16  -3.607  -7.492  -5.129
  118    H    CYS  17           H        CYS  17  -8.160  -8.292  -1.317
  119    HA   CYS  17           HA       CYS  17  -8.293 -11.271  -1.557
  120   1HB   CYS  17          1HB       CYS  17  -8.360 -11.499   0.826
  121   2HB   CYS  17          2HB       CYS  17  -7.005 -10.428   0.472
  122    H    MET  18           H        MET  18  -9.952  -8.362  -1.668
  123    HA   MET  18           HA       MET  18 -12.205  -8.048  -2.219
  124   1HB   MET  18          2HB       MET  18 -12.868 -10.775  -1.122
  125   2HB   MET  18          1HB       MET  18 -13.736  -9.839  -2.340
  126   1HG   MET  18          1HG       MET  18 -11.102 -10.162  -3.324
  127   2HG   MET  18          2HG       MET  18 -11.599 -11.741  -2.713
  128   1HE   MET  18          1HE       MET  18 -10.820 -10.501  -5.384
  129   2HE   MET  18          2HE       MET  18 -11.379 -12.078  -5.935
  130   3HE   MET  18          3HE       MET  18 -12.021 -10.603  -6.670
  131    H    GLU  19           H        GLU  19 -11.243  -9.391   0.884
  132    HA   GLU  19           HA       GLU  19 -13.395  -9.026   2.541
  133   1HB   GLU  19          1HB       GLU  19 -10.525  -8.191   2.964
  134   2HB   GLU  19          2HB       GLU  19 -11.734  -8.008   4.231
  135   1HG   GLU  19          1HG       GLU  19 -12.287 -10.513   3.707
  136   2HG   GLU  19          2HG       GLU  19 -10.675 -10.530   2.990
  137    HA   PRO  20           HA       PRO  20 -14.680  -4.834   2.364
  138   1HB   PRO  20          1HB       PRO  20 -15.628  -4.527   4.928
  139   2HB   PRO  20          2HB       PRO  20 -16.477  -5.450   3.674
  140   1HG   PRO  20          2HG       PRO  20 -14.925  -6.449   6.020
  141   2HG   PRO  20          1HG       PRO  20 -16.265  -7.217   5.151
  142   1HD   PRO  20          1HD       PRO  20 -13.527  -7.860   4.858
  143   2HD   PRO  20          2HD       PRO  20 -14.835  -8.351   3.761
  144    H    LEU  21           H        LEU  21 -13.223  -3.156   2.319
  145    HA   LEU  21           HA       LEU  21 -11.001  -2.927   4.129
  146   1HB   LEU  21          1HB       LEU  21 -12.252  -1.090   2.098
  147   2HB   LEU  21          2HB       LEU  21 -10.961  -0.515   3.148
  148    HG   LEU  21           HG       LEU  21 -10.652  -3.089   1.617
  149   1HD1  LEU  21          1HD1      LEU  21 -10.550  -0.287   0.603
  150   2HD1  LEU  21          2HD1      LEU  21  -9.265  -1.376   0.081
  151   3HD1  LEU  21          3HD1      LEU  21 -10.950  -1.777  -0.253
  152   1HD2  LEU  21          1HD2      LEU  21  -9.118  -2.234   3.534
  153   2HD2  LEU  21          2HD2      LEU  21  -8.352  -2.774   2.040
  154   3HD2  LEU  21          3HD2      LEU  21  -8.555  -1.050   2.353
  155    H    GLU  22           H        GLU  22 -10.720  -0.669   5.302
  156    HA   GLU  22           HA       GLU  22 -13.209  -0.187   6.888
  157   1HB   GLU  22          1HB       GLU  22 -10.566  -0.941   7.724
  158   2HB   GLU  22          2HB       GLU  22 -10.912   0.674   8.338
  159   1HG   GLU  22          1HG       GLU  22 -13.273  -0.888   8.666
  160   2HG   GLU  22          2HG       GLU  22 -11.919  -1.835   9.285
  161    H    ILE  23           H        ILE  23 -12.093   2.104   8.252
  162    HA   ILE  23           HA       ILE  23 -12.392   4.065   6.064
  163    HB   ILE  23           HB       ILE  23 -12.201   4.407   9.071
  164   1HG1  ILE  23          2HG1      ILE  23 -14.271   3.337   8.456
  165   2HG1  ILE  23          1HG1      ILE  23 -14.639   5.039   8.745
  166   1HG2  ILE  23          1HG2      ILE  23 -11.356   6.366   7.770
  167   2HG2  ILE  23          2HG2      ILE  23 -12.905   6.438   6.931
  168   3HG2  ILE  23          3HG2      ILE  23 -12.829   6.729   8.670
  169   1HD1  ILE  23          1HD1      ILE  23 -14.307   5.395   6.238
  170   2HD1  ILE  23          2HD1      ILE  23 -14.314   3.637   6.084
  171   3HD1  ILE  23          3HD1      ILE  23 -15.739   4.475   6.700
  172    H    ASP  24           H        ASP  24 -10.119   3.625   8.802
  173    HA   ASP  24           HA       ASP  24  -8.156   5.382   7.551
  174   1HB   ASP  24          1HB       ASP  24  -8.567   4.797  10.104
  175   2HB   ASP  24          2HB       ASP  24  -7.431   3.492   9.757
  176    H    ASP  25           H        ASP  25  -9.101   2.367   6.719
  177    HA   ASP  25           HA       ASP  25  -6.357   1.347   6.192
  178   1HB   ASP  25          1HB       ASP  25  -9.071   0.037   5.828
  179   2HB   ASP  25          2HB       ASP  25  -7.518  -0.745   5.530
  180    H    ILE  26           H        ILE  26  -8.983   2.942   4.652
  181    HA   ILE  26           HA       ILE  26  -8.570   2.015   1.964
  182    HB   ILE  26           HB       ILE  26  -9.833   4.476   3.170
  183   1HG1  ILE  26          1HG1      ILE  26 -11.121   2.456   1.354
  184   2HG1  ILE  26          2HG1      ILE  26 -10.835   2.046   3.046
  185   1HG2  ILE  26          1HG2      ILE  26  -8.961   4.038   0.381
  186   2HG2  ILE  26          2HG2      ILE  26 -10.644   4.533   0.565
  187   3HG2  ILE  26          3HG2      ILE  26  -9.352   5.540   1.216
  188   1HD1  ILE  26          1HD1      ILE  26 -11.990   4.259   3.624
  189   2HD1  ILE  26          2HD1      ILE  26 -12.509   4.307   1.940
  190   3HD1  ILE  26          3HD1      ILE  26 -13.026   2.984   2.983
  191    H    ASN  27           H        ASN  27  -7.995   5.412   2.796
  192    HA   ASN  27           HA       ASN  27  -6.050   5.969   0.902
  193   1HB   ASN  27          1HB       ASN  27  -6.776   7.077   3.528
  194   2HB   ASN  27          2HB       ASN  27  -5.098   7.379   3.075
  195   2HD2  ASN  27          2HD2      ASN  27  -7.795   9.054   3.028
  196   1HD2  ASN  27          1HD2      ASN  27  -7.723   9.804   1.508
  197    H    PHE  28           H        PHE  28  -5.646   4.135   3.875
  198    HA   PHE  28           HA       PHE  28  -2.752   4.176   3.843
  199   1HB   PHE  28          1HB       PHE  28  -3.815   3.618   5.919
  200   2HB   PHE  28          2HB       PHE  28  -4.764   2.338   5.163
  201    HD1  PHE  28           HD1      PHE  28  -1.413   3.323   6.351
  202    HD2  PHE  28           HD2      PHE  28  -3.762   0.197   4.575
  203    HE1  PHE  28           HE1      PHE  28   0.407   1.698   6.799
  204    HE2  PHE  28           HE2      PHE  28  -1.942  -1.428   5.023
  205    HZ   PHE  28           HZ       PHE  28   0.143  -0.676   6.134
  206    H    PHE  29           H        PHE  29  -1.826   3.473   1.948
  207    HA   PHE  29           HA       PHE  29  -2.566   0.717   1.044
  208   1HB   PHE  29          1HB       PHE  29  -1.604   1.677  -1.232
  209   2HB   PHE  29          2HB       PHE  29  -3.286   1.964  -0.785
  210    HD1  PHE  29           HD1      PHE  29   0.106   3.461  -0.110
  211    HD2  PHE  29           HD2      PHE  29  -4.058   4.143  -0.958
  212    HE1  PHE  29           HE1      PHE  29   0.498   5.913  -0.111
  213    HE2  PHE  29           HE2      PHE  29  -3.667   6.588  -0.945
  214    HZ   PHE  29           HZ       PHE  29  -1.385   7.475  -0.529
  215    HA   PRO  30           HA       PRO  30   1.715  -0.148   1.488
  216   1HB   PRO  30          1HB       PRO  30   1.905  -2.247  -0.273
  217   2HB   PRO  30          2HB       PRO  30   1.141  -2.379   1.320
  218   1HG   PRO  30          2HG       PRO  30  -0.137  -2.268  -1.369
  219   2HG   PRO  30          1HG       PRO  30  -0.744  -2.981   0.133
  220   1HD   PRO  30          1HD       PRO  30  -1.527  -0.486  -0.961
  221   2HD   PRO  30          2HD       PRO  30  -1.891  -1.075   0.674
  222    H    CYS  31           H        CYS  31   0.386   1.160  -1.315
  223    HA   CYS  31           HA       CYS  31   3.080   1.807  -2.353
  224   1HB   CYS  31          1HB       CYS  31   2.033  -0.303  -3.498
  225   2HB   CYS  31          2HB       CYS  31   0.995   0.871  -4.306
  226    H    THR  32           H        THR  32   3.080   3.752  -3.604
  227    HA   THR  32           HA       THR  32   0.794   5.504  -3.029
  228    HB   THR  32           HB       THR  32   3.251   6.200  -2.888
  229    HG1  THR  32           HG1      THR  32   2.439   8.113  -3.061
  230   1HG2  THR  32          1HG2      THR  32   3.345   5.171  -5.447
  231   2HG2  THR  32          2HG2      THR  32   3.267   6.909  -5.735
  232   3HG2  THR  32          3HG2      THR  32   4.557   6.238  -4.737
  233    H    CYS  33           H        CYS  33   1.958   3.609  -5.694
  234    HA   CYS  33           HA       CYS  33   0.949   5.019  -7.904
  235   1HB   CYS  33          1HB       CYS  33   0.884   2.931  -9.079
  236   2HB   CYS  33          2HB       CYS  33   2.226   2.819  -7.943
  237    H    GLY  34           H        GLY  34  -0.776   3.505  -5.308
  238   1HA   GLY  34          2HA       GLY  34  -3.331   4.001  -6.788
  239   2HA   GLY  34          1HA       GLY  34  -3.123   4.437  -5.092
  240    H    TYR  35           H        TYR  35  -2.154   1.435  -6.790
  241    HA   TYR  35           HA       TYR  35  -4.241  -0.248  -6.078
  242   1HB   TYR  35          1HB       TYR  35  -1.860  -0.715  -7.215
  243   2HB   TYR  35          2HB       TYR  35  -1.497  -1.324  -5.599
  244    HD1  TYR  35           HD1      TYR  35  -4.586  -1.351  -7.721
  245    HD2  TYR  35           HD2      TYR  35  -1.685  -3.666  -5.555
  246    HE1  TYR  35           HE1      TYR  35  -5.861  -3.417  -8.224
  247    HE2  TYR  35           HE2      TYR  35  -2.959  -5.731  -6.062
  248    HH   TYR  35           HH       TYR  35  -4.573  -6.568  -7.601
  249    H    GLN  36           H        GLN  36  -5.183   0.239  -4.081
  250    HA   GLN  36           HA       GLN  36  -3.467   0.020  -1.662
  251   1HB   GLN  36          1HB       GLN  36  -4.864   2.009  -1.757
  252   2HB   GLN  36          2HB       GLN  36  -6.298   1.029  -2.057
  253   1HG   GLN  36          1HG       GLN  36  -5.196  -0.073   0.261
  254   2HG   GLN  36          2HG       GLN  36  -5.006   1.668   0.474
  255   2HE2  GLN  36          2HE2      GLN  36  -7.220   2.813  -0.574
  256   1HE2  GLN  36          1HE2      GLN  36  -8.644   2.187   0.105
  257    H    ILE  37           H        ILE  37  -3.773  -1.605  -0.164
  258    HA   ILE  37           HA       ILE  37  -5.913  -3.602  -0.785
  259    HB   ILE  37           HB       ILE  37  -4.441  -5.365  -0.066
  260   1HG1  ILE  37          1HG1      ILE  37  -2.628  -3.092   0.787
  261   2HG1  ILE  37          2HG1      ILE  37  -3.349  -4.334   1.812
  262   1HG2  ILE  37          1HG2      ILE  37  -4.037  -3.975  -2.338
  263   2HG2  ILE  37          2HG2      ILE  37  -2.456  -3.753  -1.587
  264   3HG2  ILE  37          3HG2      ILE  37  -3.063  -5.379  -1.901
  265   1HD1  ILE  37          1HD1      ILE  37  -2.031  -6.065   0.638
  266   2HD1  ILE  37          2HD1      ILE  37  -1.298  -4.819  -0.371
  267   3HD1  ILE  37          3HD1      ILE  37  -0.983  -4.850   1.365
  268    H    CYS  38           H        CYS  38  -6.076  -5.064   1.400
  269    HA   CYS  38           HA       CYS  38  -6.842  -3.112   3.478
  270   1HB   CYS  38          1HB       CYS  38  -8.168  -4.857   4.414
  271   2HB   CYS  38          2HB       CYS  38  -8.346  -5.023   2.668
  272    H    ARG  39           H        ARG  39  -6.336  -3.817   5.826
  273    HA   ARG  39           HA       ARG  39  -3.478  -4.046   6.104
  274   1HB   ARG  39          1HB       ARG  39  -5.652  -3.386   7.784
  275   2HB   ARG  39          2HB       ARG  39  -4.865  -4.778   8.531
  276   1HG   ARG  39          1HG       ARG  39  -2.925  -3.633   8.943
  277   2HG   ARG  39          2HG       ARG  39  -3.061  -2.668   7.473
  278   1HD   ARG  39          1HD       ARG  39  -3.362  -1.286   9.510
  279   2HD   ARG  39          2HD       ARG  39  -4.812  -1.298   8.506
  280    HE   ARG  39           HE       ARG  39  -5.801  -2.904  10.119
  281   1HH1  ARG  39          1HH1      ARG  39  -2.847  -3.321  11.208
  282   2HH1  ARG  39          2HH1      ARG  39  -3.057  -2.676  12.802
  283   1HH2  ARG  39          1HH2      ARG  39  -6.103  -1.184  12.084
  284   2HH2  ARG  39          2HH2      ARG  39  -4.898  -1.463  13.297
  285    H    PHE  40           H        PHE  40  -6.073  -6.380   5.999
  286    HA   PHE  40           HA       PHE  40  -4.576  -8.545   7.220
  287   1HB   PHE  40          1HB       PHE  40  -7.029  -8.478   5.443
  288   2HB   PHE  40          2HB       PHE  40  -6.343  -9.977   6.068
  289    HD1  PHE  40           HD1      PHE  40  -6.074 -10.233   8.596
  290    HD2  PHE  40           HD2      PHE  40  -8.420  -7.119   6.793
  291    HE1  PHE  40           HE1      PHE  40  -7.252  -9.875  10.749
  292    HE2  PHE  40           HE2      PHE  40  -9.597  -6.759   8.946
  293    HZ   PHE  40           HZ       PHE  40  -9.013  -8.137  10.924
  294    H    CYS  41           H        CYS  41  -4.586  -7.038   4.124
  295    HA   CYS  41           HA       CYS  41  -3.344  -9.363   2.787
  296   1HB   CYS  41          1HB       CYS  41  -4.387  -6.692   1.916
  297   2HB   CYS  41          2HB       CYS  41  -3.181  -7.493   0.910
  298    H    TRP  42           H        TRP  42  -2.492  -6.086   3.867
  299    HA   TRP  42           HA       TRP  42   0.227  -6.206   2.885
  300   1HB   TRP  42          1HB       TRP  42  -0.729  -4.037   3.277
  301   2HB   TRP  42          2HB       TRP  42  -1.143  -4.453   4.939
  302    HD1  TRP  42           HD1      TRP  42   1.805  -3.494   2.727
  303    HE1  TRP  42           HE1      TRP  42   3.813  -2.885   4.227
  304    HE3  TRP  42           HE3      TRP  42  -0.050  -4.869   7.277
  305    HZ2  TRP  42           HZ2      TRP  42   4.534  -2.969   6.996
  306    HZ3  TRP  42           HZ3      TRP  42   1.314  -4.595   9.327
  307    HH2  TRP  42           HH2      TRP  42   3.602  -3.648   9.194
  308    H    HIS  43           H        HIS  43  -1.343  -7.656   5.547
  309    HA   HIS  43           HA       HIS  43   1.078  -7.770   7.221
  310   1HB   HIS  43          1HB       HIS  43  -1.725  -8.126   7.634
  311   2HB   HIS  43          2HB       HIS  43  -0.915  -9.627   8.085
  312    HD1  HIS  43           HD1      HIS  43   0.191  -9.651  10.328
  313    HD2  HIS  43           HD2      HIS  43  -0.461  -5.765   8.969
  314    HE1  HIS  43           HE1      HIS  43   0.883  -8.107  12.213
  315    H    ARG  44           H        ARG  44   0.242  -9.276   4.446
  316    HA   ARG  44           HA       ARG  44   1.624 -11.797   5.272
  317   1HB   ARG  44          2HB       ARG  44  -0.482 -11.579   3.106
  318   2HB   ARG  44          1HB       ARG  44   0.245 -13.054   3.745
  319   1HG   ARG  44          1HG       ARG  44  -0.687 -12.328   6.029
  320   2HG   ARG  44          2HG       ARG  44  -1.667 -11.169   5.128
  321   1HD   ARG  44          1HD       ARG  44  -1.937 -13.609   3.750
  322   2HD   ARG  44          2HD       ARG  44  -2.071 -14.016   5.460
  323    HE   ARG  44           HE       ARG  44  -3.729 -11.814   4.313
  324   1HH1  ARG  44          1HH1      ARG  44  -4.077 -12.538   7.166
  325   2HH1  ARG  44          2HH1      ARG  44  -5.399 -13.655   7.117
  326   1HH2  ARG  44          1HH2      ARG  44  -5.121 -14.248   3.712
  327   2HH2  ARG  44          2HH2      ARG  44  -5.990 -14.625   5.163
  328    H    ILE  45           H        ILE  45   1.387  -9.168   3.014
  329    HA   ILE  45           HA       ILE  45   3.211 -10.475   1.092
  330    HB   ILE  45           HB       ILE  45   1.721  -7.850   1.140
  331   1HG1  ILE  45          1HG1      ILE  45   1.760  -9.813  -1.117
  332   2HG1  ILE  45          2HG1      ILE  45   0.877 -10.250   0.346
  333   1HG2  ILE  45          1HG2      ILE  45   4.069  -8.673  -0.546
  334   2HG2  ILE  45          2HG2      ILE  45   2.798  -7.673  -1.252
  335   3HG2  ILE  45          3HG2      ILE  45   3.697  -7.095   0.150
  336   1HD1  ILE  45          1HD1      ILE  45   0.034  -7.682   0.000
  337   2HD1  ILE  45          2HD1      ILE  45   0.266  -8.181  -1.677
  338   3HD1  ILE  45          3HD1      ILE  45  -0.824  -9.088  -0.630
  339    H    ARG  46           H        ARG  46   3.206  -7.516   3.120
  340    HA   ARG  46           HA       ARG  46   6.018  -7.005   2.623
  341   1HB   ARG  46          1HB       ARG  46   4.166  -5.337   3.368
  342   2HB   ARG  46          2HB       ARG  46   4.495  -5.936   4.994
  343   1HG   ARG  46          1HG       ARG  46   7.032  -5.502   4.065
  344   2HG   ARG  46          2HG       ARG  46   6.143  -4.211   3.255
  345   1HD   ARG  46          1HD       ARG  46   5.671  -3.125   5.215
  346   2HD   ARG  46          2HD       ARG  46   5.508  -4.626   6.126
  347    HE   ARG  46           HE       ARG  46   7.953  -3.073   5.815
  348   1HH1  ARG  46          1HH1      ARG  46   9.695  -4.871   5.303
  349   2HH1  ARG  46          2HH1      ARG  46   9.726  -6.090   6.532
  350   1HH2  ARG  46          1HH2      ARG  46   6.635  -5.224   7.844
  351   2HH2  ARG  46          2HH2      ARG  46   7.992  -6.292   7.968
  352    H    THR  47           H        THR  47   4.524  -9.381   4.405
  353    HA   THR  47           HA       THR  47   6.911  -9.604   6.191
  354    HB   THR  47           HB       THR  47   5.430  -9.328   7.896
  355    HG1  THR  47           HG1      THR  47   4.621 -11.260   8.574
  356   1HG2  THR  47          1HG2      THR  47   3.665  -8.565   6.306
  357   2HG2  THR  47          2HG2      THR  47   3.178 -10.247   6.086
  358   3HG2  THR  47          3HG2      THR  47   3.007  -9.479   7.665
  359    H    ASP  48           H        ASP  48   4.167 -11.536   4.914
  360    HA   ASP  48           HA       ASP  48   5.767 -13.977   5.021
  361   1HB   ASP  48          1HB       ASP  48   2.997 -13.305   4.679
  362   2HB   ASP  48          2HB       ASP  48   3.498 -14.329   3.333
  363    H    GLU  49           H        GLU  49   5.390 -11.405   2.797
  364    HA   GLU  49           HA       GLU  49   6.731 -13.061   0.697
  365   1HB   GLU  49          1HB       GLU  49   4.223 -11.927   0.451
  366   2HB   GLU  49          2HB       GLU  49   5.270 -10.714  -0.290
  367   1HG   GLU  49          1HG       GLU  49   4.868 -12.115  -2.105
  368   2HG   GLU  49          2HG       GLU  49   6.357 -12.812  -1.467
  369    H    ASN  50           H        ASN  50   7.657 -11.267  -1.015
  370    HA   ASN  50           HA       ASN  50   9.856 -10.031   0.256
  371   1HB   ASN  50          1HB       ASN  50   9.293 -10.500  -2.302
  372   2HB   ASN  50          2HB       ASN  50   8.758  -8.821  -2.254
  373   2HD2  ASN  50          2HD2      ASN  50  10.770  -8.709  -3.816
  374   1HD2  ASN  50          1HD2      ASN  50  12.269  -8.400  -3.080
  375    H    GLY  51           H        GLY  51   6.910  -8.424  -1.017
  376   1HA   GLY  51          2HA       GLY  51   7.384  -6.279   1.015
  377   2HA   GLY  51          1HA       GLY  51   5.775  -6.800   0.516
  378    H    LEU  52           H        LEU  52   6.379  -6.979  -2.310
  379    HA   LEU  52           HA       LEU  52   6.973  -4.121  -2.954
  380   1HB   LEU  52          1HB       LEU  52   7.214  -6.663  -4.576
  381   2HB   LEU  52          2HB       LEU  52   7.263  -5.065  -5.321
  382    HG   LEU  52           HG       LEU  52   9.133  -6.113  -3.180
  383   1HD1  LEU  52          1HD1      LEU  52   9.163  -6.231  -6.033
  384   2HD1  LEU  52          2HD1      LEU  52  10.412  -5.092  -5.530
  385   3HD1  LEU  52          3HD1      LEU  52  10.425  -6.744  -4.910
  386   1HD2  LEU  52          1HD2      LEU  52   8.393  -3.405  -3.979
  387   2HD2  LEU  52          2HD2      LEU  52   9.385  -3.934  -2.621
  388   3HD2  LEU  52          3HD2      LEU  52  10.116  -3.706  -4.210
  389    H    CYS  53           H        CYS  53   5.759  -3.561  -5.156
  390    HA   CYS  53           HA       CYS  53   2.890  -3.921  -4.572
  391   1HB   CYS  53          1HB       CYS  53   3.829  -1.666  -5.078
  392   2HB   CYS  53          2HB       CYS  53   4.239  -2.232  -6.695
  393    HA   PRO  54           HA       PRO  54   2.838  -7.072  -7.760
  394   1HB   PRO  54          1HB       PRO  54   0.250  -7.853  -7.265
  395   2HB   PRO  54          2HB       PRO  54   1.634  -8.385  -6.295
  396   1HG   PRO  54          2HG       PRO  54  -0.482  -6.398  -5.615
  397   2HG   PRO  54          1HG       PRO  54   0.505  -7.399  -4.537
  398   1HD   PRO  54          1HD       PRO  54   0.915  -4.652  -5.096
  399   2HD   PRO  54          2HD       PRO  54   2.060  -5.736  -4.278
  400    H    ALA  55           H        ALA  55   1.611  -4.058  -7.857
  401    HA   ALA  55           HA       ALA  55  -0.005  -4.616 -10.311
  402   1HB   ALA  55          1HB       ALA  55  -1.533  -3.702  -8.755
  403   2HB   ALA  55          3HB       ALA  55  -1.060  -2.327  -9.752
  404   3HB   ALA  55          2HB       ALA  55  -0.352  -2.539  -8.152
  405    H    CYS  56           H        CYS  56   2.423  -2.494  -8.813
  406    HA   CYS  56           HA       CYS  56   3.041  -1.526 -11.571
  407   1HB   CYS  56          1HB       CYS  56   3.320   0.681 -10.847
  408   2HB   CYS  56          2HB       CYS  56   1.928   0.152  -9.907
  409    H    ARG  57           H        ARG  57   4.200  -3.058  -8.765
  410    HA   ARG  57           HA       ARG  57   6.327  -4.009  -8.388
  411   1HB   ARG  57          2HB       ARG  57   7.366  -2.461 -10.767
  412   2HB   ARG  57          1HB       ARG  57   7.988  -3.960 -10.082
  413   1HG   ARG  57          1HG       ARG  57   5.165  -4.027 -11.004
  414   2HG   ARG  57          2HG       ARG  57   6.391  -3.896 -12.265
  415   1HD   ARG  57          1HD       ARG  57   7.564  -5.819 -10.869
  416   2HD   ARG  57          2HD       ARG  57   5.920  -6.109 -10.303
  417    HE   ARG  57           HE       ARG  57   5.446  -7.020 -12.418
  418   1HH1  ARG  57          1HH1      ARG  57   5.604  -4.918 -14.268
  419   2HH1  ARG  57          2HH1      ARG  57   7.046  -5.202 -15.185
  420   1HH2  ARG  57          1HH2      ARG  57   8.410  -7.385 -12.864
  421   2HH2  ARG  57          2HH2      ARG  57   8.636  -6.595 -14.389
  422    H    LYS  58           H        LYS  58   6.064  -2.415  -6.561
  423    HA   LYS  58           HA       LYS  58   8.413  -0.643  -6.487
  424   1HB   LYS  58          1HB       LYS  58   5.566   0.343  -6.221
  425   2HB   LYS  58          2HB       LYS  58   6.924   1.215  -5.510
  426   1HG   LYS  58          1HG       LYS  58   6.771   0.439  -8.435
  427   2HG   LYS  58          2HG       LYS  58   6.290   2.018  -7.812
  428   1HD   LYS  58          1HD       LYS  58   8.642   2.107  -6.750
  429   2HD   LYS  58          2HD       LYS  58   9.039   0.774  -7.835
  430   1HE   LYS  58          1HE       LYS  58   7.695   2.666  -9.431
  431   2HE   LYS  58          2HE       LYS  58   8.810   3.598  -8.431
  432   1HZ   LYS  58          1HZ       LYS  58  10.583   2.060  -9.099
  433   2HZ   LYS  58          2HZ       LYS  58   9.498   1.264 -10.131
  434   3HZ   LYS  58          3HZ       LYS  58   9.913   2.885 -10.425
  435    HA   PRO  59           HA       PRO  59   8.382  -2.251  -2.398
  436   1HB   PRO  59          1HB       PRO  59  10.165  -0.476  -1.279
  437   2HB   PRO  59          2HB       PRO  59  10.640  -1.816  -2.337
  438   1HG   PRO  59          2HG       PRO  59  10.486   1.102  -2.954
  439   2HG   PRO  59          1HG       PRO  59  11.526  -0.143  -3.668
  440   1HD   PRO  59          1HD       PRO  59   9.198   0.915  -4.854
  441   2HD   PRO  59          2HD       PRO  59  10.017  -0.585  -5.342
  442    H    TYR  60           H        TYR  60   6.857  -1.949  -0.829
  443    HA   TYR  60           HA       TYR  60   5.233   0.358  -0.585
  444   1HB   TYR  60          1HB       TYR  60   5.874  -1.634   1.610
  445   2HB   TYR  60          2HB       TYR  60   4.461  -0.586   1.532
  446    HD1  TYR  60           HD1      TYR  60   4.897  -1.343  -1.775
  447    HD2  TYR  60           HD2      TYR  60   3.814  -3.291   1.897
  448    HE1  TYR  60           HE1      TYR  60   3.669  -3.077  -3.056
  449    HE2  TYR  60           HE2      TYR  60   2.587  -5.022   0.618
  450    HH   TYR  60           HH       TYR  60   1.641  -5.442  -1.457
  451    HA   PRO  61           HA       PRO  61   7.720   3.116   1.777
  452   1HB   PRO  61          1HB       PRO  61   5.709   4.636   2.874
  453   2HB   PRO  61          2HB       PRO  61   6.217   4.762   1.181
  454   1HG   PRO  61          2HG       PRO  61   3.761   3.507   2.312
  455   2HG   PRO  61          1HG       PRO  61   4.029   4.196   0.704
  456   1HD   PRO  61          1HD       PRO  61   4.017   1.438   1.354
  457   2HD   PRO  61          2HD       PRO  61   4.582   2.154  -0.170
  458    H    GLU  62           H        GLU  62   8.721   2.549   3.690
  459    HA   GLU  62           HA       GLU  62   6.975   1.761   5.991
  460   1HB   GLU  62          1HB       GLU  62   9.253   0.535   6.660
  461   2HB   GLU  62          2HB       GLU  62   8.060  -0.243   5.619
  462   1HG   GLU  62          1HG       GLU  62   9.277   0.578   3.625
  463   2HG   GLU  62          2HG       GLU  62  10.485   1.317   4.677
  464    H    ASP  63           H        ASP  63   9.958   3.371   4.964
  465    HA   ASP  63           HA       ASP  63   9.754   5.128   7.333
  466   1HB   ASP  63          1HB       ASP  63  11.268   3.127   7.881
  467   2HB   ASP  63          2HB       ASP  63  12.388   3.786   6.686
  468    HA   PRO  64           HA       PRO  64  10.964   7.278   3.468
  469   1HB   PRO  64          1HB       PRO  64   9.076   9.259   3.729
  470   2HB   PRO  64          2HB       PRO  64   8.771   7.713   2.918
  471   1HG   PRO  64          2HG       PRO  64   7.856   8.637   5.602
  472   2HG   PRO  64          1HG       PRO  64   7.118   7.453   4.511
  473   1HD   PRO  64          1HD       PRO  64   8.660   6.855   6.810
  474   2HD   PRO  64          2HD       PRO  64   8.193   5.708   5.537
  475    H    ALA  65           H        ALA  65  11.092   7.899   6.770
  476    HA   ALA  65           HA       ALA  65  13.235   9.692   6.685
  477   1HB   ALA  65          1HB       ALA  65  12.204  11.546   5.840
  478   2HB   ALA  65          3HB       ALA  65  10.598  10.994   6.313
  479   3HB   ALA  65          2HB       ALA  65  11.658  11.747   7.504
  480    H    VAL  66           H        VAL  66  14.018   9.000   8.616
  481    HA   VAL  66           HA       VAL  66  12.270   9.352  11.009
  482    HB   VAL  66           HB       VAL  66  12.425   6.924  10.335
  483   1HG1  VAL  66          1HG1      VAL  66  14.938   7.368   9.639
  484   2HG1  VAL  66          2HG1      VAL  66  15.255   6.970  11.328
  485   3HG1  VAL  66          3HG1      VAL  66  14.459   5.797  10.280
  486   1HG2  VAL  66          1HG2      VAL  66  12.240   7.914  12.755
  487   2HG2  VAL  66          2HG2      VAL  66  12.604   6.200  12.560
  488   3HG2  VAL  66          3HG2      VAL  66  13.899   7.340  12.928
  489    H    TYR  67           H        TYR  67  15.532   9.197   9.648
  490    HA   TYR  67           HA       TYR  67  16.475  11.240  11.459
  491   1HB   TYR  67          1HB       TYR  67  16.476   8.754  12.616
  492   2HB   TYR  67          2HB       TYR  67  18.092   8.815  11.913
  493    HD1  TYR  67           HD1      TYR  67  15.938  11.535  13.318
  494    HD2  TYR  67           HD2      TYR  67  19.581   9.286  13.668
  495    HE1  TYR  67           HE1      TYR  67  16.681  13.024  15.156
  496    HE2  TYR  67           HE2      TYR  67  20.323  10.776  15.507
  497    HH   TYR  67           HH       TYR  67  18.183  13.118  16.950
  498    H    LYS  68           H        LYS  68  17.782  12.346  10.088
  499    HA   LYS  68           HA       LYS  68  19.127  10.933   7.877
  500   1HB   LYS  68          2HB       LYS  68  19.131  13.875   8.622
  501   2HB   LYS  68          1HB       LYS  68  19.745  13.189   7.117
  502   1HG   LYS  68          1HG       LYS  68  17.544  12.449   6.469
  503   2HG   LYS  68          2HG       LYS  68  16.881  12.866   8.050
  504   1HD   LYS  68          2HD       LYS  68  16.311  14.616   6.437
  505   2HD   LYS  68          1HD       LYS  68  17.448  15.253   7.624
  506   1HE   LYS  68          1HE       LYS  68  19.046  15.601   6.061
  507   2HE   LYS  68          2HE       LYS  68  18.785  14.017   5.331
  508   1HZ   LYS  68          1HZ       LYS  68  16.998  16.351   4.928
  509   2HZ   LYS  68          2HZ       LYS  68  18.234  15.902   3.853
  510   3HZ   LYS  68          3HZ       LYS  68  16.925  14.858   4.124
  511    HA   PRO  69           HA       PRO  69  23.043  10.738   9.861
  512   1HB   PRO  69          1HB       PRO  69  24.645  10.720   7.627
  513   2HB   PRO  69          2HB       PRO  69  23.683   9.327   8.153
  514   1HG   PRO  69          2HG       PRO  69  23.196  11.192   5.879
  515   2HG   PRO  69          1HG       PRO  69  22.676   9.511   6.083
  516   1HD   PRO  69          1HD       PRO  69  21.059  11.809   6.458
  517   2HD   PRO  69          2HD       PRO  69  20.657  10.152   6.955
  518    H    LEU  70           H        LEU  70  24.653  12.162  10.589
  519    HA   LEU  70           HA       LEU  70  24.433  14.958   9.700
  520   1HB   LEU  70          1HB       LEU  70  24.962  13.773  12.134
  521   2HB   LEU  70          2HB       LEU  70  26.565  14.298  11.615
  522    HG   LEU  70           HG       LEU  70  25.279  16.529  10.998
  523   1HD1  LEU  70          1HD1      LEU  70  23.288  14.965  12.372
  524   2HD1  LEU  70          2HD1      LEU  70  23.670  16.398  13.329
  525   3HD1  LEU  70          3HD1      LEU  70  23.128  16.571  11.659
  526   1HD2  LEU  70          1HD2      LEU  70  26.638  15.525  13.371
  527   2HD2  LEU  70          2HD2      LEU  70  26.770  17.104  12.598
  528   3HD2  LEU  70          3HD2      LEU  70  25.494  16.804  13.779
  529    H    SER  71           H        SER  71  25.343  14.761   7.555
  530    HA   SER  71           HA       SER  71  28.168  13.891   7.366
  531   1HB   SER  71          1HB       SER  71  27.630  14.663   4.868
  532   2HB   SER  71          2HB       SER  71  27.095  13.102   5.479
  533    HG   SER  71           HG       SER  71  25.486  14.552   4.423
  534    H    GLN  72           H        GLN  72  27.593  16.280   8.900
  535    HA   GLN  72           HA       GLN  72  29.321  18.152   7.407
  536   1HB   GLN  72          1HB       GLN  72  26.450  18.566   7.839
  537   2HB   GLN  72          2HB       GLN  72  27.438  19.887   8.465
  538   1HG   GLN  72          1HG       GLN  72  27.790  20.647   6.378
  539   2HG   GLN  72          2HG       GLN  72  28.479  19.092   5.911
  540   2HE2  GLN  72          2HE2      GLN  72  27.383  19.264   3.788
  541   1HE2  GLN  72          1HE2      GLN  72  25.716  18.972   3.658
  542    H    GLU  73           H        GLU  73  30.507  17.026   9.345
  543    HA   GLU  73           HA       GLU  73  30.748  19.007  11.453
  544   1HB   GLU  73          1HB       GLU  73  30.261  17.284  13.292
  545   2HB   GLU  73          2HB       GLU  73  28.860  17.954  12.456
  546   1HG   GLU  73          2HG       GLU  73  28.269  15.787  12.128
  547   2HG   GLU  73          1HG       GLU  73  29.494  15.805  10.860
  548    H    GLU  74           H        GLU  74  32.878  18.741  10.305
  549    HA   GLU  74           HA       GLU  74  34.455  16.442  10.238
  550   1HB   GLU  74          1HB       GLU  74  35.076  19.353  10.592
  551   2HB   GLU  74          2HB       GLU  74  36.379  18.181  10.796
  552   1HG   GLU  74          1HG       GLU  74  36.458  17.707   8.579
  553   2HG   GLU  74          2HG       GLU  74  34.701  17.691   8.429
  554    H    LEU  75           H        LEU  75  35.981  15.518  11.725
  555    HA   LEU  75           HA       LEU  75  36.223  16.462  14.451
  556   1HB   LEU  75          1HB       LEU  75  34.034  14.644  13.789
  557   2HB   LEU  75          2HB       LEU  75  35.118  13.963  15.004
  558    HG   LEU  75           HG       LEU  75  34.330  16.821  15.330
  559   1HD1  LEU  75          1HD1      LEU  75  32.364  14.828  14.927
  560   2HD1  LEU  75          2HD1      LEU  75  32.427  15.109  16.667
  561   3HD1  LEU  75          3HD1      LEU  75  32.121  16.454  15.568
  562   1HD2  LEU  75          1HD2      LEU  75  35.281  14.531  16.935
  563   2HD2  LEU  75          2HD2      LEU  75  35.561  16.257  17.162
  564   3HD2  LEU  75          3HD2      LEU  75  34.061  15.527  17.731
  565    H    GLN  76           H        GLN  76  35.991  13.046  13.595
  566    HA   GLN  76           HA       GLN  76  38.885  12.780  14.164
  567   1HB   GLN  76          1HB       GLN  76  36.596  10.832  13.921
  568   2HB   GLN  76          2HB       GLN  76  38.270  10.273  13.904
  569   1HG   GLN  76          2HG       GLN  76  37.900  10.197  16.176
  570   2HG   GLN  76          1HG       GLN  76  38.416  11.879  16.042
  571   2HE2  GLN  76          2HE2      GLN  76  35.303  10.136  15.435
  572   1HE2  GLN  76          1HE2      GLN  76  34.356  11.229  16.324
  573    H    ARG  77           H        ARG  77  36.797  11.130  11.771
  574    HA   ARG  77           HA       ARG  77  38.930  11.699   9.751
  575   1HB   ARG  77          1HB       ARG  77  37.167   9.244  10.012
  576   2HB   ARG  77          2HB       ARG  77  38.302   9.536   8.693
  577   1HG   ARG  77          1HG       ARG  77  40.166   9.256  10.055
  578   2HG   ARG  77          2HG       ARG  77  39.288   9.698  11.521
  579   1HD   ARG  77          1HD       ARG  77  38.955   7.514  11.944
  580   2HD   ARG  77          2HD       ARG  77  38.004   7.401  10.463
  581    HE   ARG  77           HE       ARG  77  39.794   6.031   9.766
  582   1HH1  ARG  77          1HH1      ARG  77  41.285   8.222   8.628
  583   2HH1  ARG  77          2HH1      ARG  77  42.784   8.215   9.497
  584   1HH2  ARG  77          1HH2      ARG  77  41.565   6.281  12.105
  585   2HH2  ARG  77          2HH2      ARG  77  42.941   7.115  11.466
  586    H    ILE  78           H        ILE  78  36.001  10.064   8.826
  587    HA   ILE  78           HA       ILE  78  34.778  12.598   7.889
  588    HB   ILE  78           HB       ILE  78  36.087  12.012   5.976
  589   1HG1  ILE  78          1HG1      ILE  78  33.527  10.611   5.272
  590   2HG1  ILE  78          2HG1      ILE  78  33.463  12.306   5.757
  591   1HG2  ILE  78          1HG2      ILE  78  36.665   9.728   6.728
  592   2HG2  ILE  78          2HG2      ILE  78  35.033   9.190   6.331
  593   3HG2  ILE  78          3HG2      ILE  78  36.118   9.731   5.051
  594   1HD1  ILE  78          1HD1      ILE  78  35.189  11.177   3.532
  595   2HD1  ILE  78          2HD1      ILE  78  33.700  12.096   3.309
  596   3HD1  ILE  78          3HD1      ILE  78  35.116  12.872   4.017

  No H/Q in entry =         596
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1 -40.184  -6.524  -5.493
    2    H2   MET   1           H2       MET   1 -41.608  -7.240  -4.905
    3    H3   MET   1           H3       MET   1 -41.046  -5.783  -4.234
    4    HA   MET   1           HA       MET   1 -40.334  -7.254  -2.653
    5   1HB   MET   1          1HB       MET   1 -40.532  -9.100  -4.912
    6   2HB   MET   1          2HB       MET   1 -39.111  -9.414  -3.913
    7   1HG   MET   1          1HG       MET   1 -40.438  -9.664  -1.939
    8   2HG   MET   1          2HG       MET   1 -41.871  -9.019  -2.738
    9   1HE   MET   1          1HE       MET   1 -39.565 -11.474  -1.914
   10   2HE   MET   1          2HE       MET   1 -40.485 -12.974  -1.997
   11   3HE   MET   1          3HE       MET   1 -39.397 -12.542  -3.314
   12    H    SER   2           H        SER   2 -38.349  -7.699  -5.607
   13    HA   SER   2           HA       SER   2 -36.287  -5.906  -4.599
   14   1HB   SER   2          1HB       SER   2 -36.172  -8.685  -3.872
   15   2HB   SER   2          2HB       SER   2 -34.850  -8.327  -4.979
   16    HG   SER   2           HG       SER   2 -35.054  -7.715  -2.415
   17    H    ARG   3           H        ARG   3 -35.841  -8.846  -6.539
   18    HA   ARG   3           HA       ARG   3 -35.459  -9.100  -8.848
   19   1HB   ARG   3          1HB       ARG   3 -37.449  -7.470  -8.982
   20   2HB   ARG   3          2HB       ARG   3 -36.243  -6.200  -9.189
   21   1HG   ARG   3          1HG       ARG   3 -35.443  -7.128 -11.216
   22   2HG   ARG   3          2HG       ARG   3 -36.228  -8.678 -10.911
   23   1HD   ARG   3          1HD       ARG   3 -37.685  -7.706 -12.458
   24   2HD   ARG   3          2HD       ARG   3 -38.433  -7.251 -10.927
   25    HE   ARG   3           HE       ARG   3 -36.509  -5.301 -11.990
   26   1HH1  ARG   3          1HH1      ARG   3 -39.157  -6.054 -13.611
   27   2HH1  ARG   3          2HH1      ARG   3 -40.116  -4.675 -13.189
   28   1HH2  ARG   3          1HH2      ARG   3 -38.003  -3.655 -10.636
   29   2HH2  ARG   3          2HH2      ARG   3 -39.464  -3.318 -11.503
   30    H    SER   4           H        SER   4 -33.300  -8.601  -7.227
   31    HA   SER   4           HA       SER   4 -31.052  -7.959  -7.397
   32   1HB   SER   4          1HB       SER   4 -31.792  -8.361  -9.966
   33   2HB   SER   4          2HB       SER   4 -31.423  -6.640 -10.033
   34    HG   SER   4           HG       SER   4 -29.536  -7.751 -10.407
   35    HA   PRO   5           HA       PRO   5 -31.715  -3.734  -6.104
   36   1HB   PRO   5          1HB       PRO   5 -29.341  -3.522  -4.736
   37   2HB   PRO   5          2HB       PRO   5 -30.778  -4.326  -4.082
   38   1HG   PRO   5          2HG       PRO   5 -28.268  -5.539  -5.142
   39   2HG   PRO   5          1HG       PRO   5 -29.411  -6.185  -3.953
   40   1HD   PRO   5          1HD       PRO   5 -29.250  -6.936  -6.678
   41   2HD   PRO   5          2HD       PRO   5 -30.578  -7.323  -5.563
   42    H    ASP   6           H        ASP   6 -30.499  -1.648  -6.414
   43    HA   ASP   6           HA       ASP   6 -28.174  -1.698  -8.211
   44   1HB   ASP   6          1HB       ASP   6 -29.466  -0.158  -9.849
   45   2HB   ASP   6          2HB       ASP   6 -29.778  -1.892  -9.938
   46    H    ALA   7           H        ALA   7 -28.642  -0.679  -5.559
   47    HA   ALA   7           HA       ALA   7 -28.628   2.271  -6.030
   48   1HB   ALA   7          1HB       ALA   7 -30.288   1.709  -4.403
   49   2HB   ALA   7          3HB       ALA   7 -29.192   0.607  -3.567
   50   3HB   ALA   7          2HB       ALA   7 -28.918   2.348  -3.492
   51    H    LYS   8           H        LYS   8 -26.618  -0.392  -5.331
   52    HA   LYS   8           HA       LYS   8 -24.306  -0.478  -4.913
   53   1HB   LYS   8          1HB       LYS   8 -24.782   2.195  -5.924
   54   2HB   LYS   8          2HB       LYS   8 -23.521   2.218  -4.690
   55   1HG   LYS   8          1HG       LYS   8 -22.054   1.313  -6.133
   56   2HG   LYS   8          2HG       LYS   8 -23.121  -0.071  -6.377
   57   1HD   LYS   8          2HD       LYS   8 -22.815   0.947  -8.531
   58   2HD   LYS   8          1HD       LYS   8 -24.443   1.369  -7.997
   59   1HE   LYS   8          1HE       LYS   8 -22.510   3.304  -7.029
   60   2HE   LYS   8          2HE       LYS   8 -22.420   3.154  -8.784
   61   1HZ   LYS   8          1HZ       LYS   8 -25.048   3.186  -8.442
   62   2HZ   LYS   8          2HZ       LYS   8 -24.585   4.134  -7.109
   63   3HZ   LYS   8          3HZ       LYS   8 -24.131   4.594  -8.681
   64    H    GLU   9           H        GLU   9 -23.249  -0.714  -2.968
   65    HA   GLU   9           HA       GLU   9 -23.745   1.168  -0.763
   66   1HB   GLU   9          1HB       GLU   9 -25.392  -1.088  -1.012
   67   2HB   GLU   9          2HB       GLU   9 -24.205  -1.528   0.218
   68   1HG   GLU   9          1HG       GLU   9 -24.791   0.294   1.604
   69   2HG   GLU   9          2HG       GLU   9 -25.615   1.138   0.292
   70    H    ASP  10           H        ASP  10 -22.489   0.310   1.257
   71    HA   ASP  10           HA       ASP  10 -20.448  -0.392   2.171
   72   1HB   ASP  10          1HB       ASP  10 -21.075  -2.381   0.089
   73   2HB   ASP  10          2HB       ASP  10 -19.354  -2.245   0.458
   74    HA   PRO  11           HA       PRO  11 -17.612   2.126  -0.083
   75   1HB   PRO  11          1HB       PRO  11 -15.451   1.770   1.577
   76   2HB   PRO  11          2HB       PRO  11 -16.827   2.813   1.975
   77   1HG   PRO  11          2HG       PRO  11 -16.135   0.126   3.064
   78   2HG   PRO  11          1HG       PRO  11 -17.069   1.431   3.811
   79   1HD   PRO  11          1HD       PRO  11 -18.136  -0.900   2.603
   80   2HD   PRO  11          2HD       PRO  11 -19.051   0.548   3.073
   81    H    VAL  12           H        VAL  12 -14.960   1.766  -0.497
   82    HA   VAL  12           HA       VAL  12 -14.764  -0.222  -2.487
   83    HB   VAL  12           HB       VAL  12 -12.458   0.830  -0.826
   84   1HG1  VAL  12          1HG1      VAL  12 -12.766  -0.561  -3.459
   85   2HG1  VAL  12          2HG1      VAL  12 -11.484   0.640  -3.294
   86   3HG1  VAL  12          3HG1      VAL  12 -11.522  -0.761  -2.224
   87   1HG2  VAL  12          1HG2      VAL  12 -14.338   2.228  -2.516
   88   2HG2  VAL  12          2HG2      VAL  12 -12.971   2.880  -1.614
   89   3HG2  VAL  12          3HG2      VAL  12 -12.734   2.267  -3.250
   90    H    GLU  13           H        GLU  13 -13.778  -2.319  -2.474
   91    HA   GLU  13           HA       GLU  13 -13.515  -3.527   0.251
   92   1HB   GLU  13          2HB       GLU  13 -14.436  -5.056  -2.184
   93   2HB   GLU  13          1HB       GLU  13 -14.619  -5.489  -0.483
   94   1HG   GLU  13          1HG       GLU  13 -15.856  -2.972  -0.759
   95   2HG   GLU  13          2HG       GLU  13 -16.380  -3.916  -2.155
   96    H    CYS  14           H        CYS  14 -11.634  -4.640   0.599
   97    HA   CYS  14           HA       CYS  14  -9.349  -4.376  -0.919
   98   1HB   CYS  14          1HB       CYS  14  -9.485  -5.428   1.358
   99   2HB   CYS  14          2HB       CYS  14 -10.058  -6.909   0.588
  100    HA   PRO  15           HA       PRO  15 -10.527  -6.835  -4.493
  101   1HB   PRO  15          1HB       PRO  15  -8.477  -5.915  -6.073
  102   2HB   PRO  15          2HB       PRO  15  -9.978  -5.012  -5.807
  103   1HG   PRO  15          2HG       PRO  15  -7.262  -4.503  -4.692
  104   2HG   PRO  15          1HG       PRO  15  -8.596  -3.369  -4.956
  105   1HD   PRO  15          1HD       PRO  15  -7.843  -4.525  -2.472
  106   2HD   PRO  15          2HD       PRO  15  -9.330  -3.612  -2.800
  107    H    LEU  16           H        LEU  16  -8.168  -7.279  -2.289
  108    HA   LEU  16           HA       LEU  16  -6.633  -9.271  -3.894
  109   1HB   LEU  16          1HB       LEU  16  -6.068  -7.718  -1.379
  110   2HB   LEU  16          2HB       LEU  16  -5.186  -9.204  -1.716
  111    HG   LEU  16           HG       LEU  16  -4.218  -6.911  -2.540
  112   1HD1  LEU  16          1HD1      LEU  16  -3.459  -9.287  -3.070
  113   2HD1  LEU  16          2HD1      LEU  16  -4.403  -9.154  -4.553
  114   3HD1  LEU  16          3HD1      LEU  16  -3.051  -8.059  -4.268
  115   1HD2  LEU  16          1HD2      LEU  16  -6.348  -6.233  -3.679
  116   2HD2  LEU  16          2HD2      LEU  16  -4.962  -6.253  -4.772
  117   3HD2  LEU  16          3HD2      LEU  16  -6.130  -7.575  -4.803
  118    H    CYS  17           H        CYS  17  -8.590  -8.874  -0.968
  119    HA   CYS  17           HA       CYS  17  -8.812 -11.852  -0.848
  120   1HB   CYS  17          2HB       CYS  17  -8.662 -11.828   1.547
  121   2HB   CYS  17          1HB       CYS  17  -7.302 -10.872   0.961
  122    H    MET  18           H        MET  18 -10.381  -9.077  -1.446
  123    HA   MET  18           HA       MET  18 -12.624  -8.453  -1.471
  124   1HB   MET  18          1HB       MET  18 -12.678 -11.427  -1.266
  125   2HB   MET  18          2HB       MET  18 -14.183 -10.571  -0.931
  126   1HG   MET  18          1HG       MET  18 -13.397  -9.260  -3.165
  127   2HG   MET  18          2HG       MET  18 -12.693 -10.846  -3.482
  128   1HE   MET  18          1HE       MET  18 -14.340 -10.408  -5.597
  129   2HE   MET  18          2HE       MET  18 -16.098 -10.459  -5.501
  130   3HE   MET  18          3HE       MET  18 -15.228  -9.066  -4.863
  131    H    GLU  19           H        GLU  19 -13.141  -7.132   0.215
  132    HA   GLU  19           HA       GLU  19 -14.485  -8.103   2.529
  133   1HB   GLU  19          1HB       GLU  19 -11.587  -8.116   2.703
  134   2HB   GLU  19          2HB       GLU  19 -12.284  -7.017   3.895
  135   1HG   GLU  19          1HG       GLU  19 -13.973  -9.055   4.239
  136   2HG   GLU  19          2HG       GLU  19 -12.595  -9.976   3.636
  137    HA   PRO  20           HA       PRO  20 -15.411  -3.832   2.869
  138   1HB   PRO  20          1HB       PRO  20 -15.890  -3.591   5.565
  139   2HB   PRO  20          2HB       PRO  20 -16.996  -4.401   4.442
  140   1HG   PRO  20          2HG       PRO  20 -15.154  -5.604   6.456
  141   2HG   PRO  20          1HG       PRO  20 -16.662  -6.249   5.789
  142   1HD   PRO  20          1HD       PRO  20 -14.047  -7.020   5.025
  143   2HD   PRO  20          2HD       PRO  20 -15.547  -7.406   4.156
  144    H    LEU  21           H        LEU  21 -14.054  -2.082   2.803
  145    HA   LEU  21           HA       LEU  21 -11.610  -2.099   4.483
  146   1HB   LEU  21          1HB       LEU  21 -12.468  -0.712   1.974
  147   2HB   LEU  21          2HB       LEU  21 -11.258   0.077   2.987
  148    HG   LEU  21           HG       LEU  21 -11.063  -2.780   1.990
  149   1HD1  LEU  21          1HD1      LEU  21 -10.887  -1.133   0.151
  150   2HD1  LEU  21          2HD1      LEU  21  -9.637  -0.272   1.050
  151   3HD1  LEU  21          3HD1      LEU  21  -9.335  -1.908   0.467
  152   1HD2  LEU  21          1HD2      LEU  21  -9.202  -0.943   3.521
  153   2HD2  LEU  21          2HD2      LEU  21  -9.834  -2.508   4.036
  154   3HD2  LEU  21          3HD2      LEU  21  -8.653  -2.421   2.730
  155    H    GLU  22           H        GLU  22 -11.175  -0.439   5.983
  156    HA   GLU  22           HA       GLU  22 -13.534   0.959   7.018
  157   1HB   GLU  22          2HB       GLU  22 -10.649   1.192   7.922
  158   2HB   GLU  22          1HB       GLU  22 -12.088   1.647   8.836
  159   1HG   GLU  22          1HG       GLU  22 -12.134  -1.132   7.873
  160   2HG   GLU  22          2HG       GLU  22 -10.827  -0.796   9.011
  161    H    ILE  23           H        ILE  23 -11.951   3.294   7.937
  162    HA   ILE  23           HA       ILE  23 -12.276   4.918   5.495
  163    HB   ILE  23           HB       ILE  23 -11.603   5.702   8.348
  164   1HG1  ILE  23          2HG1      ILE  23 -13.858   4.769   8.118
  165   2HG1  ILE  23          1HG1      ILE  23 -13.957   6.514   8.354
  166   1HG2  ILE  23          1HG2      ILE  23 -12.291   7.361   5.903
  167   2HG2  ILE  23          2HG2      ILE  23 -12.209   7.994   7.547
  168   3HG2  ILE  23          3HG2      ILE  23 -10.757   7.360   6.773
  169   1HD1  ILE  23          1HD1      ILE  23 -14.132   6.809   5.888
  170   2HD1  ILE  23          2HD1      ILE  23 -14.133   5.055   5.701
  171   3HD1  ILE  23          3HD1      ILE  23 -15.462   5.852   6.544
  172    H    ASP  24           H        ASP  24  -9.805   5.308   8.019
  173    HA   ASP  24           HA       ASP  24  -7.796   6.239   6.263
  174   1HB   ASP  24          1HB       ASP  24  -7.724   6.442   8.749
  175   2HB   ASP  24          2HB       ASP  24  -7.383   4.715   8.853
  176    H    ASP  25           H        ASP  25  -8.930   3.019   6.845
  177    HA   ASP  25           HA       ASP  25  -6.565   1.600   6.014
  178   1HB   ASP  25          1HB       ASP  25  -9.485   0.911   6.235
  179   2HB   ASP  25          2HB       ASP  25  -8.372  -0.211   5.454
  180    H    ILE  26           H        ILE  26  -9.481   2.683   4.265
  181    HA   ILE  26           HA       ILE  26  -8.918   1.571   1.746
  182    HB   ILE  26           HB       ILE  26 -10.220   4.197   2.504
  183   1HG1  ILE  26          1HG1      ILE  26 -11.357   1.592   1.436
  184   2HG1  ILE  26          2HG1      ILE  26 -11.327   2.037   3.143
  185   1HG2  ILE  26          1HG2      ILE  26  -9.645   2.987  -0.180
  186   2HG2  ILE  26          2HG2      ILE  26 -11.157   3.863   0.056
  187   3HG2  ILE  26          3HG2      ILE  26  -9.616   4.681   0.310
  188   1HD1  ILE  26          1HD1      ILE  26 -12.455   4.083   1.327
  189   2HD1  ILE  26          2HD1      ILE  26 -13.403   2.604   1.474
  190   3HD1  ILE  26          3HD1      ILE  26 -13.017   3.552   2.911
  191    H    ASN  27           H        ASN  27  -8.312   5.033   2.414
  192    HA   ASN  27           HA       ASN  27  -6.450   5.407   0.323
  193   1HB   ASN  27          1HB       ASN  27  -7.238   6.852   2.762
  194   2HB   ASN  27          2HB       ASN  27  -5.573   7.156   2.266
  195   2HD2  ASN  27          2HD2      ASN  27  -8.609   6.609   0.380
  196   1HD2  ASN  27          1HD2      ASN  27  -8.449   8.017  -0.554
  197    H    PHE  28           H        PHE  28  -6.075   3.760   3.335
  198    HA   PHE  28           HA       PHE  28  -3.181   4.030   3.492
  199   1HB   PHE  28          1HB       PHE  28  -4.350   3.531   5.532
  200   2HB   PHE  28          2HB       PHE  28  -5.150   2.138   4.802
  201    HD1  PHE  28           HD1      PHE  28  -1.973   3.446   6.140
  202    HD2  PHE  28           HD2      PHE  28  -3.955   0.048   4.414
  203    HE1  PHE  28           HE1      PHE  28  -0.074   1.998   6.810
  204    HE2  PHE  28           HE2      PHE  28  -2.056  -1.399   5.083
  205    HZ   PHE  28           HZ       PHE  28  -0.116  -0.426   6.282
  206    H    PHE  29           H        PHE  29  -1.842   3.070   2.046
  207    HA   PHE  29           HA       PHE  29  -2.483   0.305   1.148
  208   1HB   PHE  29          1HB       PHE  29  -1.496   1.181  -1.153
  209   2HB   PHE  29          2HB       PHE  29  -3.208   1.370  -0.783
  210    HD1  PHE  29           HD1      PHE  29   0.029   3.162  -0.077
  211    HD2  PHE  29           HD2      PHE  29  -4.127   3.468  -1.155
  212    HE1  PHE  29           HE1      PHE  29   0.243   5.630  -0.237
  213    HE2  PHE  29           HE2      PHE  29  -3.911   5.930  -1.304
  214    HZ   PHE  29           HZ       PHE  29  -1.724   7.013  -0.849
  215    HA   PRO  30           HA       PRO  30   1.820  -0.281   1.781
  216   1HB   PRO  30          1HB       PRO  30   2.213  -2.435   0.114
  217   2HB   PRO  30          2HB       PRO  30   1.395  -2.546   1.681
  218   1HG   PRO  30          2HG       PRO  30   0.221  -2.632  -1.055
  219   2HG   PRO  30          1HG       PRO  30  -0.405  -3.312   0.457
  220   1HD   PRO  30          1HD       PRO  30  -1.282  -0.916  -0.786
  221   2HD   PRO  30          2HD       PRO  30  -1.687  -1.457   0.858
  222    H    CYS  31           H        CYS  31   0.597   1.072  -0.952
  223    HA   CYS  31           HA       CYS  31   3.264   1.772  -1.957
  224   1HB   CYS  31          1HB       CYS  31   2.646  -0.360  -3.153
  225   2HB   CYS  31          2HB       CYS  31   1.258   0.491  -3.832
  226    H    THR  32           H        THR  32   3.207   3.739  -3.135
  227    HA   THR  32           HA       THR  32   0.695   5.256  -2.807
  228    HB   THR  32           HB       THR  32   2.864   6.712  -4.078
  229    HG1  THR  32           HG1      THR  32   4.442   6.322  -2.690
  230   1HG2  THR  32          1HG2      THR  32   1.285   6.874  -1.513
  231   2HG2  THR  32          2HG2      THR  32   2.596   8.001  -1.861
  232   3HG2  THR  32          3HG2      THR  32   1.191   7.926  -2.925
  233    H    CYS  33           H        CYS  33   0.904   3.162  -4.937
  234    HA   CYS  33           HA       CYS  33   0.748   4.918  -7.347
  235   1HB   CYS  33          1HB       CYS  33   1.133   2.983  -8.690
  236   2HB   CYS  33          2HB       CYS  33   2.273   2.870  -7.353
  237    H    GLY  34           H        GLY  34  -1.223   3.553  -5.044
  238   1HA   GLY  34          2HA       GLY  34  -3.522   3.487  -6.960
  239   2HA   GLY  34          1HA       GLY  34  -3.648   4.082  -5.302
  240    H    TYR  35           H        TYR  35  -2.208   1.118  -6.724
  241    HA   TYR  35           HA       TYR  35  -4.101  -0.772  -6.008
  242   1HB   TYR  35          1HB       TYR  35  -2.281  -1.717  -7.091
  243   2HB   TYR  35          2HB       TYR  35  -1.110  -0.806  -6.144
  244    HD1  TYR  35           HD1      TYR  35  -3.658  -3.551  -5.809
  245    HD2  TYR  35           HD2      TYR  35   0.010  -1.833  -4.370
  246    HE1  TYR  35           HE1      TYR  35  -3.319  -5.506  -4.324
  247    HE2  TYR  35           HE2      TYR  35   0.343  -3.788  -2.885
  248    HH   TYR  35           HH       TYR  35  -1.170  -5.540  -1.786
  249    H    GLN  36           H        GLN  36  -5.215  -0.296  -4.099
  250    HA   GLN  36           HA       GLN  36  -3.613  -0.271  -1.582
  251   1HB   GLN  36          1HB       GLN  36  -6.019   0.470  -0.705
  252   2HB   GLN  36          2HB       GLN  36  -4.915   1.635  -1.430
  253   1HG   GLN  36          1HG       GLN  36  -6.080   1.682  -3.457
  254   2HG   GLN  36          2HG       GLN  36  -6.831   0.112  -3.174
  255   2HE2  GLN  36          2HE2      GLN  36  -6.968   3.551  -2.259
  256   1HE2  GLN  36          1HE2      GLN  36  -8.523   3.482  -1.583
  257    H    ILE  37           H        ILE  37  -4.022  -1.786   0.009
  258    HA   ILE  37           HA       ILE  37  -6.115  -3.831  -0.599
  259    HB   ILE  37           HB       ILE  37  -4.554  -5.537   0.338
  260   1HG1  ILE  37          1HG1      ILE  37  -2.442  -3.377   0.126
  261   2HG1  ILE  37          2HG1      ILE  37  -3.240  -3.774   1.648
  262   1HG2  ILE  37          1HG2      ILE  37  -4.700  -5.113  -2.109
  263   2HG2  ILE  37          2HG2      ILE  37  -3.397  -3.934  -1.964
  264   3HG2  ILE  37          3HG2      ILE  37  -3.087  -5.636  -1.624
  265   1HD1  ILE  37          1HD1      ILE  37  -1.848  -5.842  -0.068
  266   2HD1  ILE  37          2HD1      ILE  37  -1.044  -4.982   1.245
  267   3HD1  ILE  37          3HD1      ILE  37  -2.420  -6.029   1.589
  268    H    CYS  38           H        CYS  38  -6.186  -5.291   1.607
  269    HA   CYS  38           HA       CYS  38  -6.954  -3.340   3.683
  270   1HB   CYS  38          1HB       CYS  38  -8.208  -5.112   4.669
  271   2HB   CYS  38          2HB       CYS  38  -8.420  -5.308   2.932
  272    H    ARG  39           H        ARG  39  -6.290  -3.826   5.986
  273    HA   ARG  39           HA       ARG  39  -3.441  -4.066   6.172
  274   1HB   ARG  39          1HB       ARG  39  -5.568  -3.373   7.905
  275   2HB   ARG  39          2HB       ARG  39  -4.718  -4.713   8.677
  276   1HG   ARG  39          1HG       ARG  39  -2.796  -3.504   8.968
  277   2HG   ARG  39          2HG       ARG  39  -3.007  -2.611   7.461
  278   1HD   ARG  39          1HD       ARG  39  -4.483  -1.065   8.436
  279   2HD   ARG  39          2HD       ARG  39  -4.861  -2.136   9.785
  280    HE   ARG  39           HE       ARG  39  -2.076  -1.485   9.864
  281   1HH1  ARG  39          1HH1      ARG  39  -5.260  -0.372  10.556
  282   2HH1  ARG  39          2HH1      ARG  39  -4.732   0.908  11.595
  283   1HH2  ARG  39          1HH2      ARG  39  -1.358   0.278  11.105
  284   2HH2  ARG  39          2HH2      ARG  39  -2.524   1.276  11.908
  285    H    PHE  40           H        PHE  40  -5.945  -6.410   6.022
  286    HA   PHE  40           HA       PHE  40  -4.489  -8.542   7.383
  287   1HB   PHE  40          1HB       PHE  40  -7.121  -8.151   6.547
  288   2HB   PHE  40          2HB       PHE  40  -6.520  -9.414   5.474
  289    HD1  PHE  40           HD1      PHE  40  -4.435 -10.533   7.450
  290    HD2  PHE  40           HD2      PHE  40  -8.594  -9.542   7.864
  291    HE1  PHE  40           HE1      PHE  40  -4.651 -12.194   9.280
  292    HE2  PHE  40           HE2      PHE  40  -8.809 -11.203   9.694
  293    HZ   PHE  40           HZ       PHE  40  -6.836 -12.528  10.402
  294    H    CYS  41           H        CYS  41  -4.578  -7.227   4.163
  295    HA   CYS  41           HA       CYS  41  -3.305  -9.623   2.998
  296   1HB   CYS  41          1HB       CYS  41  -4.369  -7.032   1.901
  297   2HB   CYS  41          2HB       CYS  41  -3.233  -7.980   0.944
  298    H    TRP  42           H        TRP  42  -2.474  -6.424   4.159
  299    HA   TRP  42           HA       TRP  42   0.180  -6.384   2.967
  300   1HB   TRP  42          1HB       TRP  42  -0.773  -4.261   3.529
  301   2HB   TRP  42          2HB       TRP  42  -1.137  -4.782   5.173
  302    HD1  TRP  42           HD1      TRP  42   1.833  -3.879   2.912
  303    HE1  TRP  42           HE1      TRP  42   3.831  -3.221   4.404
  304    HE3  TRP  42           HE3      TRP  42  -0.103  -4.979   7.508
  305    HZ2  TRP  42           HZ2      TRP  42   4.515  -3.172   7.183
  306    HZ3  TRP  42           HZ3      TRP  42   1.243  -4.618   9.558
  307    HH2  TRP  42           HH2      TRP  42   3.547  -3.717   9.402
  308    H    HIS  43           H        HIS  43  -1.247  -7.824   5.763
  309    HA   HIS  43           HA       HIS  43   1.233  -8.064   7.280
  310   1HB   HIS  43          1HB       HIS  43  -1.584  -8.945   7.573
  311   2HB   HIS  43          2HB       HIS  43  -0.378  -9.980   8.335
  312    HD1  HIS  43           HD1      HIS  43   0.760  -9.115  10.433
  313    HD2  HIS  43           HD2      HIS  43  -1.556  -6.201   8.556
  314    HE1  HIS  43           HE1      HIS  43   0.681  -7.135  12.012
  315    H    ARG  44           H        ARG  44   0.266  -9.457   4.443
  316    HA   ARG  44           HA       ARG  44   1.815 -11.946   5.041
  317   1HB   ARG  44          1HB       ARG  44  -0.841 -11.639   3.975
  318   2HB   ARG  44          2HB       ARG  44   0.197 -12.382   2.757
  319   1HG   ARG  44          1HG       ARG  44   1.009 -13.935   4.635
  320   2HG   ARG  44          2HG       ARG  44  -0.374 -13.349   5.560
  321   1HD   ARG  44          1HD       ARG  44  -0.469 -14.719   2.857
  322   2HD   ARG  44          2HD       ARG  44  -1.005 -15.396   4.395
  323    HE   ARG  44           HE       ARG  44  -2.391 -13.255   2.874
  324   1HH1  ARG  44          1HH1      ARG  44  -2.952 -12.439   5.521
  325   2HH1  ARG  44          2HH1      ARG  44  -4.221 -13.483   6.067
  326   1HH2  ARG  44          1HH2      ARG  44  -3.682 -15.865   3.605
  327   2HH2  ARG  44          2HH2      ARG  44  -4.635 -15.423   4.983
  328    H    ILE  45           H        ILE  45   1.466  -9.149   3.052
  329    HA   ILE  45           HA       ILE  45   3.001 -10.203   0.801
  330    HB   ILE  45           HB       ILE  45   2.311  -7.351   1.569
  331   1HG1  ILE  45          1HG1      ILE  45   1.087  -9.098  -0.579
  332   2HG1  ILE  45          2HG1      ILE  45   0.414  -8.980   1.047
  333   1HG2  ILE  45          1HG2      ILE  45   3.990  -8.516  -0.530
  334   2HG2  ILE  45          2HG2      ILE  45   2.704  -7.494  -1.174
  335   3HG2  ILE  45          3HG2      ILE  45   3.852  -6.837  -0.008
  336   1HD1  ILE  45          1HD1      ILE  45   0.970  -6.533  -0.636
  337   2HD1  ILE  45          2HD1      ILE  45  -0.570  -7.391  -0.710
  338   3HD1  ILE  45          3HD1      ILE  45  -0.041  -6.657   0.803
  339    H    ARG  46           H        ARG  46   3.691  -7.873   3.433
  340    HA   ARG  46           HA       ARG  46   6.468  -7.590   2.746
  341   1HB   ARG  46          1HB       ARG  46   4.843  -6.230   4.397
  342   2HB   ARG  46          2HB       ARG  46   5.627  -7.272   5.586
  343   1HG   ARG  46          2HG       ARG  46   7.166  -5.558   5.553
  344   2HG   ARG  46          1HG       ARG  46   7.807  -6.525   4.224
  345   1HD   ARG  46          1HD       ARG  46   7.173  -5.010   2.642
  346   2HD   ARG  46          2HD       ARG  46   5.668  -4.621   3.475
  347    HE   ARG  46           HE       ARG  46   6.934  -3.076   4.903
  348   1HH1  ARG  46          1HH1      ARG  46   9.049  -4.872   2.938
  349   2HH1  ARG  46          2HH1      ARG  46  10.124  -3.552   2.618
  350   1HH2  ARG  46          1HH2      ARG  46   8.129  -1.198   4.203
  351   2HH2  ARG  46          2HH2      ARG  46   9.603  -1.470   3.336
  352    H    THR  47           H        THR  47   4.774 -10.203   4.043
  353    HA   THR  47           HA       THR  47   7.251 -11.260   5.343
  354    HB   THR  47           HB       THR  47   5.340 -12.990   6.154
  355    HG1  THR  47           HG1      THR  47   3.421 -12.145   6.069
  356   1HG2  THR  47          1HG2      THR  47   6.445 -10.450   7.232
  357   2HG2  THR  47          2HG2      THR  47   5.051 -11.124   8.076
  358   3HG2  THR  47          3HG2      THR  47   6.521 -12.082   7.896
  359    H    ASP  48           H        ASP  48   4.374 -12.785   3.862
  360    HA   ASP  48           HA       ASP  48   5.873 -14.993   2.820
  361   1HB   ASP  48          1HB       ASP  48   3.111 -13.960   2.594
  362   2HB   ASP  48          2HB       ASP  48   3.661 -14.926   1.225
  363    H    GLU  49           H        GLU  49   5.403 -11.765   1.668
  364    HA   GLU  49           HA       GLU  49   6.371 -12.555  -1.042
  365   1HB   GLU  49          1HB       GLU  49   4.322 -10.867  -0.348
  366   2HB   GLU  49          2HB       GLU  49   5.652  -9.732  -0.574
  367   1HG   GLU  49          1HG       GLU  49   5.489  -9.938  -2.806
  368   2HG   GLU  49          2HG       GLU  49   5.724 -11.682  -2.683
  369    H    ASN  50           H        ASN  50   7.315  -9.747  -1.459
  370    HA   ASN  50           HA       ASN  50   9.868  -9.979   0.084
  371   1HB   ASN  50          1HB       ASN  50  10.127 -10.285  -2.354
  372   2HB   ASN  50          2HB       ASN  50   9.367  -8.718  -2.630
  373   2HD2  ASN  50          2HD2      ASN  50  10.983  -7.242  -3.165
  374   1HD2  ASN  50          1HD2      ASN  50  12.487  -7.121  -2.388
  375    H    GLY  51           H        GLY  51   7.088  -8.085  -0.420
  376   1HA   GLY  51          2HA       GLY  51   8.320  -5.877   1.149
  377   2HA   GLY  51          1HA       GLY  51   6.589  -6.204   1.036
  378    H    LEU  52           H        LEU  52   7.391  -6.650  -2.013
  379    HA   LEU  52           HA       LEU  52   7.568  -3.772  -2.756
  380   1HB   LEU  52          1HB       LEU  52   8.059  -6.346  -4.262
  381   2HB   LEU  52          2HB       LEU  52   7.869  -4.809  -5.106
  382    HG   LEU  52           HG       LEU  52   9.945  -5.474  -3.000
  383   1HD1  LEU  52          1HD1      LEU  52   9.868  -5.629  -5.881
  384   2HD1  LEU  52          2HD1      LEU  52  11.058  -4.427  -5.382
  385   3HD1  LEU  52          3HD1      LEU  52  11.175  -6.082  -4.785
  386   1HD2  LEU  52          1HD2      LEU  52   9.175  -2.876  -4.345
  387   2HD2  LEU  52          2HD2      LEU  52   9.342  -3.197  -2.619
  388   3HD2  LEU  52          3HD2      LEU  52  10.775  -3.127  -3.646
  389    H    CYS  53           H        CYS  53   6.176  -3.138  -4.660
  390    HA   CYS  53           HA       CYS  53   3.402  -3.973  -4.137
  391   1HB   CYS  53          1HB       CYS  53   3.944  -1.588  -4.386
  392   2HB   CYS  53          2HB       CYS  53   4.579  -1.893  -5.996
  393    HA   PRO  54           HA       PRO  54   3.687  -6.810  -7.585
  394   1HB   PRO  54          1HB       PRO  54   1.148  -7.818  -7.289
  395   2HB   PRO  54          2HB       PRO  54   2.522  -8.320  -6.291
  396   1HG   PRO  54          2HG       PRO  54   0.233  -6.547  -5.575
  397   2HG   PRO  54          1HG       PRO  54   1.232  -7.567  -4.527
  398   1HD   PRO  54          1HD       PRO  54   1.474  -4.765  -4.827
  399   2HD   PRO  54          2HD       PRO  54   2.665  -5.839  -4.060
  400    H    ALA  55           H        ALA  55   1.695  -4.082  -7.231
  401    HA   ALA  55           HA       ALA  55   0.291  -4.463  -9.800
  402   1HB   ALA  55          1HB       ALA  55   0.009  -2.710  -7.450
  403   2HB   ALA  55          3HB       ALA  55  -0.272  -1.896  -8.990
  404   3HB   ALA  55          2HB       ALA  55  -1.224  -3.316  -8.556
  405    H    CYS  56           H        CYS  56   2.751  -2.295  -8.380
  406    HA   CYS  56           HA       CYS  56   3.457  -1.525 -11.178
  407   1HB   CYS  56          1HB       CYS  56   3.829   0.718 -10.525
  408   2HB   CYS  56          2HB       CYS  56   2.326   0.271  -9.722
  409    H    ARG  57           H        ARG  57   4.564  -2.552  -8.046
  410    HA   ARG  57           HA       ARG  57   6.597  -3.718  -7.643
  411   1HB   ARG  57          1HB       ARG  57   6.831  -3.525 -10.297
  412   2HB   ARG  57          2HB       ARG  57   8.075  -2.361  -9.836
  413   1HG   ARG  57          1HG       ARG  57   9.458  -4.099  -9.470
  414   2HG   ARG  57          2HG       ARG  57   8.436  -4.538  -8.100
  415   1HD   ARG  57          1HD       ARG  57   7.013  -5.894  -9.588
  416   2HD   ARG  57          2HD       ARG  57   8.027  -5.454 -10.962
  417    HE   ARG  57           HE       ARG  57   9.071  -7.015  -8.632
  418   1HH1  ARG  57          1HH1      ARG  57  11.392  -7.092  -9.682
  419   2HH1  ARG  57          2HH1      ARG  57  11.384  -7.948 -11.188
  420   1HH2  ARG  57          1HH2      ARG  57   7.943  -7.778 -11.572
  421   2HH2  ARG  57          2HH2      ARG  57   9.432  -8.337 -12.256
  422    H    LYS  58           H        LYS  58   5.778  -0.876  -6.865
  423    HA   LYS  58           HA       LYS  58   8.422   0.390  -6.481
  424   1HB   LYS  58          1HB       LYS  58   5.659   1.279  -6.392
  425   2HB   LYS  58          2HB       LYS  58   6.512   1.751  -4.926
  426   1HG   LYS  58          1HG       LYS  58   6.959   3.530  -6.398
  427   2HG   LYS  58          2HG       LYS  58   8.400   2.522  -6.535
  428   1HD   LYS  58          1HD       LYS  58   7.279   1.385  -8.512
  429   2HD   LYS  58          2HD       LYS  58   6.054   2.652  -8.444
  430   1HE   LYS  58          1HE       LYS  58   8.823   3.654  -8.371
  431   2HE   LYS  58          2HE       LYS  58   8.395   2.829  -9.869
  432   1HZ   LYS  58          1HZ       LYS  58   6.331   4.246  -9.854
  433   2HZ   LYS  58          2HZ       LYS  58   7.063   5.164  -8.631
  434   3HZ   LYS  58          3HZ       LYS  58   7.789   5.061 -10.163
  435    HA   PRO  59           HA       PRO  59   9.009  -1.263  -2.467
  436   1HB   PRO  59          1HB       PRO  59  10.352   0.820  -1.264
  437   2HB   PRO  59          2HB       PRO  59  11.084  -0.258  -2.466
  438   1HG   PRO  59          2HG       PRO  59  10.162   2.562  -2.788
  439   2HG   PRO  59          1HG       PRO  59  11.416   1.682  -3.679
  440   1HD   PRO  59          1HD       PRO  59   8.798   2.211  -4.605
  441   2HD   PRO  59          2HD       PRO  59   9.940   1.051  -5.315
  442    H    TYR  60           H        TYR  60   7.580  -1.472  -0.779
  443    HA   TYR  60           HA       TYR  60   5.396   0.209  -0.288
  444   1HB   TYR  60          1HB       TYR  60   6.900  -1.657   1.556
  445   2HB   TYR  60          2HB       TYR  60   5.419  -0.836   2.048
  446    HD1  TYR  60           HD1      TYR  60   5.393  -1.420  -1.459
  447    HD2  TYR  60           HD2      TYR  60   4.740  -3.372   2.312
  448    HE1  TYR  60           HE1      TYR  60   4.049  -3.166  -2.595
  449    HE2  TYR  60           HE2      TYR  60   3.394  -5.116   1.174
  450    HH   TYR  60           HH       TYR  60   2.041  -4.838  -1.657
  451    HA   PRO  61           HA       PRO  61   7.518   3.655   1.591
  452   1HB   PRO  61          1HB       PRO  61   5.273   5.210   1.910
  453   2HB   PRO  61          2HB       PRO  61   6.132   5.035   0.371
  454   1HG   PRO  61          2HG       PRO  61   3.526   3.856   1.206
  455   2HG   PRO  61          1HG       PRO  61   4.123   4.221  -0.421
  456   1HD   PRO  61          1HD       PRO  61   4.044   1.661   0.798
  457   2HD   PRO  61          2HD       PRO  61   4.897   2.084  -0.702
  458    H    GLU  62           H        GLU  62   7.974   2.461   3.602
  459    HA   GLU  62           HA       GLU  62   6.269   3.373   5.834
  460   1HB   GLU  62          1HB       GLU  62   5.439   1.082   5.045
  461   2HB   GLU  62          2HB       GLU  62   6.983   0.441   5.608
  462   1HG   GLU  62          1HG       GLU  62   5.392   2.178   7.460
  463   2HG   GLU  62          2HG       GLU  62   4.887   0.503   7.227
  464    H    ASP  63           H        ASP  63   9.019   1.191   5.092
  465    HA   ASP  63           HA       ASP  63  11.206   1.197   5.946
  466   1HB   ASP  63          1HB       ASP  63  11.008   3.689   5.508
  467   2HB   ASP  63          2HB       ASP  63  10.506   3.869   7.189
  468    HA   PRO  64           HA       PRO  64   9.343   0.013  10.021
  469   1HB   PRO  64          1HB       PRO  64   9.612  -2.697   9.657
  470   2HB   PRO  64          2HB       PRO  64   8.170  -1.783   9.177
  471   1HG   PRO  64          2HG       PRO  64  10.335  -2.908   7.463
  472   2HG   PRO  64          1HG       PRO  64   8.645  -2.568   7.056
  473   1HD   PRO  64          1HD       PRO  64  10.876  -0.963   6.365
  474   2HD   PRO  64          2HD       PRO  64   9.169  -0.485   6.253
  475    H    ALA  65           H        ALA  65  11.806  -2.149   8.562
  476    HA   ALA  65           HA       ALA  65  13.583  -1.492  10.880
  477   1HB   ALA  65          1HB       ALA  65  12.588  -4.001  10.034
  478   2HB   ALA  65          3HB       ALA  65  14.292  -3.970   9.581
  479   3HB   ALA  65          2HB       ALA  65  13.821  -3.699  11.259
  480    H    VAL  66           H        VAL  66  14.795   0.127   9.854
  481    HA   VAL  66           HA       VAL  66  16.696  -0.845   7.817
  482    HB   VAL  66           HB       VAL  66  15.309   1.761   7.257
  483   1HG1  VAL  66          1HG1      VAL  66  17.415   0.989   6.078
  484   2HG1  VAL  66          2HG1      VAL  66  16.469  -0.343   5.412
  485   3HG1  VAL  66          3HG1      VAL  66  16.052   1.322   5.008
  486   1HG2  VAL  66          1HG2      VAL  66  13.558  -0.031   7.537
  487   2HG2  VAL  66          2HG2      VAL  66  13.643   0.631   5.904
  488   3HG2  VAL  66          3HG2      VAL  66  14.361  -0.941   6.257
  489    H    TYR  67           H        TYR  67  16.547   0.246  10.677
  490    HA   TYR  67           HA       TYR  67  18.172   2.708  10.432
  491   1HB   TYR  67          2HB       TYR  67  17.551   1.316  13.028
  492   2HB   TYR  67          1HB       TYR  67  17.773   3.039  12.720
  493    HD1  TYR  67           HD1      TYR  67  16.023   4.278  11.350
  494    HD2  TYR  67           HD2      TYR  67  15.403   0.315  12.887
  495    HE1  TYR  67           HE1      TYR  67  13.577   4.538  11.034
  496    HE2  TYR  67           HE2      TYR  67  12.957   0.575  12.571
  497    HH   TYR  67           HH       TYR  67  11.521   3.634  11.784
  498    H    LYS  68           H        LYS  68  19.464   0.533   9.321
  499    HA   LYS  68           HA       LYS  68  21.968   0.516  10.657
  500   1HB   LYS  68          1HB       LYS  68  20.537  -0.917  12.251
  501   2HB   LYS  68          2HB       LYS  68  20.544  -2.132  10.971
  502   1HG   LYS  68          2HG       LYS  68  22.388  -2.680  12.387
  503   2HG   LYS  68          1HG       LYS  68  23.090  -1.909  10.965
  504   1HD   LYS  68          1HD       LYS  68  23.841  -0.134  12.156
  505   2HD   LYS  68          2HD       LYS  68  22.338  -0.006  13.073
  506   1HE   LYS  68          2HE       LYS  68  24.118  -0.588  14.614
  507   2HE   LYS  68          1HE       LYS  68  23.069  -1.993  14.425
  508   1HZ   LYS  68          1HZ       LYS  68  25.059  -2.035  12.436
  509   2HZ   LYS  68          2HZ       LYS  68  25.803  -1.833  13.947
  510   3HZ   LYS  68          3HZ       LYS  68  24.776  -3.160  13.677
  511    HA   PRO  69           HA       PRO  69  21.705  -1.111   6.333
  512   1HB   PRO  69          1HB       PRO  69  23.128   0.951   5.202
  513   2HB   PRO  69          2HB       PRO  69  21.367   0.966   5.394
  514   1HG   PRO  69          2HG       PRO  69  23.435   2.453   6.944
  515   2HG   PRO  69          1HG       PRO  69  21.736   2.867   6.654
  516   1HD   PRO  69          1HD       PRO  69  22.790   1.752   9.034
  517   2HD   PRO  69          2HD       PRO  69  21.070   1.868   8.606
  518    H    LEU  70           H        LEU  70  23.363  -2.368   5.458
  519    HA   LEU  70           HA       LEU  70  25.482  -3.355   5.257
  520   1HB   LEU  70          1HB       LEU  70  25.920  -0.549   5.357
  521   2HB   LEU  70          2HB       LEU  70  27.139  -1.298   6.391
  522    HG   LEU  70           HG       LEU  70  27.857  -1.117   3.997
  523   1HD1  LEU  70          1HD1      LEU  70  28.751  -2.877   5.507
  524   2HD1  LEU  70          2HD1      LEU  70  27.448  -3.953   5.002
  525   3HD1  LEU  70          3HD1      LEU  70  28.663  -3.431   3.834
  526   1HD2  LEU  70          1HD2      LEU  70  25.322  -1.741   3.357
  527   2HD2  LEU  70          2HD2      LEU  70  26.669  -2.081   2.272
  528   3HD2  LEU  70          3HD2      LEU  70  26.018  -3.362   3.295
  529    H    SER  71           H        SER  71  25.372  -4.952   6.833
  530    HA   SER  71           HA       SER  71  26.924  -4.512   9.260
  531   1HB   SER  71          1HB       SER  71  24.112  -4.084   9.382
  532   2HB   SER  71          2HB       SER  71  24.443  -5.607  10.202
  533    HG   SER  71           HG       SER  71  26.299  -4.199  11.106
  534    H    GLN  72           H        GLN  72  27.841  -6.240   7.657
  535    HA   GLN  72           HA       GLN  72  27.654  -8.793   8.857
  536   1HB   GLN  72          1HB       GLN  72  25.369  -8.342   7.409
  537   2HB   GLN  72          2HB       GLN  72  26.386  -9.153   6.218
  538   1HG   GLN  72          1HG       GLN  72  26.286 -10.299   8.978
  539   2HG   GLN  72          2HG       GLN  72  24.890 -10.545   7.929
  540   2HE2  GLN  72          2HE2      GLN  72  25.136 -11.945   6.089
  541   1HE2  GLN  72          1HE2      GLN  72  26.546 -12.851   5.814
  542    H    GLU  73           H        GLU  73  28.051  -7.189   5.690
  543    HA   GLU  73           HA       GLU  73  30.797  -8.204   5.533
  544   1HB   GLU  73          1HB       GLU  73  28.565  -9.324   3.885
  545   2HB   GLU  73          2HB       GLU  73  30.136  -9.095   3.114
  546   1HG   GLU  73          1HG       GLU  73  30.994 -10.266   5.356
  547   2HG   GLU  73          2HG       GLU  73  29.363 -10.941   5.333
  548    H    GLU  74           H        GLU  74  32.042  -7.004   4.041
  549    HA   GLU  74           HA       GLU  74  30.870  -4.447   3.227
  550   1HB   GLU  74          1HB       GLU  74  33.389  -5.190   3.958
  551   2HB   GLU  74          2HB       GLU  74  33.547  -5.202   2.202
  552   1HG   GLU  74          2HG       GLU  74  34.005  -2.973   2.611
  553   2HG   GLU  74          1HG       GLU  74  32.253  -2.883   2.429
  554    H    LEU  75           H        LEU  75  31.677  -3.763   0.826
  555    HA   LEU  75           HA       LEU  75  30.849  -5.985  -0.998
  556   1HB   LEU  75          1HB       LEU  75  29.695  -4.299  -2.384
  557   2HB   LEU  75          2HB       LEU  75  29.031  -4.335  -0.749
  558    HG   LEU  75           HG       LEU  75  31.189  -2.507  -0.683
  559   1HD1  LEU  75          1HD1      LEU  75  30.543  -2.677  -3.297
  560   2HD1  LEU  75          2HD1      LEU  75  29.329  -1.507  -2.779
  561   3HD1  LEU  75          3HD1      LEU  75  31.042  -1.164  -2.539
  562   1HD2  LEU  75          1HD2      LEU  75  28.862  -2.592   0.480
  563   2HD2  LEU  75          2HD2      LEU  75  29.530  -1.011   0.078
  564   3HD2  LEU  75          3HD2      LEU  75  28.287  -1.727  -0.946
  565    H    GLN  76           H        GLN  76  31.836  -5.960  -3.093
  566    HA   GLN  76           HA       GLN  76  33.839  -3.929  -3.744
  567   1HB   GLN  76          1HB       GLN  76  35.685  -5.677  -3.886
  568   2HB   GLN  76          2HB       GLN  76  35.217  -5.208  -2.251
  569   1HG   GLN  76          1HG       GLN  76  33.466  -7.266  -2.786
  570   2HG   GLN  76          2HG       GLN  76  34.934  -7.802  -3.606
  571   2HE2  GLN  76          2HE2      GLN  76  36.842  -6.556  -1.807
  572   1HE2  GLN  76          1HE2      GLN  76  36.747  -7.363  -0.318
  573    H    ARG  77           H        ARG  77  31.410  -5.308  -4.863
  574    HA   ARG  77           HA       ARG  77  32.359  -5.561  -7.585
  575   1HB   ARG  77          1HB       ARG  77  32.620  -7.883  -6.092
  576   2HB   ARG  77          2HB       ARG  77  31.064  -8.101  -6.895
  577   1HG   ARG  77          1HG       ARG  77  32.599  -7.088  -8.932
  578   2HG   ARG  77          2HG       ARG  77  33.778  -8.052  -8.044
  579   1HD   ARG  77          2HD       ARG  77  31.087  -9.035  -9.041
  580   2HD   ARG  77          1HD       ARG  77  32.652  -9.416  -9.760
  581    HE   ARG  77           HE       ARG  77  31.550 -10.597  -7.326
  582   1HH1  ARG  77          1HH1      ARG  77  33.603 -10.609  -5.797
  583   2HH1  ARG  77          2HH1      ARG  77  34.927 -11.457  -6.523
  584   1HH2  ARG  77          1HH2      ARG  77  33.586 -11.348  -9.720
  585   2HH2  ARG  77          2HH2      ARG  77  34.916 -11.879  -8.744
  586    H    ILE  78           H        ILE  78  30.540  -3.828  -6.888
  587    HA   ILE  78           HA       ILE  78  28.189  -4.467  -8.324
  588    HB   ILE  78           HB       ILE  78  27.523  -5.991  -6.613
  589   1HG1  ILE  78          1HG1      ILE  78  26.230  -3.305  -6.025
  590   2HG1  ILE  78          2HG1      ILE  78  25.736  -4.427  -7.294
  591   1HG2  ILE  78          1HG2      ILE  78  29.122  -4.310  -4.973
  592   2HG2  ILE  78          2HG2      ILE  78  27.504  -4.325  -4.270
  593   3HG2  ILE  78          3HG2      ILE  78  28.366  -5.841  -4.533
  594   1HD1  ILE  78          1HD1      ILE  78  25.800  -5.139  -4.349
  595   2HD1  ILE  78          2HD1      ILE  78  24.353  -4.593  -5.196
  596   3HD1  ILE  78          3HD1      ILE  78  25.128  -6.107  -5.661

  No H/Q in entry =         596
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1 -36.066   8.451   8.442
    2    H2   MET   1           H2       MET   1 -37.292   9.016   7.411
    3    H3   MET   1           H3       MET   1 -36.490   7.564   7.056
    4    HA   MET   1           HA       MET   1 -34.422   8.749   6.695
    5   1HB   MET   1          2HB       MET   1 -36.727   9.992   5.165
    6   2HB   MET   1          1HB       MET   1 -35.058   9.849   4.616
    7   1HG   MET   1          2HG       MET   1 -35.817   7.941   3.622
    8   2HG   MET   1          1HG       MET   1 -35.596   7.254   5.231
    9   1HE   MET   1          1HE       MET   1 -37.478   8.667   2.622
   10   2HE   MET   1          2HE       MET   1 -38.624   7.334   2.496
   11   3HE   MET   1          3HE       MET   1 -39.160   8.892   3.120
   12    H    SER   2           H        SER   2 -33.577  10.132   8.269
   13    HA   SER   2           HA       SER   2 -34.039  12.969   7.897
   14   1HB   SER   2          1HB       SER   2 -34.577  12.465  10.709
   15   2HB   SER   2          2HB       SER   2 -35.491  13.436   9.558
   16    HG   SER   2           HG       SER   2 -36.217  11.172  10.567
   17    H    ARG   3           H        ARG   3 -32.233  14.085   8.594
   18    HA   ARG   3           HA       ARG   3 -30.195  14.488   9.712
   19   1HB   ARG   3          1HB       ARG   3 -31.573  12.804  11.472
   20   2HB   ARG   3          2HB       ARG   3 -30.013  12.016  11.237
   21   1HG   ARG   3          1HG       ARG   3 -29.132  14.525  11.537
   22   2HG   ARG   3          2HG       ARG   3 -30.631  14.667  12.457
   23   1HD   ARG   3          1HD       ARG   3 -30.000  12.882  13.930
   24   2HD   ARG   3          2HD       ARG   3 -28.634  12.439  12.905
   25    HE   ARG   3           HE       ARG   3 -27.602  14.637  13.566
   26   1HH1  ARG   3          1HH1      ARG   3 -30.608  14.467  15.020
   27   2HH1  ARG   3          2HH1      ARG   3 -30.055  14.808  16.626
   28   1HH2  ARG   3          1HH2      ARG   3 -26.693  14.585  15.799
   29   2HH2  ARG   3          2HH2      ARG   3 -27.837  14.877  17.066
   30    H    SER   4           H        SER   4 -27.973  13.671   9.563
   31    HA   SER   4           HA       SER   4 -26.311  12.677   8.216
   32   1HB   SER   4          1HB       SER   4 -27.990  10.352   9.172
   33   2HB   SER   4          2HB       SER   4 -26.512  10.119   8.242
   34    HG   SER   4           HG       SER   4 -25.713  11.734   9.982
   35    HA   PRO   5           HA       PRO   5 -28.862  12.500   4.439
   36   1HB   PRO   5          1HB       PRO   5 -27.246  14.227   3.036
   37   2HB   PRO   5          2HB       PRO   5 -28.578  14.757   4.077
   38   1HG   PRO   5          2HG       PRO   5 -25.642  14.885   4.577
   39   2HG   PRO   5          1HG       PRO   5 -26.937  15.900   5.233
   40   1HD   PRO   5          1HD       PRO   5 -25.639  13.779   6.593
   41   2HD   PRO   5          2HD       PRO   5 -27.136  14.589   7.101
   42    H    ASP   6           H        ASP   6 -27.570  12.495   2.007
   43    HA   ASP   6           HA       ASP   6 -25.656  10.217   2.301
   44   1HB   ASP   6          1HB       ASP   6 -27.645  10.930   0.138
   45   2HB   ASP   6          2HB       ASP   6 -26.357   9.753  -0.123
   46    H    ALA   7           H        ALA   7 -23.660  10.361   1.289
   47    HA   ALA   7           HA       ALA   7 -23.136  12.859  -0.272
   48   1HB   ALA   7          1HB       ALA   7 -21.524  11.547   1.910
   49   2HB   ALA   7          2HB       ALA   7 -20.745  12.576   0.708
   50   3HB   ALA   7          3HB       ALA   7 -22.000  13.238   1.756
   51    H    LYS   8           H        LYS   8 -21.588  12.636  -1.992
   52    HA   LYS   8           HA       LYS   8 -21.683  10.145  -3.389
   53   1HB   LYS   8          1HB       LYS   8 -21.222  12.500  -4.334
   54   2HB   LYS   8          2HB       LYS   8 -19.552  12.241  -3.826
   55   1HG   LYS   8          1HG       LYS   8 -19.398  10.233  -5.201
   56   2HG   LYS   8          2HG       LYS   8 -21.102  10.367  -5.638
   57   1HD   LYS   8          2HD       LYS   8 -20.141  11.391  -7.479
   58   2HD   LYS   8          1HD       LYS   8 -20.351  12.792  -6.429
   59   1HE   LYS   8          1HE       LYS   8 -18.126  13.118  -6.334
   60   2HE   LYS   8          2HE       LYS   8 -17.866  11.455  -5.806
   61   1HZ   LYS   8          1HZ       LYS   8 -18.367  12.181  -8.632
   62   2HZ   LYS   8          2HZ       LYS   8 -16.807  12.094  -7.973
   63   3HZ   LYS   8          3HZ       LYS   8 -17.787  10.707  -8.019
   64    H    GLU   9           H        GLU   9 -20.783   8.358  -2.446
   65    HA   GLU   9           HA       GLU   9 -17.869   8.331  -2.059
   66   1HB   GLU   9          1HB       GLU   9 -18.212   7.248   0.254
   67   2HB   GLU   9          2HB       GLU   9 -18.421   8.996   0.158
   68   1HG   GLU   9          1HG       GLU   9 -20.679   8.884   0.515
   69   2HG   GLU   9          2HG       GLU   9 -20.846   7.369  -0.373
   70    H    ASP  10           H        ASP  10 -17.208   6.442  -2.974
   71    HA   ASP  10           HA       ASP  10 -19.211   4.282  -3.308
   72   1HB   ASP  10          1HB       ASP  10 -16.963   5.272  -4.849
   73   2HB   ASP  10          2HB       ASP  10 -16.827   3.533  -4.585
   74    HA   PRO  11           HA       PRO  11 -17.279   1.815  -0.216
   75   1HB   PRO  11          1HB       PRO  11 -18.388  -0.589  -0.949
   76   2HB   PRO  11          2HB       PRO  11 -19.289   0.686  -0.111
   77   1HG   PRO  11          2HG       PRO  11 -19.443  -0.150  -2.968
   78   2HG   PRO  11          1HG       PRO  11 -20.671   0.635  -1.961
   79   1HD   PRO  11          1HD       PRO  11 -19.031   1.907  -3.898
   80   2HD   PRO  11          2HD       PRO  11 -20.052   2.716  -2.690
   81    H    VAL  12           H        VAL  12 -15.092   1.353  -0.421
   82    HA   VAL  12           HA       VAL  12 -14.114  -0.044  -2.839
   83    HB   VAL  12           HB       VAL  12 -12.337   0.649  -0.527
   84   1HG1  VAL  12          1HG1      VAL  12 -11.588  -0.467  -2.689
   85   2HG1  VAL  12          2HG1      VAL  12 -11.984   1.044  -3.507
   86   3HG1  VAL  12          3HG1      VAL  12 -10.729   1.015  -2.269
   87   1HG2  VAL  12          1HG2      VAL  12 -13.758   2.591  -2.348
   88   2HG2  VAL  12          2HG2      VAL  12 -13.536   2.683  -0.601
   89   3HG2  VAL  12          3HG2      VAL  12 -12.171   2.972  -1.679
   90    H    GLU  13           H        GLU  13 -12.681  -1.975  -2.556
   91    HA   GLU  13           HA       GLU  13 -12.931  -3.440  -0.021
   92   1HB   GLU  13          1HB       GLU  13 -13.872  -5.466  -1.349
   93   2HB   GLU  13          2HB       GLU  13 -14.993  -4.193  -0.867
   94   1HG   GLU  13          1HG       GLU  13 -13.908  -3.387  -3.354
   95   2HG   GLU  13          2HG       GLU  13 -14.322  -5.094  -3.523
   96    H    CYS  14           H        CYS  14 -11.127  -4.642   0.276
   97    HA   CYS  14           HA       CYS  14  -8.926  -4.572  -1.491
   98   1HB   CYS  14          1HB       CYS  14  -8.815  -5.144   0.943
   99   2HB   CYS  14          2HB       CYS  14  -9.515  -6.717   0.570
  100    HA   PRO  15           HA       PRO  15 -10.543  -7.667  -4.337
  101   1HB   PRO  15          1HB       PRO  15  -8.808  -7.013  -6.362
  102   2HB   PRO  15          2HB       PRO  15 -10.298  -6.112  -6.030
  103   1HG   PRO  15          2HG       PRO  15  -7.476  -5.335  -5.477
  104   2HG   PRO  15          1HG       PRO  15  -8.895  -4.304  -5.725
  105   1HD   PRO  15          1HD       PRO  15  -7.708  -4.958  -3.224
  106   2HD   PRO  15          2HD       PRO  15  -9.271  -4.151  -3.472
  107    H    LEU  16           H        LEU  16  -7.393  -7.234  -2.994
  108    HA   LEU  16           HA       LEU  16  -6.096  -9.471  -4.303
  109   1HB   LEU  16          2HB       LEU  16  -5.383  -8.141  -1.674
  110   2HB   LEU  16          1HB       LEU  16  -4.319  -9.134  -2.673
  111    HG   LEU  16           HG       LEU  16  -5.484  -7.030  -4.273
  112   1HD1  LEU  16          1HD1      LEU  16  -5.246  -6.178  -1.680
  113   2HD1  LEU  16          2HD1      LEU  16  -3.660  -5.769  -2.330
  114   3HD1  LEU  16          3HD1      LEU  16  -5.115  -5.126  -3.088
  115   1HD2  LEU  16          1HD2      LEU  16  -2.891  -8.263  -3.666
  116   2HD2  LEU  16          2HD2      LEU  16  -3.496  -7.619  -5.192
  117   3HD2  LEU  16          3HD2      LEU  16  -2.769  -6.534  -4.006
  118    H    CYS  17           H        CYS  17  -8.041  -9.106  -1.378
  119    HA   CYS  17           HA       CYS  17  -7.848 -12.073  -1.036
  120   1HB   CYS  17          1HB       CYS  17  -7.798 -11.851   1.352
  121   2HB   CYS  17          2HB       CYS  17  -6.565 -10.759   0.727
  122    H    MET  18           H        MET  18  -9.801  -9.392  -1.547
  123    HA   MET  18           HA       MET  18 -12.118  -9.292  -1.848
  124   1HB   MET  18          1HB       MET  18 -11.622 -12.020  -1.881
  125   2HB   MET  18          2HB       MET  18 -12.807 -11.843  -0.586
  126   1HG   MET  18          1HG       MET  18 -14.370 -11.792  -2.222
  127   2HG   MET  18          2HG       MET  18 -13.783 -10.165  -2.572
  128   1HE   MET  18          1HE       MET  18 -14.851 -10.563  -4.869
  129   2HE   MET  18          2HE       MET  18 -13.392  -9.566  -4.944
  130   3HE   MET  18          3HE       MET  18 -13.690 -10.791  -6.175
  131    H    GLU  19           H        GLU  19 -12.315  -7.680  -0.238
  132    HA   GLU  19           HA       GLU  19 -13.819  -8.442   2.112
  133   1HB   GLU  19          1HB       GLU  19 -10.952  -8.349   2.367
  134   2HB   GLU  19          2HB       GLU  19 -11.663  -7.041   3.311
  135   1HG   GLU  19          1HG       GLU  19 -12.346  -8.503   4.877
  136   2HG   GLU  19          2HG       GLU  19 -13.251  -9.408   3.662
  137    HA   PRO  20           HA       PRO  20 -15.017  -4.253   1.597
  138   1HB   PRO  20          1HB       PRO  20 -16.223  -3.869   4.036
  139   2HB   PRO  20          2HB       PRO  20 -16.943  -4.818   2.725
  140   1HG   PRO  20          2HG       PRO  20 -15.674  -5.769   5.250
  141   2HG   PRO  20          1HG       PRO  20 -16.909  -6.552   4.251
  142   1HD   PRO  20          1HD       PRO  20 -14.151  -7.196   4.289
  143   2HD   PRO  20          2HD       PRO  20 -15.337  -7.740   3.082
  144    H    LEU  21           H        LEU  21 -13.879  -2.363   1.806
  145    HA   LEU  21           HA       LEU  21 -11.728  -2.147   3.769
  146   1HB   LEU  21          1HB       LEU  21 -12.752  -0.492   1.492
  147   2HB   LEU  21          2HB       LEU  21 -11.748   0.295   2.710
  148    HG   LEU  21           HG       LEU  21 -10.940  -2.283   1.349
  149   1HD1  LEU  21          1HD1      LEU  21 -10.583   0.587   0.520
  150   2HD1  LEU  21          2HD1      LEU  21  -9.333  -0.598   0.139
  151   3HD1  LEU  21          3HD1      LEU  21 -10.973  -0.815  -0.475
  152   1HD2  LEU  21          1HD2      LEU  21  -9.931  -1.519   3.580
  153   2HD2  LEU  21          2HD2      LEU  21  -8.789  -1.827   2.271
  154   3HD2  LEU  21          3HD2      LEU  21  -9.234  -0.172   2.681
  155    H    GLU  22           H        GLU  22 -11.801   0.503   4.565
  156    HA   GLU  22           HA       GLU  22 -14.440   1.080   5.719
  157   1HB   GLU  22          1HB       GLU  22 -12.423  -0.365   7.212
  158   2HB   GLU  22          2HB       GLU  22 -12.759   1.191   7.973
  159   1HG   GLU  22          1HG       GLU  22 -15.179  -0.179   7.040
  160   2HG   GLU  22          2HG       GLU  22 -14.297  -1.089   8.267
  161    H    ILE  23           H        ILE  23 -13.903   2.992   7.503
  162    HA   ILE  23           HA       ILE  23 -12.967   5.187   5.914
  163    HB   ILE  23           HB       ILE  23 -13.375   4.996   8.914
  164   1HG1  ILE  23          1HG1      ILE  23 -15.374   4.473   7.497
  165   2HG1  ILE  23          2HG1      ILE  23 -15.574   5.944   8.450
  166   1HG2  ILE  23          1HG2      ILE  23 -12.626   7.206   7.068
  167   2HG2  ILE  23          2HG2      ILE  23 -13.836   7.580   8.293
  168   3HG2  ILE  23          3HG2      ILE  23 -12.246   6.990   8.776
  169   1HD1  ILE  23          1HD1      ILE  23 -14.322   6.579   5.928
  170   2HD1  ILE  23          2HD1      ILE  23 -15.814   5.680   5.647
  171   3HD1  ILE  23          3HD1      ILE  23 -15.847   7.173   6.587
  172    H    ASP  24           H        ASP  24 -11.544   3.885   8.939
  173    HA   ASP  24           HA       ASP  24  -9.037   5.254   8.517
  174   1HB   ASP  24          1HB       ASP  24 -10.085   4.299  10.719
  175   2HB   ASP  24          2HB       ASP  24  -9.296   2.797  10.235
  176    H    ASP  25           H        ASP  25 -10.353   2.625   6.929
  177    HA   ASP  25           HA       ASP  25  -7.689   1.370   6.463
  178   1HB   ASP  25          1HB       ASP  25 -10.509   0.408   5.916
  179   2HB   ASP  25          2HB       ASP  25  -9.070  -0.445   5.359
  180    H    ILE  26           H        ILE  26  -9.968   3.482   5.036
  181    HA   ILE  26           HA       ILE  26  -9.136   2.845   2.273
  182    HB   ILE  26           HB       ILE  26 -11.079   4.835   3.463
  183   1HG1  ILE  26          1HG1      ILE  26 -11.745   2.814   1.363
  184   2HG1  ILE  26          2HG1      ILE  26 -11.452   2.225   3.000
  185   1HG2  ILE  26          1HG2      ILE  26  -9.758   4.794   0.821
  186   2HG2  ILE  26          2HG2      ILE  26 -11.518   4.915   0.761
  187   3HG2  ILE  26          3HG2      ILE  26 -10.579   6.116   1.649
  188   1HD1  ILE  26          1HD1      ILE  26 -13.065   4.208   3.670
  189   2HD1  ILE  26          2HD1      ILE  26 -13.615   4.047   2.002
  190   3HD1  ILE  26          3HD1      ILE  26 -13.731   2.676   3.104
  191    H    ASN  27           H        ASN  27  -6.816   3.440   3.095
  192    HA   ASN  27           HA       ASN  27  -5.988   5.850   1.866
  193   1HB   ASN  27          1HB       ASN  27  -7.282   6.606   4.080
  194   2HB   ASN  27          2HB       ASN  27  -5.726   6.244   4.816
  195   2HD2  ASN  27          2HD2      ASN  27  -6.513   8.911   4.824
  196   1HD2  ASN  27          1HD2      ASN  27  -5.597   9.795   3.701
  197    H    PHE  28           H        PHE  28  -5.395   3.405   4.330
  198    HA   PHE  28           HA       PHE  28  -2.500   3.823   4.298
  199   1HB   PHE  28          1HB       PHE  28  -3.428   2.938   6.332
  200   2HB   PHE  28          2HB       PHE  28  -4.254   1.645   5.461
  201    HD1  PHE  28           HD1      PHE  28  -0.870   2.997   6.272
  202    HD2  PHE  28           HD2      PHE  28  -3.164  -0.406   5.004
  203    HE1  PHE  28           HE1      PHE  28   1.142   1.563   6.481
  204    HE2  PHE  28           HE2      PHE  28  -1.150  -1.841   5.213
  205    HZ   PHE  28           HZ       PHE  28   1.002  -0.856   5.951
  206    H    PHE  29           H        PHE  29  -1.683   3.473   2.233
  207    HA   PHE  29           HA       PHE  29  -2.324   0.845   0.959
  208   1HB   PHE  29          1HB       PHE  29  -0.977   2.155  -0.984
  209   2HB   PHE  29          2HB       PHE  29  -2.721   2.301  -0.776
  210    HD1  PHE  29           HD1      PHE  29   0.546   3.885   0.083
  211    HD2  PHE  29           HD2      PHE  29  -3.722   4.344  -0.129
  212    HE1  PHE  29           HE1      PHE  29   0.779   6.315   0.544
  213    HE2  PHE  29           HE2      PHE  29  -3.494   6.764   0.340
  214    HZ   PHE  29           HZ       PHE  29  -1.239   7.754   0.673
  215    HA   PRO  30           HA       PRO  30   1.792  -0.412   1.817
  216   1HB   PRO  30          1HB       PRO  30   1.972  -2.417  -0.058
  217   2HB   PRO  30          2HB       PRO  30   1.055  -2.570   1.452
  218   1HG   PRO  30          2HG       PRO  30   0.042  -2.180  -1.326
  219   2HG   PRO  30          1HG       PRO  30  -0.752  -2.943   0.061
  220   1HD   PRO  30          1HD       PRO  30  -1.250  -0.327  -0.904
  221   2HD   PRO  30          2HD       PRO  30  -1.781  -0.982   0.660
  222    H    CYS  31           H        CYS  31   0.782   0.721  -1.309
  223    HA   CYS  31           HA       CYS  31   3.628   1.354  -1.961
  224   1HB   CYS  31          1HB       CYS  31   2.827  -0.506  -3.385
  225   2HB   CYS  31          2HB       CYS  31   1.476   0.493  -3.918
  226    H    THR  32           H        THR  32   3.818   3.269  -3.418
  227    HA   THR  32           HA       THR  32   1.930   5.348  -2.593
  228    HB   THR  32           HB       THR  32   4.354   5.807  -2.709
  229    HG1  THR  32           HG1      THR  32   4.059   7.629  -4.332
  230   1HG2  THR  32          1HG2      THR  32   3.925   5.194  -5.639
  231   2HG2  THR  32          2HG2      THR  32   5.337   6.060  -5.036
  232   3HG2  THR  32          3HG2      THR  32   5.037   4.399  -4.526
  233    H    CYS  33           H        CYS  33   2.655   3.566  -5.579
  234    HA   CYS  33           HA       CYS  33   1.417   5.136  -7.499
  235   1HB   CYS  33          1HB       CYS  33   0.989   3.161  -8.769
  236   2HB   CYS  33          2HB       CYS  33   2.443   2.830  -7.832
  237    H    GLY  34           H        GLY  34  -0.238   3.020  -5.141
  238   1HA   GLY  34          2HA       GLY  34  -2.786   4.342  -5.978
  239   2HA   GLY  34          1HA       GLY  34  -2.357   4.183  -4.275
  240    H    TYR  35           H        TYR  35  -1.181   1.414  -4.931
  241    HA   TYR  35           HA       TYR  35  -3.638  -0.073  -5.623
  242   1HB   TYR  35          1HB       TYR  35  -1.152  -0.700  -6.259
  243   2HB   TYR  35          2HB       TYR  35  -1.135  -1.423  -4.651
  244    HD1  TYR  35           HD1      TYR  35  -3.782  -1.130  -7.289
  245    HD2  TYR  35           HD2      TYR  35  -1.436  -3.751  -4.817
  246    HE1  TYR  35           HE1      TYR  35  -5.043  -3.080  -8.155
  247    HE2  TYR  35           HE2      TYR  35  -2.699  -5.698  -5.687
  248    HH   TYR  35           HH       TYR  35  -4.676  -6.269  -6.773
  249    H    GLN  36           H        GLN  36  -4.074   1.420  -3.399
  250    HA   GLN  36           HA       GLN  36  -3.483   0.600  -0.852
  251   1HB   GLN  36          1HB       GLN  36  -5.254   2.316  -1.697
  252   2HB   GLN  36          2HB       GLN  36  -6.377   0.959  -1.604
  253   1HG   GLN  36          1HG       GLN  36  -6.198   0.790   0.709
  254   2HG   GLN  36          2HG       GLN  36  -4.598   1.533   0.741
  255   2HE2  GLN  36          2HE2      GLN  36  -8.070   2.287   0.286
  256   1HE2  GLN  36          1HE2      GLN  36  -7.927   3.931   0.684
  257    H    ILE  37           H        ILE  37  -4.218  -1.021   0.587
  258    HA   ILE  37           HA       ILE  37  -5.918  -3.185  -0.488
  259    HB   ILE  37           HB       ILE  37  -4.316  -4.924  -0.160
  260   1HG1  ILE  37          1HG1      ILE  37  -2.430  -2.834   0.975
  261   2HG1  ILE  37          2HG1      ILE  37  -3.383  -3.945   1.960
  262   1HG2  ILE  37          1HG2      ILE  37  -4.028  -3.443  -2.208
  263   2HG2  ILE  37          2HG2      ILE  37  -2.716  -2.644  -1.343
  264   3HG2  ILE  37          3HG2      ILE  37  -2.595  -4.357  -1.737
  265   1HD1  ILE  37          1HD1      ILE  37  -1.587  -4.981  -0.226
  266   2HD1  ILE  37          2HD1      ILE  37  -0.943  -4.619   1.376
  267   3HD1  ILE  37          3HD1      ILE  37  -2.208  -5.833   1.188
  268    H    CYS  38           H        CYS  38  -6.485  -4.747   1.301
  269    HA   CYS  38           HA       CYS  38  -7.244  -3.344   3.662
  270   1HB   CYS  38          2HB       CYS  38  -8.129  -5.404   4.433
  271   2HB   CYS  38          1HB       CYS  38  -8.251  -5.506   2.679
  272    H    ARG  39           H        ARG  39  -6.464  -3.823   5.903
  273    HA   ARG  39           HA       ARG  39  -3.572  -3.634   5.999
  274   1HB   ARG  39          1HB       ARG  39  -5.672  -3.853   8.169
  275   2HB   ARG  39          2HB       ARG  39  -3.952  -3.632   8.495
  276   1HG   ARG  39          1HG       ARG  39  -3.967  -1.563   7.137
  277   2HG   ARG  39          2HG       ARG  39  -5.694  -1.775   6.848
  278   1HD   ARG  39          1HD       ARG  39  -5.270  -0.184   8.697
  279   2HD   ARG  39          2HD       ARG  39  -6.137  -1.614   9.257
  280    HE   ARG  39           HE       ARG  39  -4.296  -2.054  10.648
  281   1HH1  ARG  39          1HH1      ARG  39  -2.052  -2.870   9.633
  282   2HH1  ARG  39          2HH1      ARG  39  -0.981  -1.533   9.380
  283   1HH2  ARG  39          1HH2      ARG  39  -3.488   0.854   9.581
  284   2HH2  ARG  39          2HH2      ARG  39  -1.794   0.578   9.350
  285    H    PHE  40           H        PHE  40  -5.591  -6.293   5.732
  286    HA   PHE  40           HA       PHE  40  -3.856  -8.067   7.354
  287   1HB   PHE  40          1HB       PHE  40  -6.499  -8.166   7.081
  288   2HB   PHE  40          2HB       PHE  40  -6.083  -9.111   5.650
  289    HD1  PHE  40           HD1      PHE  40  -4.545  -8.843   9.064
  290    HD2  PHE  40           HD2      PHE  40  -6.339 -11.383   6.101
  291    HE1  PHE  40           HE1      PHE  40  -4.098 -10.822  10.490
  292    HE2  PHE  40           HE2      PHE  40  -5.894 -13.362   7.528
  293    HZ   PHE  40           HZ       PHE  40  -4.773 -13.081   9.723
  294    H    CYS  41           H        CYS  41  -4.145  -6.954   4.129
  295    HA   CYS  41           HA       CYS  41  -2.854  -9.351   2.974
  296   1HB   CYS  41          1HB       CYS  41  -4.121  -6.873   1.895
  297   2HB   CYS  41          2HB       CYS  41  -2.860  -7.627   0.921
  298    H    TRP  42           H        TRP  42  -2.074  -6.081   3.978
  299    HA   TRP  42           HA       TRP  42   0.559  -6.085   2.719
  300   1HB   TRP  42          1HB       TRP  42  -0.478  -3.944   3.069
  301   2HB   TRP  42          2HB       TRP  42  -0.755  -4.291   4.775
  302    HD1  TRP  42           HD1      TRP  42   2.307  -4.126   2.399
  303    HE1  TRP  42           HE1      TRP  42   4.254  -3.034   3.691
  304    HE3  TRP  42           HE3      TRP  42   0.066  -3.413   6.929
  305    HZ2  TRP  42           HZ2      TRP  42   4.788  -1.994   6.305
  306    HZ3  TRP  42           HZ3      TRP  42   1.312  -2.373   8.801
  307    HH2  TRP  42           HH2      TRP  42   3.668  -1.663   8.496
  308    H    HIS  43           H        HIS  43  -0.773  -6.884   5.882
  309    HA   HIS  43           HA       HIS  43   1.748  -7.027   7.269
  310   1HB   HIS  43          1HB       HIS  43  -1.039  -7.590   7.825
  311   2HB   HIS  43          2HB       HIS  43  -0.010  -8.872   8.461
  312    HD1  HIS  43           HD1      HIS  43   1.851  -8.158  10.193
  313    HD2  HIS  43           HD2      HIS  43  -0.815  -5.124   9.160
  314    HE1  HIS  43           HE1      HIS  43   2.163  -6.316  11.904
  315    H    ARG  44           H        ARG  44   0.269  -9.065   4.931
  316    HA   ARG  44           HA       ARG  44   1.879 -11.411   5.792
  317   1HB   ARG  44          1HB       ARG  44  -0.627 -11.471   5.022
  318   2HB   ARG  44          2HB       ARG  44   0.058 -11.386   3.399
  319   1HG   ARG  44          1HG       ARG  44   1.623 -13.320   4.295
  320   2HG   ARG  44          2HG       ARG  44   0.308 -13.561   5.446
  321   1HD   ARG  44          1HD       ARG  44  -0.724 -13.180   2.758
  322   2HD   ARG  44          2HD       ARG  44   0.419 -14.523   2.813
  323    HE   ARG  44           HE       ARG  44  -1.949 -14.351   4.636
  324   1HH1  ARG  44          1HH1      ARG  44   0.039 -16.442   5.292
  325   2HH1  ARG  44          2HH1      ARG  44  -0.542 -17.815   4.410
  326   1HH2  ARG  44          1HH2      ARG  44  -2.601 -15.948   2.339
  327   2HH2  ARG  44          2HH2      ARG  44  -2.035 -17.535   2.738
  328    H    ILE  45           H        ILE  45   1.628  -9.015   3.230
  329    HA   ILE  45           HA       ILE  45   3.472 -10.327   1.425
  330    HB   ILE  45           HB       ILE  45   2.564  -7.444   1.651
  331   1HG1  ILE  45          1HG1      ILE  45   1.810  -9.694  -0.244
  332   2HG1  ILE  45          2HG1      ILE  45   0.809  -9.090   1.077
  333   1HG2  ILE  45          1HG2      ILE  45   4.851  -8.252   0.383
  334   2HG2  ILE  45          2HG2      ILE  45   3.661  -8.450  -0.902
  335   3HG2  ILE  45          3HG2      ILE  45   3.870  -6.880  -0.129
  336   1HD1  ILE  45          1HD1      ILE  45   1.716  -6.910  -0.605
  337   2HD1  ILE  45          2HD1      ILE  45   0.869  -8.125  -1.561
  338   3HD1  ILE  45          3HD1      ILE  45   0.070  -7.373  -0.181
  339    H    ARG  46           H        ARG  46   3.820  -7.905   3.997
  340    HA   ARG  46           HA       ARG  46   6.685  -7.578   3.449
  341   1HB   ARG  46          1HB       ARG  46   4.674  -6.207   4.991
  342   2HB   ARG  46          2HB       ARG  46   6.055  -6.580   6.025
  343   1HG   ARG  46          1HG       ARG  46   7.298  -5.742   3.725
  344   2HG   ARG  46          2HG       ARG  46   5.864  -4.714   3.751
  345   1HD   ARG  46          1HD       ARG  46   6.935  -3.415   5.249
  346   2HD   ARG  46          2HD       ARG  46   6.773  -4.740   6.403
  347    HE   ARG  46           HE       ARG  46   9.153  -4.457   4.608
  348   1HH1  ARG  46          1HH1      ARG  46  10.310  -6.471   5.523
  349   2HH1  ARG  46          2HH1      ARG  46  10.590  -6.371   7.230
  350   1HH2  ARG  46          1HH2      ARG  46   8.347  -3.772   7.717
  351   2HH2  ARG  46          2HH2      ARG  46   9.481  -4.843   8.471
  352    H    THR  47           H        THR  47   5.149 -10.154   4.545
  353    HA   THR  47           HA       THR  47   7.412 -10.933   6.287
  354    HB   THR  47           HB       THR  47   5.914 -11.809   8.031
  355    HG1  THR  47           HG1      THR  47   4.115 -12.101   6.597
  356   1HG2  THR  47          1HG2      THR  47   5.397  -8.903   7.346
  357   2HG2  THR  47          2HG2      THR  47   5.122  -9.639   8.925
  358   3HG2  THR  47          3HG2      THR  47   6.758  -9.520   8.279
  359    H    ASP  48           H        ASP  48   5.890 -11.578   3.606
  360    HA   ASP  48           HA       ASP  48   6.526 -14.406   3.649
  361   1HB   ASP  48          1HB       ASP  48   4.149 -14.049   4.765
  362   2HB   ASP  48          2HB       ASP  48   3.626 -13.903   3.087
  363    H    GLU  49           H        GLU  49   4.188 -12.306   1.917
  364    HA   GLU  49           HA       GLU  49   5.022 -13.345  -0.661
  365   1HB   GLU  49          1HB       GLU  49   2.779 -12.092   0.197
  366   2HB   GLU  49          2HB       GLU  49   3.622 -10.729  -0.538
  367   1HG   GLU  49          2HG       GLU  49   2.455 -11.600  -2.366
  368   2HG   GLU  49          1HG       GLU  49   4.018 -12.400  -2.525
  369    H    ASN  50           H        ASN  50   4.976 -10.645  -1.954
  370    HA   ASN  50           HA       ASN  50   7.809  -9.927  -1.343
  371   1HB   ASN  50          1HB       ASN  50   6.604 -10.576  -3.756
  372   2HB   ASN  50          2HB       ASN  50   6.659  -8.814  -3.797
  373   2HD2  ASN  50          2HD2      ASN  50   8.533  -8.157  -4.849
  374   1HD2  ASN  50          1HD2      ASN  50  10.059  -8.879  -4.671
  375    H    GLY  51           H        GLY  51   7.979  -8.112  -0.131
  376   1HA   GLY  51          2HA       GLY  51   7.656  -5.896   0.573
  377   2HA   GLY  51          1HA       GLY  51   5.941  -6.296   0.501
  378    H    LEU  52           H        LEU  52   7.661  -6.593  -2.481
  379    HA   LEU  52           HA       LEU  52   7.497  -3.896  -3.398
  380   1HB   LEU  52          1HB       LEU  52   7.434  -6.514  -4.926
  381   2HB   LEU  52          2HB       LEU  52   7.544  -4.935  -5.697
  382    HG   LEU  52           HG       LEU  52   9.575  -6.354  -3.993
  383   1HD1  LEU  52          1HD1      LEU  52   9.460  -6.269  -6.588
  384   2HD1  LEU  52          2HD1      LEU  52  10.004  -4.602  -6.408
  385   3HD1  LEU  52          3HD1      LEU  52  11.008  -5.925  -5.815
  386   1HD2  LEU  52          1HD2      LEU  52   9.399  -3.355  -4.448
  387   2HD2  LEU  52          2HD2      LEU  52   9.308  -4.180  -2.892
  388   3HD2  LEU  52          3HD2      LEU  52  10.815  -4.190  -3.808
  389    H    CYS  53           H        CYS  53   6.009  -3.501  -5.469
  390    HA   CYS  53           HA       CYS  53   3.245  -3.738  -4.469
  391   1HB   CYS  53          1HB       CYS  53   4.276  -1.580  -5.379
  392   2HB   CYS  53          2HB       CYS  53   4.153  -2.320  -6.974
  393    HA   PRO  54           HA       PRO  54   2.542  -7.042  -7.393
  394   1HB   PRO  54          1HB       PRO  54  -0.048  -7.514  -6.608
  395   2HB   PRO  54          2HB       PRO  54   1.361  -8.106  -5.711
  396   1HG   PRO  54          2HG       PRO  54  -0.493  -5.876  -5.030
  397   2HG   PRO  54          1HG       PRO  54   0.510  -6.869  -3.959
  398   1HD   PRO  54          1HD       PRO  54   1.089  -4.224  -4.830
  399   2HD   PRO  54          2HD       PRO  54   2.198  -5.322  -3.981
  400    H    ALA  55           H        ALA  55   1.573  -3.925  -7.544
  401    HA   ALA  55           HA       ALA  55  -0.267  -4.433  -9.848
  402   1HB   ALA  55          1HB       ALA  55  -0.608  -2.776  -7.490
  403   2HB   ALA  55          3HB       ALA  55  -0.703  -1.805  -8.960
  404   3HB   ALA  55          2HB       ALA  55  -1.780  -3.184  -8.743
  405    H    CYS  56           H        CYS  56   2.343  -2.366  -8.566
  406    HA   CYS  56           HA       CYS  56   2.811  -1.499 -11.391
  407   1HB   CYS  56          1HB       CYS  56   3.284   0.700 -10.713
  408   2HB   CYS  56          2HB       CYS  56   1.911   0.260  -9.702
  409    H    ARG  57           H        ARG  57   4.112  -3.086  -8.693
  410    HA   ARG  57           HA       ARG  57   6.224  -4.114  -8.471
  411   1HB   ARG  57          1HB       ARG  57   6.071  -3.612 -11.189
  412   2HB   ARG  57          2HB       ARG  57   7.547  -2.770 -10.714
  413   1HG   ARG  57          1HG       ARG  57   8.647  -4.703 -10.210
  414   2HG   ARG  57          2HG       ARG  57   7.206  -5.460  -9.532
  415   1HD   ARG  57          1HD       ARG  57   6.355  -5.594 -11.965
  416   2HD   ARG  57          2HD       ARG  57   8.021  -5.253 -12.431
  417    HE   ARG  57           HE       ARG  57   8.670  -7.348 -11.255
  418   1HH1  ARG  57          1HH1      ARG  57   7.133  -8.657  -9.622
  419   2HH1  ARG  57          2HH1      ARG  57   5.882  -9.477 -10.495
  420   1HH2  ARG  57          1HH2      ARG  57   6.278  -7.578 -13.369
  421   2HH2  ARG  57          2HH2      ARG  57   5.397  -8.865 -12.617
  422    H    LYS  58           H        LYS  58   5.944  -2.241  -6.759
  423    HA   LYS  58           HA       LYS  58   8.452  -0.653  -6.850
  424   1HB   LYS  58          1HB       LYS  58   5.655   0.387  -6.600
  425   2HB   LYS  58          2HB       LYS  58   6.909   1.150  -5.622
  426   1HG   LYS  58          1HG       LYS  58   7.867   0.744  -8.320
  427   2HG   LYS  58          2HG       LYS  58   6.345   1.637  -8.343
  428   1HD   LYS  58          1HD       LYS  58   7.256   3.469  -7.344
  429   2HD   LYS  58          2HD       LYS  58   8.250   2.499  -6.256
  430   1HE   LYS  58          1HE       LYS  58   9.888   2.108  -7.976
  431   2HE   LYS  58          2HE       LYS  58   8.844   2.815  -9.209
  432   1HZ   LYS  58          1HZ       LYS  58   9.761   4.352  -6.854
  433   2HZ   LYS  58          2HZ       LYS  58  10.670   4.275  -8.283
  434   3HZ   LYS  58          3HZ       LYS  58   9.107   4.942  -8.306
  435    HA   PRO  59           HA       PRO  59   8.688  -2.216  -2.750
  436   1HB   PRO  59          1HB       PRO  59  10.536  -0.434  -1.750
  437   2HB   PRO  59          2HB       PRO  59  10.950  -1.781  -2.825
  438   1HG   PRO  59          2HG       PRO  59  10.755   1.134  -3.451
  439   2HG   PRO  59          1HG       PRO  59  11.753  -0.114  -4.216
  440   1HD   PRO  59          1HD       PRO  59   9.360   0.932  -5.273
  441   2HD   PRO  59          2HD       PRO  59  10.147  -0.573  -5.796
  442    H    TYR  60           H        TYR  60   7.067  -1.887  -1.280
  443    HA   TYR  60           HA       TYR  60   5.425   0.273  -0.918
  444   1HB   TYR  60          1HB       TYR  60   6.551  -1.429   1.323
  445   2HB   TYR  60          2HB       TYR  60   5.076  -0.470   1.415
  446    HD1  TYR  60           HD1      TYR  60   4.642  -1.204  -1.747
  447    HD2  TYR  60           HD2      TYR  60   5.068  -3.404   1.919
  448    HE1  TYR  60           HE1      TYR  60   3.360  -3.084  -2.725
  449    HE2  TYR  60           HE2      TYR  60   3.785  -5.284   0.938
  450    HH   TYR  60           HH       TYR  60   2.057  -4.980  -2.021
  451    HA   PRO  61           HA       PRO  61   8.218   3.427   0.513
  452   1HB   PRO  61          1HB       PRO  61   6.323   5.410   0.693
  453   2HB   PRO  61          2HB       PRO  61   7.061   4.898  -0.834
  454   1HG   PRO  61          2HG       PRO  61   4.324   4.344   0.202
  455   2HG   PRO  61          1HG       PRO  61   4.901   4.400  -1.472
  456   1HD   PRO  61          1HD       PRO  61   4.404   2.057   0.047
  457   2HD   PRO  61          2HD       PRO  61   5.255   2.138  -1.511
  458    H    GLU  62           H        GLU  62   5.266   2.423   2.115
  459    HA   GLU  62           HA       GLU  62   4.619   2.495   4.371
  460   1HB   GLU  62          2HB       GLU  62   7.533   2.769   5.073
  461   2HB   GLU  62          1HB       GLU  62   6.281   1.833   5.889
  462   1HG   GLU  62          2HG       GLU  62   7.046   0.039   4.754
  463   2HG   GLU  62          1HG       GLU  62   6.337   0.770   3.313
  464    H    ASP  63           H        ASP  63   5.787   3.831   6.562
  465    HA   ASP  63           HA       ASP  63   4.714   6.378   6.482
  466   1HB   ASP  63          1HB       ASP  63   5.778   5.164   8.471
  467   2HB   ASP  63          2HB       ASP  63   7.318   5.814   7.907
  468    HA   PRO  64           HA       PRO  64   7.563   8.098   3.424
  469   1HB   PRO  64          1HB       PRO  64   5.862  10.134   2.698
  470   2HB   PRO  64          2HB       PRO  64   5.761   8.493   2.036
  471   1HG   PRO  64          2HG       PRO  64   3.999   9.819   4.046
  472   2HG   PRO  64          1HG       PRO  64   3.621   8.512   2.911
  473   1HD   PRO  64          1HD       PRO  64   4.151   8.201   5.671
  474   2HD   PRO  64          2HD       PRO  64   4.115   6.899   4.463
  475    H    ALA  65           H        ALA  65   5.541  10.232   5.484
  476    HA   ALA  65           HA       ALA  65   7.643  11.299   7.032
  477   1HB   ALA  65          1HB       ALA  65   7.074  13.514   5.213
  478   2HB   ALA  65          3HB       ALA  65   7.879  12.173   4.397
  479   3HB   ALA  65          2HB       ALA  65   8.627  12.925   5.807
  480    H    VAL  66           H        VAL  66   4.818  10.609   7.173
  481    HA   VAL  66           HA       VAL  66   3.569  13.253   7.760
  482    HB   VAL  66           HB       VAL  66   1.457  11.864   7.960
  483   1HG1  VAL  66          1HG1      VAL  66   3.063  12.394   5.548
  484   2HG1  VAL  66          2HG1      VAL  66   1.815  11.170   5.323
  485   3HG1  VAL  66          3HG1      VAL  66   1.376  12.783   5.883
  486   1HG2  VAL  66          1HG2      VAL  66   2.784   9.730   8.399
  487   2HG2  VAL  66          2HG2      VAL  66   1.484   9.582   7.216
  488   3HG2  VAL  66          3HG2      VAL  66   3.158   9.712   6.675
  489    H    TYR  67           H        TYR  67   4.571  10.215   9.225
  490    HA   TYR  67           HA       TYR  67   3.444  11.027  11.838
  491   1HB   TYR  67          1HB       TYR  67   3.363   8.634  10.977
  492   2HB   TYR  67          2HB       TYR  67   5.109   8.576  11.218
  493    HD1  TYR  67           HD1      TYR  67   1.894   9.288  12.986
  494    HD2  TYR  67           HD2      TYR  67   6.019   8.147  13.350
  495    HE1  TYR  67           HE1      TYR  67   1.551   8.817  15.398
  496    HE2  TYR  67           HE2      TYR  67   5.677   7.675  15.760
  497    HH   TYR  67           HH       TYR  67   2.626   8.438  17.367
  498    H    LYS  68           H        LYS  68   4.861  11.103  13.742
  499    HA   LYS  68           HA       LYS  68   7.741  11.557  13.177
  500   1HB   LYS  68          2HB       LYS  68   6.183  13.542  14.833
  501   2HB   LYS  68          1HB       LYS  68   7.788  13.724  14.123
  502   1HG   LYS  68          1HG       LYS  68   6.443  13.326  11.859
  503   2HG   LYS  68          2HG       LYS  68   5.105  13.949  12.825
  504   1HD   LYS  68          1HD       LYS  68   7.783  15.336  12.514
  505   2HD   LYS  68          2HD       LYS  68   6.331  15.752  11.604
  506   1HE   LYS  68          1HE       LYS  68   6.290  17.264  13.413
  507   2HE   LYS  68          2HE       LYS  68   5.196  15.981  13.927
  508   1HZ   LYS  68          1HZ       LYS  68   8.005  15.620  14.585
  509   2HZ   LYS  68          2HZ       LYS  68   7.203  16.861  15.417
  510   3HZ   LYS  68          3HZ       LYS  68   6.618  15.268  15.501
  511    HA   PRO  69           HA       PRO  69   7.200   9.153  16.989
  512   1HB   PRO  69          1HB       PRO  69   9.480   7.666  16.595
  513   2HB   PRO  69          2HB       PRO  69   7.904   7.255  15.896
  514   1HG   PRO  69          2HG       PRO  69  10.302   8.424  14.562
  515   2HG   PRO  69          1HG       PRO  69   9.000   7.441  13.871
  516   1HD   PRO  69          1HD       PRO  69   9.254  10.249  13.636
  517   2HD   PRO  69          2HD       PRO  69   7.803   9.296  13.254
  518    H    LEU  70           H        LEU  70  10.531   9.997  15.916
  519    HA   LEU  70           HA       LEU  70  10.899  11.310  18.578
  520   1HB   LEU  70          1HB       LEU  70  12.864   9.600  17.029
  521   2HB   LEU  70          2HB       LEU  70  13.284  10.544  18.461
  522    HG   LEU  70           HG       LEU  70  10.893   8.873  18.817
  523   1HD1  LEU  70          1HD1      LEU  70  12.775   7.628  17.314
  524   2HD1  LEU  70          2HD1      LEU  70  13.400   7.292  18.929
  525   3HD1  LEU  70          3HD1      LEU  70  11.768   6.786  18.493
  526   1HD2  LEU  70          1HD2      LEU  70  12.701  10.176  20.411
  527   2HD2  LEU  70          2HD2      LEU  70  11.634   8.889  20.971
  528   3HD2  LEU  70          3HD2      LEU  70  13.293   8.518  20.502
  529    H    SER  71           H        SER  71  13.137  12.642  18.374
  530    HA   SER  71           HA       SER  71  12.589  14.683  16.372
  531   1HB   SER  71          1HB       SER  71  14.547  14.327  18.607
  532   2HB   SER  71          2HB       SER  71  14.906  15.521  17.362
  533    HG   SER  71           HG       SER  71  12.989  15.520  19.335
  534    H    GLN  72           H        GLN  72  14.962  15.544  15.420
  535    HA   GLN  72           HA       GLN  72  15.597  13.554  13.396
  536   1HB   GLN  72          1HB       GLN  72  15.621  15.863  12.724
  537   2HB   GLN  72          2HB       GLN  72  16.728  16.291  14.028
  538   1HG   GLN  72          1HG       GLN  72  17.948  14.191  12.542
  539   2HG   GLN  72          2HG       GLN  72  17.364  15.385  11.383
  540   2HE2  GLN  72          2HE2      GLN  72  19.756  15.863  11.048
  541   1HE2  GLN  72          1HE2      GLN  72  20.530  16.910  12.136
  542    H    GLU  73           H        GLU  73  17.047  11.938  13.689
  543    HA   GLU  73           HA       GLU  73  18.751  11.783  16.003
  544   1HB   GLU  73          1HB       GLU  73  19.830   9.881  14.619
  545   2HB   GLU  73          2HB       GLU  73  18.131   9.704  15.056
  546   1HG   GLU  73          1HG       GLU  73  17.509   9.685  12.892
  547   2HG   GLU  73          2HG       GLU  73  18.386  11.184  12.580
  548    H    GLU  74           H        GLU  74  20.794  12.568  16.285
  549    HA   GLU  74           HA       GLU  74  22.880  12.770  14.484
  550   1HB   GLU  74          1HB       GLU  74  20.810  14.789  13.960
  551   2HB   GLU  74          2HB       GLU  74  22.422  15.474  14.171
  552   1HG   GLU  74          1HG       GLU  74  22.810  13.190  12.587
  553   2HG   GLU  74          2HG       GLU  74  21.362  13.957  11.935
  554    H    LEU  75           H        LEU  75  22.692  12.418  17.206
  555    HA   LEU  75           HA       LEU  75  24.554  14.414  18.181
  556   1HB   LEU  75          1HB       LEU  75  23.073  15.135  20.108
  557   2HB   LEU  75          2HB       LEU  75  22.596  15.769  18.533
  558    HG   LEU  75           HG       LEU  75  21.309  13.267  18.786
  559   1HD1  LEU  75          1HD1      LEU  75  21.130  14.966  21.291
  560   2HD1  LEU  75          2HD1      LEU  75  19.981  13.692  20.883
  561   3HD1  LEU  75          3HD1      LEU  75  21.672  13.291  21.182
  562   1HD2  LEU  75          1HD2      LEU  75  20.723  15.991  18.209
  563   2HD2  LEU  75          2HD2      LEU  75  19.708  14.582  17.899
  564   3HD2  LEU  75          3HD2      LEU  75  19.559  15.460  19.422
  565    H    GLN  76           H        GLN  76  25.877  13.305  19.541
  566    HA   GLN  76           HA       GLN  76  24.876  11.520  21.585
  567   1HB   GLN  76          1HB       GLN  76  25.077  10.350  19.072
  568   2HB   GLN  76          2HB       GLN  76  26.594   9.901  19.853
  569   1HG   GLN  76          1HG       GLN  76  25.428   8.932  21.728
  570   2HG   GLN  76          2HG       GLN  76  23.882   9.566  21.160
  571   2HE2  GLN  76          2HE2      GLN  76  22.809   7.572  20.727
  572   1HE2  GLN  76          1HE2      GLN  76  23.361   6.450  19.581
  573    H    ARG  77           H        ARG  77  26.283  13.026  22.743
  574    HA   ARG  77           HA       ARG  77  29.191  12.752  22.199
  575   1HB   ARG  77          1HB       ARG  77  27.462  14.740  23.546
  576   2HB   ARG  77          2HB       ARG  77  29.014  14.448  24.329
  577   1HG   ARG  77          1HG       ARG  77  28.674  15.094  21.386
  578   2HG   ARG  77          2HG       ARG  77  29.124  16.268  22.622
  579   1HD   ARG  77          2HD       ARG  77  31.272  15.648  22.398
  580   2HD   ARG  77          1HD       ARG  77  30.840  14.029  22.950
  581    HE   ARG  77           HE       ARG  77  30.329  14.564  20.100
  582   1HH1  ARG  77          1HH1      ARG  77  30.765  11.835  21.304
  583   2HH1  ARG  77          2HH1      ARG  77  32.378  11.473  20.786
  584   1HH2  ARG  77          1HH2      ARG  77  33.132  14.754  19.957
  585   2HH2  ARG  77          2HH2      ARG  77  33.717  13.125  20.022
  586    H    ILE  78           H        ILE  78  26.772  11.423  24.183
  587    HA   ILE  78           HA       ILE  78  28.839  10.506  26.145
  588    HB   ILE  78           HB       ILE  78  26.992  10.184  27.737
  589   1HG1  ILE  78          1HG1      ILE  78  25.241  11.384  25.567
  590   2HG1  ILE  78          2HG1      ILE  78  25.264   9.673  25.995
  591   1HG2  ILE  78          1HG2      ILE  78  27.962  12.655  26.758
  592   2HG2  ILE  78          2HG2      ILE  78  26.233  12.876  27.025
  593   3HG2  ILE  78          3HG2      ILE  78  27.267  12.334  28.347
  594   1HD1  ILE  78          1HD1      ILE  78  24.891  10.678  28.448
  595   2HD1  ILE  78          2HD1      ILE  78  24.172  11.994  27.519
  596   3HD1  ILE  78          3HD1      ILE  78  23.539  10.355  27.362

  No H/Q in entry =         596
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1 -23.528  -5.636  12.116
    2    H2   MET   1           H2       MET   1 -22.506  -6.843  12.736
    3    H3   MET   1           H3       MET   1 -23.733  -7.254  11.641
    4    HA   MET   1           HA       MET   1 -25.295  -7.361  13.208
    5   1HB   MET   1          1HB       MET   1 -22.668  -7.484  14.626
    6   2HB   MET   1          2HB       MET   1 -24.128  -7.406  15.613
    7   1HG   MET   1          1HG       MET   1 -24.866  -9.475  14.934
    8   2HG   MET   1          2HG       MET   1 -24.147  -9.321  13.331
    9   1HE   MET   1          1HE       MET   1 -22.903 -10.708  12.638
   10   2HE   MET   1          2HE       MET   1 -21.387 -11.376  13.261
   11   3HE   MET   1          3HE       MET   1 -22.923 -12.130  13.677
   12    H    SER   2           H        SER   2 -22.953  -4.831  14.153
   13    HA   SER   2           HA       SER   2 -24.989  -2.811  14.322
   14   1HB   SER   2          1HB       SER   2 -25.590  -4.118  16.356
   15   2HB   SER   2          2HB       SER   2 -23.963  -3.860  16.978
   16    HG   SER   2           HG       SER   2 -25.907  -2.324  17.443
   17    H    ARG   3           H        ARG   3 -21.987  -3.660  16.105
   18    HA   ARG   3           HA       ARG   3 -20.870  -1.121  16.307
   19   1HB   ARG   3          2HB       ARG   3 -19.386  -3.679  15.623
   20   2HB   ARG   3          1HB       ARG   3 -18.662  -2.219  16.299
   21   1HG   ARG   3          1HG       ARG   3 -20.101  -2.425  18.294
   22   2HG   ARG   3          2HG       ARG   3 -20.820  -3.890  17.622
   23   1HD   ARG   3          1HD       ARG   3 -17.848  -3.807  17.792
   24   2HD   ARG   3          2HD       ARG   3 -18.731  -3.967  19.310
   25    HE   ARG   3           HE       ARG   3 -19.843  -5.837  17.503
   26   1HH1  ARG   3          1HH1      ARG   3 -16.612  -5.140  18.331
   27   2HH1  ARG   3          2HH1      ARG   3 -16.200  -6.775  18.724
   28   1HH2  ARG   3          1HH2      ARG   3 -19.437  -7.962  18.345
   29   2HH2  ARG   3          2HH2      ARG   3 -17.800  -8.374  18.734
   30    H    SER   4           H        SER   4 -20.278  -3.387  13.588
   31    HA   SER   4           HA       SER   4 -19.784  -0.973  11.890
   32   1HB   SER   4          1HB       SER   4 -18.522  -3.420  10.920
   33   2HB   SER   4          2HB       SER   4 -17.820  -1.826  11.176
   34    HG   SER   4           HG       SER   4 -17.110  -3.707  12.548
   35    HA   PRO   5           HA       PRO   5 -22.681  -2.598   9.025
   36   1HB   PRO   5          1HB       PRO   5 -21.505  -1.956   6.625
   37   2HB   PRO   5          2HB       PRO   5 -22.253  -0.761   7.699
   38   1HG   PRO   5          2HG       PRO   5 -19.361  -1.284   7.199
   39   2HG   PRO   5          1HG       PRO   5 -20.155   0.207   7.731
   40   1HD   PRO   5          1HD       PRO   5 -18.739  -1.608   9.384
   41   2HD   PRO   5          2HD       PRO   5 -19.792  -0.289   9.938
   42    H    ASP   6           H        ASP   6 -22.613  -3.878   6.699
   43    HA   ASP   6           HA       ASP   6 -20.602  -6.074   6.916
   44   1HB   ASP   6          1HB       ASP   6 -23.582  -6.243   6.988
   45   2HB   ASP   6          2HB       ASP   6 -22.720  -7.488   6.084
   46    H    ALA   7           H        ALA   7 -23.107  -4.527   4.906
   47    HA   ALA   7           HA       ALA   7 -21.491  -5.297   2.504
   48   1HB   ALA   7          1HB       ALA   7 -24.234  -5.766   3.073
   49   2HB   ALA   7          3HB       ALA   7 -23.381  -6.077   1.560
   50   3HB   ALA   7          2HB       ALA   7 -24.178  -4.525   1.821
   51    H    LYS   8           H        LYS   8 -20.673  -3.589   1.366
   52    HA   LYS   8           HA       LYS   8 -22.084  -1.058   1.152
   53   1HB   LYS   8          1HB       LYS   8 -19.984  -1.426   3.207
   54   2HB   LYS   8          2HB       LYS   8 -19.805   0.010   2.199
   55   1HG   LYS   8          1HG       LYS   8 -22.542  -0.108   2.826
   56   2HG   LYS   8          2HG       LYS   8 -21.704  -0.494   4.329
   57   1HD   LYS   8          1HD       LYS   8 -20.678   1.787   2.688
   58   2HD   LYS   8          2HD       LYS   8 -22.149   2.031   3.630
   59   1HE   LYS   8          1HE       LYS   8 -20.843   1.029   5.610
   60   2HE   LYS   8          2HE       LYS   8 -19.400   1.274   4.625
   61   1HZ   LYS   8          1HZ       LYS   8 -20.418   3.645   4.356
   62   2HZ   LYS   8          2HZ       LYS   8 -21.207   3.259   5.807
   63   3HZ   LYS   8          3HZ       LYS   8 -19.508   3.249   5.735
   64    H    GLU   9           H        GLU   9 -21.722  -0.977  -1.046
   65    HA   GLU   9           HA       GLU   9 -18.977  -1.479  -2.055
   66   1HB   GLU   9          1HB       GLU   9 -20.905  -2.536  -3.225
   67   2HB   GLU   9          2HB       GLU   9 -21.541  -0.930  -3.582
   68   1HG   GLU   9          1HG       GLU   9 -18.803  -0.964  -4.376
   69   2HG   GLU   9          2HG       GLU   9 -19.568  -2.412  -5.033
   70    H    ASP  10           H        ASP  10 -20.003   0.970  -0.532
   71    HA   ASP  10           HA       ASP  10 -19.847   3.142  -2.475
   72   1HB   ASP  10          1HB       ASP  10 -20.749   2.897   0.159
   73   2HB   ASP  10          2HB       ASP  10 -19.318   3.920   0.281
   74    HA   PRO  11           HA       PRO  11 -15.502   3.653  -0.575
   75   1HB   PRO  11          1HB       PRO  11 -14.663   1.750   1.224
   76   2HB   PRO  11          2HB       PRO  11 -15.527   3.225   1.694
   77   1HG   PRO  11          2HG       PRO  11 -16.529   0.422   1.579
   78   2HG   PRO  11          1HG       PRO  11 -17.102   1.780   2.563
   79   1HD   PRO  11          1HD       PRO  11 -18.312   0.800   0.191
   80   2HD   PRO  11          2HD       PRO  11 -18.708   2.318   1.024
   81    H    VAL  12           H        VAL  12 -13.314   2.140  -0.545
   82    HA   VAL  12           HA       VAL  12 -13.493   0.582  -3.020
   83    HB   VAL  12           HB       VAL  12 -11.088   0.905  -1.207
   84   1HG1  VAL  12          1HG1      VAL  12 -11.623  -0.218  -3.879
   85   2HG1  VAL  12          2HG1      VAL  12 -10.256   0.895  -3.828
   86   3HG1  VAL  12          3HG1      VAL  12 -10.278  -0.522  -2.779
   87   1HG2  VAL  12          1HG2      VAL  12 -12.401   2.789  -3.130
   88   2HG2  VAL  12          2HG2      VAL  12 -11.555   3.138  -1.622
   89   3HG2  VAL  12          3HG2      VAL  12 -10.638   2.748  -3.076
   90    H    GLU  13           H        GLU  13 -12.516  -1.657  -3.099
   91    HA   GLU  13           HA       GLU  13 -12.929  -3.136  -0.538
   92   1HB   GLU  13          2HB       GLU  13 -13.807  -4.219  -3.220
   93   2HB   GLU  13          1HB       GLU  13 -14.229  -4.812  -1.614
   94   1HG   GLU  13          1HG       GLU  13 -15.173  -2.325  -1.355
   95   2HG   GLU  13          2HG       GLU  13 -15.301  -2.459  -3.109
   96    H    CYS  14           H        CYS  14 -11.095  -4.209  -0.054
   97    HA   CYS  14           HA       CYS  14  -8.745  -4.379  -1.443
   98   1HB   CYS  14          1HB       CYS  14  -9.418  -5.351   0.895
   99   2HB   CYS  14          2HB       CYS  14  -9.678  -6.846  -0.005
  100    HA   PRO  15           HA       PRO  15 -10.136  -6.857  -4.945
  101   1HB   PRO  15          1HB       PRO  15  -8.045  -6.108  -6.564
  102   2HB   PRO  15          2HB       PRO  15  -9.506  -5.131  -6.339
  103   1HG   PRO  15          2HG       PRO  15  -6.770  -4.695  -5.240
  104   2HG   PRO  15          1HG       PRO  15  -8.049  -3.514  -5.569
  105   1HD   PRO  15          1HD       PRO  15  -7.363  -4.561  -3.025
  106   2HD   PRO  15          2HD       PRO  15  -8.821  -3.624  -3.415
  107    H    LEU  16           H        LEU  16  -7.548  -7.179  -2.841
  108    HA   LEU  16           HA       LEU  16  -6.275  -9.392  -4.365
  109   1HB   LEU  16          1HB       LEU  16  -5.439  -8.330  -1.662
  110   2HB   LEU  16          2HB       LEU  16  -4.470  -9.249  -2.813
  111    HG   LEU  16           HG       LEU  16  -5.508  -6.894  -4.104
  112   1HD1  LEU  16          1HD1      LEU  16  -5.147  -6.431  -1.396
  113   2HD1  LEU  16          2HD1      LEU  16  -3.604  -5.936  -2.094
  114   3HD1  LEU  16          3HD1      LEU  16  -5.106  -5.201  -2.660
  115   1HD2  LEU  16          1HD2      LEU  16  -2.934  -8.267  -3.580
  116   2HD2  LEU  16          2HD2      LEU  16  -3.576  -7.619  -5.088
  117   3HD2  LEU  16          3HD2      LEU  16  -2.816  -6.540  -3.917
  118    H    CYS  17           H        CYS  17  -8.386  -8.802  -1.647
  119    HA   CYS  17           HA       CYS  17  -8.581 -11.751  -1.278
  120   1HB   CYS  17          1HB       CYS  17  -8.401 -11.636   1.084
  121   2HB   CYS  17          2HB       CYS  17  -7.090 -10.617   0.498
  122    H    MET  18           H        MET  18 -10.147  -9.109  -2.192
  123    HA   MET  18           HA       MET  18 -12.393  -8.455  -2.234
  124   1HB   MET  18          1HB       MET  18 -12.348 -11.106  -2.720
  125   2HB   MET  18          2HB       MET  18 -13.286 -11.111  -1.226
  126   1HG   MET  18          1HG       MET  18 -15.103 -10.276  -2.266
  127   2HG   MET  18          2HG       MET  18 -14.157  -8.996  -3.027
  128   1HE   MET  18          1HE       MET  18 -12.202  -9.782  -4.360
  129   2HE   MET  18          2HE       MET  18 -12.010 -11.453  -4.908
  130   3HE   MET  18          3HE       MET  18 -12.644 -10.229  -6.006
  131    H    GLU  19           H        GLU  19 -12.120  -7.040  -0.371
  132    HA   GLU  19           HA       GLU  19 -13.777  -7.888   1.913
  133   1HB   GLU  19          1HB       GLU  19 -10.823  -7.500   2.062
  134   2HB   GLU  19          2HB       GLU  19 -11.788  -6.839   3.382
  135   1HG   GLU  19          1HG       GLU  19 -12.948  -9.169   3.400
  136   2HG   GLU  19          2HG       GLU  19 -11.536  -9.704   2.487
  137    HA   PRO  20           HA       PRO  20 -14.787  -3.611   1.756
  138   1HB   PRO  20          1HB       PRO  20 -15.862  -3.339   4.270
  139   2HB   PRO  20          2HB       PRO  20 -16.691  -4.160   2.937
  140   1HG   PRO  20          2HG       PRO  20 -15.362  -5.342   5.329
  141   2HG   PRO  20          1HG       PRO  20 -16.675  -5.997   4.337
  142   1HD   PRO  20          1HD       PRO  20 -13.946  -6.762   4.208
  143   2HD   PRO  20          2HD       PRO  20 -15.209  -7.181   3.030
  144    H    LEU  21           H        LEU  21 -13.136  -2.108   1.834
  145    HA   LEU  21           HA       LEU  21 -11.127  -2.088   3.915
  146   1HB   LEU  21          1HB       LEU  21 -11.851  -0.153   1.708
  147   2HB   LEU  21          2HB       LEU  21 -10.555   0.178   2.857
  148    HG   LEU  21           HG       LEU  21 -10.551  -2.503   1.558
  149   1HD1  LEU  21          1HD1      LEU  21  -9.794   0.067   0.135
  150   2HD1  LEU  21          2HD1      LEU  21  -9.360  -1.549  -0.421
  151   3HD1  LEU  21          3HD1      LEU  21 -11.054  -1.067  -0.349
  152   1HD2  LEU  21          1HD2      LEU  21  -8.505  -0.434   2.400
  153   2HD2  LEU  21          2HD2      LEU  21  -8.798  -2.017   3.120
  154   3HD2  LEU  21          3HD2      LEU  21  -8.069  -1.899   1.519
  155    H    GLU  22           H        GLU  22 -11.223  -1.086   5.872
  156    HA   GLU  22           HA       GLU  22 -13.659   0.218   6.728
  157   1HB   GLU  22          1HB       GLU  22 -11.389  -0.907   7.970
  158   2HB   GLU  22          2HB       GLU  22 -11.407   0.789   8.452
  159   1HG   GLU  22          1HG       GLU  22 -12.736  -0.697   9.979
  160   2HG   GLU  22          2HG       GLU  22 -13.690   0.597   9.251
  161    H    ILE  23           H        ILE  23 -13.314   2.446   7.975
  162    HA   ILE  23           HA       ILE  23 -12.816   4.441   5.989
  163    HB   ILE  23           HB       ILE  23 -13.153   4.528   8.988
  164   1HG1  ILE  23          1HG1      ILE  23 -15.090   4.093   7.411
  165   2HG1  ILE  23          2HG1      ILE  23 -15.283   5.513   8.440
  166   1HG2  ILE  23          1HG2      ILE  23 -12.517   6.793   7.087
  167   2HG2  ILE  23          2HG2      ILE  23 -13.327   7.057   8.631
  168   3HG2  ILE  23          3HG2      ILE  23 -11.700   6.380   8.595
  169   1HD1  ILE  23          1HD1      ILE  23 -13.888   6.288   6.054
  170   2HD1  ILE  23          2HD1      ILE  23 -15.345   5.404   5.599
  171   3HD1  ILE  23          3HD1      ILE  23 -15.465   6.831   6.628
  172    H    ASP  24           H        ASP  24 -10.859   3.337   8.762
  173    HA   ASP  24           HA       ASP  24  -8.639   5.099   8.010
  174   1HB   ASP  24          1HB       ASP  24  -9.101   3.045  10.161
  175   2HB   ASP  24          2HB       ASP  24  -7.471   3.636   9.838
  176    H    ASP  25           H        ASP  25  -9.768   2.534   6.461
  177    HA   ASP  25           HA       ASP  25  -7.091   1.286   6.015
  178   1HB   ASP  25          1HB       ASP  25  -9.901   0.276   5.502
  179   2HB   ASP  25          2HB       ASP  25  -8.458  -0.548   4.912
  180    H    ILE  26           H        ILE  26  -9.722   3.027   4.496
  181    HA   ILE  26           HA       ILE  26  -9.065   2.531   1.766
  182    HB   ILE  26           HB       ILE  26 -10.425   4.814   3.196
  183   1HG1  ILE  26          1HG1      ILE  26 -11.819   3.413   1.047
  184   2HG1  ILE  26          2HG1      ILE  26 -11.239   2.303   2.291
  185   1HG2  ILE  26          1HG2      ILE  26  -9.372   4.733   0.424
  186   2HG2  ILE  26          2HG2      ILE  26 -11.046   5.262   0.589
  187   3HG2  ILE  26          3HG2      ILE  26  -9.761   6.120   1.441
  188   1HD1  ILE  26          1HD1      ILE  26 -12.220   4.148   3.925
  189   2HD1  ILE  26          2HD1      ILE  26 -13.214   4.542   2.522
  190   3HD1  ILE  26          3HD1      ILE  26 -13.272   2.922   3.217
  191    H    ASN  27           H        ASN  27  -7.751   4.804   4.130
  192    HA   ASN  27           HA       ASN  27  -5.934   5.919   2.060
  193   1HB   ASN  27          2HB       ASN  27  -6.013   6.730   4.968
  194   2HB   ASN  27          1HB       ASN  27  -5.481   7.678   3.578
  195   2HD2  ASN  27          2HD2      ASN  27  -8.400   6.307   5.133
  196   1HD2  ASN  27          1HD2      ASN  27  -9.490   7.379   4.396
  197    H    PHE  28           H        PHE  28  -5.720   3.144   3.120
  198    HA   PHE  28           HA       PHE  28  -2.990   3.361   4.328
  199   1HB   PHE  28          1HB       PHE  28  -4.362   2.335   5.978
  200   2HB   PHE  28          2HB       PHE  28  -5.213   1.362   4.779
  201    HD1  PHE  28           HD1      PHE  28  -1.646   1.984   5.803
  202    HD2  PHE  28           HD2      PHE  28  -4.659  -0.889   4.745
  203    HE1  PHE  28           HE1      PHE  28  -0.010   0.149   6.124
  204    HE2  PHE  28           HE2      PHE  28  -3.022  -2.725   5.066
  205    HZ   PHE  28           HZ       PHE  28  -0.698  -2.206   5.754
  206    H    PHE  29           H        PHE  29  -2.013   3.361   2.200
  207    HA   PHE  29           HA       PHE  29  -2.337   0.767   0.754
  208   1HB   PHE  29          1HB       PHE  29  -1.244   2.216  -1.164
  209   2HB   PHE  29          2HB       PHE  29  -2.973   2.335  -0.842
  210    HD1  PHE  29           HD1      PHE  29   0.327   3.916  -0.129
  211    HD2  PHE  29           HD2      PHE  29  -3.949   4.356  -0.071
  212    HE1  PHE  29           HE1      PHE  29   0.578   6.331   0.382
  213    HE2  PHE  29           HE2      PHE  29  -3.696   6.768   0.438
  214    HZ   PHE  29           HZ       PHE  29  -1.432   7.757   0.665
  215    HA   PRO  30           HA       PRO  30   1.928   0.127   1.732
  216   1HB   PRO  30          1HB       PRO  30   2.267  -2.098   0.154
  217   2HB   PRO  30          2HB       PRO  30   1.430  -2.132   1.716
  218   1HG   PRO  30          2HG       PRO  30   0.281  -2.276  -1.030
  219   2HG   PRO  30          1HG       PRO  30  -0.375  -2.893   0.495
  220   1HD   PRO  30          1HD       PRO  30  -1.180  -0.515  -0.828
  221   2HD   PRO  30          2HD       PRO  30  -1.609  -0.992   0.828
  222    H    CYS  31           H        CYS  31   0.649   1.072  -1.253
  223    HA   CYS  31           HA       CYS  31   3.383   1.645  -2.293
  224   1HB   CYS  31          1HB       CYS  31   2.354  -0.373  -3.433
  225   2HB   CYS  31          2HB       CYS  31   1.092   0.702  -4.034
  226    H    THR  32           H        THR  32   3.318   3.420  -3.957
  227    HA   THR  32           HA       THR  32   1.354   5.459  -3.117
  228    HB   THR  32           HB       THR  32   3.115   6.436  -5.143
  229    HG1  THR  32           HG1      THR  32   4.470   4.724  -4.706
  230   1HG2  THR  32          1HG2      THR  32   2.068   7.580  -3.117
  231   2HG2  THR  32          2HG2      THR  32   3.331   6.814  -2.153
  232   3HG2  THR  32          3HG2      THR  32   3.764   7.959  -3.422
  233    H    CYS  33           H        CYS  33   1.607   3.163  -5.604
  234    HA   CYS  33           HA       CYS  33   0.526   4.717  -7.781
  235   1HB   CYS  33          1HB       CYS  33   0.078   2.585  -8.859
  236   2HB   CYS  33          2HB       CYS  33   1.653   2.501  -8.073
  237    H    GLY  34           H        GLY  34  -0.894   3.220  -4.970
  238   1HA   GLY  34          2HA       GLY  34  -3.565   4.133  -5.954
  239   2HA   GLY  34          1HA       GLY  34  -3.096   4.080  -4.255
  240    H    TYR  35           H        TYR  35  -1.767   1.356  -4.953
  241    HA   TYR  35           HA       TYR  35  -4.159  -0.316  -5.410
  242   1HB   TYR  35          1HB       TYR  35  -1.671  -0.717  -6.240
  243   2HB   TYR  35          2HB       TYR  35  -1.493  -1.459  -4.651
  244    HD1  TYR  35           HD1      TYR  35  -4.307  -1.357  -7.136
  245    HD2  TYR  35           HD2      TYR  35  -1.618  -3.782  -4.824
  246    HE1  TYR  35           HE1      TYR  35  -5.441  -3.402  -7.962
  247    HE2  TYR  35           HE2      TYR  35  -2.750  -5.826  -5.651
  248    HH   TYR  35           HH       TYR  35  -5.744  -5.766  -7.209
  249    H    GLN  36           H        GLN  36  -4.269   1.260  -3.065
  250    HA   GLN  36           HA       GLN  36  -3.383   0.219  -0.661
  251   1HB   GLN  36          1HB       GLN  36  -5.887   0.824   0.100
  252   2HB   GLN  36          2HB       GLN  36  -4.697   2.069  -0.271
  253   1HG   GLN  36          1HG       GLN  36  -5.761   2.694  -2.186
  254   2HG   GLN  36          2HG       GLN  36  -6.182   1.033  -2.608
  255   2HE2  GLN  36          2HE2      GLN  36  -7.423   3.963  -1.300
  256   1HE2  GLN  36          1HE2      GLN  36  -8.915   3.356  -0.766
  257    H    ILE  37           H        ILE  37  -4.144  -1.372   0.811
  258    HA   ILE  37           HA       ILE  37  -6.162  -3.287  -0.227
  259    HB   ILE  37           HB       ILE  37  -4.788  -5.170  -0.063
  260   1HG1  ILE  37          1HG1      ILE  37  -3.964  -4.638   2.243
  261   2HG1  ILE  37          2HG1      ILE  37  -2.693  -5.264   1.193
  262   1HG2  ILE  37          1HG2      ILE  37  -3.023  -2.858  -0.908
  263   2HG2  ILE  37          2HG2      ILE  37  -2.603  -4.552  -1.161
  264   3HG2  ILE  37          3HG2      ILE  37  -4.027  -3.868  -1.947
  265   1HD1  ILE  37          1HD1      ILE  37  -2.530  -2.582   0.693
  266   2HD1  ILE  37          2HD1      ILE  37  -2.989  -2.589   2.394
  267   3HD1  ILE  37          3HD1      ILE  37  -1.534  -3.434   1.870
  268    H    CYS  38           H        CYS  38  -6.100  -5.134   1.809
  269    HA   CYS  38           HA       CYS  38  -7.032  -3.487   4.073
  270   1HB   CYS  38          2HB       CYS  38  -8.156  -5.451   4.843
  271   2HB   CYS  38          1HB       CYS  38  -8.378  -5.418   3.094
  272    H    ARG  39           H        ARG  39  -6.383  -4.151   6.306
  273    HA   ARG  39           HA       ARG  39  -3.529  -4.258   6.563
  274   1HB   ARG  39          1HB       ARG  39  -5.864  -4.300   8.401
  275   2HB   ARG  39          2HB       ARG  39  -4.360  -4.972   9.035
  276   1HG   ARG  39          1HG       ARG  39  -4.455  -2.289   7.647
  277   2HG   ARG  39          2HG       ARG  39  -4.721  -2.454   9.383
  278   1HD   ARG  39          1HD       ARG  39  -2.451  -3.969   8.995
  279   2HD   ARG  39          2HD       ARG  39  -2.222  -2.650   7.848
  280    HE   ARG  39           HE       ARG  39  -2.700  -1.127   9.883
  281   1HH1  ARG  39          1HH1      ARG  39  -2.908  -2.081  12.278
  282   2HH1  ARG  39          2HH1      ARG  39  -1.405  -2.769  12.797
  283   1HH2  ARG  39          1HH2      ARG  39  -0.092  -2.982   9.595
  284   2HH2  ARG  39          2HH2      ARG  39   0.189  -3.278  11.278
  285    H    PHE  40           H        PHE  40  -5.839  -6.727   6.046
  286    HA   PHE  40           HA       PHE  40  -4.233  -8.838   7.330
  287   1HB   PHE  40          1HB       PHE  40  -6.865  -8.680   5.929
  288   2HB   PHE  40          2HB       PHE  40  -6.031 -10.233   5.921
  289    HD1  PHE  40           HD1      PHE  40  -4.792 -10.610   8.398
  290    HD2  PHE  40           HD2      PHE  40  -8.459  -8.517   7.613
  291    HE1  PHE  40           HE1      PHE  40  -5.527 -11.023  10.730
  292    HE2  PHE  40           HE2      PHE  40  -9.195  -8.930   9.945
  293    HZ   PHE  40           HZ       PHE  40  -7.729 -10.183  11.504
  294    H    CYS  41           H        CYS  41  -4.447  -7.281   4.270
  295    HA   CYS  41           HA       CYS  41  -3.189  -9.530   2.827
  296   1HB   CYS  41          1HB       CYS  41  -4.410  -6.909   2.081
  297   2HB   CYS  41          2HB       CYS  41  -3.170  -7.561   1.009
  298    H    TRP  42           H        TRP  42  -2.396  -6.294   4.024
  299    HA   TRP  42           HA       TRP  42   0.272  -6.277   2.884
  300   1HB   TRP  42          1HB       TRP  42  -0.899  -4.186   3.464
  301   2HB   TRP  42          2HB       TRP  42  -0.907  -4.656   5.163
  302    HD1  TRP  42           HD1      TRP  42   1.606  -3.907   2.332
  303    HE1  TRP  42           HE1      TRP  42   3.765  -2.980   3.394
  304    HE3  TRP  42           HE3      TRP  42   0.420  -4.370   7.279
  305    HZ2  TRP  42           HZ2      TRP  42   4.847  -2.502   6.001
  306    HZ3  TRP  42           HZ3      TRP  42   2.034  -3.672   9.027
  307    HH2  TRP  42           HH2      TRP  42   4.242  -2.739   8.395
  308    H    HIS  43           H        HIS  43  -1.157  -7.365   5.908
  309    HA   HIS  43           HA       HIS  43   1.278  -7.643   7.398
  310   1HB   HIS  43          1HB       HIS  43  -1.513  -8.595   7.624
  311   2HB   HIS  43          2HB       HIS  43  -0.311  -9.629   8.395
  312    HD1  HIS  43           HD1      HIS  43  -0.297  -9.013  10.813
  313    HD2  HIS  43           HD2      HIS  43  -0.479  -5.639   8.372
  314    HE1  HIS  43           HE1      HIS  43  -0.167  -7.007  12.354
  315    H    ARG  44           H        ARG  44  -0.323  -9.680   5.013
  316    HA   ARG  44           HA       ARG  44   1.617 -11.867   5.494
  317   1HB   ARG  44          1HB       ARG  44  -1.051 -11.686   4.439
  318   2HB   ARG  44          2HB       ARG  44   0.001 -12.408   3.221
  319   1HG   ARG  44          1HG       ARG  44   0.854 -13.682   5.492
  320   2HG   ARG  44          2HG       ARG  44  -0.865 -13.480   5.830
  321   1HD   ARG  44          1HD       ARG  44  -0.718 -14.277   3.133
  322   2HD   ARG  44          2HD       ARG  44   0.421 -15.312   3.995
  323    HE   ARG  44           HE       ARG  44  -2.489 -15.323   4.310
  324   1HH1  ARG  44          1HH1      ARG  44  -1.751 -15.081   7.086
  325   2HH1  ARG  44          2HH1      ARG  44  -1.328 -16.693   7.558
  326   1HH2  ARG  44          1HH2      ARG  44  -0.936 -17.828   4.305
  327   2HH2  ARG  44          2HH2      ARG  44  -0.865 -18.248   5.984
  328    H    ILE  45           H        ILE  45   1.362  -9.073   3.594
  329    HA   ILE  45           HA       ILE  45   2.873 -10.164   1.311
  330    HB   ILE  45           HB       ILE  45   1.819  -7.418   2.016
  331   1HG1  ILE  45          1HG1      ILE  45   1.335  -9.170  -0.407
  332   2HG1  ILE  45          2HG1      ILE  45   0.337  -9.246   1.044
  333   1HG2  ILE  45          1HG2      ILE  45   4.089  -8.078   0.344
  334   2HG2  ILE  45          2HG2      ILE  45   2.788  -7.397  -0.633
  335   3HG2  ILE  45          3HG2      ILE  45   3.428  -6.492   0.739
  336   1HD1  ILE  45          1HD1      ILE  45   0.844  -6.577  -0.226
  337   2HD1  ILE  45          2HD1      ILE  45  -0.347  -7.656  -0.953
  338   3HD1  ILE  45          3HD1      ILE  45  -0.546  -7.119   0.716
  339    H    ARG  46           H        ARG  46   3.443  -8.134   4.159
  340    HA   ARG  46           HA       ARG  46   6.263  -7.726   3.393
  341   1HB   ARG  46          1HB       ARG  46   4.417  -6.662   5.458
  342   2HB   ARG  46          2HB       ARG  46   6.113  -6.782   5.928
  343   1HG   ARG  46          1HG       ARG  46   6.508  -5.687   3.546
  344   2HG   ARG  46          2HG       ARG  46   4.855  -5.118   3.780
  345   1HD   ARG  46          2HD       ARG  46   6.065  -3.393   4.772
  346   2HD   ARG  46          1HD       ARG  46   5.743  -4.428   6.163
  347    HE   ARG  46           HE       ARG  46   8.277  -4.924   4.727
  348   1HH1  ARG  46          1HH1      ARG  46   7.412  -2.331   6.524
  349   2HH1  ARG  46          2HH1      ARG  46   8.434  -2.657   7.885
  350   1HH2  ARG  46          1HH2      ARG  46   9.243  -5.866   6.845
  351   2HH2  ARG  46          2HH2      ARG  46   9.470  -4.658   8.066
  352    H    THR  47           H        THR  47   4.597 -10.263   4.655
  353    HA   THR  47           HA       THR  47   6.845 -11.054   6.462
  354    HB   THR  47           HB       THR  47   4.012 -12.134   6.344
  355    HG1  THR  47           HG1      THR  47   5.312 -10.460   8.228
  356   1HG2  THR  47          1HG2      THR  47   6.028 -13.608   7.123
  357   2HG2  THR  47          2HG2      THR  47   5.994 -12.584   8.558
  358   3HG2  THR  47          3HG2      THR  47   4.577 -13.541   8.124
  359    H    ASP  48           H        ASP  48   4.598 -12.318   3.987
  360    HA   ASP  48           HA       ASP  48   6.446 -14.600   3.540
  361   1HB   ASP  48          1HB       ASP  48   3.775 -14.631   3.673
  362   2HB   ASP  48          2HB       ASP  48   3.937 -14.260   1.956
  363    H    GLU  49           H        GLU  49   5.013 -11.831   1.827
  364    HA   GLU  49           HA       GLU  49   6.437 -12.444  -0.648
  365   1HB   GLU  49          1HB       GLU  49   4.245 -10.900  -0.033
  366   2HB   GLU  49          2HB       GLU  49   5.495  -9.679  -0.267
  367   1HG   GLU  49          1HG       GLU  49   5.902 -11.513  -2.344
  368   2HG   GLU  49          2HG       GLU  49   4.151 -11.327  -2.248
  369    H    ASN  50           H        ASN  50   7.212  -9.622  -1.124
  370    HA   ASN  50           HA       ASN  50   9.650  -9.562   0.616
  371   1HB   ASN  50          1HB       ASN  50   9.863 -10.074  -1.930
  372   2HB   ASN  50          2HB       ASN  50   9.522  -8.356  -2.143
  373   2HD2  ASN  50          2HD2      ASN  50  11.332  -7.018  -2.071
  374   1HD2  ASN  50          1HD2      ASN  50  12.812  -7.418  -1.340
  375    H    GLY  51           H        GLY  51   6.853  -7.885  -0.421
  376   1HA   GLY  51          2HA       GLY  51   7.850  -5.428   0.955
  377   2HA   GLY  51          1HA       GLY  51   6.154  -5.905   0.864
  378    H    LEU  52           H        LEU  52   7.270  -6.633  -2.108
  379    HA   LEU  52           HA       LEU  52   7.365  -3.934  -3.253
  380   1HB   LEU  52          1HB       LEU  52   7.541  -6.735  -4.329
  381   2HB   LEU  52          2HB       LEU  52   7.144  -5.426  -5.439
  382    HG   LEU  52           HG       LEU  52   9.621  -5.679  -3.714
  383   1HD1  LEU  52          1HD1      LEU  52   9.184  -5.490  -6.715
  384   2HD1  LEU  52          2HD1      LEU  52  10.755  -5.584  -5.916
  385   3HD1  LEU  52          3HD1      LEU  52   9.639  -6.945  -5.828
  386   1HD2  LEU  52          1HD2      LEU  52   8.344  -3.326  -5.030
  387   2HD2  LEU  52          2HD2      LEU  52   9.376  -3.391  -3.601
  388   3HD2  LEU  52          3HD2      LEU  52  10.091  -3.486  -5.210
  389    H    CYS  53           H        CYS  53   5.850  -3.494  -5.154
  390    HA   CYS  53           HA       CYS  53   3.075  -3.903  -4.237
  391   1HB   CYS  53          1HB       CYS  53   3.839  -1.643  -4.902
  392   2HB   CYS  53          2HB       CYS  53   4.179  -2.243  -6.523
  393    HA   PRO  54           HA       PRO  54   2.782  -7.180  -7.289
  394   1HB   PRO  54          1HB       PRO  54   0.304  -8.040  -6.468
  395   2HB   PRO  54          2HB       PRO  54   1.814  -8.485  -5.654
  396   1HG   PRO  54          2HG       PRO  54  -0.288  -6.558  -4.786
  397   2HG   PRO  54          1HG       PRO  54   0.863  -7.479  -3.805
  398   1HD   PRO  54          1HD       PRO  54   1.082  -4.738  -4.499
  399   2HD   PRO  54          2HD       PRO  54   2.360  -5.744  -3.785
  400    H    ALA  55           H        ALA  55   1.396  -4.232  -7.303
  401    HA   ALA  55           HA       ALA  55  -0.472  -4.910  -9.536
  402   1HB   ALA  55          1HB       ALA  55  -1.868  -3.912  -7.955
  403   2HB   ALA  55          3HB       ALA  55  -1.379  -2.514  -8.913
  404   3HB   ALA  55          2HB       ALA  55  -0.600  -2.838  -7.363
  405    H    CYS  56           H        CYS  56   2.203  -2.897  -8.462
  406    HA   CYS  56           HA       CYS  56   2.617  -2.109 -11.290
  407   1HB   CYS  56          1HB       CYS  56   2.597   0.183 -10.927
  408   2HB   CYS  56          2HB       CYS  56   1.345  -0.325  -9.800
  409    H    ARG  57           H        ARG  57   3.871  -3.855  -9.119
  410    HA   ARG  57           HA       ARG  57   5.994  -4.264  -8.181
  411   1HB   ARG  57          1HB       ARG  57   7.789  -4.139  -9.976
  412   2HB   ARG  57          2HB       ARG  57   6.370  -5.108 -10.375
  413   1HG   ARG  57          1HG       ARG  57   5.429  -3.262 -11.669
  414   2HG   ARG  57          2HG       ARG  57   6.780  -2.222 -11.208
  415   1HD   ARG  57          1HD       ARG  57   8.353  -3.735 -12.334
  416   2HD   ARG  57          2HD       ARG  57   7.026  -4.811 -12.768
  417    HE   ARG  57           HE       ARG  57   6.149  -2.603 -13.965
  418   1HH1  ARG  57          1HH1      ARG  57   8.741  -1.181 -13.645
  419   2HH1  ARG  57          2HH1      ARG  57   9.577  -1.591 -15.106
  420   1HH2  ARG  57          1HH2      ARG  57   7.497  -4.260 -15.863
  421   2HH2  ARG  57          2HH2      ARG  57   8.873  -3.334 -16.361
  422    H    LYS  58           H        LYS  58   5.999  -2.531  -6.659
  423    HA   LYS  58           HA       LYS  58   8.186  -0.621  -7.115
  424   1HB   LYS  58          1HB       LYS  58   5.427   0.181  -7.293
  425   2HB   LYS  58          2HB       LYS  58   6.143   0.904  -5.854
  426   1HG   LYS  58          1HG       LYS  58   7.984   1.814  -7.186
  427   2HG   LYS  58          2HG       LYS  58   7.350   1.031  -8.634
  428   1HD   LYS  58          2HD       LYS  58   6.391   3.101  -8.924
  429   2HD   LYS  58          1HD       LYS  58   5.145   2.377  -7.907
  430   1HE   LYS  58          1HE       LYS  58   5.746   3.605  -6.054
  431   2HE   LYS  58          2HE       LYS  58   7.445   3.680  -6.525
  432   1HZ   LYS  58          1HZ       LYS  58   5.284   5.128  -7.949
  433   2HZ   LYS  58          2HZ       LYS  58   6.213   5.820  -6.708
  434   3HZ   LYS  58          3HZ       LYS  58   6.960   5.320  -8.146
  435    HA   PRO  59           HA       PRO  59   8.765  -1.763  -2.924
  436   1HB   PRO  59          1HB       PRO  59  10.508   0.242  -2.195
  437   2HB   PRO  59          2HB       PRO  59  10.971  -1.160  -3.175
  438   1HG   PRO  59          2HG       PRO  59  10.500   1.660  -4.037
  439   2HG   PRO  59          1HG       PRO  59  11.554   0.429  -4.753
  440   1HD   PRO  59          1HD       PRO  59   9.025   1.187  -5.740
  441   2HD   PRO  59          2HD       PRO  59   9.907  -0.291  -6.185
  442    H    TYR  60           H        TYR  60   7.167  -1.451  -1.436
  443    HA   TYR  60           HA       TYR  60   5.422   0.651  -1.115
  444   1HB   TYR  60          1HB       TYR  60   6.707  -0.814   1.207
  445   2HB   TYR  60          2HB       TYR  60   5.150   0.006   1.227
  446    HD1  TYR  60           HD1      TYR  60   4.799  -1.058  -1.861
  447    HD2  TYR  60           HD2      TYR  60   5.405  -2.838   2.001
  448    HE1  TYR  60           HE1      TYR  60   3.689  -3.136  -2.641
  449    HE2  TYR  60           HE2      TYR  60   4.297  -4.910   1.224
  450    HH   TYR  60           HH       TYR  60   2.362  -5.134  -1.270
  451    HA   PRO  61           HA       PRO  61   7.976   4.040   0.175
  452   1HB   PRO  61          1HB       PRO  61   5.922   5.779   0.735
  453   2HB   PRO  61          2HB       PRO  61   6.462   5.407  -0.911
  454   1HG   PRO  61          2HG       PRO  61   4.000   4.504   0.502
  455   2HG   PRO  61          1HG       PRO  61   4.296   4.678  -1.234
  456   1HD   PRO  61          1HD       PRO  61   4.310   2.248   0.232
  457   2HD   PRO  61          2HD       PRO  61   4.879   2.472  -1.436
  458    H    GLU  62           H        GLU  62   8.460   2.609   2.184
  459    HA   GLU  62           HA       GLU  62   7.290   3.950   4.576
  460   1HB   GLU  62          1HB       GLU  62   6.262   1.653   4.117
  461   2HB   GLU  62          2HB       GLU  62   7.847   0.979   4.492
  462   1HG   GLU  62          1HG       GLU  62   6.635   2.932   6.410
  463   2HG   GLU  62          2HG       GLU  62   6.030   1.275   6.396
  464    H    ASP  63           H        ASP  63   9.642   1.288   4.156
  465    HA   ASP  63           HA       ASP  63  11.505   2.730   5.928
  466   1HB   ASP  63          1HB       ASP  63  11.042  -0.020   5.159
  467   2HB   ASP  63          2HB       ASP  63  12.740   0.398   4.934
  468    HA   PRO  64           HA       PRO  64  14.295   4.072   2.815
  469   1HB   PRO  64          1HB       PRO  64  16.744   3.388   3.861
  470   2HB   PRO  64          2HB       PRO  64  15.747   4.709   4.494
  471   1HG   PRO  64          2HG       PRO  64  16.240   2.009   5.655
  472   2HG   PRO  64          1HG       PRO  64  15.800   3.517   6.471
  473   1HD   PRO  64          1HD       PRO  64  14.042   1.375   5.865
  474   2HD   PRO  64          2HD       PRO  64  13.570   3.000   6.402
  475    H    ALA  65           H        ALA  65  16.213   1.279   3.876
  476    HA   ALA  65           HA       ALA  65  15.600  -0.678   2.033
  477   1HB   ALA  65          1HB       ALA  65  17.394  -0.111   0.216
  478   2HB   ALA  65          3HB       ALA  65  15.807   0.653   0.115
  479   3HB   ALA  65          2HB       ALA  65  17.178   1.550   0.769
  480    H    VAL  66           H        VAL  66  16.958  -0.285   4.566
  481    HA   VAL  66           HA       VAL  66  18.944  -0.874   5.712
  482    HB   VAL  66           HB       VAL  66  19.701  -3.194   5.013
  483   1HG1  VAL  66          1HG1      VAL  66  17.011  -2.327   5.868
  484   2HG1  VAL  66          2HG1      VAL  66  17.090  -3.980   5.258
  485   3HG1  VAL  66          3HG1      VAL  66  18.109  -3.490   6.612
  486   1HG2  VAL  66          1HG2      VAL  66  19.145  -2.883   2.602
  487   2HG2  VAL  66          2HG2      VAL  66  18.393  -4.321   3.289
  488   3HG2  VAL  66          3HG2      VAL  66  17.435  -2.865   3.027
  489    H    TYR  67           H        TYR  67  20.475   0.682   5.182
  490    HA   TYR  67           HA       TYR  67  21.995   0.477   2.673
  491   1HB   TYR  67          1HB       TYR  67  22.292   2.335   5.052
  492   2HB   TYR  67          2HB       TYR  67  23.211   2.464   3.552
  493    HD1  TYR  67           HD1      TYR  67  21.009   1.663   1.625
  494    HD2  TYR  67           HD2      TYR  67  21.039   4.369   4.962
  495    HE1  TYR  67           HE1      TYR  67  19.156   2.952   0.598
  496    HE2  TYR  67           HE2      TYR  67  19.185   5.656   3.934
  497    HH   TYR  67           HH       TYR  67  17.197   4.649   1.824
  498    H    LYS  68           H        LYS  68  22.165  -1.710   4.729
  499    HA   LYS  68           HA       LYS  68  25.084  -1.931   4.707
  500   1HB   LYS  68          1HB       LYS  68  23.566  -1.249   7.163
  501   2HB   LYS  68          2HB       LYS  68  24.755  -2.542   7.331
  502   1HG   LYS  68          1HG       LYS  68  26.153  -0.702   5.854
  503   2HG   LYS  68          2HG       LYS  68  25.168   0.343   6.880
  504   1HD   LYS  68          1HD       LYS  68  26.013  -0.675   8.880
  505   2HD   LYS  68          2HD       LYS  68  26.774  -1.980   7.969
  506   1HE   LYS  68          1HE       LYS  68  27.708   0.553   6.966
  507   2HE   LYS  68          2HE       LYS  68  27.927   0.499   8.715
  508   1HZ   LYS  68          1HZ       LYS  68  28.936  -1.749   8.372
  509   2HZ   LYS  68          2HZ       LYS  68  28.930  -1.436   6.706
  510   3HZ   LYS  68          3HZ       LYS  68  29.842  -0.453   7.749
  511    HA   PRO  69           HA       PRO  69  22.560  -5.859   4.608
  512   1HB   PRO  69          1HB       PRO  69  22.984  -6.449   1.958
  513   2HB   PRO  69          2HB       PRO  69  21.598  -5.510   2.539
  514   1HG   PRO  69          2HG       PRO  69  24.045  -4.564   1.119
  515   2HG   PRO  69          1HG       PRO  69  22.423  -3.852   1.155
  516   1HD   PRO  69          1HD       PRO  69  24.660  -2.958   2.642
  517   2HD   PRO  69          2HD       PRO  69  22.969  -2.482   2.908
  518    H    LEU  70           H        LEU  70  24.764  -6.079   5.892
  519    HA   LEU  70           HA       LEU  70  26.790  -7.224   6.210
  520   1HB   LEU  70          1HB       LEU  70  24.971  -8.933   4.954
  521   2HB   LEU  70          2HB       LEU  70  26.451  -9.106   4.009
  522    HG   LEU  70           HG       LEU  70  27.716  -9.484   6.123
  523   1HD1  LEU  70          1HD1      LEU  70  24.936  -9.458   7.341
  524   2HD1  LEU  70          2HD1      LEU  70  26.406  -9.950   8.182
  525   3HD1  LEU  70          3HD1      LEU  70  26.213  -8.281   7.647
  526   1HD2  LEU  70          1HD2      LEU  70  26.292 -11.273   4.689
  527   2HD2  LEU  70          2HD2      LEU  70  27.237 -11.733   6.106
  528   3HD2  LEU  70          3HD2      LEU  70  25.499 -11.469   6.253
  529    H    SER  71           H        SER  71  28.333  -8.610   4.179
  530    HA   SER  71           HA       SER  71  29.540  -6.238   2.902
  531   1HB   SER  71          1HB       SER  71  30.427  -9.138   2.949
  532   2HB   SER  71          2HB       SER  71  31.362  -7.798   2.292
  533    HG   SER  71           HG       SER  71  31.839  -8.413   4.520
  534    H    GLN  72           H        GLN  72  30.340  -6.640   0.543
  535    HA   GLN  72           HA       GLN  72  28.851  -8.439  -1.142
  536   1HB   GLN  72          2HB       GLN  72  27.318  -6.921  -2.195
  537   2HB   GLN  72          1HB       GLN  72  27.070  -6.755  -0.457
  538   1HG   GLN  72          1HG       GLN  72  28.849  -4.949  -2.122
  539   2HG   GLN  72          2HG       GLN  72  27.207  -4.548  -1.614
  540   2HE2  GLN  72          2HE2      GLN  72  26.947  -5.024   0.960
  541   1HE2  GLN  72          1HE2      GLN  72  28.190  -4.361   1.908
  542    H    GLU  73           H        GLU  73  29.661  -8.383  -3.280
  543    HA   GLU  73           HA       GLU  73  31.960  -6.514  -3.668
  544   1HB   GLU  73          1HB       GLU  73  31.462  -9.351  -4.376
  545   2HB   GLU  73          2HB       GLU  73  32.292  -8.393  -5.603
  546   1HG   GLU  73          2HG       GLU  73  34.065  -9.188  -4.283
  547   2HG   GLU  73          1HG       GLU  73  33.777  -7.578  -3.622
  548    H    GLU  74           H        GLU  74  29.829  -5.133  -4.221
  549    HA   GLU  74           HA       GLU  74  28.722  -5.601  -6.875
  550   1HB   GLU  74          1HB       GLU  74  28.374  -3.634  -4.695
  551   2HB   GLU  74          2HB       GLU  74  28.124  -2.993  -6.319
  552   1HG   GLU  74          1HG       GLU  74  26.392  -4.533  -6.788
  553   2HG   GLU  74          2HG       GLU  74  26.849  -5.584  -5.448
  554    H    LEU  75           H        LEU  75  31.688  -4.449  -5.831
  555    HA   LEU  75           HA       LEU  75  32.001  -2.839  -8.333
  556   1HB   LEU  75          1HB       LEU  75  33.219  -2.484  -5.593
  557   2HB   LEU  75          2HB       LEU  75  33.937  -1.752  -7.029
  558    HG   LEU  75           HG       LEU  75  31.077  -1.300  -6.985
  559   1HD1  LEU  75          1HD1      LEU  75  31.913  -1.471  -4.437
  560   2HD1  LEU  75          2HD1      LEU  75  32.402   0.189  -4.769
  561   3HD1  LEU  75          3HD1      LEU  75  30.714  -0.286  -4.953
  562   1HD2  LEU  75          1HD2      LEU  75  33.580   0.398  -6.990
  563   2HD2  LEU  75          2HD2      LEU  75  32.485   0.071  -8.333
  564   3HD2  LEU  75          3HD2      LEU  75  31.968   1.112  -7.008
  565    H    GLN  76           H        GLN  76  34.036  -4.613  -5.967
  566    HA   GLN  76           HA       GLN  76  34.986  -6.556  -7.794
  567   1HB   GLN  76          1HB       GLN  76  37.290  -5.587  -8.218
  568   2HB   GLN  76          2HB       GLN  76  35.983  -4.784  -9.088
  569   1HG   GLN  76          1HG       GLN  76  35.874  -3.141  -7.138
  570   2HG   GLN  76          2HG       GLN  76  37.398  -3.839  -6.589
  571   2HE2  GLN  76          2HE2      GLN  76  39.180  -3.883  -8.381
  572   1HE2  GLN  76          1HE2      GLN  76  39.256  -2.534  -9.407
  573    H    ARG  77           H        ARG  77  35.957  -4.402  -5.131
  574    HA   ARG  77           HA       ARG  77  36.883  -6.831  -3.672
  575   1HB   ARG  77          1HB       ARG  77  38.759  -5.337  -4.730
  576   2HB   ARG  77          2HB       ARG  77  38.382  -4.240  -3.401
  577   1HG   ARG  77          1HG       ARG  77  38.535  -6.487  -1.977
  578   2HG   ARG  77          2HG       ARG  77  39.573  -6.979  -3.316
  579   1HD   ARG  77          1HD       ARG  77  40.246  -4.293  -2.550
  580   2HD   ARG  77          2HD       ARG  77  40.257  -5.321  -1.117
  581    HE   ARG  77           HE       ARG  77  41.631  -6.686  -3.206
  582   1HH1  ARG  77          1HH1      ARG  77  41.880  -4.233  -0.815
  583   2HH1  ARG  77          2HH1      ARG  77  43.600  -4.077  -0.955
  584   1HH2  ARG  77          1HH2      ARG  77  43.860  -6.361  -3.552
  585   2HH2  ARG  77          2HH2      ARG  77  44.720  -5.282  -2.505
  586    H    ILE  78           H        ILE  78  35.579  -6.945  -1.913
  587    HA   ILE  78           HA       ILE  78  34.314  -6.278  -0.054
  588    HB   ILE  78           HB       ILE  78  35.995  -3.778   0.032
  589   1HG1  ILE  78          1HG1      ILE  78  36.922  -6.440   1.117
  590   2HG1  ILE  78          2HG1      ILE  78  37.349  -5.920  -0.513
  591   1HG2  ILE  78          1HG2      ILE  78  34.534  -5.550   1.962
  592   2HG2  ILE  78          2HG2      ILE  78  35.929  -4.633   2.530
  593   3HG2  ILE  78          3HG2      ILE  78  34.539  -3.790   1.848
  594   1HD1  ILE  78          1HD1      ILE  78  37.759  -3.842   1.523
  595   2HD1  ILE  78          2HD1      ILE  78  38.759  -5.274   1.764
  596   3HD1  ILE  78          3HD1      ILE  78  38.839  -4.389   0.241

  No H/Q in entry =         596
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1 -33.927  14.591  -7.591
    2    H2   MET   1           H2       MET   1 -35.089  15.795  -7.866
    3    H3   MET   1           H3       MET   1 -33.605  15.843  -8.692
    4    HA   MET   1           HA       MET   1 -32.407  16.425  -6.786
    5   1HB   MET   1          1HB       MET   1 -35.093  17.829  -6.845
    6   2HB   MET   1          2HB       MET   1 -33.717  18.397  -5.900
    7   1HG   MET   1          1HG       MET   1 -32.569  19.106  -7.747
    8   2HG   MET   1          2HG       MET   1 -33.167  17.785  -8.752
    9   1HE   MET   1          1HE       MET   1 -35.555  17.437  -9.122
   10   2HE   MET   1          2HE       MET   1 -36.588  18.355  -8.029
   11   3HE   MET   1          3HE       MET   1 -36.626  18.678  -9.768
   12    H    SER   2           H        SER   2 -32.663  17.037  -4.358
   13    HA   SER   2           HA       SER   2 -34.620  16.141  -2.627
   14   1HB   SER   2          1HB       SER   2 -33.086  13.887  -3.803
   15   2HB   SER   2          2HB       SER   2 -33.334  13.827  -2.061
   16    HG   SER   2           HG       SER   2 -35.036  13.143  -3.896
   17    H    ARG   3           H        ARG   3 -33.486  15.207  -0.447
   18    HA   ARG   3           HA       ARG   3 -31.658  17.247   0.388
   19   1HB   ARG   3          1HB       ARG   3 -32.263  14.560   1.661
   20   2HB   ARG   3          2HB       ARG   3 -31.447  15.906   2.458
   21   1HG   ARG   3          1HG       ARG   3 -34.051  16.536   1.176
   22   2HG   ARG   3          2HG       ARG   3 -34.119  15.513   2.612
   23   1HD   ARG   3          1HD       ARG   3 -32.515  18.071   2.560
   24   2HD   ARG   3          2HD       ARG   3 -34.224  18.055   2.996
   25    HE   ARG   3           HE       ARG   3 -32.039  17.129   4.666
   26   1HH1  ARG   3          1HH1      ARG   3 -32.955  14.745   5.285
   27   2HH1  ARG   3          2HH1      ARG   3 -34.449  14.899   6.150
   28   1HH2  ARG   3          1HH2      ARG   3 -35.004  18.169   5.136
   29   2HH2  ARG   3          2HH2      ARG   3 -35.609  16.838   6.065
   30    H    SER   4           H        SER   4 -29.820  17.229  -0.974
   31    HA   SER   4           HA       SER   4 -28.314  15.087  -1.886
   32   1HB   SER   4          1HB       SER   4 -27.765  17.900  -1.258
   33   2HB   SER   4          2HB       SER   4 -26.343  16.869  -1.118
   34    HG   SER   4           HG       SER   4 -26.377  16.548  -3.207
   35    HA   PRO   5           HA       PRO   5 -26.698  13.131   1.707
   36   1HB   PRO   5          1HB       PRO   5 -24.622  11.796   0.497
   37   2HB   PRO   5          2HB       PRO   5 -26.318  11.301   0.356
   38   1HG   PRO   5          2HG       PRO   5 -24.580  12.647  -1.660
   39   2HG   PRO   5          1HG       PRO   5 -25.987  11.600  -1.912
   40   1HD   PRO   5          1HD       PRO   5 -25.967  14.426  -2.096
   41   2HD   PRO   5          2HD       PRO   5 -27.412  13.394  -2.016
   42    H    ASP   6           H        ASP   6 -24.745  13.129   3.078
   43    HA   ASP   6           HA       ASP   6 -23.389  15.627   3.176
   44   1HB   ASP   6          1HB       ASP   6 -23.606  14.155   5.139
   45   2HB   ASP   6          2HB       ASP   6 -22.552  12.966   4.373
   46    H    ALA   7           H        ALA   7 -22.062  12.427   2.234
   47    HA   ALA   7           HA       ALA   7 -20.272  13.865   0.338
   48   1HB   ALA   7          1HB       ALA   7 -19.211  13.171   2.654
   49   2HB   ALA   7          3HB       ALA   7 -19.180  11.565   1.927
   50   3HB   ALA   7          2HB       ALA   7 -18.317  12.898   1.158
   51    H    LYS   8           H        LYS   8 -19.241  12.244  -1.214
   52    HA   LYS   8           HA       LYS   8 -21.327  10.492  -2.243
   53   1HB   LYS   8          2HB       LYS   8 -19.802  10.074  -4.075
   54   2HB   LYS   8          1HB       LYS   8 -19.712  11.792  -3.682
   55   1HG   LYS   8          1HG       LYS   8 -17.824  10.554  -2.006
   56   2HG   LYS   8          2HG       LYS   8 -17.620   9.785  -3.580
   57   1HD   LYS   8          1HD       LYS   8 -17.665  12.779  -3.090
   58   2HD   LYS   8          2HD       LYS   8 -16.217  11.815  -3.382
   59   1HE   LYS   8          1HE       LYS   8 -18.296  11.374  -5.396
   60   2HE   LYS   8          2HE       LYS   8 -17.743  13.047  -5.338
   61   1HZ   LYS   8          1HZ       LYS   8 -15.587  11.184  -5.137
   62   2HZ   LYS   8          2HZ       LYS   8 -16.470  10.970  -6.569
   63   3HZ   LYS   8          3HZ       LYS   8 -15.794  12.486  -6.208
   64    H    GLU   9           H        GLU   9 -21.335   8.229  -2.238
   65    HA   GLU   9           HA       GLU   9 -19.671   6.977  -0.149
   66   1HB   GLU   9          1HB       GLU   9 -22.275   6.562  -1.121
   67   2HB   GLU   9          2HB       GLU   9 -21.361   5.140  -1.626
   68   1HG   GLU   9          1HG       GLU   9 -21.917   4.455   0.498
   69   2HG   GLU   9          2HG       GLU   9 -20.435   5.331   0.880
   70    H    ASP  10           H        ASP  10 -18.594   4.861  -0.649
   71    HA   ASP  10           HA       ASP  10 -17.933   4.311  -3.448
   72   1HB   ASP  10          1HB       ASP  10 -15.460   4.604  -3.043
   73   2HB   ASP  10          2HB       ASP  10 -16.370   6.114  -3.075
   74    HA   PRO  11           HA       PRO  11 -17.790   0.563  -0.918
   75   1HB   PRO  11          1HB       PRO  11 -18.585  -1.085  -2.971
   76   2HB   PRO  11          2HB       PRO  11 -19.713  -0.175  -1.950
   77   1HG   PRO  11          2HG       PRO  11 -18.883   0.354  -4.766
   78   2HG   PRO  11          1HG       PRO  11 -20.388   0.789  -3.938
   79   1HD   PRO  11          1HD       PRO  11 -18.228   2.538  -4.466
   80   2HD   PRO  11          2HD       PRO  11 -19.576   2.853  -3.353
   81    H    VAL  12           H        VAL  12 -15.385   0.892  -0.974
   82    HA   VAL  12           HA       VAL  12 -13.982  -0.407  -3.240
   83    HB   VAL  12           HB       VAL  12 -12.714   0.814  -0.782
   84   1HG1  VAL  12          1HG1      VAL  12 -11.628  -0.600  -2.852
   85   2HG1  VAL  12          2HG1      VAL  12 -11.506   1.048  -3.468
   86   3HG1  VAL  12          3HG1      VAL  12 -10.756   0.624  -1.929
   87   1HG2  VAL  12          1HG2      VAL  12 -14.425   2.254  -2.291
   88   2HG2  VAL  12          2HG2      VAL  12 -12.951   2.947  -1.612
   89   3HG2  VAL  12          3HG2      VAL  12 -12.978   2.402  -3.289
   90    H    GLU  13           H        GLU  13 -12.629  -2.250  -2.918
   91    HA   GLU  13           HA       GLU  13 -12.793  -3.571  -0.258
   92   1HB   GLU  13          2HB       GLU  13 -13.527  -5.664  -1.189
   93   2HB   GLU  13          1HB       GLU  13 -14.641  -4.426  -1.773
   94   1HG   GLU  13          1HG       GLU  13 -13.312  -4.267  -3.874
   95   2HG   GLU  13          2HG       GLU  13 -12.289  -5.583  -3.296
   96    H    CYS  14           H        CYS  14 -11.104  -5.155   0.062
   97    HA   CYS  14           HA       CYS  14  -8.605  -4.446  -1.153
   98   1HB   CYS  14          1HB       CYS  14  -8.787  -5.388   1.129
   99   2HB   CYS  14          2HB       CYS  14  -9.327  -6.921   0.444
  100    HA   PRO  15           HA       PRO  15  -9.141  -7.098  -4.724
  101   1HB   PRO  15          1HB       PRO  15  -6.852  -6.258  -5.991
  102   2HB   PRO  15          2HB       PRO  15  -8.365  -5.334  -5.998
  103   1HG   PRO  15          2HG       PRO  15  -5.852  -4.802  -4.489
  104   2HG   PRO  15          1HG       PRO  15  -7.116  -3.670  -4.998
  105   1HD   PRO  15          1HD       PRO  15  -6.773  -4.743  -2.388
  106   2HD   PRO  15          2HD       PRO  15  -8.176  -3.824  -2.975
  107    H    LEU  16           H        LEU  16  -6.661  -7.115  -2.372
  108    HA   LEU  16           HA       LEU  16  -5.093  -9.286  -3.581
  109   1HB   LEU  16          1HB       LEU  16  -4.952  -7.686  -1.042
  110   2HB   LEU  16          2HB       LEU  16  -4.045  -9.191  -1.175
  111    HG   LEU  16           HG       LEU  16  -2.858  -7.002  -1.873
  112   1HD1  LEU  16          1HD1      LEU  16  -3.010  -9.533  -3.498
  113   2HD1  LEU  16          2HD1      LEU  16  -1.908  -8.234  -3.957
  114   3HD1  LEU  16          3HD1      LEU  16  -1.750  -9.011  -2.382
  115   1HD2  LEU  16          1HD2      LEU  16  -4.932  -6.339  -3.284
  116   2HD2  LEU  16          2HD2      LEU  16  -3.340  -6.089  -4.005
  117   3HD2  LEU  16          3HD2      LEU  16  -4.314  -7.484  -4.475
  118    H    CYS  17           H        CYS  17  -7.421  -8.915  -0.901
  119    HA   CYS  17           HA       CYS  17  -7.582 -11.907  -0.819
  120   1HB   CYS  17          1HB       CYS  17  -7.896 -11.835   1.563
  121   2HB   CYS  17          2HB       CYS  17  -6.481 -10.845   1.209
  122    H    MET  18           H        MET  18  -9.212  -8.930  -1.156
  123    HA   MET  18           HA       MET  18 -11.436  -8.545  -1.783
  124   1HB   MET  18          1HB       MET  18 -11.219 -11.036  -2.594
  125   2HB   MET  18          2HB       MET  18 -12.172 -11.386  -1.151
  126   1HG   MET  18          1HG       MET  18 -13.538  -9.254  -2.207
  127   2HG   MET  18          2HG       MET  18 -12.983 -10.077  -3.665
  128   1HE   MET  18          1HE       MET  18 -14.100 -11.782  -4.735
  129   2HE   MET  18          2HE       MET  18 -13.124 -12.878  -3.760
  130   3HE   MET  18          3HE       MET  18 -14.849 -13.193  -3.995
  131    H    GLU  19           H        GLU  19 -12.095  -7.259  -0.102
  132    HA   GLU  19           HA       GLU  19 -13.727  -8.446   1.993
  133   1HB   GLU  19          1HB       GLU  19 -10.926  -7.566   2.540
  134   2HB   GLU  19          2HB       GLU  19 -12.154  -7.149   3.735
  135   1HG   GLU  19          1HG       GLU  19 -12.637  -9.840   3.000
  136   2HG   GLU  19          2HG       GLU  19 -10.899  -9.699   3.260
  137    HA   PRO  20           HA       PRO  20 -15.413  -4.395   1.945
  138   1HB   PRO  20          1HB       PRO  20 -16.271  -4.119   4.539
  139   2HB   PRO  20          2HB       PRO  20 -17.080  -5.147   3.344
  140   1HG   PRO  20          2HG       PRO  20 -15.342  -5.943   5.635
  141   2HG   PRO  20          1HG       PRO  20 -16.639  -6.854   4.842
  142   1HD   PRO  20          1HD       PRO  20 -13.868  -7.239   4.439
  143   2HD   PRO  20          2HD       PRO  20 -15.167  -7.876   3.407
  144    H    LEU  21           H        LEU  21 -13.957  -2.732   1.717
  145    HA   LEU  21           HA       LEU  21 -11.890  -2.187   3.695
  146   1HB   LEU  21          1HB       LEU  21 -12.790  -0.897   1.132
  147   2HB   LEU  21          2HB       LEU  21 -11.685  -0.038   2.207
  148    HG   LEU  21           HG       LEU  21 -11.145  -2.889   1.389
  149   1HD1  LEU  21          1HD1      LEU  21 -11.424  -1.572  -0.681
  150   2HD1  LEU  21          2HD1      LEU  21 -10.286  -0.371  -0.069
  151   3HD1  LEU  21          3HD1      LEU  21  -9.733  -2.006  -0.431
  152   1HD2  LEU  21          1HD2      LEU  21  -9.916  -1.780   3.295
  153   2HD2  LEU  21          2HD2      LEU  21  -8.869  -2.304   1.978
  154   3HD2  LEU  21          3HD2      LEU  21  -9.299  -0.601   2.137
  155    H    GLU  22           H        GLU  22 -11.785   0.437   4.148
  156    HA   GLU  22           HA       GLU  22 -14.442   1.410   5.008
  157   1HB   GLU  22          1HB       GLU  22 -12.745   0.037   6.795
  158   2HB   GLU  22          2HB       GLU  22 -12.570   1.747   7.190
  159   1HG   GLU  22          1HG       GLU  22 -15.333   0.740   6.695
  160   2HG   GLU  22          2HG       GLU  22 -14.556   0.258   8.204
  161    H    ILE  23           H        ILE  23 -14.075   3.670   6.112
  162    HA   ILE  23           HA       ILE  23 -12.805   5.388   4.253
  163    HB   ILE  23           HB       ILE  23 -13.659   5.768   7.128
  164   1HG1  ILE  23          1HG1      ILE  23 -15.375   5.503   5.324
  165   2HG1  ILE  23          2HG1      ILE  23 -15.436   7.086   6.100
  166   1HG2  ILE  23          1HG2      ILE  23 -12.230   7.669   5.278
  167   2HG2  ILE  23          2HG2      ILE  23 -13.375   8.279   6.473
  168   3HG2  ILE  23          3HG2      ILE  23 -11.951   7.378   6.994
  169   1HD1  ILE  23          1HD1      ILE  23 -13.575   7.073   3.863
  170   2HD1  ILE  23          2HD1      ILE  23 -15.195   6.600   3.356
  171   3HD1  ILE  23          3HD1      ILE  23 -14.942   8.144   4.170
  172    H    ASP  24           H        ASP  24 -11.650   4.269   7.446
  173    HA   ASP  24           HA       ASP  24  -9.093   5.600   7.188
  174   1HB   ASP  24          1HB       ASP  24 -10.487   4.101   9.182
  175   2HB   ASP  24          2HB       ASP  24  -8.899   3.366   8.958
  176    H    ASP  25           H        ASP  25 -10.191   2.245   6.668
  177    HA   ASP  25           HA       ASP  25  -7.570   1.258   5.974
  178   1HB   ASP  25          1HB       ASP  25 -10.313   0.173   5.269
  179   2HB   ASP  25          2HB       ASP  25  -8.795  -0.705   5.090
  180    H    ILE  26           H        ILE  26  -9.688   3.320   4.336
  181    HA   ILE  26           HA       ILE  26  -8.924   2.411   1.640
  182    HB   ILE  26           HB       ILE  26 -10.687   4.600   2.727
  183   1HG1  ILE  26          1HG1      ILE  26 -11.310   2.596   0.567
  184   2HG1  ILE  26          2HG1      ILE  26 -11.327   2.105   2.261
  185   1HG2  ILE  26          1HG2      ILE  26  -9.531   4.341  -0.051
  186   2HG2  ILE  26          2HG2      ILE  26 -11.094   5.113   0.222
  187   3HG2  ILE  26          3HG2      ILE  26  -9.638   5.780   0.963
  188   1HD1  ILE  26          1HD1      ILE  26 -12.766   4.378   2.453
  189   2HD1  ILE  26          2HD1      ILE  26 -13.170   3.921   0.797
  190   3HD1  ILE  26          3HD1      ILE  26 -13.504   2.810   2.126
  191    H    ASN  27           H        ASN  27  -7.610   4.401   4.059
  192    HA   ASN  27           HA       ASN  27  -5.997   5.889   2.026
  193   1HB   ASN  27          1HB       ASN  27  -6.617   6.525   4.924
  194   2HB   ASN  27          2HB       ASN  27  -5.458   7.426   3.947
  195   2HD2  ASN  27          2HD2      ASN  27  -6.474   9.358   3.373
  196   1HD2  ASN  27          1HD2      ASN  27  -8.047   9.475   2.748
  197    H    PHE  28           H        PHE  28  -5.740   3.098   3.415
  198    HA   PHE  28           HA       PHE  28  -2.932   3.489   4.371
  199   1HB   PHE  28          1HB       PHE  28  -4.246   2.538   6.143
  200   2HB   PHE  28          2HB       PHE  28  -4.997   1.379   5.047
  201    HD1  PHE  28           HD1      PHE  28  -1.823   2.325   6.719
  202    HD2  PHE  28           HD2      PHE  28  -3.892  -0.660   4.428
  203    HE1  PHE  28           HE1      PHE  28   0.008   0.714   7.166
  204    HE2  PHE  28           HE2      PHE  28  -2.062  -2.272   4.874
  205    HZ   PHE  28           HZ       PHE  28  -0.111  -1.585   6.245
  206    H    PHE  29           H        PHE  29  -1.716   3.160   2.528
  207    HA   PHE  29           HA       PHE  29  -2.272   0.652   0.989
  208   1HB   PHE  29          1HB       PHE  29  -0.785   2.060  -0.758
  209   2HB   PHE  29          2HB       PHE  29  -2.537   2.208  -0.691
  210    HD1  PHE  29           HD1      PHE  29   0.665   3.743   0.415
  211    HD2  PHE  29           HD2      PHE  29  -3.599   4.199   0.076
  212    HE1  PHE  29           HE1      PHE  29   0.867   6.149   1.003
  213    HE2  PHE  29           HE2      PHE  29  -3.396   6.593   0.666
  214    HZ   PHE  29           HZ       PHE  29  -1.161   7.572   1.128
  215    HA   PRO  30           HA       PRO  30   1.822  -0.514   2.158
  216   1HB   PRO  30          1HB       PRO  30   2.119  -2.561   0.343
  217   2HB   PRO  30          2HB       PRO  30   1.147  -2.706   1.819
  218   1HG   PRO  30          2HG       PRO  30   0.237  -2.404  -1.005
  219   2HG   PRO  30          1HG       PRO  30  -0.595  -3.154   0.367
  220   1HD   PRO  30          1HD       PRO  30  -1.117  -0.575  -0.677
  221   2HD   PRO  30          2HD       PRO  30  -1.691  -1.206   0.881
  222    H    CYS  31           H        CYS  31   0.836   0.472  -1.016
  223    HA   CYS  31           HA       CYS  31   3.673   1.129  -1.696
  224   1HB   CYS  31          1HB       CYS  31   2.885  -0.603  -3.203
  225   2HB   CYS  31          2HB       CYS  31   1.406   0.303  -3.528
  226    H    THR  32           H        THR  32   3.975   3.186  -2.765
  227    HA   THR  32           HA       THR  32   1.879   5.146  -2.063
  228    HB   THR  32           HB       THR  32   4.149   5.739  -1.457
  229    HG1  THR  32           HG1      THR  32   3.849   7.319  -3.716
  230   1HG2  THR  32          1HG2      THR  32   4.719   5.208  -4.379
  231   2HG2  THR  32          2HG2      THR  32   5.829   6.093  -3.334
  232   3HG2  THR  32          3HG2      THR  32   5.437   4.410  -2.981
  233    H    CYS  33           H        CYS  33   0.920   3.597  -4.131
  234    HA   CYS  33           HA       CYS  33   1.155   5.483  -6.437
  235   1HB   CYS  33          1HB       CYS  33   0.975   3.678  -7.996
  236   2HB   CYS  33          2HB       CYS  33   2.218   3.212  -6.836
  237    H    GLY  34           H        GLY  34  -0.922   3.618  -4.339
  238   1HA   GLY  34          2HA       GLY  34  -3.281   4.717  -5.816
  239   2HA   GLY  34          1HA       GLY  34  -3.169   4.780  -4.057
  240    H    TYR  35           H        TYR  35  -1.777   1.910  -4.910
  241    HA   TYR  35           HA       TYR  35  -4.294   0.395  -5.237
  242   1HB   TYR  35          1HB       TYR  35  -1.859  -0.068  -6.262
  243   2HB   TYR  35          2HB       TYR  35  -1.679  -0.970  -4.758
  244    HD1  TYR  35           HD1      TYR  35  -4.271  -0.455  -7.433
  245    HD2  TYR  35           HD2      TYR  35  -2.294  -3.219  -4.800
  246    HE1  TYR  35           HE1      TYR  35  -5.586  -2.323  -8.402
  247    HE2  TYR  35           HE2      TYR  35  -3.609  -5.081  -5.770
  248    HH   TYR  35           HH       TYR  35  -6.120  -4.486  -8.214
  249    H    GLN  36           H        GLN  36  -4.306   1.760  -2.833
  250    HA   GLN  36           HA       GLN  36  -3.170   0.393  -0.623
  251   1HB   GLN  36          1HB       GLN  36  -4.431   1.798   0.713
  252   2HB   GLN  36          2HB       GLN  36  -4.475   2.693  -0.801
  253   1HG   GLN  36          1HG       GLN  36  -6.621   0.722   0.036
  254   2HG   GLN  36          2HG       GLN  36  -6.710   2.457   0.340
  255   2HE2  GLN  36          2HE2      GLN  36  -6.828   3.901  -1.566
  256   1HE2  GLN  36          1HE2      GLN  36  -7.368   3.300  -3.059
  257    H    ILE  37           H        ILE  37  -3.764  -1.398   0.510
  258    HA   ILE  37           HA       ILE  37  -6.244  -2.810  -0.393
  259    HB   ILE  37           HB       ILE  37  -5.013  -4.924   0.113
  260   1HG1  ILE  37          1HG1      ILE  37  -2.496  -3.276   0.237
  261   2HG1  ILE  37          2HG1      ILE  37  -3.423  -3.580   1.706
  262   1HG2  ILE  37          1HG2      ILE  37  -3.717  -3.008  -1.848
  263   2HG2  ILE  37          2HG2      ILE  37  -3.406  -4.744  -1.815
  264   3HG2  ILE  37          3HG2      ILE  37  -5.022  -4.144  -2.185
  265   1HD1  ILE  37          1HD1      ILE  37  -3.155  -6.030   0.212
  266   2HD1  ILE  37          2HD1      ILE  37  -1.564  -5.313   0.464
  267   3HD1  ILE  37          3HD1      ILE  37  -2.599  -5.667   1.846
  268    H    CYS  38           H        CYS  38  -6.130  -4.831   1.595
  269    HA   CYS  38           HA       CYS  38  -7.107  -3.305   3.889
  270   1HB   CYS  38          1HB       CYS  38  -7.972  -5.354   4.692
  271   2HB   CYS  38          2HB       CYS  38  -8.104  -5.501   2.943
  272    H    ARG  39           H        ARG  39  -6.268  -3.830   6.126
  273    HA   ARG  39           HA       ARG  39  -3.369  -3.581   6.116
  274   1HB   ARG  39          1HB       ARG  39  -5.552  -3.283   8.057
  275   2HB   ARG  39          2HB       ARG  39  -4.065  -3.931   8.753
  276   1HG   ARG  39          1HG       ARG  39  -2.780  -2.064   7.850
  277   2HG   ARG  39          2HG       ARG  39  -4.211  -1.440   7.030
  278   1HD   ARG  39          1HD       ARG  39  -4.629  -1.898   9.898
  279   2HD   ARG  39          2HD       ARG  39  -3.380  -0.700   9.557
  280    HE   ARG  39           HE       ARG  39  -5.124   0.481   8.148
  281   1HH1  ARG  39          1HH1      ARG  39  -6.573  -2.237   9.424
  282   2HH1  ARG  39          2HH1      ARG  39  -7.904  -1.411  10.164
  283   1HH2  ARG  39          1HH2      ARG  39  -6.601   1.751   9.594
  284   2HH2  ARG  39          2HH2      ARG  39  -7.919   0.847  10.260
  285    H    PHE  40           H        PHE  40  -5.387  -6.276   6.018
  286    HA   PHE  40           HA       PHE  40  -3.544  -7.957   7.619
  287   1HB   PHE  40          1HB       PHE  40  -6.294  -8.087   7.120
  288   2HB   PHE  40          2HB       PHE  40  -5.611  -9.410   6.175
  289    HD1  PHE  40           HD1      PHE  40  -3.282 -10.228   7.730
  290    HD2  PHE  40           HD2      PHE  40  -7.186  -9.042   9.076
  291    HE1  PHE  40           HE1      PHE  40  -2.968 -11.549   9.805
  292    HE2  PHE  40           HE2      PHE  40  -6.870 -10.363  11.151
  293    HZ   PHE  40           HZ       PHE  40  -4.761 -11.616  11.516
  294    H    CYS  41           H        CYS  41  -3.955  -6.943   4.391
  295    HA   CYS  41           HA       CYS  41  -2.691  -9.365   3.255
  296   1HB   CYS  41          1HB       CYS  41  -3.981  -6.908   2.149
  297   2HB   CYS  41          2HB       CYS  41  -2.744  -7.689   1.164
  298    H    TRP  42           H        TRP  42  -1.826  -6.267   4.486
  299    HA   TRP  42           HA       TRP  42   0.758  -6.187   3.073
  300   1HB   TRP  42          1HB       TRP  42  -0.212  -4.040   3.469
  301   2HB   TRP  42          2HB       TRP  42  -0.549  -4.422   5.156
  302    HD1  TRP  42           HD1      TRP  42   2.554  -4.142   2.851
  303    HE1  TRP  42           HE1      TRP  42   4.489  -3.151   4.238
  304    HE3  TRP  42           HE3      TRP  42   0.266  -3.741   7.400
  305    HZ2  TRP  42           HZ2      TRP  42   5.000  -2.303   6.922
  306    HZ3  TRP  42           HZ3      TRP  42   1.499  -2.839   9.352
  307    HH2  TRP  42           HH2      TRP  42   3.860  -2.120   9.119
  308    H    HIS  43           H        HIS  43  -0.530  -7.050   6.238
  309    HA   HIS  43           HA       HIS  43   2.036  -7.276   7.547
  310   1HB   HIS  43          1HB       HIS  43  -0.766  -7.822   8.186
  311   2HB   HIS  43          2HB       HIS  43   0.326  -9.032   8.860
  312    HD1  HIS  43           HD1      HIS  43   2.090  -8.226  10.597
  313    HD2  HIS  43           HD2      HIS  43  -0.462  -5.209   9.270
  314    HE1  HIS  43           HE1      HIS  43   2.429  -6.262  12.160
  315    H    ARG  44           H        ARG  44   0.670  -9.064   5.066
  316    HA   ARG  44           HA       ARG  44   2.211 -11.502   5.862
  317   1HB   ARG  44          1HB       ARG  44  -0.206 -11.216   4.051
  318   2HB   ARG  44          2HB       ARG  44   0.713 -12.709   4.244
  319   1HG   ARG  44          1HG       ARG  44   0.136 -11.730   6.854
  320   2HG   ARG  44          2HG       ARG  44  -1.364 -11.672   5.927
  321   1HD   ARG  44          1HD       ARG  44   0.258 -14.124   5.560
  322   2HD   ARG  44          2HD       ARG  44  -0.448 -13.918   7.164
  323    HE   ARG  44           HE       ARG  44  -2.646 -13.511   5.755
  324   1HH1  ARG  44          1HH1      ARG  44  -0.342 -14.813   3.784
  325   2HH1  ARG  44          2HH1      ARG  44  -1.169 -16.298   3.455
  326   1HH2  ARG  44          1HH2      ARG  44  -3.594 -15.795   5.881
  327   2HH2  ARG  44          2HH2      ARG  44  -3.009 -16.854   4.642
  328    H    ILE  45           H        ILE  45   1.520  -9.196   3.276
  329    HA   ILE  45           HA       ILE  45   3.162 -10.505   1.290
  330    HB   ILE  45           HB       ILE  45   2.113  -7.681   1.568
  331   1HG1  ILE  45          1HG1      ILE  45   1.434 -10.003  -0.266
  332   2HG1  ILE  45          2HG1      ILE  45   0.453  -9.427   1.083
  333   1HG2  ILE  45          1HG2      ILE  45   4.231  -8.712  -0.140
  334   2HG2  ILE  45          2HG2      ILE  45   2.873  -8.112  -1.093
  335   3HG2  ILE  45          3HG2      ILE  45   3.675  -7.051   0.065
  336   1HD1  ILE  45          1HD1      ILE  45   1.257  -7.574  -1.157
  337   2HD1  ILE  45          2HD1      ILE  45  -0.171  -8.602  -1.292
  338   3HD1  ILE  45          3HD1      ILE  45  -0.068  -7.398  -0.007
  339    H    ARG  46           H        ARG  46   3.818  -8.354   3.951
  340    HA   ARG  46           HA       ARG  46   6.474  -7.601   2.956
  341   1HB   ARG  46          1HB       ARG  46   5.070  -6.107   4.416
  342   2HB   ARG  46          2HB       ARG  46   5.313  -7.253   5.735
  343   1HG   ARG  46          2HG       ARG  46   7.021  -5.677   6.086
  344   2HG   ARG  46          1HG       ARG  46   7.847  -6.968   5.213
  345   1HD   ARG  46          1HD       ARG  46   6.564  -4.924   3.502
  346   2HD   ARG  46          2HD       ARG  46   7.922  -4.345   4.467
  347    HE   ARG  46           HE       ARG  46   8.071  -6.480   2.398
  348   1HH1  ARG  46          1HH1      ARG  46   9.445  -3.685   3.596
  349   2HH1  ARG  46          2HH1      ARG  46  11.084  -4.238   3.523
  350   1HH2  ARG  46          1HH2      ARG  46  10.226  -7.513   2.776
  351   2HH2  ARG  46          2HH2      ARG  46  11.526  -6.405   3.059
  352    H    THR  47           H        THR  47   5.081  -9.991   5.132
  353    HA   THR  47           HA       THR  47   7.844 -10.980   5.715
  354    HB   THR  47           HB       THR  47   6.479 -10.358   7.703
  355    HG1  THR  47           HG1      THR  47   7.722 -11.901   8.398
  356   1HG2  THR  47          1HG2      THR  47   4.289 -10.976   6.574
  357   2HG2  THR  47          2HG2      THR  47   4.690 -12.662   6.904
  358   3HG2  THR  47          3HG2      THR  47   4.460 -11.533   8.239
  359    H    ASP  48           H        ASP  48   5.832 -11.509   3.385
  360    HA   ASP  48           HA       ASP  48   6.288 -14.442   3.393
  361   1HB   ASP  48          1HB       ASP  48   3.893 -13.776   4.188
  362   2HB   ASP  48          2HB       ASP  48   3.620 -13.376   2.491
  363    H    GLU  49           H        GLU  49   4.659 -11.950   1.387
  364    HA   GLU  49           HA       GLU  49   5.768 -13.147  -1.043
  365   1HB   GLU  49          1HB       GLU  49   3.517 -11.720  -0.586
  366   2HB   GLU  49          2HB       GLU  49   4.581 -10.424  -1.134
  367   1HG   GLU  49          1HG       GLU  49   4.458 -11.132  -3.268
  368   2HG   GLU  49          2HG       GLU  49   4.893 -12.777  -2.800
  369    H    ASN  50           H        ASN  50   6.324 -10.722  -2.472
  370    HA   ASN  50           HA       ASN  50   9.040 -10.218  -1.438
  371   1HB   ASN  50          1HB       ASN  50   7.603  -9.476  -3.996
  372   2HB   ASN  50          2HB       ASN  50   9.214  -8.872  -3.609
  373   2HD2  ASN  50          2HD2      ASN  50   9.032 -10.481  -5.860
  374   1HD2  ASN  50          1HD2      ASN  50   9.691 -12.014  -5.547
  375    H    GLY  51           H        GLY  51   6.313  -9.044  -0.394
  376   1HA   GLY  51          2HA       GLY  51   7.286  -6.659   0.706
  377   2HA   GLY  51          1HA       GLY  51   5.569  -6.980   0.456
  378    H    LEU  52           H        LEU  52   5.853  -7.222  -2.455
  379    HA   LEU  52           HA       LEU  52   6.598  -4.421  -3.167
  380   1HB   LEU  52          1HB       LEU  52   6.340  -6.925  -4.854
  381   2HB   LEU  52          2HB       LEU  52   6.601  -5.317  -5.530
  382    HG   LEU  52           HG       LEU  52   8.437  -6.885  -3.708
  383   1HD1  LEU  52          1HD1      LEU  52   8.425  -7.132  -6.273
  384   2HD1  LEU  52          2HD1      LEU  52   9.055  -5.485  -6.314
  385   3HD1  LEU  52          3HD1      LEU  52   9.973  -6.762  -5.514
  386   1HD2  LEU  52          1HD2      LEU  52   8.469  -3.942  -4.437
  387   2HD2  LEU  52          2HD2      LEU  52   8.441  -4.646  -2.820
  388   3HD2  LEU  52          3HD2      LEU  52   9.884  -4.798  -3.823
  389    H    CYS  53           H        CYS  53   5.218  -3.672  -5.150
  390    HA   CYS  53           HA       CYS  53   2.401  -3.782  -4.288
  391   1HB   CYS  53          1HB       CYS  53   3.531  -1.612  -4.811
  392   2HB   CYS  53          2HB       CYS  53   3.693  -2.143  -6.484
  393    HA   PRO  54           HA       PRO  54   1.664  -6.739  -7.564
  394   1HB   PRO  54          1HB       PRO  54  -0.971  -7.166  -6.915
  395   2HB   PRO  54          2HB       PRO  54   0.383  -7.921  -6.056
  396   1HG   PRO  54          2HG       PRO  54  -1.384  -5.687  -5.178
  397   2HG   PRO  54          1HG       PRO  54  -0.474  -6.848  -4.198
  398   1HD   PRO  54          1HD       PRO  54   0.272  -4.163  -4.726
  399   2HD   PRO  54          2HD       PRO  54   1.303  -5.418  -4.004
  400    H    ALA  55           H        ALA  55   0.786  -3.579  -7.432
  401    HA   ALA  55           HA       ALA  55  -1.000  -3.816  -9.822
  402   1HB   ALA  55          1HB       ALA  55  -1.347  -2.372  -7.376
  403   2HB   ALA  55          3HB       ALA  55  -2.428  -2.437  -8.768
  404   3HB   ALA  55          2HB       ALA  55  -1.168  -1.206  -8.687
  405    H    CYS  56           H        CYS  56   1.818  -2.220  -8.418
  406    HA   CYS  56           HA       CYS  56   2.474  -1.257 -11.158
  407   1HB   CYS  56          1HB       CYS  56   2.913   0.933 -10.476
  408   2HB   CYS  56          2HB       CYS  56   1.500   0.535  -9.505
  409    H    ARG  57           H        ARG  57   3.367  -3.414  -9.105
  410    HA   ARG  57           HA       ARG  57   5.393  -4.304  -8.294
  411   1HB   ARG  57          1HB       ARG  57   5.430  -4.033 -11.054
  412   2HB   ARG  57          2HB       ARG  57   6.966  -3.324 -10.555
  413   1HG   ARG  57          1HG       ARG  57   7.807  -5.320  -9.872
  414   2HG   ARG  57          2HG       ARG  57   6.279  -5.819  -9.146
  415   1HD   ARG  57          2HD       ARG  57   6.557  -7.319 -10.947
  416   2HD   ARG  57          1HD       ARG  57   5.451  -6.104 -11.585
  417    HE   ARG  57           HE       ARG  57   7.340  -5.138 -12.830
  418   1HH1  ARG  57          1HH1      ARG  57   9.835  -5.588 -11.915
  419   2HH1  ARG  57          2HH1      ARG  57  10.371  -7.115 -12.531
  420   1HH2  ARG  57          1HH2      ARG  57   7.178  -8.213 -13.327
  421   2HH2  ARG  57          2HH2      ARG  57   8.865  -8.603 -13.332
  422    H    LYS  58           H        LYS  58   5.480  -2.591  -6.603
  423    HA   LYS  58           HA       LYS  58   8.013  -1.081  -6.837
  424   1HB   LYS  58          1HB       LYS  58   5.299   0.126  -6.518
  425   2HB   LYS  58          2HB       LYS  58   6.616   0.819  -5.571
  426   1HG   LYS  58          1HG       LYS  58   7.436   0.310  -8.316
  427   2HG   LYS  58          2HG       LYS  58   6.034   1.379  -8.248
  428   1HD   LYS  58          1HD       LYS  58   8.147   1.965  -6.263
  429   2HD   LYS  58          2HD       LYS  58   8.608   2.235  -7.944
  430   1HE   LYS  58          1HE       LYS  58   5.918   3.227  -7.268
  431   2HE   LYS  58          2HE       LYS  58   7.223   4.039  -6.402
  432   1HZ   LYS  58          1HZ       LYS  58   8.224   3.907  -8.876
  433   2HZ   LYS  58          2HZ       LYS  58   6.568   4.080  -9.218
  434   3HZ   LYS  58          3HZ       LYS  58   7.370   5.239  -8.269
  435    HA   PRO  59           HA       PRO  59   8.330  -2.641  -2.753
  436   1HB   PRO  59          1HB       PRO  59  10.353  -0.999  -1.856
  437   2HB   PRO  59          2HB       PRO  59  10.609  -2.373  -2.946
  438   1HG   PRO  59          2HG       PRO  59  10.592   0.549  -3.576
  439   2HG   PRO  59          1HG       PRO  59  11.462  -0.768  -4.382
  440   1HD   PRO  59          1HD       PRO  59   9.100   0.442  -5.326
  441   2HD   PRO  59          2HD       PRO  59   9.750  -1.118  -5.876
  442    H    TYR  60           H        TYR  60   6.910  -2.213  -1.127
  443    HA   TYR  60           HA       TYR  60   5.420   0.064  -0.708
  444   1HB   TYR  60          2HB       TYR  60   6.528  -1.710   1.487
  445   2HB   TYR  60          1HB       TYR  60   5.114  -0.665   1.620
  446    HD1  TYR  60           HD1      TYR  60   4.579  -1.417  -1.539
  447    HD2  TYR  60           HD2      TYR  60   4.901  -3.563   2.169
  448    HE1  TYR  60           HE1      TYR  60   3.158  -3.226  -2.462
  449    HE2  TYR  60           HE2      TYR  60   3.478  -5.371   1.245
  450    HH   TYR  60           HH       TYR  60   1.547  -5.076  -1.291
  451    HA   PRO  61           HA       PRO  61   8.469   3.014   0.629
  452   1HB   PRO  61          1HB       PRO  61   6.703   5.098   0.934
  453   2HB   PRO  61          2HB       PRO  61   7.326   4.566  -0.638
  454   1HG   PRO  61          2HG       PRO  61   4.618   4.175   0.529
  455   2HG   PRO  61          1HG       PRO  61   5.117   4.183  -1.169
  456   1HD   PRO  61          1HD       PRO  61   4.558   1.888   0.416
  457   2HD   PRO  61          2HD       PRO  61   5.285   1.906  -1.205
  458    H    GLU  62           H        GLU  62   8.929   2.086   2.727
  459    HA   GLU  62           HA       GLU  62   7.672   3.538   4.955
  460   1HB   GLU  62          1HB       GLU  62   6.239   1.504   4.612
  461   2HB   GLU  62          2HB       GLU  62   7.662   0.506   4.916
  462   1HG   GLU  62          1HG       GLU  62   7.832   1.218   7.160
  463   2HG   GLU  62          2HG       GLU  62   6.799   2.621   6.885
  464    H    ASP  63           H        ASP  63   9.986   1.054   3.905
  465    HA   ASP  63           HA       ASP  63  11.598   0.806   6.152
  466   1HB   ASP  63          1HB       ASP  63  12.178   0.829   3.212
  467   2HB   ASP  63          2HB       ASP  63  13.537   0.824   4.338
  468    HA   PRO  64           HA       PRO  64  13.253   4.802   6.898
  469   1HB   PRO  64          1HB       PRO  64  15.502   4.060   8.289
  470   2HB   PRO  64          2HB       PRO  64  13.867   4.004   8.969
  471   1HG   PRO  64          2HG       PRO  64  15.590   1.753   8.042
  472   2HG   PRO  64          1HG       PRO  64  14.292   1.749   9.247
  473   1HD   PRO  64          1HD       PRO  64  14.085   0.819   6.577
  474   2HD   PRO  64          2HD       PRO  64  12.733   1.117   7.689
  475    H    ALA  65           H        ALA  65  15.976   2.561   6.205
  476    HA   ALA  65           HA       ALA  65  16.934   4.558   4.191
  477   1HB   ALA  65          1HB       ALA  65  18.233   3.865   6.527
  478   2HB   ALA  65          2HB       ALA  65  18.983   2.795   5.342
  479   3HB   ALA  65          3HB       ALA  65  19.013   4.541   5.096
  480    H    VAL  66           H        VAL  66  16.004   3.441   2.418
  481    HA   VAL  66           HA       VAL  66  16.482   0.581   2.046
  482    HB   VAL  66           HB       VAL  66  14.442   1.666   1.154
  483   1HG1  VAL  66          1HG1      VAL  66  15.638   3.842   0.627
  484   2HG1  VAL  66          2HG1      VAL  66  16.302   3.046  -0.800
  485   3HG1  VAL  66          3HG1      VAL  66  14.558   3.264  -0.642
  486   1HG2  VAL  66          1HG2      VAL  66  15.693  -0.333   0.029
  487   2HG2  VAL  66          2HG2      VAL  66  14.416   0.479  -0.878
  488   3HG2  VAL  66          3HG2      VAL  66  16.108   0.842  -1.220
  489    H    TYR  67           H        TYR  67  17.822   3.614   0.793
  490    HA   TYR  67           HA       TYR  67  19.585   2.295  -1.105
  491   1HB   TYR  67          1HB       TYR  67  19.001   5.039  -0.245
  492   2HB   TYR  67          2HB       TYR  67  20.708   4.773  -0.596
  493    HD1  TYR  67           HD1      TYR  67  17.662   3.204  -2.104
  494    HD2  TYR  67           HD2      TYR  67  21.092   5.716  -2.714
  495    HE1  TYR  67           HE1      TYR  67  17.177   3.277  -4.536
  496    HE2  TYR  67           HE2      TYR  67  20.608   5.790  -5.145
  497    HH   TYR  67           HH       TYR  67  18.827   5.453  -6.672
  498    H    LYS  68           H        LYS  68  20.926   0.808  -0.066
  499    HA   LYS  68           HA       LYS  68  22.805   1.969   1.951
  500   1HB   LYS  68          1HB       LYS  68  20.934  -0.073   2.406
  501   2HB   LYS  68          2HB       LYS  68  22.478  -0.905   2.214
  502   1HG   LYS  68          1HG       LYS  68  23.346   1.039   3.796
  503   2HG   LYS  68          2HG       LYS  68  21.650   1.095   4.280
  504   1HD   LYS  68          1HD       LYS  68  21.870  -1.490   4.508
  505   2HD   LYS  68          2HD       LYS  68  23.606  -1.180   4.536
  506   1HE   LYS  68          1HE       LYS  68  23.265   0.416   6.413
  507   2HE   LYS  68          2HE       LYS  68  21.547   0.014   6.415
  508   1HZ   LYS  68          1HZ       LYS  68  23.128  -2.337   6.463
  509   2HZ   LYS  68          2HZ       LYS  68  23.568  -1.312   7.743
  510   3HZ   LYS  68          3HZ       LYS  68  21.957  -1.812   7.574
  511    HA   PRO  69           HA       PRO  69  25.047   0.082  -1.641
  512   1HB   PRO  69          1HB       PRO  69  26.381   2.377  -2.357
  513   2HB   PRO  69          2HB       PRO  69  24.799   1.918  -3.012
  514   1HG   PRO  69          2HG       PRO  69  25.459   4.016  -0.997
  515   2HG   PRO  69          1HG       PRO  69  24.088   3.927  -2.117
  516   1HD   PRO  69          1HD       PRO  69  24.019   3.304   0.645
  517   2HD   PRO  69          2HD       PRO  69  22.762   2.912  -0.548
  518    H    LEU  70           H        LEU  70  26.504  -1.115  -0.390
  519    HA   LEU  70           HA       LEU  70  28.946   0.300   0.491
  520   1HB   LEU  70          1HB       LEU  70  26.959  -0.340   2.349
  521   2HB   LEU  70          2HB       LEU  70  28.132  -1.648   2.502
  522    HG   LEU  70           HG       LEU  70  29.719   0.626   2.290
  523   1HD1  LEU  70          1HD1      LEU  70  27.153   1.508   3.014
  524   2HD1  LEU  70          2HD1      LEU  70  28.066   1.468   4.523
  525   3HD1  LEU  70          3HD1      LEU  70  28.658   2.416   3.159
  526   1HD2  LEU  70          1HD2      LEU  70  28.820  -1.215   4.465
  527   2HD2  LEU  70          2HD2      LEU  70  30.444  -0.923   3.842
  528   3HD2  LEU  70          3HD2      LEU  70  29.701   0.237   4.942
  529    H    SER  71           H        SER  71  28.101  -1.712  -1.581
  530    HA   SER  71           HA       SER  71  29.982  -3.896  -0.774
  531   1HB   SER  71          1HB       SER  71  28.106  -5.178  -1.043
  532   2HB   SER  71          2HB       SER  71  27.305  -3.975  -2.050
  533    HG   SER  71           HG       SER  71  29.227  -5.920  -2.750
  534    H    GLN  72           H        GLN  72  28.504  -3.087  -3.912
  535    HA   GLN  72           HA       GLN  72  30.795  -1.787  -5.019
  536   1HB   GLN  72          1HB       GLN  72  31.319  -4.453  -4.621
  537   2HB   GLN  72          2HB       GLN  72  30.712  -4.452  -6.278
  538   1HG   GLN  72          1HG       GLN  72  32.313  -2.564  -6.774
  539   2HG   GLN  72          2HG       GLN  72  33.009  -2.816  -5.173
  540   2HE2  GLN  72          2HE2      GLN  72  34.161  -4.858  -4.784
  541   1HE2  GLN  72          1HE2      GLN  72  34.686  -5.822  -6.079
  542    H    GLU  73           H        GLU  73  28.177  -1.155  -5.255
  543    HA   GLU  73           HA       GLU  73  27.246  -2.225  -7.871
  544   1HB   GLU  73          1HB       GLU  73  25.950  -0.817  -5.574
  545   2HB   GLU  73          2HB       GLU  73  25.260  -0.579  -7.180
  546   1HG   GLU  73          1HG       GLU  73  25.492  -3.210  -7.323
  547   2HG   GLU  73          2HG       GLU  73  25.471  -3.094  -5.562
  548    H    GLU  74           H        GLU  74  27.575   0.975  -6.280
  549    HA   GLU  74           HA       GLU  74  27.865   2.186  -8.982
  550   1HB   GLU  74          1HB       GLU  74  26.683   3.041  -6.501
  551   2HB   GLU  74          2HB       GLU  74  27.958   4.173  -6.955
  552   1HG   GLU  74          1HG       GLU  74  26.299   3.342  -9.227
  553   2HG   GLU  74          2HG       GLU  74  25.385   4.180  -7.972
  554    H    LEU  75           H        LEU  75  29.435   2.382  -5.765
  555    HA   LEU  75           HA       LEU  75  31.835   3.588  -6.900
  556   1HB   LEU  75          1HB       LEU  75  30.843   2.840  -4.222
  557   2HB   LEU  75          2HB       LEU  75  32.587   2.676  -4.426
  558    HG   LEU  75           HG       LEU  75  31.856   4.956  -3.633
  559   1HD1  LEU  75          1HD1      LEU  75  33.902   4.312  -5.215
  560   2HD1  LEU  75          2HD1      LEU  75  33.019   5.314  -6.366
  561   3HD1  LEU  75          3HD1      LEU  75  33.545   5.994  -4.826
  562   1HD2  LEU  75          1HD2      LEU  75  30.622   4.997  -6.404
  563   2HD2  LEU  75          2HD2      LEU  75  29.775   5.166  -4.867
  564   3HD2  LEU  75          3HD2      LEU  75  30.869   6.436  -5.415
  565    H    GLN  76           H        GLN  76  33.974   2.517  -6.805
  566    HA   GLN  76           HA       GLN  76  33.735  -0.450  -7.121
  567   1HB   GLN  76          1HB       GLN  76  34.219   0.886  -9.238
  568   2HB   GLN  76          2HB       GLN  76  35.769   1.308  -8.511
  569   1HG   GLN  76          1HG       GLN  76  35.969  -1.292  -8.134
  570   2HG   GLN  76          2HG       GLN  76  34.779  -1.371  -9.433
  571   2HE2  GLN  76          2HE2      GLN  76  37.484  -2.327  -9.761
  572   1HE2  GLN  76          1HE2      GLN  76  38.253  -1.335 -10.904
  573    H    ARG  77           H        ARG  77  35.970   2.195  -6.238
  574    HA   ARG  77           HA       ARG  77  36.909   0.753  -3.916
  575   1HB   ARG  77          1HB       ARG  77  38.306   0.370  -6.465
  576   2HB   ARG  77          2HB       ARG  77  39.365   0.967  -5.186
  577   1HG   ARG  77          1HG       ARG  77  37.539  -1.132  -4.264
  578   2HG   ARG  77          2HG       ARG  77  38.619  -1.677  -5.548
  579   1HD   ARG  77          1HD       ARG  77  39.783  -0.056  -3.320
  580   2HD   ARG  77          2HD       ARG  77  39.384  -1.743  -3.002
  581    HE   ARG  77           HE       ARG  77  40.867  -1.548  -5.451
  582   1HH1  ARG  77          1HH1      ARG  77  42.022   0.121  -2.959
  583   2HH1  ARG  77          2HH1      ARG  77  43.296  -0.962  -2.506
  584   1HH2  ARG  77          1HH2      ARG  77  42.141  -3.569  -4.479
  585   2HH2  ARG  77          2HH2      ARG  77  43.364  -3.051  -3.367
  586    H    ILE  78           H        ILE  78  37.503   3.305  -6.303
  587    HA   ILE  78           HA       ILE  78  38.262   5.090  -4.032
  588    HB   ILE  78           HB       ILE  78  40.349   4.623  -5.108
  589   1HG1  ILE  78          1HG1      ILE  78  40.993   6.800  -5.914
  590   2HG1  ILE  78          2HG1      ILE  78  39.336   7.175  -6.391
  591   1HG2  ILE  78          1HG2      ILE  78  38.653   4.707  -7.554
  592   2HG2  ILE  78          2HG2      ILE  78  40.316   5.275  -7.720
  593   3HG2  ILE  78          3HG2      ILE  78  39.995   3.636  -7.151
  594   1HD1  ILE  78          1HD1      ILE  78  39.797   6.438  -3.539
  595   2HD1  ILE  78          2HD1      ILE  78  40.361   8.024  -4.064
  596   3HD1  ILE  78          3HD1      ILE  78  38.658   7.593  -4.231

  No H/Q in entry =         596
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -32.403   7.058  -4.683
    2    H2   MET   1           H2       MET   1 -33.518   8.322  -4.897
    3    H3   MET   1           H3       MET   1 -31.893   8.533  -5.349
    4    HA   MET   1           HA       MET   1 -31.165   8.484  -3.099
    5   1HB   MET   1          1HB       MET   1 -33.365  10.300  -3.931
    6   2HB   MET   1          2HB       MET   1 -32.974  10.292  -2.210
    7   1HG   MET   1          1HG       MET   1 -31.314  11.735  -2.745
    8   2HG   MET   1          2HG       MET   1 -30.477  10.327  -3.398
    9   1HE   MET   1          1HE       MET   1 -29.744   9.986  -5.157
   10   2HE   MET   1          2HE       MET   1 -30.688   9.964  -6.654
   11   3HE   MET   1          3HE       MET   1 -29.478  11.218  -6.389
   12    H    SER   2           H        SER   2 -31.840   8.397  -0.777
   13    HA   SER   2           HA       SER   2 -32.799   7.129   0.956
   14   1HB   SER   2          1HB       SER   2 -35.266   7.764  -0.689
   15   2HB   SER   2          2HB       SER   2 -35.295   7.134   0.955
   16    HG   SER   2           HG       SER   2 -34.478   9.641  -0.010
   17    H    ARG   3           H        ARG   3 -34.739   5.234   1.103
   18    HA   ARG   3           HA       ARG   3 -35.280   3.019   0.519
   19   1HB   ARG   3          2HB       ARG   3 -33.979   3.447  -2.164
   20   2HB   ARG   3          1HB       ARG   3 -35.361   2.428  -1.756
   21   1HG   ARG   3          1HG       ARG   3 -36.044   5.082  -1.007
   22   2HG   ARG   3          2HG       ARG   3 -35.358   5.165  -2.631
   23   1HD   ARG   3          1HD       ARG   3 -37.618   4.711  -3.062
   24   2HD   ARG   3          2HD       ARG   3 -36.891   3.106  -3.116
   25    HE   ARG   3           HE       ARG   3 -37.703   2.826  -0.738
   26   1HH1  ARG   3          1HH1      ARG   3 -38.502   5.833  -0.684
   27   2HH1  ARG   3          2HH1      ARG   3 -40.227   5.688  -0.764
   28   1HH2  ARG   3          1HH2      ARG   3 -40.166   2.364  -1.752
   29   2HH2  ARG   3          2HH2      ARG   3 -41.169   3.725  -1.373
   30    H    SER   4           H        SER   4 -34.029   1.532   1.544
   31    HA   SER   4           HA       SER   4 -31.646   0.460   0.406
   32   1HB   SER   4          1HB       SER   4 -31.310   2.691   2.371
   33   2HB   SER   4          2HB       SER   4 -30.183   1.340   2.437
   34    HG   SER   4           HG       SER   4 -29.389   1.901   0.544
   35    HA   PRO   5           HA       PRO   5 -33.431  -2.212   3.586
   36   1HB   PRO   5          1HB       PRO   5 -32.705  -4.538   2.310
   37   2HB   PRO   5          2HB       PRO   5 -34.179  -3.630   1.930
   38   1HG   PRO   5          2HG       PRO   5 -31.629  -3.800   0.387
   39   2HG   PRO   5          1HG       PRO   5 -33.275  -3.496  -0.194
   40   1HD   PRO   5          1HD       PRO   5 -31.279  -1.536   0.176
   41   2HD   PRO   5          2HD       PRO   5 -33.015  -1.222  -0.032
   42    H    ASP   6           H        ASP   6 -30.214  -2.177   2.171
   43    HA   ASP   6           HA       ASP   6 -29.154  -3.443   4.666
   44   1HB   ASP   6          1HB       ASP   6 -28.652  -4.022   1.898
   45   2HB   ASP   6          2HB       ASP   6 -27.166  -3.416   2.628
   46    H    ALA   7           H        ALA   7 -26.494  -2.679   4.403
   47    HA   ALA   7           HA       ALA   7 -26.553   0.289   4.172
   48   1HB   ALA   7          1HB       ALA   7 -26.346   0.591   6.392
   49   2HB   ALA   7          2HB       ALA   7 -24.905  -0.428   6.401
   50   3HB   ALA   7          3HB       ALA   7 -26.497  -1.150   6.634
   51    H    LYS   8           H        LYS   8 -25.227  -2.412   3.054
   52    HA   LYS   8           HA       LYS   8 -22.398  -1.540   3.205
   53   1HB   LYS   8          1HB       LYS   8 -23.653  -3.986   1.919
   54   2HB   LYS   8          2HB       LYS   8 -21.922  -3.678   2.058
   55   1HG   LYS   8          1HG       LYS   8 -22.160  -3.602   4.535
   56   2HG   LYS   8          2HG       LYS   8 -23.869  -4.004   4.361
   57   1HD   LYS   8          1HD       LYS   8 -22.935  -6.020   2.933
   58   2HD   LYS   8          2HD       LYS   8 -21.460  -5.717   3.852
   59   1HE   LYS   8          1HE       LYS   8 -24.042  -5.845   5.353
   60   2HE   LYS   8          2HE       LYS   8 -23.342  -7.358   4.779
   61   1HZ   LYS   8          1HZ       LYS   8 -21.192  -6.202   5.803
   62   2HZ   LYS   8          2HZ       LYS   8 -22.372  -5.513   6.807
   63   3HZ   LYS   8          3HZ       LYS   8 -22.222  -7.202   6.711
   64    H    GLU   9           H        GLU   9 -21.396  -2.235   0.775
   65    HA   GLU   9           HA       GLU   9 -21.235  -1.578  -1.476
   66   1HB   GLU   9          1HB       GLU   9 -23.966  -2.053  -1.101
   67   2HB   GLU   9          2HB       GLU   9 -23.895  -0.435  -1.799
   68   1HG   GLU   9          1HG       GLU   9 -22.383  -2.797  -2.940
   69   2HG   GLU   9          2HG       GLU   9 -23.986  -2.317  -3.495
   70    H    ASP  10           H        ASP  10 -19.836   0.150  -1.048
   71    HA   ASP  10           HA       ASP  10 -20.457   2.715  -1.831
   72   1HB   ASP  10          1HB       ASP  10 -21.538   2.163   0.829
   73   2HB   ASP  10          2HB       ASP  10 -20.444   3.547   0.828
   74    HA   PRO  11           HA       PRO  11 -16.532   2.894   0.884
   75   1HB   PRO  11          1HB       PRO  11 -16.095   0.815   2.631
   76   2HB   PRO  11          2HB       PRO  11 -16.992   2.281   3.062
   77   1HG   PRO  11          2HG       PRO  11 -18.030  -0.457   2.497
   78   2HG   PRO  11          1HG       PRO  11 -18.732   0.825   3.499
   79   1HD   PRO  11          1HD       PRO  11 -19.548   0.138   0.878
   80   2HD   PRO  11          2HD       PRO  11 -19.999   1.609   1.765
   81    H    VAL  12           H        VAL  12 -14.516   2.185   0.090
   82    HA   VAL  12           HA       VAL  12 -14.424   0.280  -2.004
   83    HB   VAL  12           HB       VAL  12 -12.017   0.911  -0.302
   84   1HG1  VAL  12          1HG1      VAL  12 -12.599   0.242  -3.176
   85   2HG1  VAL  12          2HG1      VAL  12 -11.134   1.133  -2.763
   86   3HG1  VAL  12          3HG1      VAL  12 -11.409  -0.474  -2.088
   87   1HG2  VAL  12          1HG2      VAL  12 -13.750   2.764  -1.851
   88   2HG2  VAL  12          2HG2      VAL  12 -12.672   3.101  -0.497
   89   3HG2  VAL  12          3HG2      VAL  12 -12.015   2.918  -2.123
   90    H    GLU  13           H        GLU  13 -13.154  -1.791  -1.994
   91    HA   GLU  13           HA       GLU  13 -13.060  -3.165   0.637
   92   1HB   GLU  13          1HB       GLU  13 -14.831  -3.881  -1.677
   93   2HB   GLU  13          2HB       GLU  13 -14.146  -5.176  -0.697
   94   1HG   GLU  13          1HG       GLU  13 -15.611  -4.777   0.965
   95   2HG   GLU  13          2HG       GLU  13 -15.171  -3.068   1.002
   96    H    CYS  14           H        CYS  14 -11.318  -4.566   0.741
   97    HA   CYS  14           HA       CYS  14  -9.177  -4.486  -1.001
   98   1HB   CYS  14          1HB       CYS  14  -9.477  -5.761   1.271
   99   2HB   CYS  14          2HB       CYS  14  -9.897  -7.129   0.238
  100    HA   PRO  15           HA       PRO  15 -11.223  -6.466  -4.507
  101   1HB   PRO  15          1HB       PRO  15  -9.509  -5.393  -6.368
  102   2HB   PRO  15          2HB       PRO  15 -10.906  -4.522  -5.710
  103   1HG   PRO  15          2HG       PRO  15  -8.010  -4.142  -5.116
  104   2HG   PRO  15          1HG       PRO  15  -9.342  -2.980  -4.998
  105   1HD   PRO  15          1HD       PRO  15  -8.144  -4.375  -2.835
  106   2HD   PRO  15          2HD       PRO  15  -9.657  -3.445  -2.777
  107    H    LEU  16           H        LEU  16  -8.578  -7.305  -2.859
  108    HA   LEU  16           HA       LEU  16  -7.596  -9.160  -4.986
  109   1HB   LEU  16          2HB       LEU  16  -6.004  -8.264  -2.574
  110   2HB   LEU  16          1HB       LEU  16  -5.412  -9.060  -4.033
  111    HG   LEU  16           HG       LEU  16  -6.855  -6.582  -4.618
  112   1HD1  LEU  16          1HD1      LEU  16  -5.624  -6.246  -2.310
  113   2HD1  LEU  16          2HD1      LEU  16  -4.184  -6.166  -3.325
  114   3HD1  LEU  16          3HD1      LEU  16  -5.498  -5.016  -3.567
  115   1HD2  LEU  16          1HD2      LEU  16  -5.428  -7.859  -6.205
  116   2HD2  LEU  16          2HD2      LEU  16  -4.875  -6.196  -6.011
  117   3HD2  LEU  16          3HD2      LEU  16  -4.025  -7.508  -5.196
  118    H    CYS  17           H        CYS  17  -8.888  -8.828  -1.778
  119    HA   CYS  17           HA       CYS  17  -8.920 -11.797  -1.574
  120   1HB   CYS  17          1HB       CYS  17  -8.059 -11.858   0.595
  121   2HB   CYS  17          2HB       CYS  17  -7.094 -10.572  -0.122
  122    H    MET  18           H        MET  18 -10.696  -9.117  -1.858
  123    HA   MET  18           HA       MET  18 -12.925  -8.599  -1.424
  124   1HB   MET  18          1HB       MET  18 -12.744 -11.471  -1.471
  125   2HB   MET  18          2HB       MET  18 -13.917 -10.981  -0.247
  126   1HG   MET  18          1HG       MET  18 -15.313  -9.964  -1.790
  127   2HG   MET  18          2HG       MET  18 -13.994  -9.611  -2.906
  128   1HE   MET  18          1HE       MET  18 -16.830 -11.154  -2.118
  129   2HE   MET  18          2HE       MET  18 -17.059 -11.464  -3.838
  130   3HE   MET  18          3HE       MET  18 -16.938 -12.814  -2.701
  131    H    GLU  19           H        GLU  19 -13.066  -7.182   0.252
  132    HA   GLU  19           HA       GLU  19 -13.793  -8.058   2.882
  133   1HB   GLU  19          1HB       GLU  19 -10.960  -7.887   2.355
  134   2HB   GLU  19          2HB       GLU  19 -11.417  -6.664   3.539
  135   1HG   GLU  19          1HG       GLU  19 -12.348  -8.287   5.011
  136   2HG   GLU  19          2HG       GLU  19 -12.334  -9.535   3.765
  137    HA   PRO  20           HA       PRO  20 -15.156  -3.865   2.706
  138   1HB   PRO  20          1HB       PRO  20 -16.097  -3.694   5.280
  139   2HB   PRO  20          2HB       PRO  20 -16.945  -4.552   3.981
  140   1HG   PRO  20          2HG       PRO  20 -15.404  -5.671   6.273
  141   2HG   PRO  20          1HG       PRO  20 -16.731  -6.398   5.354
  142   1HD   PRO  20          1HD       PRO  20 -13.976  -6.991   5.049
  143   2HD   PRO  20          2HD       PRO  20 -15.279  -7.466   3.938
  144    H    LEU  21           H        LEU  21 -13.820  -2.099   2.816
  145    HA   LEU  21           HA       LEU  21 -11.759  -1.963   4.937
  146   1HB   LEU  21          1HB       LEU  21 -12.270  -0.200   2.520
  147   2HB   LEU  21          2HB       LEU  21 -10.913  -0.023   3.631
  148    HG   LEU  21           HG       LEU  21 -11.288  -2.744   2.534
  149   1HD1  LEU  21          1HD1      LEU  21 -10.650  -0.345   0.816
  150   2HD1  LEU  21          2HD1      LEU  21 -10.024  -1.945   0.419
  151   3HD1  LEU  21          3HD1      LEU  21 -11.764  -1.669   0.481
  152   1HD2  LEU  21          1HD2      LEU  21  -8.976  -0.825   2.940
  153   2HD2  LEU  21          2HD2      LEU  21  -9.376  -2.236   3.922
  154   3HD2  LEU  21          3HD2      LEU  21  -8.788  -2.448   2.272
  155    H    GLU  22           H        GLU  22 -11.929  -0.576   6.664
  156    HA   GLU  22           HA       GLU  22 -14.420   0.795   7.164
  157   1HB   GLU  22          2HB       GLU  22 -11.733   1.110   8.541
  158   2HB   GLU  22          1HB       GLU  22 -13.284   1.669   9.170
  159   1HG   GLU  22          1HG       GLU  22 -13.809  -0.976   8.589
  160   2HG   GLU  22          2HG       GLU  22 -12.139  -1.039   9.155
  161    H    ILE  23           H        ILE  23 -13.441   3.282   8.234
  162    HA   ILE  23           HA       ILE  23 -13.280   4.795   5.725
  163    HB   ILE  23           HB       ILE  23 -13.475   5.577   8.640
  164   1HG1  ILE  23          1HG1      ILE  23 -15.508   4.755   7.436
  165   2HG1  ILE  23          2HG1      ILE  23 -15.653   6.437   7.948
  166   1HG2  ILE  23          1HG2      ILE  23 -13.184   7.377   6.215
  167   2HG2  ILE  23          2HG2      ILE  23 -13.641   7.928   7.828
  168   3HG2  ILE  23          3HG2      ILE  23 -12.043   7.233   7.553
  169   1HD1  ILE  23          1HD1      ILE  23 -14.776   7.057   5.616
  170   2HD1  ILE  23          2HD1      ILE  23 -15.090   5.378   5.175
  171   3HD1  ILE  23          3HD1      ILE  23 -16.417   6.415   5.697
  172    H    ASP  24           H        ASP  24 -11.243   4.390   8.632
  173    HA   ASP  24           HA       ASP  24  -9.051   5.919   7.464
  174   1HB   ASP  24          1HB       ASP  24  -9.733   5.056  10.036
  175   2HB   ASP  24          2HB       ASP  24  -8.286   4.129   9.633
  176    H    ASP  25           H        ASP  25 -10.214   2.789   6.979
  177    HA   ASP  25           HA       ASP  25  -7.572   1.573   6.503
  178   1HB   ASP  25          1HB       ASP  25 -10.418   0.598   6.259
  179   2HB   ASP  25          2HB       ASP  25  -9.065  -0.345   5.633
  180    H    ILE  26           H        ILE  26 -10.196   3.021   4.657
  181    HA   ILE  26           HA       ILE  26  -9.703   2.086   2.081
  182    HB   ILE  26           HB       ILE  26 -10.346   4.906   2.989
  183   1HG1  ILE  26          1HG1      ILE  26 -12.024   2.611   1.924
  184   2HG1  ILE  26          2HG1      ILE  26 -12.041   3.245   3.569
  185   1HG2  ILE  26          1HG2      ILE  26  -9.346   4.922   0.729
  186   2HG2  ILE  26          2HG2      ILE  26 -10.500   3.692   0.214
  187   3HG2  ILE  26          3HG2      ILE  26 -11.068   5.299   0.665
  188   1HD1  ILE  26          1HD1      ILE  26 -12.489   5.523   2.136
  189   2HD1  ILE  26          2HD1      ILE  26 -13.296   4.326   1.123
  190   3HD1  ILE  26          3HD1      ILE  26 -13.770   4.515   2.810
  191    H    ASN  27           H        ASN  27  -7.879   4.583   3.850
  192    HA   ASN  27           HA       ASN  27  -6.002   4.889   1.589
  193   1HB   ASN  27          1HB       ASN  27  -6.805   6.754   3.225
  194   2HB   ASN  27          2HB       ASN  27  -5.617   6.068   4.334
  195   2HD2  ASN  27          2HD2      ASN  27  -5.930   7.466   1.044
  196   1HD2  ASN  27          1HD2      ASN  27  -4.316   7.982   0.942
  197    H    PHE  28           H        PHE  28  -5.762   2.339   2.118
  198    HA   PHE  28           HA       PHE  28  -3.344   2.114   3.866
  199   1HB   PHE  28          1HB       PHE  28  -5.564   0.975   4.643
  200   2HB   PHE  28          2HB       PHE  28  -5.209  -0.197   3.374
  201    HD1  PHE  28           HD1      PHE  28  -2.466  -0.733   3.355
  202    HD2  PHE  28           HD2      PHE  28  -4.893   0.276   6.753
  203    HE1  PHE  28           HE1      PHE  28  -0.839  -1.856   4.849
  204    HE2  PHE  28           HE2      PHE  28  -3.266  -0.848   8.249
  205    HZ   PHE  28           HZ       PHE  28  -1.238  -1.914   7.297
  206    H    PHE  29           H        PHE  29  -2.295   2.620   1.694
  207    HA   PHE  29           HA       PHE  29  -2.212   0.182  -0.030
  208   1HB   PHE  29          1HB       PHE  29  -1.016   1.882  -1.630
  209   2HB   PHE  29          2HB       PHE  29  -2.772   1.941  -1.475
  210    HD1  PHE  29           HD1      PHE  29   0.380   3.426  -0.091
  211    HD2  PHE  29           HD2      PHE  29  -3.843   3.892  -0.748
  212    HE1  PHE  29           HE1      PHE  29   0.510   5.765   0.724
  213    HE2  PHE  29           HE2      PHE  29  -3.715   6.225   0.073
  214    HZ   PHE  29           HZ       PHE  29  -1.536   7.167   0.804
  215    HA   PRO  30           HA       PRO  30   1.909  -0.262   1.545
  216   1HB   PRO  30          1HB       PRO  30   2.606  -2.387  -0.053
  217   2HB   PRO  30          2HB       PRO  30   1.582  -2.544   1.385
  218   1HG   PRO  30          2HG       PRO  30   0.802  -2.638  -1.490
  219   2HG   PRO  30          1HG       PRO  30   0.010  -3.373  -0.087
  220   1HD   PRO  30          1HD       PRO  30  -0.810  -1.001  -1.405
  221   2HD   PRO  30          2HD       PRO  30  -1.392  -1.580   0.172
  222    H    CYS  31           H        CYS  31   0.945   0.817  -1.484
  223    HA   CYS  31           HA       CYS  31   3.735   1.600  -2.155
  224   1HB   CYS  31          1HB       CYS  31   3.164  -0.403  -3.509
  225   2HB   CYS  31          2HB       CYS  31   1.752   0.444  -4.141
  226    H    THR  32           H        THR  32   3.811   3.530  -3.510
  227    HA   THR  32           HA       THR  32   1.475   5.277  -3.041
  228    HB   THR  32           HB       THR  32   3.800   6.055  -2.531
  229    HG1  THR  32           HG1      THR  32   3.497   7.968  -4.117
  230   1HG2  THR  32          1HG2      THR  32   4.437   4.866  -4.917
  231   2HG2  THR  32          2HG2      THR  32   4.389   6.571  -5.369
  232   3HG2  THR  32          3HG2      THR  32   5.460   6.032  -4.076
  233    H    CYS  33           H        CYS  33   0.790   3.374  -4.903
  234    HA   CYS  33           HA       CYS  33   0.699   5.005  -7.399
  235   1HB   CYS  33          1HB       CYS  33   1.042   3.073  -8.780
  236   2HB   CYS  33          2HB       CYS  33   2.331   3.067  -7.578
  237    H    GLY  34           H        GLY  34  -1.081   3.997  -4.955
  238   1HA   GLY  34          2HA       GLY  34  -3.500   3.700  -6.656
  239   2HA   GLY  34          1HA       GLY  34  -3.493   4.180  -4.956
  240    H    TYR  35           H        TYR  35  -2.328   1.354  -6.858
  241    HA   TYR  35           HA       TYR  35  -4.061  -0.589  -5.942
  242   1HB   TYR  35          1HB       TYR  35  -2.462  -1.356  -7.473
  243   2HB   TYR  35          2HB       TYR  35  -1.118  -0.668  -6.567
  244    HD1  TYR  35           HD1      TYR  35  -3.841  -3.238  -6.199
  245    HD2  TYR  35           HD2      TYR  35   0.183  -2.073  -5.242
  246    HE1  TYR  35           HE1      TYR  35  -3.479  -5.411  -5.061
  247    HE2  TYR  35           HE2      TYR  35   0.541  -4.245  -4.104
  248    HH   TYR  35           HH       TYR  35  -1.705  -6.855  -4.376
  249    H    GLN  36           H        GLN  36  -4.783  -0.654  -3.845
  250    HA   GLN  36           HA       GLN  36  -2.708  -0.737  -1.690
  251   1HB   GLN  36          1HB       GLN  36  -5.264  -0.317  -0.519
  252   2HB   GLN  36          2HB       GLN  36  -3.914   0.805  -0.571
  253   1HG   GLN  36          1HG       GLN  36  -4.760   1.951  -2.402
  254   2HG   GLN  36          2HG       GLN  36  -5.685   0.566  -2.980
  255   2HE2  GLN  36          2HE2      GLN  36  -7.010   3.030  -2.723
  256   1HE2  GLN  36          1HE2      GLN  36  -8.086   2.961  -1.413
  257    H    ILE  37           H        ILE  37  -3.839  -1.901   0.342
  258    HA   ILE  37           HA       ILE  37  -5.425  -4.238  -0.514
  259    HB   ILE  37           HB       ILE  37  -3.664  -5.638   0.887
  260   1HG1  ILE  37          1HG1      ILE  37  -1.841  -3.595  -0.389
  261   2HG1  ILE  37          2HG1      ILE  37  -2.353  -3.447   1.292
  262   1HG2  ILE  37          1HG2      ILE  37  -3.585  -4.783  -1.995
  263   2HG2  ILE  37          2HG2      ILE  37  -2.355  -5.885  -1.374
  264   3HG2  ILE  37          3HG2      ILE  37  -4.058  -6.338  -1.310
  265   1HD1  ILE  37          1HD1      ILE  37  -1.593  -5.993   1.384
  266   2HD1  ILE  37          2HD1      ILE  37  -0.589  -5.502   0.021
  267   3HD1  ILE  37          3HD1      ILE  37  -0.421  -4.691   1.578
  268    H    CYS  38           H        CYS  38  -5.937  -5.590   1.554
  269    HA   CYS  38           HA       CYS  38  -6.787  -3.675   3.605
  270   1HB   CYS  38          2HB       CYS  38  -8.088  -5.477   4.512
  271   2HB   CYS  38          1HB       CYS  38  -8.225  -5.592   2.758
  272    H    ARG  39           H        ARG  39  -6.463  -4.452   5.988
  273    HA   ARG  39           HA       ARG  39  -3.677  -4.394   6.559
  274   1HB   ARG  39          1HB       ARG  39  -6.095  -5.096   8.224
  275   2HB   ARG  39          2HB       ARG  39  -4.464  -5.117   8.899
  276   1HG   ARG  39          1HG       ARG  39  -4.587  -2.701   7.511
  277   2HG   ARG  39          2HG       ARG  39  -6.173  -2.837   8.274
  278   1HD   ARG  39          2HD       ARG  39  -3.486  -3.049   9.663
  279   2HD   ARG  39          1HD       ARG  39  -4.643  -1.727   9.814
  280    HE   ARG  39           HE       ARG  39  -5.936  -4.177  10.521
  281   1HH1  ARG  39          1HH1      ARG  39  -2.979  -3.020  11.612
  282   2HH1  ARG  39          2HH1      ARG  39  -3.449  -2.879  13.273
  283   1HH2  ARG  39          1HH2      ARG  39  -6.796  -3.545  12.661
  284   2HH2  ARG  39          2HH2      ARG  39  -5.609  -3.174  13.867
  285    H    PHE  40           H        PHE  40  -5.880  -7.090   6.086
  286    HA   PHE  40           HA       PHE  40  -4.027  -9.074   7.158
  287   1HB   PHE  40          1HB       PHE  40  -6.551  -9.335   7.036
  288   2HB   PHE  40          2HB       PHE  40  -6.368  -9.548   5.295
  289    HD1  PHE  40           HD1      PHE  40  -4.274 -10.735   8.171
  290    HD2  PHE  40           HD2      PHE  40  -6.725 -11.808   4.809
  291    HE1  PHE  40           HE1      PHE  40  -3.709 -13.125   8.522
  292    HE2  PHE  40           HE2      PHE  40  -6.160 -14.198   5.160
  293    HZ   PHE  40           HZ       PHE  40  -4.651 -14.855   7.016
  294    H    CYS  41           H        CYS  41  -4.441  -7.442   4.145
  295    HA   CYS  41           HA       CYS  41  -2.956  -9.497   2.627
  296   1HB   CYS  41          1HB       CYS  41  -4.436  -6.982   1.961
  297   2HB   CYS  41          2HB       CYS  41  -3.183  -7.529   0.848
  298    H    TRP  42           H        TRP  42  -2.416  -6.413   4.194
  299    HA   TRP  42           HA       TRP  42   0.176  -5.988   2.885
  300   1HB   TRP  42          1HB       TRP  42  -1.219  -4.071   3.596
  301   2HB   TRP  42          2HB       TRP  42  -1.073  -4.596   5.274
  302    HD1  TRP  42           HD1      TRP  42   1.495  -4.082   2.416
  303    HE1  TRP  42           HE1      TRP  42   3.472  -2.721   3.359
  304    HE3  TRP  42           HE3      TRP  42  -0.109  -3.409   7.214
  305    HZ2  TRP  42           HZ2      TRP  42   4.268  -1.509   5.827
  306    HZ3  TRP  42           HZ3      TRP  42   1.275  -2.151   8.840
  307    HH2  TRP  42           HH2      TRP  42   3.461  -1.202   8.153
  308    H    HIS  43           H        HIS  43  -0.885  -6.668   6.238
  309    HA   HIS  43           HA       HIS  43   1.658  -7.017   7.385
  310   1HB   HIS  43          1HB       HIS  43  -1.067  -8.103   7.973
  311   2HB   HIS  43          2HB       HIS  43   0.310  -8.820   8.808
  312    HD1  HIS  43           HD1      HIS  43   2.080  -6.511   9.445
  313    HD2  HIS  43           HD2      HIS  43  -2.069  -6.205   9.709
  314    HE1  HIS  43           HE1      HIS  43   1.601  -4.579  11.012
  315    H    ARG  44           H        ARG  44   0.053  -8.986   5.051
  316    HA   ARG  44           HA       ARG  44   1.582 -11.411   5.676
  317   1HB   ARG  44          1HB       ARG  44  -0.686 -11.587   4.738
  318   2HB   ARG  44          2HB       ARG  44  -0.163 -10.713   3.298
  319   1HG   ARG  44          1HG       ARG  44   1.420 -12.485   2.747
  320   2HG   ARG  44          2HG       ARG  44   1.018 -13.342   4.236
  321   1HD   ARG  44          1HD       ARG  44  -0.175 -14.282   2.266
  322   2HD   ARG  44          2HD       ARG  44  -1.288 -13.641   3.474
  323    HE   ARG  44           HE       ARG  44  -0.765 -11.546   1.656
  324   1HH1  ARG  44          1HH1      ARG  44  -1.762 -14.811   1.345
  325   2HH1  ARG  44          2HH1      ARG  44  -3.037 -14.464   0.225
  326   1HH2  ARG  44          1HH2      ARG  44  -2.573 -11.029   0.358
  327   2HH2  ARG  44          2HH2      ARG  44  -3.495 -12.321  -0.337
  328    H    ILE  45           H        ILE  45   1.448  -9.193   2.854
  329    HA   ILE  45           HA       ILE  45   3.640 -10.261   1.451
  330    HB   ILE  45           HB       ILE  45   2.747  -7.371   1.648
  331   1HG1  ILE  45          1HG1      ILE  45   2.222  -9.235  -0.648
  332   2HG1  ILE  45          2HG1      ILE  45   1.206  -9.335   0.790
  333   1HG2  ILE  45          1HG2      ILE  45   5.136  -8.193   0.646
  334   2HG2  ILE  45          2HG2      ILE  45   4.111  -8.409  -0.772
  335   3HG2  ILE  45          3HG2      ILE  45   4.231  -6.828  -0.004
  336   1HD1  ILE  45          1HD1      ILE  45   1.696  -6.596  -0.204
  337   2HD1  ILE  45          2HD1      ILE  45   0.739  -7.618  -1.276
  338   3HD1  ILE  45          3HD1      ILE  45   0.204  -7.330   0.381
  339    H    ARG  46           H        ARG  46   3.747  -7.435   3.658
  340    HA   ARG  46           HA       ARG  46   6.549  -7.126   3.660
  341   1HB   ARG  46          1HB       ARG  46   4.468  -6.552   5.778
  342   2HB   ARG  46          2HB       ARG  46   6.168  -6.129   5.989
  343   1HG   ARG  46          1HG       ARG  46   5.369  -5.262   3.388
  344   2HG   ARG  46          2HG       ARG  46   4.163  -4.694   4.544
  345   1HD   ARG  46          2HD       ARG  46   5.691  -2.981   4.756
  346   2HD   ARG  46          1HD       ARG  46   6.358  -4.094   5.951
  347    HE   ARG  46           HE       ARG  46   7.506  -4.698   3.410
  348   1HH1  ARG  46          1HH1      ARG  46   7.591  -2.555   6.098
  349   2HH1  ARG  46          2HH1      ARG  46   9.116  -1.856   5.669
  350   1HH2  ARG  46          1HH2      ARG  46   9.422  -3.669   2.729
  351   2HH2  ARG  46          2HH2      ARG  46  10.152  -2.486   3.762
  352    H    THR  47           H        THR  47   4.571  -9.518   5.263
  353    HA   THR  47           HA       THR  47   7.065 -10.621   6.496
  354    HB   THR  47           HB       THR  47   5.961 -11.122   8.474
  355    HG1  THR  47           HG1      THR  47   4.244 -12.267   7.980
  356   1HG2  THR  47          1HG2      THR  47   4.552  -8.698   7.336
  357   2HG2  THR  47          2HG2      THR  47   4.436  -9.186   9.026
  358   3HG2  THR  47          3HG2      THR  47   5.996  -8.718   8.348
  359    H    ASP  48           H        ASP  48   6.023 -11.259   3.877
  360    HA   ASP  48           HA       ASP  48   6.088 -14.112   4.001
  361   1HB   ASP  48          1HB       ASP  48   3.620 -13.187   4.762
  362   2HB   ASP  48          2HB       ASP  48   3.391 -13.422   3.028
  363    H    GLU  49           H        GLU  49   4.041 -12.009   1.965
  364    HA   GLU  49           HA       GLU  49   5.168 -13.102  -0.465
  365   1HB   GLU  49          1HB       GLU  49   2.873 -11.738   0.141
  366   2HB   GLU  49          2HB       GLU  49   3.824 -10.480  -0.651
  367   1HG   GLU  49          2HG       GLU  49   2.791 -11.481  -2.484
  368   2HG   GLU  49          1HG       GLU  49   4.311 -12.375  -2.417
  369    H    ASN  50           H        ASN  50   5.323 -10.477  -1.862
  370    HA   ASN  50           HA       ASN  50   8.070  -9.758  -0.945
  371   1HB   ASN  50          1HB       ASN  50   6.745  -9.960  -3.591
  372   2HB   ASN  50          2HB       ASN  50   7.860  -8.607  -3.395
  373   2HD2  ASN  50          2HD2      ASN  50   9.569  -9.507  -4.697
  374   1HD2  ASN  50          1HD2      ASN  50  10.428 -10.896  -4.234
  375    H    GLY  51           H        GLY  51   8.253  -7.852   0.100
  376   1HA   GLY  51          2HA       GLY  51   7.880  -5.626   0.730
  377   2HA   GLY  51          1HA       GLY  51   6.170  -6.006   0.537
  378    H    LEU  52           H        LEU  52   8.002  -6.470  -2.330
  379    HA   LEU  52           HA       LEU  52   7.929  -3.755  -3.307
  380   1HB   LEU  52          1HB       LEU  52   8.201  -6.433  -4.696
  381   2HB   LEU  52          2HB       LEU  52   8.224  -4.903  -5.572
  382    HG   LEU  52           HG       LEU  52  10.187  -5.893  -3.499
  383   1HD1  LEU  52          1HD1      LEU  52  10.370  -4.925  -6.366
  384   2HD1  LEU  52          2HD1      LEU  52  11.781  -5.223  -5.348
  385   3HD1  LEU  52          3HD1      LEU  52  10.697  -6.551  -5.765
  386   1HD2  LEU  52          1HD2      LEU  52   9.714  -3.080  -4.522
  387   2HD2  LEU  52          2HD2      LEU  52   9.759  -3.622  -2.844
  388   3HD2  LEU  52          3HD2      LEU  52  11.242  -3.588  -3.799
  389    H    CYS  53           H        CYS  53   6.628  -3.258  -5.360
  390    HA   CYS  53           HA       CYS  53   3.791  -3.831  -4.792
  391   1HB   CYS  53          1HB       CYS  53   4.637  -1.502  -5.255
  392   2HB   CYS  53          2HB       CYS  53   4.980  -2.016  -6.905
  393    HA   PRO  54           HA       PRO  54   4.001  -6.891  -8.067
  394   1HB   PRO  54          1HB       PRO  54   1.509  -7.933  -7.562
  395   2HB   PRO  54          2HB       PRO  54   2.953  -8.362  -6.630
  396   1HG   PRO  54          2HG       PRO  54   0.672  -6.603  -5.853
  397   2HG   PRO  54          1HG       PRO  54   1.761  -7.547  -4.823
  398   1HD   PRO  54          1HD       PRO  54   1.913  -4.757  -5.284
  399   2HD   PRO  54          2HD       PRO  54   3.169  -5.762  -4.530
  400    H    ALA  55           H        ALA  55   2.435  -4.012  -7.998
  401    HA   ALA  55           HA       ALA  55   0.871  -4.637 -10.471
  402   1HB   ALA  55          1HB       ALA  55  -0.125  -3.603  -8.120
  403   2HB   ALA  55          3HB       ALA  55   0.168  -2.150  -9.077
  404   3HB   ALA  55          2HB       ALA  55  -0.879  -3.424  -9.704
  405    H    CYS  56           H        CYS  56   3.093  -2.344  -8.916
  406    HA   CYS  56           HA       CYS  56   3.557  -1.207 -11.637
  407   1HB   CYS  56          1HB       CYS  56   3.466   0.985 -10.885
  408   2HB   CYS  56          2HB       CYS  56   2.247   0.241  -9.856
  409    H    ARG  57           H        ARG  57   4.907  -2.928  -9.174
  410    HA   ARG  57           HA       ARG  57   7.135  -3.491  -8.685
  411   1HB   ARG  57          2HB       ARG  57   7.730  -1.848 -11.165
  412   2HB   ARG  57          1HB       ARG  57   8.825  -2.992 -10.390
  413   1HG   ARG  57          1HG       ARG  57   6.309  -4.294 -10.862
  414   2HG   ARG  57          2HG       ARG  57   6.853  -3.542 -12.363
  415   1HD   ARG  57          1HD       ARG  57   9.124  -4.739 -11.112
  416   2HD   ARG  57          2HD       ARG  57   7.827  -5.934 -11.134
  417    HE   ARG  57           HE       ARG  57   9.164  -4.786 -13.494
  418   1HH1  ARG  57          1HH1      ARG  57   6.449  -4.586 -14.366
  419   2HH1  ARG  57          2HH1      ARG  57   6.034  -6.186 -14.888
  420   1HH2  ARG  57          1HH2      ARG  57   8.668  -7.699 -13.214
  421   2HH2  ARG  57          2HH2      ARG  57   7.292  -7.947 -14.236
  422    H    LYS  58           H        LYS  58   7.259  -2.295  -6.767
  423    HA   LYS  58           HA       LYS  58   9.165  -0.152  -6.681
  424   1HB   LYS  58          1HB       LYS  58   6.392   0.592  -7.100
  425   2HB   LYS  58          2HB       LYS  58   6.974   1.212  -5.554
  426   1HG   LYS  58          1HG       LYS  58   9.088   1.665  -7.330
  427   2HG   LYS  58          2HG       LYS  58   7.641   2.086  -8.246
  428   1HD   LYS  58          2HD       LYS  58   7.535   4.030  -7.121
  429   2HD   LYS  58          1HD       LYS  58   7.274   3.119  -5.632
  430   1HE   LYS  58          1HE       LYS  58  10.031   2.899  -6.192
  431   2HE   LYS  58          2HE       LYS  58   9.617   4.592  -6.464
  432   1HZ   LYS  58          1HZ       LYS  58   8.684   3.159  -4.058
  433   2HZ   LYS  58          2HZ       LYS  58  10.223   3.868  -4.108
  434   3HZ   LYS  58          3HZ       LYS  58   8.839   4.833  -4.307
  435    HA   PRO  59           HA       PRO  59   9.175  -1.806  -2.606
  436   1HB   PRO  59          1HB       PRO  59  10.836   0.063  -1.452
  437   2HB   PRO  59          2HB       PRO  59  11.405  -1.244  -2.505
  438   1HG   PRO  59          2HG       PRO  59  11.094   1.664  -3.116
  439   2HG   PRO  59          1HG       PRO  59  12.214   0.483  -3.815
  440   1HD   PRO  59          1HD       PRO  59   9.851   1.411  -5.040
  441   2HD   PRO  59          2HD       PRO  59  10.762  -0.039  -5.517
  442    H    TYR  60           H        TYR  60   7.429  -1.598  -1.266
  443    HA   TYR  60           HA       TYR  60   5.682   0.517  -0.972
  444   1HB   TYR  60          2HB       TYR  60   6.636  -1.262   1.295
  445   2HB   TYR  60          1HB       TYR  60   5.118  -0.369   1.252
  446    HD1  TYR  60           HD1      TYR  60   5.334  -1.115  -2.020
  447    HD2  TYR  60           HD2      TYR  60   4.919  -3.199   1.714
  448    HE1  TYR  60           HE1      TYR  60   4.256  -3.010  -3.196
  449    HE2  TYR  60           HE2      TYR  60   3.840  -5.093   0.535
  450    HH   TYR  60           HH       TYR  60   2.661  -5.553  -1.516
  451    HA   PRO  61           HA       PRO  61   7.817   3.741   1.107
  452   1HB   PRO  61          1HB       PRO  61   5.693   4.946   2.372
  453   2HB   PRO  61          2HB       PRO  61   6.009   5.090   0.634
  454   1HG   PRO  61          2HG       PRO  61   3.928   3.478   2.035
  455   2HG   PRO  61          1HG       PRO  61   3.911   4.153   0.398
  456   1HD   PRO  61          1HD       PRO  61   4.429   1.455   1.066
  457   2HD   PRO  61          2HD       PRO  61   4.741   2.217  -0.507
  458    H    GLU  62           H        GLU  62   8.194   4.640   3.368
  459    HA   GLU  62           HA       GLU  62   7.805   2.475   5.393
  460   1HB   GLU  62          2HB       GLU  62   9.928   4.640   5.303
  461   2HB   GLU  62          1HB       GLU  62   9.823   3.335   6.485
  462   1HG   GLU  62          1HG       GLU  62   9.762   2.417   3.689
  463   2HG   GLU  62          2HG       GLU  62  11.269   3.210   4.152
  464    H    ASP  63           H        ASP  63   8.422   3.928   7.678
  465    HA   ASP  63           HA       ASP  63   5.982   5.065   8.440
  466   1HB   ASP  63          1HB       ASP  63   7.444   6.339  10.167
  467   2HB   ASP  63          2HB       ASP  63   7.487   4.576  10.192
  468    HA   PRO  64           HA       PRO  64   5.925   9.075   6.641
  469   1HB   PRO  64          1HB       PRO  64   4.384  10.378   8.503
  470   2HB   PRO  64          2HB       PRO  64   3.734   9.199   7.351
  471   1HG   PRO  64          2HG       PRO  64   4.213   8.893  10.272
  472   2HG   PRO  64          1HG       PRO  64   3.081   8.024   9.224
  473   1HD   PRO  64          1HD       PRO  64   5.592   7.062  10.163
  474   2HD   PRO  64          2HD       PRO  64   4.567   6.307   8.925
  475    H    ALA  65           H        ALA  65   7.997   8.420   8.977
  476    HA   ALA  65           HA       ALA  65   8.417  10.926  10.332
  477   1HB   ALA  65          1HB       ALA  65   9.302   8.636  11.032
  478   2HB   ALA  65          3HB       ALA  65  10.458   9.964  11.122
  479   3HB   ALA  65          2HB       ALA  65  10.523   8.828   9.774
  480    H    VAL  66           H        VAL  66   8.322  12.439   8.544
  481    HA   VAL  66           HA       VAL  66   9.183  13.612   6.679
  482    HB   VAL  66           HB       VAL  66  11.579  14.299   7.126
  483   1HG1  VAL  66          1HG1      VAL  66   9.173  14.828   8.584
  484   2HG1  VAL  66          2HG1      VAL  66  10.522  14.852   9.720
  485   3HG1  VAL  66          3HG1      VAL  66  10.539  15.908   8.309
  486   1HG2  VAL  66          1HG2      VAL  66  12.208  12.158   8.245
  487   2HG2  VAL  66          2HG2      VAL  66  12.572  13.569   9.237
  488   3HG2  VAL  66          3HG2      VAL  66  11.152  12.584   9.590
  489    H    TYR  67           H        TYR  67   8.954  12.015   5.044
  490    HA   TYR  67           HA       TYR  67  10.601   9.845   4.451
  491   1HB   TYR  67          1HB       TYR  67  10.036  10.296   2.036
  492   2HB   TYR  67          2HB       TYR  67   8.635  10.290   3.108
  493    HD1  TYR  67           HD1      TYR  67   7.524  12.393   3.751
  494    HD2  TYR  67           HD2      TYR  67  10.830  12.352   1.009
  495    HE1  TYR  67           HE1      TYR  67   6.978  14.711   3.057
  496    HE2  TYR  67           HE2      TYR  67  10.284  14.671   0.315
  497    HH   TYR  67           HH       TYR  67   9.054  16.683   1.444
  498    H    LYS  68           H        LYS  68  12.477   9.624   3.052
  499    HA   LYS  68           HA       LYS  68  14.703  10.219   2.556
  500   1HB   LYS  68          1HB       LYS  68  13.091  11.463   0.838
  501   2HB   LYS  68          2HB       LYS  68  13.721  12.897   1.652
  502   1HG   LYS  68          1HG       LYS  68  15.996  11.374   1.254
  503   2HG   LYS  68          2HG       LYS  68  15.062  11.072  -0.213
  504   1HD   LYS  68          1HD       LYS  68  14.751  13.796   0.155
  505   2HD   LYS  68          2HD       LYS  68  16.418  13.522   0.662
  506   1HE   LYS  68          1HE       LYS  68  17.078  12.770  -1.432
  507   2HE   LYS  68          2HE       LYS  68  15.457  12.225  -1.861
  508   1HZ   LYS  68          1HZ       LYS  68  16.290  15.063  -1.594
  509   2HZ   LYS  68          2HZ       LYS  68  16.107  14.233  -3.065
  510   3HZ   LYS  68          3HZ       LYS  68  14.758  14.508  -2.074
  511    HA   PRO  69           HA       PRO  69  15.323  12.762   6.280
  512   1HB   PRO  69          1HB       PRO  69  17.341  11.168   7.254
  513   2HB   PRO  69          2HB       PRO  69  15.622  10.867   7.559
  514   1HG   PRO  69          2HG       PRO  69  17.481   9.432   5.721
  515   2HG   PRO  69          1HG       PRO  69  16.017   8.840   6.524
  516   1HD   PRO  69          1HD       PRO  69  16.217   9.634   3.814
  517   2HD   PRO  69          2HD       PRO  69  14.710   9.357   4.714
  518    H    LEU  70           H        LEU  70  17.336  13.934   6.964
  519    HA   LEU  70           HA       LEU  70  19.706  13.799   5.281
  520   1HB   LEU  70          1HB       LEU  70  19.450  16.149   4.410
  521   2HB   LEU  70          2HB       LEU  70  18.301  15.006   3.715
  522    HG   LEU  70           HG       LEU  70  16.904  15.833   5.895
  523   1HD1  LEU  70          1HD1      LEU  70  19.061  17.648   5.709
  524   2HD1  LEU  70          2HD1      LEU  70  17.647  18.507   5.093
  525   3HD1  LEU  70          3HD1      LEU  70  17.618  17.805   6.711
  526   1HD2  LEU  70          1HD2      LEU  70  16.943  16.372   3.035
  527   2HD2  LEU  70          2HD2      LEU  70  15.560  16.146   4.106
  528   3HD2  LEU  70          3HD2      LEU  70  16.290  17.742   3.934
  529    H    SER  71           H        SER  71  21.229  14.114   6.827
  530    HA   SER  71           HA       SER  71  20.931  16.459   8.631
  531   1HB   SER  71          1HB       SER  71  20.183  14.770  10.098
  532   2HB   SER  71          2HB       SER  71  21.311  13.583   9.450
  533    HG   SER  71           HG       SER  71  21.664  15.519  11.373
  534    H    GLN  72           H        GLN  72  22.644  17.561   7.672
  535    HA   GLN  72           HA       GLN  72  24.887  18.098   7.245
  536   1HB   GLN  72          1HB       GLN  72  24.888  16.412   9.573
  537   2HB   GLN  72          2HB       GLN  72  26.289  16.011   8.576
  538   1HG   GLN  72          1HG       GLN  72  26.574  18.614   8.404
  539   2HG   GLN  72          2HG       GLN  72  25.568  18.636   9.853
  540   2HE2  GLN  72          2HE2      GLN  72  28.734  17.741   8.588
  541   1HE2  GLN  72          1HE2      GLN  72  29.424  17.344  10.087
  542    H    GLU  73           H        GLU  73  27.111  16.538   6.749
  543    HA   GLU  73           HA       GLU  73  26.154  14.837   4.484
  544   1HB   GLU  73          2HB       GLU  73  28.947  15.943   4.728
  545   2HB   GLU  73          1HB       GLU  73  28.077  15.450   3.274
  546   1HG   GLU  73          2HG       GLU  73  27.460  17.592   2.984
  547   2HG   GLU  73          1HG       GLU  73  26.506  17.471   4.463
  548    H    GLU  74           H        GLU  74  26.002  12.865   5.644
  549    HA   GLU  74           HA       GLU  74  28.565  11.521   6.079
  550   1HB   GLU  74          1HB       GLU  74  27.856  10.823   8.440
  551   2HB   GLU  74          2HB       GLU  74  28.427  12.480   8.259
  552   1HG   GLU  74          1HG       GLU  74  25.813  12.883   7.768
  553   2HG   GLU  74          2HG       GLU  74  25.683  11.471   8.818
  554    H    LEU  75           H        LEU  75  27.400  10.413   4.251
  555    HA   LEU  75           HA       LEU  75  25.708   8.228   5.356
  556   1HB   LEU  75          1HB       LEU  75  24.994  10.170   3.206
  557   2HB   LEU  75          2HB       LEU  75  24.525   8.486   2.964
  558    HG   LEU  75           HG       LEU  75  23.698   8.703   5.474
  559   1HD1  LEU  75          1HD1      LEU  75  24.591  11.296   5.013
  560   2HD1  LEU  75          2HD1      LEU  75  22.844  11.418   4.798
  561   3HD1  LEU  75          3HD1      LEU  75  23.506  10.795   6.310
  562   1HD2  LEU  75          1HD2      LEU  75  22.457   9.307   2.860
  563   2HD2  LEU  75          2HD2      LEU  75  21.932   8.196   4.125
  564   3HD2  LEU  75          3HD2      LEU  75  21.565   9.915   4.254
  565    H    GLN  76           H        GLN  76  28.556   8.729   4.233
  566    HA   GLN  76           HA       GLN  76  30.085   7.564   2.885
  567   1HB   GLN  76          1HB       GLN  76  28.213   5.650   4.018
  568   2HB   GLN  76          2HB       GLN  76  28.816   5.098   2.455
  569   1HG   GLN  76          1HG       GLN  76  31.150   5.630   3.269
  570   2HG   GLN  76          2HG       GLN  76  30.456   5.907   4.867
  571   2HE2  GLN  76          2HE2      GLN  76  29.008   3.961   5.659
  572   1HE2  GLN  76          1HE2      GLN  76  29.609   2.408   5.329
  573    H    ARG  77           H        ARG  77  28.281   9.225   1.466
  574    HA   ARG  77           HA       ARG  77  28.201   7.750  -1.115
  575   1HB   ARG  77          1HB       ARG  77  25.919   7.610  -0.204
  576   2HB   ARG  77          2HB       ARG  77  25.890   9.360   0.016
  577   1HG   ARG  77          1HG       ARG  77  25.733   9.784  -2.259
  578   2HG   ARG  77          2HG       ARG  77  26.530   8.273  -2.700
  579   1HD   ARG  77          1HD       ARG  77  24.296   7.344  -1.420
  580   2HD   ARG  77          2HD       ARG  77  23.675   8.809  -2.180
  581    HE   ARG  77           HE       ARG  77  24.182   6.408  -3.569
  582   1HH1  ARG  77          1HH1      ARG  77  26.644   7.609  -4.558
  583   2HH1  ARG  77          2HH1      ARG  77  26.122   8.567  -5.903
  584   1HH2  ARG  77          1HH2      ARG  77  22.789   8.570  -4.944
  585   2HH2  ARG  77          2HH2      ARG  77  23.936   9.110  -6.122
  586    H    ILE  78           H        ILE  78  30.217   9.331  -0.897
  587    HA   ILE  78           HA       ILE  78  29.465  12.110  -1.618
  588    HB   ILE  78           HB       ILE  78  32.294  11.105  -1.423
  589   1HG1  ILE  78          1HG1      ILE  78  30.568  11.949   0.928
  590   2HG1  ILE  78          2HG1      ILE  78  31.017  10.279   0.579
  591   1HG2  ILE  78          1HG2      ILE  78  31.665  13.447  -2.178
  592   2HG2  ILE  78          2HG2      ILE  78  31.030  13.716  -0.555
  593   3HG2  ILE  78          3HG2      ILE  78  32.745  13.377  -0.785
  594   1HD1  ILE  78          1HD1      ILE  78  33.264  12.207   0.634
  595   2HD1  ILE  78          2HD1      ILE  78  32.476  11.922   2.186
  596   3HD1  ILE  78          3HD1      ILE  78  33.167  10.572   1.287

  No H/Q in entry =         596
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1 -27.269   1.063  13.456
    2    H2   MET   1           H2       MET   1 -28.765   1.057  14.264
    3    H3   MET   1           H3       MET   1 -27.547  -0.031  14.725
    4    HA   MET   1           HA       MET   1 -28.510  -1.513  13.398
    5   1HB   MET   1          1HB       MET   1 -30.044   0.921  12.598
    6   2HB   MET   1          2HB       MET   1 -30.113  -0.476  11.524
    7   1HG   MET   1          1HG       MET   1 -30.392  -1.370  14.241
    8   2HG   MET   1          2HG       MET   1 -31.552  -0.076  13.939
    9   1HE   MET   1          1HE       MET   1 -33.701  -1.156  13.963
   10   2HE   MET   1          2HE       MET   1 -34.070  -2.767  13.353
   11   3HE   MET   1          3HE       MET   1 -32.900  -2.573  14.656
   12    H    SER   2           H        SER   2 -28.284  -2.337  11.153
   13    HA   SER   2           HA       SER   2 -26.010  -0.985   9.788
   14   1HB   SER   2          1HB       SER   2 -27.103  -3.787   9.395
   15   2HB   SER   2          2HB       SER   2 -25.623  -3.139   8.695
   16    HG   SER   2           HG       SER   2 -24.886  -4.079  10.481
   17    H    ARG   3           H        ARG   3 -29.210  -2.408   9.133
   18    HA   ARG   3           HA       ARG   3 -30.747  -1.924   7.426
   19   1HB   ARG   3          2HB       ARG   3 -28.904   0.379   6.730
   20   2HB   ARG   3          1HB       ARG   3 -30.615   0.224   6.334
   21   1HG   ARG   3          1HG       ARG   3 -30.297  -0.102   9.168
   22   2HG   ARG   3          2HG       ARG   3 -29.467   1.372   8.669
   23   1HD   ARG   3          1HD       ARG   3 -31.963   1.595   9.241
   24   2HD   ARG   3          2HD       ARG   3 -31.437   2.286   7.706
   25    HE   ARG   3           HE       ARG   3 -32.618   0.559   6.560
   26   1HH1  ARG   3          1HH1      ARG   3 -33.820   0.938   9.591
   27   2HH1  ARG   3          2HH1      ARG   3 -34.434  -0.671   9.780
   28   1HH2  ARG   3          1HH2      ARG   3 -32.839  -1.893   6.952
   29   2HH2  ARG   3          2HH2      ARG   3 -33.879  -2.275   8.283
   30    H    SER   4           H        SER   4 -30.782  -1.689   4.921
   31    HA   SER   4           HA       SER   4 -28.310  -2.549   3.581
   32   1HB   SER   4          1HB       SER   4 -29.222  -4.639   2.741
   33   2HB   SER   4          2HB       SER   4 -29.314  -4.659   4.500
   34    HG   SER   4           HG       SER   4 -31.524  -3.643   3.963
   35    HA   PRO   5           HA       PRO   5 -31.198  -0.016   1.039
   36   1HB   PRO   5          1HB       PRO   5 -29.316   1.882   0.391
   37   2HB   PRO   5          2HB       PRO   5 -30.346   1.977   1.830
   38   1HG   PRO   5          2HG       PRO   5 -27.453   1.271   1.634
   39   2HG   PRO   5          1HG       PRO   5 -28.343   1.988   2.986
   40   1HD   PRO   5          1HD       PRO   5 -27.566  -0.720   2.775
   41   2HD   PRO   5          2HD       PRO   5 -28.748  -0.064   3.929
   42    H    ASP   6           H        ASP   6 -27.943   0.571  -0.173
   43    HA   ASP   6           HA       ASP   6 -27.884  -1.635  -2.032
   44   1HB   ASP   6          1HB       ASP   6 -29.432   0.696  -2.779
   45   2HB   ASP   6          2HB       ASP   6 -28.065   0.488  -3.875
   46    H    ALA   7           H        ALA   7 -26.993   1.831  -2.302
   47    HA   ALA   7           HA       ALA   7 -24.874   2.820  -2.531
   48   1HB   ALA   7          1HB       ALA   7 -23.288   2.133  -1.010
   49   2HB   ALA   7          3HB       ALA   7 -23.509   0.426  -1.394
   50   3HB   ALA   7          2HB       ALA   7 -24.668   1.254  -0.355
   51    H    LYS   8           H        LYS   8 -25.348   2.246  -4.881
   52    HA   LYS   8           HA       LYS   8 -24.237  -0.053  -6.136
   53   1HB   LYS   8          1HB       LYS   8 -25.333   2.531  -6.965
   54   2HB   LYS   8          2HB       LYS   8 -24.045   1.966  -8.032
   55   1HG   LYS   8          1HG       LYS   8 -25.223   0.090  -8.690
   56   2HG   LYS   8          2HG       LYS   8 -26.116  -0.010  -7.172
   57   1HD   LYS   8          1HD       LYS   8 -27.012   2.380  -8.114
   58   2HD   LYS   8          2HD       LYS   8 -26.740   1.518  -9.628
   59   1HE   LYS   8          1HE       LYS   8 -28.302  -0.137  -9.124
   60   2HE   LYS   8          2HE       LYS   8 -28.172   0.130  -7.386
   61   1HZ   LYS   8          1HZ       LYS   8 -29.379   2.031  -9.322
   62   2HZ   LYS   8          2HZ       LYS   8 -30.252   0.989  -8.301
   63   3HZ   LYS   8          3HZ       LYS   8 -29.300   2.232  -7.639
   64    H    GLU   9           H        GLU   9 -22.772   3.044  -5.243
   65    HA   GLU   9           HA       GLU   9 -20.113   1.848  -5.572
   66   1HB   GLU   9          1HB       GLU   9 -20.939   2.844  -7.851
   67   2HB   GLU   9          2HB       GLU   9 -20.598   4.399  -7.090
   68   1HG   GLU   9          1HG       GLU   9 -18.343   2.960  -6.459
   69   2HG   GLU   9          2HG       GLU   9 -18.733   2.342  -8.065
   70    H    ASP  10           H        ASP  10 -18.736   2.732  -4.081
   71    HA   ASP  10           HA       ASP  10 -18.424   5.348  -3.265
   72   1HB   ASP  10          1HB       ASP  10 -20.973   4.311  -2.355
   73   2HB   ASP  10          2HB       ASP  10 -19.952   4.745  -0.983
   74    HA   PRO  11           HA       PRO  11 -16.976   2.484   0.268
   75   1HB   PRO  11          1HB       PRO  11 -17.923  -0.095   0.286
   76   2HB   PRO  11          2HB       PRO  11 -18.733   1.248   1.107
   77   1HG   PRO  11          2HG       PRO  11 -19.505  -0.148  -1.406
   78   2HG   PRO  11          1HG       PRO  11 -20.522   0.739  -0.259
   79   1HD   PRO  11          1HD       PRO  11 -19.586   1.699  -2.763
   80   2HD   PRO  11          2HD       PRO  11 -20.367   2.661  -1.491
   81    H    VAL  12           H        VAL  12 -14.949   1.520   0.091
   82    HA   VAL  12           HA       VAL  12 -14.271   0.317  -2.535
   83    HB   VAL  12           HB       VAL  12 -12.316   0.875  -0.309
   84   1HG1  VAL  12          1HG1      VAL  12 -12.205   0.762  -3.333
   85   2HG1  VAL  12          2HG1      VAL  12 -10.873   1.356  -2.342
   86   3HG1  VAL  12          3HG1      VAL  12 -11.407  -0.317  -2.189
   87   1HG2  VAL  12          1HG2      VAL  12 -13.541   2.836  -2.270
   88   2HG2  VAL  12          2HG2      VAL  12 -13.538   2.945  -0.510
   89   3HG2  VAL  12          3HG2      VAL  12 -12.034   3.144  -1.408
   90    H    GLU  13           H        GLU  13 -12.818  -1.637  -2.488
   91    HA   GLU  13           HA       GLU  13 -13.182  -3.340  -0.081
   92   1HB   GLU  13          1HB       GLU  13 -14.113  -4.001  -2.881
   93   2HB   GLU  13          2HB       GLU  13 -13.813  -5.247  -1.670
   94   1HG   GLU  13          1HG       GLU  13 -15.714  -4.761  -0.539
   95   2HG   GLU  13          2HG       GLU  13 -15.440  -3.023  -0.659
   96    H    CYS  14           H        CYS  14 -11.299  -4.372   0.373
   97    HA   CYS  14           HA       CYS  14  -8.876  -3.980  -0.900
   98   1HB   CYS  14          1HB       CYS  14  -9.171  -5.139   1.288
   99   2HB   CYS  14          2HB       CYS  14  -9.736  -6.566   0.427
  100    HA   PRO  15           HA       PRO  15  -9.698  -6.208  -4.711
  101   1HB   PRO  15          1HB       PRO  15  -7.437  -5.307  -5.993
  102   2HB   PRO  15          2HB       PRO  15  -8.932  -4.363  -5.864
  103   1HG   PRO  15          2HG       PRO  15  -6.359  -4.013  -4.399
  104   2HG   PRO  15          1HG       PRO  15  -7.602  -2.812  -4.784
  105   1HD   PRO  15          1HD       PRO  15  -7.227  -4.061  -2.271
  106   2HD   PRO  15          2HD       PRO  15  -8.650  -3.120  -2.767
  107    H    LEU  16           H        LEU  16  -7.508  -6.758  -2.312
  108    HA   LEU  16           HA       LEU  16  -5.923  -8.796  -3.782
  109   1HB   LEU  16          1HB       LEU  16  -5.571  -7.185  -1.342
  110   2HB   LEU  16          2HB       LEU  16  -5.105  -8.875  -1.151
  111    HG   LEU  16           HG       LEU  16  -3.256  -7.365  -1.948
  112   1HD1  LEU  16          1HD1      LEU  16  -4.225  -9.777  -3.442
  113   2HD1  LEU  16          2HD1      LEU  16  -2.793  -8.928  -4.026
  114   3HD1  LEU  16          3HD1      LEU  16  -2.815  -9.605  -2.397
  115   1HD2  LEU  16          1HD2      LEU  16  -5.257  -6.490  -3.724
  116   2HD2  LEU  16          2HD2      LEU  16  -3.556  -6.018  -3.735
  117   3HD2  LEU  16          3HD2      LEU  16  -4.103  -7.376  -4.721
  118    H    CYS  17           H        CYS  17  -8.160  -8.427  -1.053
  119    HA   CYS  17           HA       CYS  17  -8.720 -11.355  -1.242
  120   1HB   CYS  17          1HB       CYS  17  -8.810 -11.555   1.147
  121   2HB   CYS  17          2HB       CYS  17  -7.298 -10.728   0.777
  122    H    MET  18           H        MET  18  -9.958  -8.733  -2.158
  123    HA   MET  18           HA       MET  18 -12.035  -7.687  -2.230
  124   1HB   MET  18          1HB       MET  18 -13.739  -9.130  -2.925
  125   2HB   MET  18          2HB       MET  18 -12.271 -10.021  -3.312
  126   1HG   MET  18          1HG       MET  18 -13.072 -10.620  -0.602
  127   2HG   MET  18          2HG       MET  18 -14.425 -10.882  -1.694
  128   1HE   MET  18          1HE       MET  18 -14.861 -12.541  -2.941
  129   2HE   MET  18          2HE       MET  18 -13.761 -12.303  -4.294
  130   3HE   MET  18          3HE       MET  18 -13.873 -13.883  -3.507
  131    H    GLU  19           H        GLU  19 -10.957  -7.927   0.503
  132    HA   GLU  19           HA       GLU  19 -13.269  -8.507   2.212
  133   1HB   GLU  19          1HB       GLU  19 -10.466  -7.543   2.648
  134   2HB   GLU  19          2HB       GLU  19 -11.661  -7.234   3.903
  135   1HG   GLU  19          1HG       GLU  19 -11.411  -9.986   2.717
  136   2HG   GLU  19          2HG       GLU  19 -10.303  -9.465   3.988
  137    HA   PRO  20           HA       PRO  20 -14.970  -4.455   2.268
  138   1HB   PRO  20          1HB       PRO  20 -15.777  -4.251   4.888
  139   2HB   PRO  20          2HB       PRO  20 -16.600  -5.262   3.688
  140   1HG   PRO  20          2HG       PRO  20 -14.800  -6.086   5.920
  141   2HG   PRO  20          1HG       PRO  20 -16.104  -6.994   5.138
  142   1HD   PRO  20          1HD       PRO  20 -13.339  -7.335   4.664
  143   2HD   PRO  20          2HD       PRO  20 -14.655  -7.974   3.655
  144    H    LEU  21           H        LEU  21 -13.619  -2.681   2.112
  145    HA   LEU  21           HA       LEU  21 -11.422  -2.230   3.953
  146   1HB   LEU  21          1HB       LEU  21 -12.599  -0.802   1.605
  147   2HB   LEU  21          2HB       LEU  21 -11.586   0.129   2.709
  148    HG   LEU  21           HG       LEU  21 -10.732  -2.518   1.519
  149   1HD1  LEU  21          1HD1      LEU  21 -10.174   0.312   0.584
  150   2HD1  LEU  21          2HD1      LEU  21  -9.320  -1.117   0.002
  151   3HD1  LEU  21          3HD1      LEU  21 -11.046  -0.935  -0.306
  152   1HD2  LEU  21          1HD2      LEU  21  -9.688  -1.582   3.673
  153   2HD2  LEU  21          2HD2      LEU  21  -8.573  -1.952   2.359
  154   3HD2  LEU  21          3HD2      LEU  21  -9.048  -0.282   2.668
  155    H    GLU  22           H        GLU  22 -11.439   0.400   4.625
  156    HA   GLU  22           HA       GLU  22 -14.025   0.987   5.952
  157   1HB   GLU  22          2HB       GLU  22 -11.425   0.905   7.506
  158   2HB   GLU  22          1HB       GLU  22 -13.044   1.182   8.147
  159   1HG   GLU  22          1HG       GLU  22 -12.202  -1.368   6.744
  160   2HG   GLU  22          2HG       GLU  22 -12.208  -1.167   8.496
  161    H    ILE  23           H        ILE  23 -14.003   3.220   6.893
  162    HA   ILE  23           HA       ILE  23 -13.093   5.163   5.074
  163    HB   ILE  23           HB       ILE  23 -13.764   5.351   8.019
  164   1HG1  ILE  23          1HG1      ILE  23 -15.570   4.791   6.372
  165   2HG1  ILE  23          2HG1      ILE  23 -15.835   6.329   7.193
  166   1HG2  ILE  23          1HG2      ILE  23 -12.958   7.505   6.061
  167   2HG2  ILE  23          2HG2      ILE  23 -13.952   7.857   7.475
  168   3HG2  ILE  23          3HG2      ILE  23 -12.324   7.210   7.680
  169   1HD1  ILE  23          1HD1      ILE  23 -14.351   7.125   5.031
  170   2HD1  ILE  23          2HD1      ILE  23 -15.278   5.792   4.346
  171   3HD1  ILE  23          3HD1      ILE  23 -16.114   7.153   5.092
  172    H    ASP  24           H        ASP  24 -11.655   4.446   8.280
  173    HA   ASP  24           HA       ASP  24  -9.262   5.978   7.643
  174   1HB   ASP  24          1HB       ASP  24  -9.779   4.021   9.904
  175   2HB   ASP  24          2HB       ASP  24  -8.442   5.170   9.816
  176    H    ASP  25           H        ASP  25 -10.310   2.943   6.697
  177    HA   ASP  25           HA       ASP  25  -7.547   1.830   6.605
  178   1HB   ASP  25          1HB       ASP  25 -10.240   0.537   6.080
  179   2HB   ASP  25          2HB       ASP  25  -8.688  -0.290   5.945
  180    H    ILE  26           H        ILE  26  -9.347   3.804   4.752
  181    HA   ILE  26           HA       ILE  26  -8.879   2.467   2.163
  182    HB   ILE  26           HB       ILE  26 -10.221   5.025   3.030
  183   1HG1  ILE  26          1HG1      ILE  26 -11.476   3.256   1.052
  184   2HG1  ILE  26          2HG1      ILE  26 -11.102   2.441   2.571
  185   1HG2  ILE  26          1HG2      ILE  26  -9.402   4.242   0.217
  186   2HG2  ILE  26          2HG2      ILE  26 -10.623   5.464   0.577
  187   3HG2  ILE  26          3HG2      ILE  26  -8.952   5.709   1.088
  188   1HD1  ILE  26          1HD1      ILE  26 -12.144   4.953   3.303
  189   2HD1  ILE  26          2HD1      ILE  26 -13.189   4.366   2.009
  190   3HD1  ILE  26          3HD1      ILE  26 -12.942   3.389   3.456
  191    H    ASN  27           H        ASN  27  -7.530   5.075   4.116
  192    HA   ASN  27           HA       ASN  27  -5.730   5.960   1.978
  193   1HB   ASN  27          1HB       ASN  27  -5.863   6.627   4.934
  194   2HB   ASN  27          2HB       ASN  27  -4.750   7.385   3.794
  195   2HD2  ASN  27          2HD2      ASN  27  -6.315   9.248   4.846
  196   1HD2  ASN  27          1HD2      ASN  27  -7.624   9.667   3.849
  197    H    PHE  28           H        PHE  28  -5.770   3.196   3.683
  198    HA   PHE  28           HA       PHE  28  -2.851   3.168   4.257
  199   1HB   PHE  28          1HB       PHE  28  -4.264   2.300   6.045
  200   2HB   PHE  28          2HB       PHE  28  -5.040   1.178   4.926
  201    HD1  PHE  28           HD1      PHE  28  -3.833  -0.766   4.043
  202    HD2  PHE  28           HD2      PHE  28  -1.985   1.930   6.829
  203    HE1  PHE  28           HE1      PHE  28  -2.032  -2.422   4.450
  204    HE2  PHE  28           HE2      PHE  28  -0.183   0.274   7.236
  205    HZ   PHE  28           HZ       PHE  28  -0.206  -1.902   6.046
  206    H    PHE  29           H        PHE  29  -1.822   2.828   2.312
  207    HA   PHE  29           HA       PHE  29  -2.604   0.354   0.826
  208   1HB   PHE  29          1HB       PHE  29  -1.430   1.765  -1.141
  209   2HB   PHE  29          2HB       PHE  29  -3.159   1.869  -0.818
  210    HD1  PHE  29           HD1      PHE  29  -0.020   3.354   0.640
  211    HD2  PHE  29           HD2      PHE  29  -4.013   4.013  -0.815
  212    HE1  PHE  29           HE1      PHE  29   0.194   5.775   1.140
  213    HE2  PHE  29           HE2      PHE  29  -3.799   6.430  -0.310
  214    HZ   PHE  29           HZ       PHE  29  -1.695   7.313   0.665
  215    HA   PRO  30           HA       PRO  30   1.603  -0.767   1.381
  216   1HB   PRO  30          1HB       PRO  30   1.817  -2.575  -0.681
  217   2HB   PRO  30          2HB       PRO  30   0.961  -2.917   0.833
  218   1HG   PRO  30          2HG       PRO  30  -0.164  -2.323  -1.865
  219   2HG   PRO  30          1HG       PRO  30  -0.872  -3.252  -0.533
  220   1HD   PRO  30          1HD       PRO  30  -1.532  -0.589  -1.231
  221   2HD   PRO  30          2HD       PRO  30  -1.976  -1.414   0.279
  222    H    CYS  31           H        CYS  31   0.432   0.460  -1.671
  223    HA   CYS  31           HA       CYS  31   3.187   1.438  -2.286
  224   1HB   CYS  31          1HB       CYS  31   2.532  -0.462  -3.778
  225   2HB   CYS  31          2HB       CYS  31   1.154   0.493  -4.324
  226    H    THR  32           H        THR  32   3.190   3.471  -3.521
  227    HA   THR  32           HA       THR  32   0.886   5.154  -2.763
  228    HB   THR  32           HB       THR  32   3.300   5.850  -2.393
  229    HG1  THR  32           HG1      THR  32   2.455   7.754  -2.411
  230   1HG2  THR  32          1HG2      THR  32   3.546   5.111  -5.064
  231   2HG2  THR  32          2HG2      THR  32   3.565   6.875  -5.113
  232   3HG2  THR  32          3HG2      THR  32   4.739   6.008  -4.124
  233    H    CYS  33           H        CYS  33   1.197   3.174  -5.257
  234    HA   CYS  33           HA       CYS  33   0.611   5.104  -7.415
  235   1HB   CYS  33          2HB       CYS  33   0.655   3.221  -8.908
  236   2HB   CYS  33          1HB       CYS  33   2.003   3.020  -7.788
  237    H    GLY  34           H        GLY  34  -1.077   2.862  -5.302
  238   1HA   GLY  34          2HA       GLY  34  -3.618   3.522  -6.728
  239   2HA   GLY  34          1HA       GLY  34  -3.491   3.726  -4.980
  240    H    TYR  35           H        TYR  35  -1.635   1.098  -5.444
  241    HA   TYR  35           HA       TYR  35  -3.812  -0.867  -5.787
  242   1HB   TYR  35          1HB       TYR  35  -1.258  -1.055  -6.531
  243   2HB   TYR  35          2HB       TYR  35  -1.073  -1.674  -4.889
  244    HD1  TYR  35           HD1      TYR  35  -3.514  -2.018  -7.729
  245    HD2  TYR  35           HD2      TYR  35  -1.264  -3.986  -4.643
  246    HE1  TYR  35           HE1      TYR  35  -4.441  -4.204  -8.443
  247    HE2  TYR  35           HE2      TYR  35  -2.190  -6.168  -5.358
  248    HH   TYR  35           HH       TYR  35  -3.260  -7.226  -7.104
  249    H    GLN  36           H        GLN  36  -4.333   0.755  -3.652
  250    HA   GLN  36           HA       GLN  36  -3.337   0.064  -1.123
  251   1HB   GLN  36          1HB       GLN  36  -5.011   1.898  -1.739
  252   2HB   GLN  36          2HB       GLN  36  -6.252   0.647  -1.673
  253   1HG   GLN  36          1HG       GLN  36  -5.002   0.165   0.676
  254   2HG   GLN  36          2HG       GLN  36  -4.710   1.899   0.534
  255   2HE2  GLN  36          2HE2      GLN  36  -7.225   2.387  -0.993
  256   1HE2  GLN  36          1HE2      GLN  36  -8.489   2.239   0.131
  257    H    ILE  37           H        ILE  37  -4.038  -1.412   0.472
  258    HA   ILE  37           HA       ILE  37  -5.848  -3.600  -0.415
  259    HB   ILE  37           HB       ILE  37  -4.308  -5.310   0.284
  260   1HG1  ILE  37          1HG1      ILE  37  -2.589  -3.003   1.255
  261   2HG1  ILE  37          2HG1      ILE  37  -3.393  -4.210   2.259
  262   1HG2  ILE  37          1HG2      ILE  37  -3.919  -4.279  -1.969
  263   2HG2  ILE  37          2HG2      ILE  37  -2.704  -3.232  -1.235
  264   3HG2  ILE  37          3HG2      ILE  37  -2.462  -4.978  -1.264
  265   1HD1  ILE  37          1HD1      ILE  37  -1.643  -5.323   0.154
  266   2HD1  ILE  37          2HD1      ILE  37  -0.804  -4.412   1.410
  267   3HD1  ILE  37          3HD1      ILE  37  -1.810  -5.793   1.846
  268    H    CYS  38           H        CYS  38  -5.911  -5.152   1.783
  269    HA   CYS  38           HA       CYS  38  -6.908  -3.284   3.842
  270   1HB   CYS  38          1HB       CYS  38  -8.066  -5.166   4.776
  271   2HB   CYS  38          2HB       CYS  38  -8.257  -5.276   3.027
  272    H    ARG  39           H        ARG  39  -6.377  -3.877   6.190
  273    HA   ARG  39           HA       ARG  39  -3.511  -3.891   6.501
  274   1HB   ARG  39          1HB       ARG  39  -5.829  -4.001   8.423
  275   2HB   ARG  39          2HB       ARG  39  -4.169  -4.173   8.997
  276   1HG   ARG  39          1HG       ARG  39  -4.410  -1.958   7.130
  277   2HG   ARG  39          2HG       ARG  39  -5.511  -1.766   8.494
  278   1HD   ARG  39          1HD       ARG  39  -3.499  -2.361   9.984
  279   2HD   ARG  39          2HD       ARG  39  -2.508  -2.083   8.551
  280    HE   ARG  39           HE       ARG  39  -3.596   0.251   8.530
  281   1HH1  ARG  39          1HH1      ARG  39  -1.805  -0.994  10.973
  282   2HH1  ARG  39          2HH1      ARG  39  -2.406   0.036  12.230
  283   1HH2  ARG  39          1HH2      ARG  39  -5.003   1.300  10.313
  284   2HH2  ARG  39          2HH2      ARG  39  -4.215   1.336  11.855
  285    H    PHE  40           H        PHE  40  -5.697  -6.434   6.044
  286    HA   PHE  40           HA       PHE  40  -4.037  -8.362   7.575
  287   1HB   PHE  40          2HB       PHE  40  -6.591  -8.793   5.994
  288   2HB   PHE  40          1HB       PHE  40  -5.785 -10.002   6.995
  289    HD1  PHE  40           HD1      PHE  40  -4.899  -7.865   9.129
  290    HD2  PHE  40           HD2      PHE  40  -8.660  -8.872   7.314
  291    HE1  PHE  40           HE1      PHE  40  -6.093  -7.012  11.127
  292    HE2  PHE  40           HE2      PHE  40  -9.851  -8.020   9.313
  293    HZ   PHE  40           HZ       PHE  40  -8.568  -7.090  11.219
  294    H    CYS  41           H        CYS  41  -4.363  -7.114   4.406
  295    HA   CYS  41           HA       CYS  41  -3.208  -9.522   3.133
  296   1HB   CYS  41          1HB       CYS  41  -4.359  -6.935   2.167
  297   2HB   CYS  41          2HB       CYS  41  -3.167  -7.734   1.143
  298    H    TRP  42           H        TRP  42  -2.288  -6.337   4.260
  299    HA   TRP  42           HA       TRP  42   0.367  -6.457   3.015
  300   1HB   TRP  42          1HB       TRP  42  -0.635  -4.274   3.278
  301   2HB   TRP  42          2HB       TRP  42  -0.905  -4.551   4.997
  302    HD1  TRP  42           HD1      TRP  42   1.931  -4.001   2.471
  303    HE1  TRP  42           HE1      TRP  42   3.997  -3.125   3.739
  304    HE3  TRP  42           HE3      TRP  42   0.241  -4.391   7.272
  305    HZ2  TRP  42           HZ2      TRP  42   4.823  -2.655   6.441
  306    HZ3  TRP  42           HZ3      TRP  42   1.684  -3.722   9.173
  307    HH2  TRP  42           HH2      TRP  42   3.971  -2.856   8.763
  308    H    HIS  43           H        HIS  43  -1.061  -7.849   5.725
  309    HA   HIS  43           HA       HIS  43   1.294  -7.707   7.472
  310   1HB   HIS  43          1HB       HIS  43  -1.474  -8.610   7.688
  311   2HB   HIS  43          2HB       HIS  43  -0.348  -9.764   8.401
  312    HD1  HIS  43           HD1      HIS  43   0.799  -9.107  10.573
  313    HD2  HIS  43           HD2      HIS  43  -1.320  -5.949   8.863
  314    HE1  HIS  43           HE1      HIS  43   0.781  -7.243  12.290
  315    H    ARG  44           H        ARG  44  -0.210 -10.043   5.275
  316    HA   ARG  44           HA       ARG  44   1.846 -12.065   5.900
  317   1HB   ARG  44          1HB       ARG  44  -0.572 -11.990   4.095
  318   2HB   ARG  44          2HB       ARG  44   0.607 -13.298   3.993
  319   1HG   ARG  44          1HG       ARG  44  -0.316 -14.294   5.785
  320   2HG   ARG  44          2HG       ARG  44  -0.019 -12.850   6.754
  321   1HD   ARG  44          1HD       ARG  44  -2.158 -12.069   6.494
  322   2HD   ARG  44          2HD       ARG  44  -2.302 -12.712   4.858
  323    HE   ARG  44           HE       ARG  44  -2.986 -14.821   5.782
  324   1HH1  ARG  44          1HH1      ARG  44  -1.071 -14.028   8.244
  325   2HH1  ARG  44          2HH1      ARG  44  -2.230 -14.198   9.520
  326   1HH2  ARG  44          1HH2      ARG  44  -4.955 -14.367   7.382
  327   2HH2  ARG  44          2HH2      ARG  44  -4.429 -14.391   9.032
  328    H    ILE  45           H        ILE  45   1.227  -9.571   3.557
  329    HA   ILE  45           HA       ILE  45   2.930 -10.607   1.466
  330    HB   ILE  45           HB       ILE  45   1.897  -7.843   2.128
  331   1HG1  ILE  45          1HG1      ILE  45   1.350  -9.452  -0.355
  332   2HG1  ILE  45          2HG1      ILE  45   0.498  -9.842   1.141
  333   1HG2  ILE  45          1HG2      ILE  45   4.151  -8.558   0.472
  334   2HG2  ILE  45          2HG2      ILE  45   2.851  -7.923  -0.536
  335   3HG2  ILE  45          3HG2      ILE  45   3.484  -6.959   0.797
  336   1HD1  ILE  45          1HD1      ILE  45   0.345  -7.061   0.982
  337   2HD1  ILE  45          2HD1      ILE  45   0.095  -7.602  -0.678
  338   3HD1  ILE  45          3HD1      ILE  45  -0.951  -8.197   0.610
  339    H    ARG  46           H        ARG  46   3.476  -8.615   4.331
  340    HA   ARG  46           HA       ARG  46   6.288  -8.148   3.567
  341   1HB   ARG  46          1HB       ARG  46   4.657  -7.355   5.995
  342   2HB   ARG  46          2HB       ARG  46   6.369  -6.977   5.807
  343   1HG   ARG  46          1HG       ARG  46   4.893  -6.265   3.415
  344   2HG   ARG  46          2HG       ARG  46   4.203  -5.475   4.833
  345   1HD   ARG  46          1HD       ARG  46   7.034  -5.309   3.795
  346   2HD   ARG  46          2HD       ARG  46   5.901  -3.992   4.092
  347    HE   ARG  46           HE       ARG  46   6.151  -4.693   6.580
  348   1HH1  ARG  46          1HH1      ARG  46   8.508  -3.596   4.567
  349   2HH1  ARG  46          2HH1      ARG  46   9.856  -4.202   5.471
  350   1HH2  ARG  46          1HH2      ARG  46   7.905  -6.143   7.582
  351   2HH2  ARG  46          2HH2      ARG  46   9.514  -5.646   7.178
  352    H    THR  47           H        THR  47   5.081 -10.891   4.261
  353    HA   THR  47           HA       THR  47   7.045 -11.558   6.420
  354    HB   THR  47           HB       THR  47   5.398 -13.653   6.574
  355    HG1  THR  47           HG1      THR  47   3.722 -13.308   5.381
  356   1HG2  THR  47          1HG2      THR  47   5.979 -11.626   8.198
  357   2HG2  THR  47          2HG2      THR  47   4.330 -11.147   7.798
  358   3HG2  THR  47          3HG2      THR  47   4.636 -12.715   8.542
  359    H    ASP  48           H        ASP  48   5.238 -13.257   3.826
  360    HA   ASP  48           HA       ASP  48   7.681 -14.866   3.309
  361   1HB   ASP  48          2HB       ASP  48   5.196 -15.356   1.752
  362   2HB   ASP  48          1HB       ASP  48   6.304 -16.508   2.491
  363    H    GLU  49           H        GLU  49   5.572 -12.485   1.791
  364    HA   GLU  49           HA       GLU  49   6.806 -12.752  -0.836
  365   1HB   GLU  49          1HB       GLU  49   4.493 -11.569   0.131
  366   2HB   GLU  49          2HB       GLU  49   5.510 -10.186  -0.271
  367   1HG   GLU  49          2HG       GLU  49   4.904 -10.488  -2.421
  368   2HG   GLU  49          1HG       GLU  49   5.866 -11.966  -2.403
  369    H    ASN  50           H        ASN  50   7.060  -9.844  -1.268
  370    HA   ASN  50           HA       ASN  50   9.601  -9.378   0.246
  371   1HB   ASN  50          1HB       ASN  50   9.182  -9.617  -2.564
  372   2HB   ASN  50          2HB       ASN  50   9.564  -7.927  -2.228
  373   2HD2  ASN  50          2HD2      ASN  50  11.749  -8.026  -3.049
  374   1HD2  ASN  50          1HD2      ASN  50  12.962  -8.932  -2.282
  375    H    GLY  51           H        GLY  51   6.479  -8.264  -0.370
  376   1HA   GLY  51          2HA       GLY  51   7.045  -5.748   1.028
  377   2HA   GLY  51          1HA       GLY  51   5.449  -6.342   0.569
  378    H    LEU  52           H        LEU  52   6.745  -6.801  -2.228
  379    HA   LEU  52           HA       LEU  52   7.106  -4.025  -3.148
  380   1HB   LEU  52          1HB       LEU  52   7.367  -6.751  -4.379
  381   2HB   LEU  52          2HB       LEU  52   7.152  -5.357  -5.437
  382    HG   LEU  52           HG       LEU  52   9.292  -5.594  -3.304
  383   1HD1  LEU  52          1HD1      LEU  52   9.274  -6.095  -6.278
  384   2HD1  LEU  52          2HD1      LEU  52  10.754  -5.604  -5.455
  385   3HD1  LEU  52          3HD1      LEU  52   9.946  -7.103  -4.995
  386   1HD2  LEU  52          1HD2      LEU  52   8.247  -3.398  -4.917
  387   2HD2  LEU  52          2HD2      LEU  52   9.373  -3.349  -3.561
  388   3HD2  LEU  52          3HD2      LEU  52   9.971  -3.648  -5.192
  389    H    CYS  53           H        CYS  53   5.832  -3.367  -5.147
  390    HA   CYS  53           HA       CYS  53   2.964  -3.833  -4.626
  391   1HB   CYS  53          1HB       CYS  53   3.753  -1.519  -4.907
  392   2HB   CYS  53          2HB       CYS  53   4.378  -1.917  -6.506
  393    HA   PRO  54           HA       PRO  54   3.203  -6.747  -8.041
  394   1HB   PRO  54          1HB       PRO  54   0.715  -7.829  -7.580
  395   2HB   PRO  54          2HB       PRO  54   2.175  -8.312  -6.698
  396   1HG   PRO  54          2HG       PRO  54  -0.099  -6.611  -5.780
  397   2HG   PRO  54          1HG       PRO  54   1.002  -7.623  -4.830
  398   1HD   PRO  54          1HD       PRO  54   1.156  -4.812  -5.084
  399   2HD   PRO  54          2HD       PRO  54   2.432  -5.870  -4.446
  400    H    ALA  55           H        ALA  55   1.538  -3.928  -7.710
  401    HA   ALA  55           HA       ALA  55  -0.098  -4.349 -10.167
  402   1HB   ALA  55          1HB       ALA  55  -0.532  -2.881  -7.701
  403   2HB   ALA  55          3HB       ALA  55  -0.685  -1.817  -9.100
  404   3HB   ALA  55          2HB       ALA  55  -1.680  -3.268  -8.981
  405    H    CYS  56           H        CYS  56   2.638  -2.603  -8.857
  406    HA   CYS  56           HA       CYS  56   3.153  -1.540 -11.562
  407   1HB   CYS  56          1HB       CYS  56   3.093   0.718 -11.050
  408   2HB   CYS  56          2HB       CYS  56   1.794   0.132 -10.019
  409    H    ARG  57           H        ARG  57   4.374  -3.438  -9.488
  410    HA   ARG  57           HA       ARG  57   6.508  -3.897  -8.581
  411   1HB   ARG  57          1HB       ARG  57   7.080  -2.566 -11.236
  412   2HB   ARG  57          2HB       ARG  57   8.357  -3.265 -10.239
  413   1HG   ARG  57          1HG       ARG  57   5.907  -4.875 -10.935
  414   2HG   ARG  57          2HG       ARG  57   7.258  -4.763 -12.063
  415   1HD   ARG  57          1HD       ARG  57   8.762  -5.778 -10.537
  416   2HD   ARG  57          2HD       ARG  57   7.676  -5.526  -9.170
  417    HE   ARG  57           HE       ARG  57   6.225  -7.300 -10.111
  418   1HH1  ARG  57          1HH1      ARG  57   6.209  -8.461 -12.319
  419   2HH1  ARG  57          2HH1      ARG  57   7.666  -9.344 -12.630
  420   1HH2  ARG  57          1HH2      ARG  57   9.476  -7.758 -10.133
  421   2HH2  ARG  57          2HH2      ARG  57   9.515  -8.946 -11.394
  422    H    LYS  58           H        LYS  58   6.174  -2.343  -6.792
  423    HA   LYS  58           HA       LYS  58   8.276  -0.280  -6.811
  424   1HB   LYS  58          1HB       LYS  58   5.341   0.324  -6.716
  425   2HB   LYS  58          2HB       LYS  58   6.432   1.303  -5.736
  426   1HG   LYS  58          1HG       LYS  58   7.830   1.393  -7.993
  427   2HG   LYS  58          2HG       LYS  58   6.254   1.070  -8.714
  428   1HD   LYS  58          1HD       LYS  58   5.442   3.131  -8.176
  429   2HD   LYS  58          2HD       LYS  58   6.260   3.151  -6.613
  430   1HE   LYS  58          1HE       LYS  58   8.423   3.561  -7.812
  431   2HE   LYS  58          2HE       LYS  58   7.515   3.698  -9.317
  432   1HZ   LYS  58          1HZ       LYS  58   6.215   5.491  -8.270
  433   2HZ   LYS  58          2HZ       LYS  58   7.220   5.403  -6.904
  434   3HZ   LYS  58          3HZ       LYS  58   7.862   5.870  -8.406
  435    HA   PRO  59           HA       PRO  59   8.479  -1.943  -2.728
  436   1HB   PRO  59          1HB       PRO  59  10.299  -0.143  -1.717
  437   2HB   PRO  59          2HB       PRO  59  10.735  -1.498  -2.773
  438   1HG   PRO  59          2HG       PRO  59  10.528   1.409  -3.433
  439   2HG   PRO  59          1HG       PRO  59  11.553   0.161  -4.163
  440   1HD   PRO  59          1HD       PRO  59   9.180   1.170  -5.287
  441   2HD   PRO  59          2HD       PRO  59   9.981  -0.344  -5.761
  442    H    TYR  60           H        TYR  60   6.895  -1.638  -1.233
  443    HA   TYR  60           HA       TYR  60   5.215   0.517  -0.892
  444   1HB   TYR  60          2HB       TYR  60   6.318  -1.057   1.449
  445   2HB   TYR  60          1HB       TYR  60   4.750  -0.261   1.350
  446    HD1  TYR  60           HD1      TYR  60   4.696  -1.215  -1.786
  447    HD2  TYR  60           HD2      TYR  60   4.989  -3.136   2.046
  448    HE1  TYR  60           HE1      TYR  60   3.701  -3.277  -2.742
  449    HE2  TYR  60           HE2      TYR  60   3.996  -5.194   1.090
  450    HH   TYR  60           HH       TYR  60   3.745  -6.265  -1.111
  451    HA   PRO  61           HA       PRO  61   7.740   3.774   0.662
  452   1HB   PRO  61          1HB       PRO  61   5.708   5.424   1.501
  453   2HB   PRO  61          2HB       PRO  61   6.162   5.214  -0.199
  454   1HG   PRO  61          2HG       PRO  61   3.790   4.147   1.256
  455   2HG   PRO  61          1HG       PRO  61   3.984   4.492  -0.470
  456   1HD   PRO  61          1HD       PRO  61   4.098   1.931   0.743
  457   2HD   PRO  61          2HD       PRO  61   4.585   2.328  -0.919
  458    H    GLU  62           H        GLU  62   8.429   2.262   2.496
  459    HA   GLU  62           HA       GLU  62   7.379   3.326   5.076
  460   1HB   GLU  62          1HB       GLU  62   7.588   0.464   4.203
  461   2HB   GLU  62          2HB       GLU  62   7.884   0.860   5.896
  462   1HG   GLU  62          1HG       GLU  62   5.618   0.654   6.069
  463   2HG   GLU  62          2HG       GLU  62   5.626   2.305   5.449
  464    H    ASP  63           H        ASP  63   9.273   4.606   5.296
  465    HA   ASP  63           HA       ASP  63  11.537   5.042   5.763
  466   1HB   ASP  63          1HB       ASP  63  10.667   3.365   7.633
  467   2HB   ASP  63          2HB       ASP  63  11.802   2.263   6.853
  468    HA   PRO  64           HA       PRO  64  13.029   2.725   2.125
  469   1HB   PRO  64          1HB       PRO  64  14.059   4.958   0.892
  470   2HB   PRO  64          2HB       PRO  64  12.376   4.431   0.719
  471   1HG   PRO  64          2HG       PRO  64  13.478   6.702   2.311
  472   2HG   PRO  64          1HG       PRO  64  11.869   6.510   1.596
  473   1HD   PRO  64          1HD       PRO  64  12.522   6.133   4.321
  474   2HD   PRO  64          2HD       PRO  64  11.018   5.617   3.529
  475    H    ALA  65           H        ALA  65  14.401   4.089   4.787
  476    HA   ALA  65           HA       ALA  65  16.572   4.019   5.680
  477   1HB   ALA  65          1HB       ALA  65  17.577   2.483   3.325
  478   2HB   ALA  65          3HB       ALA  65  17.890   2.231   5.042
  479   3HB   ALA  65          2HB       ALA  65  16.356   1.717   4.341
  480    H    VAL  66           H        VAL  66  15.882   6.242   4.105
  481    HA   VAL  66           HA       VAL  66  17.080   8.133   3.352
  482    HB   VAL  66           HB       VAL  66  19.476   6.389   2.809
  483   1HG1  VAL  66          1HG1      VAL  66  19.119   9.279   3.661
  484   2HG1  VAL  66          2HG1      VAL  66  20.664   8.490   3.337
  485   3HG1  VAL  66          3HG1      VAL  66  19.504   8.727   2.030
  486   1HG2  VAL  66          1HG2      VAL  66  18.221   7.053   5.397
  487   2HG2  VAL  66          2HG2      VAL  66  19.406   5.805   5.011
  488   3HG2  VAL  66          3HG2      VAL  66  19.933   7.464   5.295
  489    H    TYR  67           H        TYR  67  18.409   5.374   1.485
  490    HA   TYR  67           HA       TYR  67  18.401   5.014  -0.836
  491   1HB   TYR  67          1HB       TYR  67  15.703   5.535   0.035
  492   2HB   TYR  67          2HB       TYR  67  15.933   6.197  -1.584
  493    HD1  TYR  67           HD1      TYR  67  17.784   3.306  -0.175
  494    HD2  TYR  67           HD2      TYR  67  14.663   4.587  -2.833
  495    HE1  TYR  67           HE1      TYR  67  17.661   1.021  -1.131
  496    HE2  TYR  67           HE2      TYR  67  14.538   2.302  -3.789
  497    HH   TYR  67           HH       TYR  67  16.608  -0.324  -2.546
  498    H    LYS  68           H        LYS  68  20.095   6.691  -1.041
  499    HA   LYS  68           HA       LYS  68  19.131   8.938  -2.722
  500   1HB   LYS  68          1HB       LYS  68  19.571   9.494  -0.146
  501   2HB   LYS  68          2HB       LYS  68  21.243   9.566  -0.703
  502   1HG   LYS  68          1HG       LYS  68  20.104  11.008  -2.660
  503   2HG   LYS  68          2HG       LYS  68  18.943  11.339  -1.373
  504   1HD   LYS  68          1HD       LYS  68  21.638  11.507  -0.341
  505   2HD   LYS  68          2HD       LYS  68  21.462  12.558  -1.747
  506   1HE   LYS  68          1HE       LYS  68  19.395  13.515  -0.718
  507   2HE   LYS  68          2HE       LYS  68  19.694  12.536   0.717
  508   1HZ   LYS  68          1HZ       LYS  68  22.008  13.641   0.633
  509   2HZ   LYS  68          2HZ       LYS  68  21.239  14.813  -0.329
  510   3HZ   LYS  68          3HZ       LYS  68  20.693  14.523   1.252
  511    HA   PRO  69           HA       PRO  69  22.828   6.955  -4.511
  512   1HB   PRO  69          1HB       PRO  69  21.846   6.998  -7.077
  513   2HB   PRO  69          2HB       PRO  69  21.515   5.694  -5.925
  514   1HG   PRO  69          2HG       PRO  69  19.710   7.876  -6.857
  515   2HG   PRO  69          1HG       PRO  69  19.300   6.265  -6.243
  516   1HD   PRO  69          1HD       PRO  69  19.145   8.691  -4.784
  517   2HD   PRO  69          2HD       PRO  69  19.043   7.052  -4.106
  518    H    LEU  70           H        LEU  70  21.246   9.068  -6.892
  519    HA   LEU  70           HA       LEU  70  22.050  10.981  -7.991
  520   1HB   LEU  70          1HB       LEU  70  22.258  11.430  -5.183
  521   2HB   LEU  70          2HB       LEU  70  23.709  12.095  -5.934
  522    HG   LEU  70           HG       LEU  70  20.838  12.716  -6.681
  523   1HD1  LEU  70          1HD1      LEU  70  21.957  13.800  -4.627
  524   2HD1  LEU  70          2HD1      LEU  70  23.010  14.614  -5.782
  525   3HD1  LEU  70          3HD1      LEU  70  21.270  14.891  -5.831
  526   1HD2  LEU  70          1HD2      LEU  70  23.294  12.847  -8.224
  527   2HD2  LEU  70          2HD2      LEU  70  21.642  13.187  -8.737
  528   3HD2  LEU  70          3HD2      LEU  70  22.614  14.458  -7.995
  529    H    SER  71           H        SER  71  23.692   8.453  -7.817
  530    HA   SER  71           HA       SER  71  26.078   9.528  -9.108
  531   1HB   SER  71          1HB       SER  71  26.258   9.259  -6.365
  532   2HB   SER  71          2HB       SER  71  26.891   7.718  -6.937
  533    HG   SER  71           HG       SER  71  27.806  10.335  -7.404
  534    H    GLN  72           H        GLN  72  24.430   6.721  -7.693
  535    HA   GLN  72           HA       GLN  72  24.115   4.566  -8.549
  536   1HB   GLN  72          2HB       GLN  72  25.105   5.830 -11.125
  537   2HB   GLN  72          1HB       GLN  72  24.263   4.286 -10.988
  538   1HG   GLN  72          1HG       GLN  72  22.237   5.308 -10.356
  539   2HG   GLN  72          2HG       GLN  72  23.034   6.813  -9.900
  540   2HE2  GLN  72          2HE2      GLN  72  20.855   6.862 -11.725
  541   1HE2  GLN  72          1HE2      GLN  72  21.436   7.289 -13.261
  542    H    GLU  73           H        GLU  73  26.515   4.616 -10.995
  543    HA   GLU  73           HA       GLU  73  28.089   2.601  -9.810
  544   1HB   GLU  73          1HB       GLU  73  28.939   4.713 -11.817
  545   2HB   GLU  73          2HB       GLU  73  29.813   3.219 -11.480
  546   1HG   GLU  73          1HG       GLU  73  28.157   1.876 -12.442
  547   2HG   GLU  73          2HG       GLU  73  26.909   3.108 -12.246
  548    H    GLU  74           H        GLU  74  30.021   2.666  -8.589
  549    HA   GLU  74           HA       GLU  74  30.402   5.171  -7.060
  550   1HB   GLU  74          1HB       GLU  74  30.618   2.389  -6.471
  551   2HB   GLU  74          2HB       GLU  74  32.215   3.106  -6.254
  552   1HG   GLU  74          2HG       GLU  74  31.531   3.965  -4.292
  553   2HG   GLU  74          1HG       GLU  74  30.345   4.939  -5.163
  554    H    LEU  75           H        LEU  75  32.122   6.507  -7.390
  555    HA   LEU  75           HA       LEU  75  34.471   5.452  -8.893
  556   1HB   LEU  75          1HB       LEU  75  32.699   7.762  -9.597
  557   2HB   LEU  75          2HB       LEU  75  34.425   7.895  -9.934
  558    HG   LEU  75           HG       LEU  75  33.700   5.315 -10.789
  559   1HD1  LEU  75          1HD1      LEU  75  31.330   6.096 -10.677
  560   2HD1  LEU  75          2HD1      LEU  75  31.735   7.394 -11.799
  561   3HD1  LEU  75          3HD1      LEU  75  31.840   5.712 -12.320
  562   1HD2  LEU  75          1HD2      LEU  75  34.094   7.885 -12.356
  563   2HD2  LEU  75          2HD2      LEU  75  35.375   6.796 -11.822
  564   3HD2  LEU  75          3HD2      LEU  75  34.206   6.258 -13.027
  565    H    GLN  76           H        GLN  76  35.950   5.572  -7.223
  566    HA   GLN  76           HA       GLN  76  36.023   8.056  -5.588
  567   1HB   GLN  76          1HB       GLN  76  36.795   5.247  -5.170
  568   2HB   GLN  76          2HB       GLN  76  37.984   6.408  -4.579
  569   1HG   GLN  76          1HG       GLN  76  35.245   7.196  -3.929
  570   2HG   GLN  76          2HG       GLN  76  35.673   5.629  -3.242
  571   2HE2  GLN  76          2HE2      GLN  76  35.317   7.701  -1.431
  572   1HE2  GLN  76          1HE2      GLN  76  36.812   8.213  -0.815
  573    H    ARG  77           H        ARG  77  36.829   8.632  -8.098
  574    HA   ARG  77           HA       ARG  77  38.635   9.402  -9.387
  575   1HB   ARG  77          1HB       ARG  77  39.135  10.043  -6.588
  576   2HB   ARG  77          2HB       ARG  77  40.639   9.863  -7.493
  577   1HG   ARG  77          2HG       ARG  77  40.216  12.055  -8.022
  578   2HG   ARG  77          1HG       ARG  77  39.231  11.308  -9.281
  579   1HD   ARG  77          1HD       ARG  77  37.258  11.425  -7.782
  580   2HD   ARG  77          2HD       ARG  77  38.248  12.226  -6.563
  581    HE   ARG  77           HE       ARG  77  37.764  13.430  -9.259
  582   1HH1  ARG  77          1HH1      ARG  77  39.630  15.092  -8.025
  583   2HH1  ARG  77          2HH1      ARG  77  38.733  16.130  -6.970
  584   1HH2  ARG  77          1HH2      ARG  77  35.915  14.108  -6.946
  585   2HH2  ARG  77          2HH2      ARG  77  36.628  15.573  -6.357
  586    H    ILE  78           H        ILE  78  38.475   6.486  -8.775
  587    HA   ILE  78           HA       ILE  78  41.272   5.844  -9.521
  588    HB   ILE  78           HB       ILE  78  39.794   4.486  -7.246
  589   1HG1  ILE  78          1HG1      ILE  78  42.396   6.043  -7.206
  590   2HG1  ILE  78          2HG1      ILE  78  40.838   6.752  -6.783
  591   1HG2  ILE  78          1HG2      ILE  78  41.147   2.930  -8.632
  592   2HG2  ILE  78          2HG2      ILE  78  42.552   3.971  -8.406
  593   3HG2  ILE  78          3HG2      ILE  78  41.839   3.139  -7.024
  594   1HD1  ILE  78          1HD1      ILE  78  41.994   4.291  -5.445
  595   2HD1  ILE  78          2HD1      ILE  78  42.133   5.925  -4.796
  596   3HD1  ILE  78          3HD1      ILE  78  40.546   5.176  -4.965

  No H/Q in entry =         596
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -36.865  -4.121   5.707
    2    H2   MET   1           H2       MET   1 -36.684  -2.473   6.077
    3    H3   MET   1           H3       MET   1 -36.267  -3.046   4.537
    4    HA   MET   1           HA       MET   1 -34.195  -2.982   5.408
    5   1HB   MET   1          1HB       MET   1 -35.676  -2.615   7.797
    6   2HB   MET   1          2HB       MET   1 -34.551  -3.940   8.102
    7   1HG   MET   1          2HG       MET   1 -32.964  -2.367   8.418
    8   2HG   MET   1          1HG       MET   1 -33.037  -2.077   6.680
    9   1HE   MET   1          1HE       MET   1 -31.928  -0.034   7.617
   10   2HE   MET   1          2HE       MET   1 -32.790   1.447   8.025
   11   3HE   MET   1          3HE       MET   1 -32.443   0.262   9.282
   12    H    SER   2           H        SER   2 -32.645  -4.727   6.204
   13    HA   SER   2           HA       SER   2 -33.557  -7.403   6.679
   14   1HB   SER   2          1HB       SER   2 -32.388  -7.791   4.128
   15   2HB   SER   2          2HB       SER   2 -34.054  -8.111   4.603
   16    HG   SER   2           HG       SER   2 -34.629  -6.415   3.515
   17    H    ARG   3           H        ARG   3 -31.574  -5.762   7.799
   18    HA   ARG   3           HA       ARG   3 -29.311  -5.792   8.413
   19   1HB   ARG   3          1HB       ARG   3 -30.012  -8.568   7.654
   20   2HB   ARG   3          2HB       ARG   3 -28.285  -8.206   7.676
   21   1HG   ARG   3          1HG       ARG   3 -28.696  -8.850   9.896
   22   2HG   ARG   3          2HG       ARG   3 -28.796  -7.091   9.982
   23   1HD   ARG   3          1HD       ARG   3 -31.172  -7.121  10.006
   24   2HD   ARG   3          2HD       ARG   3 -31.234  -8.804   9.485
   25    HE   ARG   3           HE       ARG   3 -29.891  -8.394  12.060
   26   1HH1  ARG   3          1HH1      ARG   3 -32.948  -8.561  10.503
   27   2HH1  ARG   3          2HH1      ARG   3 -33.702  -9.464  11.774
   28   1HH2  ARG   3          1HH2      ARG   3 -30.803  -9.751  13.654
   29   2HH2  ARG   3          2HH2      ARG   3 -32.488 -10.137  13.558
   30    H    SER   4           H        SER   4 -29.125  -4.190   6.548
   31    HA   SER   4           HA       SER   4 -27.001  -5.145   4.728
   32   1HB   SER   4          1HB       SER   4 -28.142  -4.131   2.752
   33   2HB   SER   4          2HB       SER   4 -29.017  -5.514   3.400
   34    HG   SER   4           HG       SER   4 -29.913  -3.460   4.722
   35    HA   PRO   5           HA       PRO   5 -25.517  -1.087   5.522
   36   1HB   PRO   5          1HB       PRO   5 -23.790  -0.856   3.396
   37   2HB   PRO   5          2HB       PRO   5 -23.459  -1.859   4.819
   38   1HG   PRO   5          2HG       PRO   5 -24.257  -2.704   2.074
   39   2HG   PRO   5          1HG       PRO   5 -23.349  -3.600   3.303
   40   1HD   PRO   5          1HD       PRO   5 -26.090  -3.949   2.671
   41   2HD   PRO   5          2HD       PRO   5 -25.249  -4.611   4.090
   42    H    ASP   6           H        ASP   6 -25.893   1.074   4.847
   43    HA   ASP   6           HA       ASP   6 -28.080   1.692   3.240
   44   1HB   ASP   6          1HB       ASP   6 -26.488   3.199   4.745
   45   2HB   ASP   6          2HB       ASP   6 -25.753   3.576   3.187
   46    H    ALA   7           H        ALA   7 -24.701   1.281   2.241
   47    HA   ALA   7           HA       ALA   7 -23.778   0.987   0.105
   48   1HB   ALA   7          1HB       ALA   7 -25.186  -0.820  -0.363
   49   2HB   ALA   7          2HB       ALA   7 -26.646   0.167  -0.279
   50   3HB   ALA   7          3HB       ALA   7 -25.578   0.289  -1.677
   51    H    LYS   8           H        LYS   8 -23.181   2.476  -1.424
   52    HA   LYS   8           HA       LYS   8 -25.178   4.521  -2.262
   53   1HB   LYS   8          1HB       LYS   8 -22.624   4.965  -0.791
   54   2HB   LYS   8          2HB       LYS   8 -23.000   6.090  -2.098
   55   1HG   LYS   8          1HG       LYS   8 -25.394   6.091  -0.939
   56   2HG   LYS   8          2HG       LYS   8 -24.450   5.621   0.475
   57   1HD   LYS   8          1HD       LYS   8 -23.050   7.733  -0.835
   58   2HD   LYS   8          2HD       LYS   8 -24.736   8.227  -0.673
   59   1HE   LYS   8          1HE       LYS   8 -23.306   6.972   1.658
   60   2HE   LYS   8          2HE       LYS   8 -23.090   8.687   1.309
   61   1HZ   LYS   8          1HZ       LYS   8 -25.821   8.044   1.140
   62   2HZ   LYS   8          2HZ       LYS   8 -25.222   7.464   2.617
   63   3HZ   LYS   8          3HZ       LYS   8 -25.046   9.107   2.217
   64    H    GLU   9           H        GLU   9 -21.743   4.774  -2.897
   65    HA   GLU   9           HA       GLU   9 -22.307   4.019  -5.735
   66   1HB   GLU   9          1HB       GLU   9 -21.477   6.416  -5.017
   67   2HB   GLU   9          2HB       GLU   9 -19.905   5.622  -4.910
   68   1HG   GLU   9          1HG       GLU   9 -20.061   4.885  -7.222
   69   2HG   GLU   9          2HG       GLU   9 -21.704   5.516  -7.348
   70    H    ASP  10           H        ASP  10 -21.842   1.901  -4.083
   71    HA   ASP  10           HA       ASP  10 -20.454   0.027  -3.854
   72   1HB   ASP  10          1HB       ASP  10 -19.043   1.437  -6.132
   73   2HB   ASP  10          2HB       ASP  10 -18.592  -0.166  -5.552
   74    HA   PRO  11           HA       PRO  11 -17.530   2.051  -1.099
   75   1HB   PRO  11          1HB       PRO  11 -17.365  -0.074   0.636
   76   2HB   PRO  11          2HB       PRO  11 -18.671   1.124   0.675
   77   1HG   PRO  11          2HG       PRO  11 -18.735  -1.689  -0.316
   78   2HG   PRO  11          1HG       PRO  11 -20.053  -0.693   0.324
   79   1HD   PRO  11          1HD       PRO  11 -19.565  -1.236  -2.410
   80   2HD   PRO  11          2HD       PRO  11 -20.659   0.011  -1.771
   81    H    VAL  12           H        VAL  12 -15.271   1.534  -0.467
   82    HA   VAL  12           HA       VAL  12 -13.906  -0.004  -2.543
   83    HB   VAL  12           HB       VAL  12 -12.549   1.101  -0.096
   84   1HG1  VAL  12          1HG1      VAL  12 -11.463  -0.206  -2.087
   85   2HG1  VAL  12          2HG1      VAL  12 -11.670   1.309  -2.966
   86   3HG1  VAL  12          3HG1      VAL  12 -10.683   1.264  -1.505
   87   1HG2  VAL  12          1HG2      VAL  12 -13.678   2.653  -2.443
   88   2HG2  VAL  12          2HG2      VAL  12 -14.016   2.906  -0.731
   89   3HG2  VAL  12          3HG2      VAL  12 -12.422   3.287  -1.381
   90    H    GLU  13           H        GLU  13 -12.756  -1.935  -2.244
   91    HA   GLU  13           HA       GLU  13 -12.719  -3.188   0.431
   92   1HB   GLU  13          1HB       GLU  13 -13.745  -5.296  -0.531
   93   2HB   GLU  13          2HB       GLU  13 -14.868  -3.947  -0.358
   94   1HG   GLU  13          1HG       GLU  13 -14.017  -3.421  -2.840
   95   2HG   GLU  13          2HG       GLU  13 -13.733  -5.161  -2.835
   96    H    CYS  14           H        CYS  14 -10.900  -4.450   0.650
   97    HA   CYS  14           HA       CYS  14  -8.731  -4.328  -1.056
   98   1HB   CYS  14          1HB       CYS  14  -8.803  -5.368   1.259
   99   2HB   CYS  14          2HB       CYS  14  -9.412  -6.836   0.494
  100    HA   PRO  15           HA       PRO  15 -10.418  -6.745  -4.458
  101   1HB   PRO  15          1HB       PRO  15  -8.576  -5.847  -6.288
  102   2HB   PRO  15          2HB       PRO  15 -10.026  -4.933  -5.835
  103   1HG   PRO  15          2HG       PRO  15  -7.188  -4.442  -5.076
  104   2HG   PRO  15          1HG       PRO  15  -8.537  -3.298  -5.170
  105   1HD   PRO  15          1HD       PRO  15  -7.481  -4.458  -2.799
  106   2HD   PRO  15          2HD       PRO  15  -8.992  -3.533  -2.938
  107    H    LEU  16           H        LEU  16  -7.515  -6.977  -2.756
  108    HA   LEU  16           HA       LEU  16  -6.347  -9.066  -4.499
  109   1HB   LEU  16          1HB       LEU  16  -5.320  -8.154  -1.806
  110   2HB   LEU  16          2HB       LEU  16  -4.419  -8.946  -3.098
  111    HG   LEU  16           HG       LEU  16  -5.674  -6.545  -4.100
  112   1HD1  LEU  16          1HD1      LEU  16  -4.638  -6.390  -1.395
  113   2HD1  LEU  16          2HD1      LEU  16  -3.689  -5.379  -2.485
  114   3HD1  LEU  16          3HD1      LEU  16  -5.432  -5.140  -2.354
  115   1HD2  LEU  16          1HD2      LEU  16  -3.081  -7.927  -4.065
  116   2HD2  LEU  16          2HD2      LEU  16  -3.839  -6.995  -5.357
  117   3HD2  LEU  16          3HD2      LEU  16  -2.932  -6.170  -4.091
  118    H    CYS  17           H        CYS  17  -8.164  -8.749  -1.518
  119    HA   CYS  17           HA       CYS  17  -8.280 -11.721  -1.390
  120   1HB   CYS  17          1HB       CYS  17  -7.828 -11.800   0.935
  121   2HB   CYS  17          2HB       CYS  17  -6.618 -10.688   0.299
  122    H    MET  18           H        MET  18  -9.961  -9.063  -1.924
  123    HA   MET  18           HA       MET  18 -12.212  -8.472  -1.732
  124   1HB   MET  18          1HB       MET  18 -12.124 -11.207  -2.138
  125   2HB   MET  18          2HB       MET  18 -13.121 -11.060  -0.691
  126   1HG   MET  18          1HG       MET  18 -14.426  -9.252  -1.945
  127   2HG   MET  18          2HG       MET  18 -13.580  -9.792  -3.395
  128   1HE   MET  18          1HE       MET  18 -15.955 -10.038  -0.856
  129   2HE   MET  18          2HE       MET  18 -17.195 -10.401  -2.055
  130   3HE   MET  18          3HE       MET  18 -16.743 -11.614  -0.848
  131    H    GLU  19           H        GLU  19 -11.844  -7.082   0.096
  132    HA   GLU  19           HA       GLU  19 -13.056  -8.132   2.591
  133   1HB   GLU  19          1HB       GLU  19 -10.248  -7.265   2.256
  134   2HB   GLU  19          2HB       GLU  19 -11.087  -6.552   3.634
  135   1HG   GLU  19          1HG       GLU  19 -11.847  -9.243   3.677
  136   2HG   GLU  19          2HG       GLU  19 -10.133  -9.280   3.271
  137    HA   PRO  20           HA       PRO  20 -15.007  -4.202   2.472
  138   1HB   PRO  20          1HB       PRO  20 -15.786  -4.055   5.106
  139   2HB   PRO  20          2HB       PRO  20 -16.579  -5.085   3.901
  140   1HG   PRO  20          2HG       PRO  20 -14.723  -5.861   6.104
  141   2HG   PRO  20          1HG       PRO  20 -15.997  -6.812   5.322
  142   1HD   PRO  20          1HD       PRO  20 -13.225  -7.035   4.815
  143   2HD   PRO  20          2HD       PRO  20 -14.525  -7.709   3.809
  144    H    LEU  21           H        LEU  21 -14.109  -2.186   2.501
  145    HA   LEU  21           HA       LEU  21 -11.955  -1.625   4.486
  146   1HB   LEU  21          1HB       LEU  21 -12.620  -0.435   1.783
  147   2HB   LEU  21          2HB       LEU  21 -11.449   0.297   2.882
  148    HG   LEU  21           HG       LEU  21 -11.260  -2.610   2.099
  149   1HD1  LEU  21          1HD1      LEU  21 -11.276  -0.987   0.094
  150   2HD1  LEU  21          2HD1      LEU  21  -9.752  -0.374   0.738
  151   3HD1  LEU  21          3HD1      LEU  21  -9.886  -2.061   0.243
  152   1HD2  LEU  21          1HD2      LEU  21  -9.256  -0.545   3.059
  153   2HD2  LEU  21          2HD2      LEU  21  -9.966  -1.823   4.046
  154   3HD2  LEU  21          3HD2      LEU  21  -8.892  -2.235   2.708
  155    H    GLU  22           H        GLU  22 -12.165   0.109   5.894
  156    HA   GLU  22           HA       GLU  22 -14.839   1.397   5.977
  157   1HB   GLU  22          1HB       GLU  22 -13.108   0.404   7.959
  158   2HB   GLU  22          2HB       GLU  22 -13.041   2.160   8.124
  159   1HG   GLU  22          1HG       GLU  22 -15.579   2.153   8.043
  160   2HG   GLU  22          2HG       GLU  22 -15.501   0.397   8.188
  161    H    ILE  23           H        ILE  23 -14.108   3.760   7.336
  162    HA   ILE  23           HA       ILE  23 -13.236   5.381   5.086
  163    HB   ILE  23           HB       ILE  23 -13.996   5.959   7.948
  164   1HG1  ILE  23          1HG1      ILE  23 -15.838   7.147   6.886
  165   2HG1  ILE  23          2HG1      ILE  23 -15.123   6.897   5.293
  166   1HG2  ILE  23          1HG2      ILE  23 -12.132   7.480   7.330
  167   2HG2  ILE  23          2HG2      ILE  23 -13.030   7.973   5.893
  168   3HG2  ILE  23          3HG2      ILE  23 -13.658   8.348   7.498
  169   1HD1  ILE  23          1HD1      ILE  23 -15.782   4.557   7.074
  170   2HD1  ILE  23          2HD1      ILE  23 -17.013   5.282   6.040
  171   3HD1  ILE  23          3HD1      ILE  23 -15.561   4.581   5.325
  172    H    ASP  24           H        ASP  24 -11.804   4.463   8.222
  173    HA   ASP  24           HA       ASP  24  -9.326   5.910   7.599
  174   1HB   ASP  24          1HB       ASP  24 -10.216   4.159   9.893
  175   2HB   ASP  24          2HB       ASP  24  -8.556   4.740   9.755
  176    H    ASP  25           H        ASP  25 -10.392   3.392   6.066
  177    HA   ASP  25           HA       ASP  25  -7.733   2.038   6.053
  178   1HB   ASP  25          2HB       ASP  25 -10.374   0.580   5.803
  179   2HB   ASP  25          1HB       ASP  25  -8.766  -0.137   5.909
  180    H    ILE  26           H        ILE  26  -9.963   3.753   4.309
  181    HA   ILE  26           HA       ILE  26  -9.767   2.244   1.804
  182    HB   ILE  26           HB       ILE  26 -10.972   4.894   2.601
  183   1HG1  ILE  26          1HG1      ILE  26 -12.308   2.666   1.093
  184   2HG1  ILE  26          2HG1      ILE  26 -12.023   2.485   2.824
  185   1HG2  ILE  26          1HG2      ILE  26 -10.479   3.822  -0.184
  186   2HG2  ILE  26          2HG2      ILE  26 -11.758   4.986   0.164
  187   3HG2  ILE  26          3HG2      ILE  26 -10.072   5.415   0.453
  188   1HD1  ILE  26          1HD1      ILE  26 -13.061   5.114   2.340
  189   2HD1  ILE  26          2HD1      ILE  26 -14.109   3.939   1.544
  190   3HD1  ILE  26          3HD1      ILE  26 -13.787   3.806   3.273
  191    H    ASN  27           H        ASN  27  -7.826   4.479   3.496
  192    HA   ASN  27           HA       ASN  27  -6.309   5.083   0.984
  193   1HB   ASN  27          1HB       ASN  27  -5.394   7.026   2.459
  194   2HB   ASN  27          2HB       ASN  27  -7.015   7.184   1.779
  195   2HD2  ASN  27          2HD2      ASN  27  -8.440   7.982   3.322
  196   1HD2  ASN  27          1HD2      ASN  27  -8.412   7.594   4.975
  197    H    PHE  28           H        PHE  28  -6.268   3.121   3.613
  198    HA   PHE  28           HA       PHE  28  -3.445   3.466   4.344
  199   1HB   PHE  28          1HB       PHE  28  -5.093   2.695   6.030
  200   2HB   PHE  28          2HB       PHE  28  -5.388   1.248   5.065
  201    HD1  PHE  28           HD1      PHE  28  -3.259  -0.167   4.430
  202    HD2  PHE  28           HD2      PHE  28  -3.410   2.660   7.662
  203    HE1  PHE  28           HE1      PHE  28  -1.296  -1.261   5.471
  204    HE2  PHE  28           HE2      PHE  28  -1.449   1.561   8.709
  205    HZ   PHE  28           HZ       PHE  28  -0.392  -0.398   7.616
  206    H    PHE  29           H        PHE  29  -2.001   2.861   2.795
  207    HA   PHE  29           HA       PHE  29  -2.074   0.074   1.859
  208   1HB   PHE  29          1HB       PHE  29  -1.776   0.761  -0.535
  209   2HB   PHE  29          2HB       PHE  29  -3.375   1.137   0.102
  210    HD1  PHE  29           HD1      PHE  29   0.054   2.739  -0.116
  211    HD2  PHE  29           HD2      PHE  29  -4.222   3.236  -0.307
  212    HE1  PHE  29           HE1      PHE  29   0.338   5.144  -0.663
  213    HE2  PHE  29           HE2      PHE  29  -3.931   5.625  -0.844
  214    HZ   PHE  29           HZ       PHE  29  -1.647   6.586  -1.026
  215    HA   PRO  30           HA       PRO  30   2.252   0.677   2.028
  216   1HB   PRO  30          1HB       PRO  30   3.044  -1.290   0.283
  217   2HB   PRO  30          2HB       PRO  30   2.462  -1.613   1.924
  218   1HG   PRO  30          2HG       PRO  30   1.084  -2.061  -0.674
  219   2HG   PRO  30          1HG       PRO  30   0.816  -2.847   0.891
  220   1HD   PRO  30          1HD       PRO  30  -0.781  -0.793  -0.254
  221   2HD   PRO  30          2HD       PRO  30  -0.881  -1.408   1.410
  222    H    CYS  31           H        CYS  31   2.290  -0.480  -1.294
  223    HA   CYS  31           HA       CYS  31   3.985   1.452  -2.330
  224   1HB   CYS  31          1HB       CYS  31   2.991  -0.611  -3.508
  225   2HB   CYS  31          2HB       CYS  31   1.646   0.444  -3.948
  226    H    THR  32           H        THR  32   3.783   3.553  -3.082
  227    HA   THR  32           HA       THR  32   1.318   4.970  -2.289
  228    HB   THR  32           HB       THR  32   3.587   5.868  -1.717
  229    HG1  THR  32           HG1      THR  32   2.132   7.439  -1.732
  230   1HG2  THR  32          1HG2      THR  32   4.336   5.125  -4.180
  231   2HG2  THR  32          2HG2      THR  32   3.910   6.801  -4.528
  232   3HG2  THR  32          3HG2      THR  32   5.139   6.436  -3.315
  233    H    CYS  33           H        CYS  33   1.277   3.192  -4.686
  234    HA   CYS  33           HA       CYS  33   1.007   5.194  -6.866
  235   1HB   CYS  33          2HB       CYS  33   0.847   3.305  -8.382
  236   2HB   CYS  33          1HB       CYS  33   2.227   3.053  -7.315
  237    H    GLY  34           H        GLY  34  -0.881   3.686  -4.506
  238   1HA   GLY  34          2HA       GLY  34  -3.347   4.350  -6.062
  239   2HA   GLY  34          1HA       GLY  34  -3.207   4.535  -4.312
  240    H    TYR  35           H        TYR  35  -1.897   1.686  -5.910
  241    HA   TYR  35           HA       TYR  35  -4.123  -0.029  -5.857
  242   1HB   TYR  35          1HB       TYR  35  -1.538  -0.431  -6.468
  243   2HB   TYR  35          2HB       TYR  35  -1.535  -1.138  -4.852
  244    HD1  TYR  35           HD1      TYR  35  -4.130  -1.044  -7.554
  245    HD2  TYR  35           HD2      TYR  35  -1.629  -3.474  -5.045
  246    HE1  TYR  35           HE1      TYR  35  -5.216  -3.086  -8.451
  247    HE2  TYR  35           HE2      TYR  35  -2.717  -5.517  -5.941
  248    HH   TYR  35           HH       TYR  35  -3.958  -6.219  -7.926
  249    H    GLN  36           H        GLN  36  -5.458   0.442  -4.079
  250    HA   GLN  36           HA       GLN  36  -4.440   0.464  -1.362
  251   1HB   GLN  36          1HB       GLN  36  -6.699   1.420  -2.582
  252   2HB   GLN  36          2HB       GLN  36  -7.325   0.009  -1.726
  253   1HG   GLN  36          1HG       GLN  36  -5.474   1.881  -0.296
  254   2HG   GLN  36          2HG       GLN  36  -7.164   2.335  -0.495
  255   2HE2  GLN  36          2HE2      GLN  36  -5.902   1.674   2.062
  256   1HE2  GLN  36          1HE2      GLN  36  -6.687   0.292   2.662
  257    H    ILE  37           H        ILE  37  -4.489  -1.148   0.152
  258    HA   ILE  37           HA       ILE  37  -5.776  -3.728  -0.567
  259    HB   ILE  37           HB       ILE  37  -3.851  -5.009  -0.250
  260   1HG1  ILE  37          1HG1      ILE  37  -2.520  -2.648   1.120
  261   2HG1  ILE  37          2HG1      ILE  37  -3.297  -3.983   1.972
  262   1HG2  ILE  37          1HG2      ILE  37  -3.715  -3.098  -2.115
  263   2HG2  ILE  37          2HG2      ILE  37  -2.335  -2.597  -1.138
  264   3HG2  ILE  37          3HG2      ILE  37  -2.381  -4.216  -1.835
  265   1HD1  ILE  37          1HD1      ILE  37  -1.662  -5.323   0.223
  266   2HD1  ILE  37          2HD1      ILE  37  -0.692  -3.899   0.598
  267   3HD1  ILE  37          3HD1      ILE  37  -1.246  -4.954   1.897
  268    H    CYS  38           H        CYS  38  -5.703  -5.191   1.513
  269    HA   CYS  38           HA       CYS  38  -6.634  -3.482   3.733
  270   1HB   CYS  38          1HB       CYS  38  -7.659  -5.444   4.623
  271   2HB   CYS  38          2HB       CYS  38  -7.916  -5.527   2.882
  272    H    ARG  39           H        ARG  39  -5.883  -4.029   5.975
  273    HA   ARG  39           HA       ARG  39  -3.010  -4.034   6.107
  274   1HB   ARG  39          1HB       ARG  39  -5.131  -4.408   8.237
  275   2HB   ARG  39          2HB       ARG  39  -3.408  -4.273   8.589
  276   1HG   ARG  39          1HG       ARG  39  -3.751  -2.124   6.956
  277   2HG   ARG  39          2HG       ARG  39  -5.327  -2.188   7.746
  278   1HD   ARG  39          1HD       ARG  39  -2.827  -2.451   9.390
  279   2HD   ARG  39          2HD       ARG  39  -3.377  -0.853   8.885
  280    HE   ARG  39           HE       ARG  39  -5.000  -1.029  10.571
  281   1HH1  ARG  39          1HH1      ARG  39  -7.075  -2.564  10.088
  282   2HH1  ARG  39          2HH1      ARG  39  -6.843  -4.112  10.830
  283   1HH2  ARG  39          1HH2      ARG  39  -3.423  -3.716  11.219
  284   2HH2  ARG  39          2HH2      ARG  39  -4.779  -4.764  11.469
  285    H    PHE  40           H        PHE  40  -5.280  -6.557   5.817
  286    HA   PHE  40           HA       PHE  40  -3.611  -8.576   7.157
  287   1HB   PHE  40          1HB       PHE  40  -6.335  -8.391   6.208
  288   2HB   PHE  40          2HB       PHE  40  -5.568  -9.838   5.555
  289    HD1  PHE  40           HD1      PHE  40  -4.880  -8.105   8.790
  290    HD2  PHE  40           HD2      PHE  40  -6.481 -11.591   6.856
  291    HE1  PHE  40           HE1      PHE  40  -5.106  -9.222  10.991
  292    HE2  PHE  40           HE2      PHE  40  -6.706 -12.708   9.059
  293    HZ   PHE  40           HZ       PHE  40  -6.019 -11.525  11.126
  294    H    CYS  41           H        CYS  41  -3.866  -7.152   4.041
  295    HA   CYS  41           HA       CYS  41  -2.658  -9.481   2.681
  296   1HB   CYS  41          1HB       CYS  41  -3.860  -6.888   1.816
  297   2HB   CYS  41          2HB       CYS  41  -2.640  -7.610   0.767
  298    H    TRP  42           H        TRP  42  -1.759  -6.302   3.902
  299    HA   TRP  42           HA       TRP  42   0.878  -6.347   2.644
  300   1HB   TRP  42          1HB       TRP  42  -0.042  -4.181   3.111
  301   2HB   TRP  42          2HB       TRP  42  -0.365  -4.610   4.790
  302    HD1  TRP  42           HD1      TRP  42   2.695  -4.331   2.431
  303    HE1  TRP  42           HE1      TRP  42   4.696  -3.475   3.816
  304    HE3  TRP  42           HE3      TRP  42   0.536  -4.094   7.055
  305    HZ2  TRP  42           HZ2      TRP  42   5.301  -2.784   6.525
  306    HZ3  TRP  42           HZ3      TRP  42   1.846  -3.333   9.016
  307    HH2  TRP  42           HH2      TRP  42   4.223  -2.679   8.757
  308    H    HIS  43           H        HIS  43  -0.470  -7.141   5.825
  309    HA   HIS  43           HA       HIS  43   2.101  -7.611   7.072
  310   1HB   HIS  43          1HB       HIS  43  -0.758  -8.104   7.755
  311   2HB   HIS  43          2HB       HIS  43   0.442  -9.097   8.582
  312    HD1  HIS  43           HD1      HIS  43   1.888  -7.976  10.353
  313    HD2  HIS  43           HD2      HIS  43  -0.455  -5.253   8.238
  314    HE1  HIS  43           HE1      HIS  43   2.097  -5.761  11.562
  315    H    ARG  44           H        ARG  44   0.511  -9.251   4.632
  316    HA   ARG  44           HA       ARG  44   1.796 -11.839   5.411
  317   1HB   ARG  44          1HB       ARG  44  -0.670 -11.237   3.769
  318   2HB   ARG  44          2HB       ARG  44   0.149 -12.797   3.677
  319   1HG   ARG  44          1HG       ARG  44  -0.720 -11.583   6.306
  320   2HG   ARG  44          2HG       ARG  44  -1.772 -12.636   5.360
  321   1HD   ARG  44          1HD       ARG  44   0.676 -13.986   5.433
  322   2HD   ARG  44          2HD       ARG  44   0.482 -13.339   7.062
  323    HE   ARG  44           HE       ARG  44  -1.047 -15.501   5.932
  324   1HH1  ARG  44          1HH1      ARG  44  -3.469 -14.319   6.182
  325   2HH1  ARG  44          2HH1      ARG  44  -3.828 -14.190   7.871
  326   1HH2  ARG  44          1HH2      ARG  44  -0.541 -14.640   8.876
  327   2HH2  ARG  44          2HH2      ARG  44  -2.172 -14.372   9.396
  328    H    ILE  45           H        ILE  45   1.674  -9.272   3.099
  329    HA   ILE  45           HA       ILE  45   3.085 -10.833   1.028
  330    HB   ILE  45           HB       ILE  45   2.076  -7.989   1.205
  331   1HG1  ILE  45          1HG1      ILE  45   1.539 -10.103  -0.889
  332   2HG1  ILE  45          2HG1      ILE  45   0.610 -10.026   0.608
  333   1HG2  ILE  45          1HG2      ILE  45   3.862  -9.235  -0.904
  334   2HG2  ILE  45          2HG2      ILE  45   2.927  -7.763  -1.166
  335   3HG2  ILE  45          3HG2      ILE  45   4.193  -7.797   0.061
  336   1HD1  ILE  45          1HD1      ILE  45   0.424  -7.449  -0.088
  337   2HD1  ILE  45          2HD1      ILE  45   0.650  -8.133  -1.698
  338   3HD1  ILE  45          3HD1      ILE  45  -0.707  -8.657  -0.701
  339    H    ARG  46           H        ARG  46   3.766  -8.227   3.352
  340    HA   ARG  46           HA       ARG  46   6.564  -8.062   2.455
  341   1HB   ARG  46          1HB       ARG  46   5.465  -6.011   3.196
  342   2HB   ARG  46          2HB       ARG  46   5.111  -6.738   4.764
  343   1HG   ARG  46          1HG       ARG  46   7.487  -6.926   5.266
  344   2HG   ARG  46          2HG       ARG  46   7.906  -6.339   3.656
  345   1HD   ARG  46          1HD       ARG  46   6.303  -4.318   4.462
  346   2HD   ARG  46          2HD       ARG  46   6.934  -4.834   6.027
  347    HE   ARG  46           HE       ARG  46   9.058  -4.561   4.083
  348   1HH1  ARG  46          1HH1      ARG  46   7.097  -2.070   4.312
  349   2HH1  ARG  46          2HH1      ARG  46   8.067  -1.062   5.332
  350   1HH2  ARG  46          1HH2      ARG  46  10.253  -3.606   6.213
  351   2HH2  ARG  46          2HH2      ARG  46   9.854  -1.932   6.410
  352    H    THR  47           H        THR  47   4.724  -9.810   4.812
  353    HA   THR  47           HA       THR  47   7.108 -10.408   6.450
  354    HB   THR  47           HB       THR  47   4.738 -10.106   7.385
  355    HG1  THR  47           HG1      THR  47   5.445 -12.579   8.266
  356   1HG2  THR  47          1HG2      THR  47   3.635 -11.505   5.640
  357   2HG2  THR  47          2HG2      THR  47   4.449 -12.922   6.301
  358   3HG2  THR  47          3HG2      THR  47   3.267 -12.050   7.276
  359    H    ASP  48           H        ASP  48   4.833 -12.170   4.332
  360    HA   ASP  48           HA       ASP  48   6.652 -14.514   4.375
  361   1HB   ASP  48          1HB       ASP  48   3.937 -14.387   4.383
  362   2HB   ASP  48          2HB       ASP  48   4.238 -14.536   2.651
  363    H    GLU  49           H        GLU  49   5.252 -12.175   2.081
  364    HA   GLU  49           HA       GLU  49   6.881 -13.259  -0.115
  365   1HB   GLU  49          1HB       GLU  49   4.479 -11.872   0.003
  366   2HB   GLU  49          2HB       GLU  49   5.621 -10.658  -0.577
  367   1HG   GLU  49          2HG       GLU  49   5.426 -11.584  -2.621
  368   2HG   GLU  49          1HG       GLU  49   6.288 -12.986  -1.985
  369    H    ASN  50           H        ASN  50   7.398 -10.637  -1.318
  370    HA   ASN  50           HA       ASN  50   9.801  -9.951   0.288
  371   1HB   ASN  50          1HB       ASN  50   9.704 -10.477  -2.307
  372   2HB   ASN  50          2HB       ASN  50   9.242  -8.779  -2.414
  373   2HD2  ASN  50          2HD2      ASN  50  10.821  -7.161  -1.679
  374   1HD2  ASN  50          1HD2      ASN  50  12.459  -7.565  -1.490
  375    H    GLY  51           H        GLY  51   6.763  -8.614  -0.822
  376   1HA   GLY  51          2HA       GLY  51   7.317  -6.200   0.826
  377   2HA   GLY  51          1HA       GLY  51   5.714  -6.767   0.357
  378    H    LEU  52           H        LEU  52   6.477  -7.203  -2.453
  379    HA   LEU  52           HA       LEU  52   7.133  -4.442  -3.347
  380   1HB   LEU  52          1HB       LEU  52   7.082  -7.129  -4.724
  381   2HB   LEU  52          2HB       LEU  52   7.117  -5.631  -5.653
  382    HG   LEU  52           HG       LEU  52   9.165  -6.580  -3.631
  383   1HD1  LEU  52          1HD1      LEU  52   9.038  -6.258  -6.613
  384   2HD1  LEU  52          2HD1      LEU  52  10.588  -6.053  -5.795
  385   3HD1  LEU  52          3HD1      LEU  52   9.716  -7.580  -5.662
  386   1HD2  LEU  52          1HD2      LEU  52   8.656  -3.885  -4.871
  387   2HD2  LEU  52          2HD2      LEU  52   9.119  -4.276  -3.214
  388   3HD2  LEU  52          3HD2      LEU  52  10.310  -4.381  -4.511
  389    H    CYS  53           H        CYS  53   5.827  -3.708  -5.316
  390    HA   CYS  53           HA       CYS  53   2.965  -3.961  -4.651
  391   1HB   CYS  53          1HB       CYS  53   3.962  -1.724  -5.020
  392   2HB   CYS  53          2HB       CYS  53   4.377  -2.193  -6.668
  393    HA   PRO  54           HA       PRO  54   2.694  -6.864  -8.079
  394   1HB   PRO  54          1HB       PRO  54   0.157  -7.711  -7.448
  395   2HB   PRO  54          2HB       PRO  54   1.616  -8.323  -6.647
  396   1HG   PRO  54          2HG       PRO  54  -0.438  -6.428  -5.609
  397   2HG   PRO  54          1HG       PRO  54   0.638  -7.516  -4.717
  398   1HD   PRO  54          1HD       PRO  54   0.994  -4.721  -5.049
  399   2HD   PRO  54          2HD       PRO  54   2.201  -5.867  -4.427
  400    H    ALA  55           H        ALA  55   1.416  -3.889  -7.704
  401    HA   ALA  55           HA       ALA  55  -0.450  -4.157 -10.018
  402   1HB   ALA  55          1HB       ALA  55  -0.423  -2.317  -7.634
  403   2HB   ALA  55          3HB       ALA  55  -1.245  -1.838  -9.120
  404   3HB   ALA  55          2HB       ALA  55  -1.748  -3.296  -8.265
  405    H    CYS  56           H        CYS  56   2.429  -2.532  -8.818
  406    HA   CYS  56           HA       CYS  56   2.805  -1.418 -11.530
  407   1HB   CYS  56          1HB       CYS  56   2.836   0.822 -10.952
  408   2HB   CYS  56          2HB       CYS  56   1.600   0.238  -9.844
  409    H    ARG  57           H        ARG  57   4.087  -3.270  -9.289
  410    HA   ARG  57           HA       ARG  57   6.286  -3.887  -8.721
  411   1HB   ARG  57          2HB       ARG  57   7.145  -2.136 -11.035
  412   2HB   ARG  57          1HB       ARG  57   7.948  -3.575 -10.405
  413   1HG   ARG  57          1HG       ARG  57   5.318  -4.374 -11.061
  414   2HG   ARG  57          2HG       ARG  57   5.884  -3.394 -12.414
  415   1HD   ARG  57          1HD       ARG  57   6.928  -5.285 -13.107
  416   2HD   ARG  57          2HD       ARG  57   8.101  -4.924 -11.840
  417    HE   ARG  57           HE       ARG  57   5.768  -6.753 -11.432
  418   1HH1  ARG  57          1HH1      ARG  57   6.586  -6.505  -8.860
  419   2HH1  ARG  57          2HH1      ARG  57   8.029  -7.446  -8.670
  420   1HH2  ARG  57          1HH2      ARG  57   8.679  -7.621 -12.072
  421   2HH2  ARG  57          2HH2      ARG  57   9.215  -8.078 -10.489
  422    H    LYS  58           H        LYS  58   6.188  -2.607  -6.760
  423    HA   LYS  58           HA       LYS  58   8.214  -0.496  -6.693
  424   1HB   LYS  58          1HB       LYS  58   5.349   0.128  -6.723
  425   2HB   LYS  58          2HB       LYS  58   6.177   0.783  -5.310
  426   1HG   LYS  58          1HG       LYS  58   7.780   1.153  -7.698
  427   2HG   LYS  58          2HG       LYS  58   6.179   1.864  -7.905
  428   1HD   LYS  58          1HD       LYS  58   6.640   3.535  -6.459
  429   2HD   LYS  58          2HD       LYS  58   7.271   2.410  -5.257
  430   1HE   LYS  58          1HE       LYS  58   9.407   2.854  -5.835
  431   2HE   LYS  58          2HE       LYS  58   9.055   2.653  -7.550
  432   1HZ   LYS  58          1HZ       LYS  58   7.852   4.957  -7.121
  433   2HZ   LYS  58          2HZ       LYS  58   9.048   5.068  -5.919
  434   3HZ   LYS  58          3HZ       LYS  58   9.490   4.857  -7.544
  435    HA   PRO  59           HA       PRO  59   8.568  -2.445  -2.747
  436   1HB   PRO  59          1HB       PRO  59  10.449  -0.733  -1.696
  437   2HB   PRO  59          2HB       PRO  59  10.824  -2.007  -2.870
  438   1HG   PRO  59          2HG       PRO  59  10.630   0.941  -3.294
  439   2HG   PRO  59          1HG       PRO  59  11.584  -0.260  -4.180
  440   1HD   PRO  59          1HD       PRO  59   9.150   0.876  -5.054
  441   2HD   PRO  59          2HD       PRO  59   9.923  -0.573  -5.732
  442    H    TYR  60           H        TYR  60   6.947  -2.198  -1.268
  443    HA   TYR  60           HA       TYR  60   5.359  -0.044  -0.673
  444   1HB   TYR  60          2HB       TYR  60   6.493  -1.918   1.427
  445   2HB   TYR  60          1HB       TYR  60   4.992  -1.002   1.549
  446    HD1  TYR  60           HD1      TYR  60   4.654  -1.546  -1.668
  447    HD2  TYR  60           HD2      TYR  60   5.026  -3.952   1.872
  448    HE1  TYR  60           HE1      TYR  60   3.424  -3.385  -2.788
  449    HE2  TYR  60           HE2      TYR  60   3.794  -5.789   0.752
  450    HH   TYR  60           HH       TYR  60   2.091  -5.344  -2.170
  451    HA   PRO  61           HA       PRO  61   8.155   2.921   1.099
  452   1HB   PRO  61          1HB       PRO  61   6.252   4.812   1.678
  453   2HB   PRO  61          2HB       PRO  61   6.871   4.523   0.043
  454   1HG   PRO  61          2HG       PRO  61   4.227   3.803   1.194
  455   2HG   PRO  61          1HG       PRO  61   4.684   4.038  -0.501
  456   1HD   PRO  61          1HD       PRO  61   4.339   1.547   0.852
  457   2HD   PRO  61          2HD       PRO  61   4.969   1.788  -0.791
  458    H    GLU  62           H        GLU  62   8.859   3.298   3.214
  459    HA   GLU  62           HA       GLU  62   7.201   2.174   5.396
  460   1HB   GLU  62          1HB       GLU  62  10.072   3.123   5.242
  461   2HB   GLU  62          2HB       GLU  62   9.305   2.648   6.759
  462   1HG   GLU  62          1HG       GLU  62   9.656   0.479   6.285
  463   2HG   GLU  62          2HG       GLU  62   8.747   0.646   4.782
  464    H    ASP  63           H        ASP  63   9.409   4.913   5.734
  465    HA   ASP  63           HA       ASP  63   9.037   6.945   6.878
  466   1HB   ASP  63          1HB       ASP  63   8.235   7.384   4.544
  467   2HB   ASP  63          2HB       ASP  63   6.606   6.952   5.066
  468    HA   PRO  64           HA       PRO  64   5.735   5.146   9.598
  469   1HB   PRO  64          1HB       PRO  64   7.382   4.697  11.753
  470   2HB   PRO  64          2HB       PRO  64   7.082   3.497  10.483
  471   1HG   PRO  64          2HG       PRO  64   9.508   5.168  10.950
  472   2HG   PRO  64          1HG       PRO  64   9.367   3.589  10.160
  473   1HD   PRO  64          1HD       PRO  64   9.640   6.080   8.844
  474   2HD   PRO  64          2HD       PRO  64   9.167   4.545   8.086
  475    H    ALA  65           H        ALA  65   8.056   7.690   9.715
  476    HA   ALA  65           HA       ALA  65   6.416   9.650  10.796
  477   1HB   ALA  65          1HB       ALA  65   7.589   7.873  12.878
  478   2HB   ALA  65          2HB       ALA  65   7.627   9.606  13.201
  479   3HB   ALA  65          3HB       ALA  65   6.087   8.798  12.905
  480    H    VAL  66           H        VAL  66   9.689   8.302  10.908
  481    HA   VAL  66           HA       VAL  66  10.748  10.860   9.922
  482    HB   VAL  66           HB       VAL  66  12.308  11.218  11.718
  483   1HG1  VAL  66          1HG1      VAL  66   9.949  12.005  12.066
  484   2HG1  VAL  66          2HG1      VAL  66   9.636  10.526  12.975
  485   3HG1  VAL  66          3HG1      VAL  66  10.813  11.696  13.572
  486   1HG2  VAL  66          1HG2      VAL  66  11.498   8.444  12.427
  487   2HG2  VAL  66          2HG2      VAL  66  13.075   9.222  12.559
  488   3HG2  VAL  66          3HG2      VAL  66  11.835   9.528  13.777
  489    H    TYR  67           H        TYR  67  12.051  10.216   8.288
  490    HA   TYR  67           HA       TYR  67  12.876   7.657   7.646
  491   1HB   TYR  67          1HB       TYR  67  14.510  10.184   7.253
  492   2HB   TYR  67          2HB       TYR  67  14.720   8.675   6.362
  493    HD1  TYR  67           HD1      TYR  67  12.908   7.845   4.856
  494    HD2  TYR  67           HD2      TYR  67  12.720  11.701   6.740
  495    HE1  TYR  67           HE1      TYR  67  11.134   8.535   3.267
  496    HE2  TYR  67           HE2      TYR  67  10.946  12.391   5.151
  497    HH   TYR  67           HH       TYR  67   9.977  11.846   3.129
  498    H    LYS  68           H        LYS  68  14.590   6.301   8.214
  499    HA   LYS  68           HA       LYS  68  16.630   7.263  10.114
  500   1HB   LYS  68          1HB       LYS  68  14.290   5.950  11.036
  501   2HB   LYS  68          2HB       LYS  68  15.606   4.781  11.150
  502   1HG   LYS  68          1HG       LYS  68  16.828   6.094  12.635
  503   2HG   LYS  68          2HG       LYS  68  16.067   7.591  12.095
  504   1HD   LYS  68          1HD       LYS  68  14.321   7.366  13.531
  505   2HD   LYS  68          2HD       LYS  68  14.199   5.628  13.257
  506   1HE   LYS  68          1HE       LYS  68  16.658   6.387  14.659
  507   2HE   LYS  68          2HE       LYS  68  15.199   6.820  15.550
  508   1HZ   LYS  68          1HZ       LYS  68  14.966   4.236  14.396
  509   2HZ   LYS  68          2HZ       LYS  68  16.350   4.329  15.377
  510   3HZ   LYS  68          3HZ       LYS  68  14.822   4.702  16.021
  511    HA   PRO  69           HA       PRO  69  18.941   4.304   7.823
  512   1HB   PRO  69          1HB       PRO  69  21.131   4.189   9.480
  513   2HB   PRO  69          2HB       PRO  69  20.802   5.543   8.385
  514   1HG   PRO  69          2HG       PRO  69  20.493   5.410  11.349
  515   2HG   PRO  69          1HG       PRO  69  20.791   6.816  10.314
  516   1HD   PRO  69          1HD       PRO  69  18.299   6.085  11.441
  517   2HD   PRO  69          2HD       PRO  69  18.552   7.281  10.151
  518    H    LEU  70           H        LEU  70  20.044   3.508  11.087
  519    HA   LEU  70           HA       LEU  70  19.886   1.522  12.328
  520   1HB   LEU  70          1HB       LEU  70  17.303   1.793  10.968
  521   2HB   LEU  70          2HB       LEU  70  17.732   0.113  11.290
  522    HG   LEU  70           HG       LEU  70  16.477   1.213  13.172
  523   1HD1  LEU  70          1HD1      LEU  70  19.312   0.249  13.622
  524   2HD1  LEU  70          2HD1      LEU  70  18.168   0.516  14.937
  525   3HD1  LEU  70          3HD1      LEU  70  17.827  -0.700  13.706
  526   1HD2  LEU  70          1HD2      LEU  70  18.045   3.373  12.651
  527   2HD2  LEU  70          2HD2      LEU  70  17.238   3.112  14.197
  528   3HD2  LEU  70          3HD2      LEU  70  18.931   2.660  13.998
  529    H    SER  71           H        SER  71  21.641   1.521  10.164
  530    HA   SER  71           HA       SER  71  22.112  -1.238   9.733
  531   1HB   SER  71          1HB       SER  71  20.225  -1.415   8.312
  532   2HB   SER  71          2HB       SER  71  20.529   0.154   7.572
  533    HG   SER  71           HG       SER  71  21.366  -1.187   6.116
  534    H    GLN  72           H        GLN  72  23.694   0.980  10.372
  535    HA   GLN  72           HA       GLN  72  25.814   1.830   9.815
  536   1HB   GLN  72          1HB       GLN  72  25.452  -0.479   8.082
  537   2HB   GLN  72          2HB       GLN  72  26.391   0.781   7.281
  538   1HG   GLN  72          1HG       GLN  72  26.991  -0.103  10.106
  539   2HG   GLN  72          2HG       GLN  72  27.712  -0.898   8.707
  540   2HE2  GLN  72          2HE2      GLN  72  28.803   1.059  10.906
  541   1HE2  GLN  72          1HE2      GLN  72  29.656   2.212   9.997
  542    H    GLU  73           H        GLU  73  26.878   3.124   7.901
  543    HA   GLU  73           HA       GLU  73  25.215   4.132   5.797
  544   1HB   GLU  73          1HB       GLU  73  24.349   5.096   8.186
  545   2HB   GLU  73          2HB       GLU  73  25.559   6.313   7.776
  546   1HG   GLU  73          1HG       GLU  73  24.218   5.897   5.376
  547   2HG   GLU  73          2HG       GLU  73  22.933   5.836   6.582
  548    H    GLU  74           H        GLU  74  26.242   6.157   4.818
  549    HA   GLU  74           HA       GLU  74  28.147   7.369   4.147
  550   1HB   GLU  74          1HB       GLU  74  28.468   7.218   6.839
  551   2HB   GLU  74          2HB       GLU  74  29.877   6.301   6.306
  552   1HG   GLU  74          1HG       GLU  74  30.767   8.121   5.112
  553   2HG   GLU  74          2HG       GLU  74  29.216   8.958   5.052
  554    H    LEU  75           H        LEU  75  29.807   6.831   2.722
  555    HA   LEU  75           HA       LEU  75  30.363   3.916   2.468
  556   1HB   LEU  75          1HB       LEU  75  31.194   4.555   0.184
  557   2HB   LEU  75          2HB       LEU  75  29.492   4.939   0.446
  558    HG   LEU  75           HG       LEU  75  31.376   7.076   1.229
  559   1HD1  LEU  75          1HD1      LEU  75  31.309   5.920  -1.520
  560   2HD1  LEU  75          2HD1      LEU  75  31.295   7.678  -1.383
  561   3HD1  LEU  75          3HD1      LEU  75  32.620   6.749  -0.682
  562   1HD2  LEU  75          1HD2      LEU  75  28.754   7.012   1.020
  563   2HD2  LEU  75          2HD2      LEU  75  29.629   8.455   0.506
  564   3HD2  LEU  75          3HD2      LEU  75  29.072   7.287  -0.692
  565    H    GLN  76           H        GLN  76  31.770   6.727   3.681
  566    HA   GLN  76           HA       GLN  76  33.993   7.318   4.192
  567   1HB   GLN  76          1HB       GLN  76  33.399   4.974   5.372
  568   2HB   GLN  76          2HB       GLN  76  34.725   4.434   4.341
  569   1HG   GLN  76          2HG       GLN  76  36.138   5.241   5.901
  570   2HG   GLN  76          1HG       GLN  76  35.616   6.857   5.427
  571   2HE2  GLN  76          2HE2      GLN  76  35.846   4.820   8.092
  572   1HE2  GLN  76          1HE2      GLN  76  34.671   5.546   9.080
  573    H    ARG  77           H        ARG  77  36.328   5.601   3.663
  574    HA   ARG  77           HA       ARG  77  36.369   5.498   0.692
  575   1HB   ARG  77          1HB       ARG  77  37.357   7.700   1.998
  576   2HB   ARG  77          2HB       ARG  77  38.793   6.683   1.886
  577   1HG   ARG  77          1HG       ARG  77  37.167   6.788  -0.577
  578   2HG   ARG  77          2HG       ARG  77  37.917   8.319  -0.123
  579   1HD   ARG  77          2HD       ARG  77  39.730   7.468  -1.215
  580   2HD   ARG  77          1HD       ARG  77  39.990   6.605   0.301
  581    HE   ARG  77           HE       ARG  77  38.533   4.763  -0.850
  582   1HH1  ARG  77          1HH1      ARG  77  39.151   6.934  -3.211
  583   2HH1  ARG  77          2HH1      ARG  77  40.142   5.911  -4.197
  584   1HH2  ARG  77          1HH2      ARG  77  40.462   3.443  -1.782
  585   2HH2  ARG  77          2HH2      ARG  77  40.885   3.936  -3.388
  586    H    ILE  78           H        ILE  78  36.309   3.342   2.527
  587    HA   ILE  78           HA       ILE  78  39.127   2.348   2.450
  588    HB   ILE  78           HB       ILE  78  38.070   0.547   4.026
  589   1HG1  ILE  78          1HG1      ILE  78  36.135   2.825   4.500
  590   2HG1  ILE  78          2HG1      ILE  78  35.728   1.439   3.487
  591   1HG2  ILE  78          1HG2      ILE  78  38.455   3.434   4.875
  592   2HG2  ILE  78          2HG2      ILE  78  38.438   2.055   5.974
  593   3HG2  ILE  78          3HG2      ILE  78  39.713   2.203   4.764
  594   1HD1  ILE  78          1HD1      ILE  78  36.364  -0.043   5.448
  595   2HD1  ILE  78          2HD1      ILE  78  36.450   1.421   6.427
  596   3HD1  ILE  78          3HD1      ILE  78  34.920   0.940   5.694

  No H/Q in entry =         596
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1 -30.678   4.287   2.090
    2    H2   MET   1           H2       MET   1 -31.389   2.971   1.285
    3    H3   MET   1           H3       MET   1 -31.496   3.088   2.973
    4    HA   MET   1           HA       MET   1 -29.835   1.511   2.645
    5   1HB   MET   1          1HB       MET   1 -29.643   2.045   0.183
    6   2HB   MET   1          2HB       MET   1 -28.583   3.385   0.620
    7   1HG   MET   1          1HG       MET   1 -27.341   1.476   2.004
    8   2HG   MET   1          2HG       MET   1 -28.085   0.444   0.783
    9   1HE   MET   1          1HE       MET   1 -25.063   0.547   1.153
   10   2HE   MET   1          2HE       MET   1 -25.842  -0.369  -0.145
   11   3HE   MET   1          3HE       MET   1 -24.471   0.678  -0.501
   12    H    SER   2           H        SER   2 -29.035   1.875   4.682
   13    HA   SER   2           HA       SER   2 -26.738   3.633   4.973
   14   1HB   SER   2          1HB       SER   2 -28.511   5.308   5.206
   15   2HB   SER   2          2HB       SER   2 -29.310   4.319   6.426
   16    HG   SER   2           HG       SER   2 -28.006   5.926   7.377
   17    H    ARG   3           H        ARG   3 -25.424   2.468   6.268
   18    HA   ARG   3           HA       ARG   3 -24.700   0.994   7.923
   19   1HB   ARG   3          1HB       ARG   3 -25.395   1.610   9.996
   20   2HB   ARG   3          2HB       ARG   3 -26.330   2.830   9.142
   21   1HG   ARG   3          1HG       ARG   3 -28.093   0.804   8.996
   22   2HG   ARG   3          2HG       ARG   3 -27.243   0.314  10.459
   23   1HD   ARG   3          1HD       ARG   3 -27.639   3.076  10.745
   24   2HD   ARG   3          2HD       ARG   3 -29.158   2.463  10.090
   25    HE   ARG   3           HE       ARG   3 -27.896   1.332  12.558
   26   1HH1  ARG   3          1HH1      ARG   3 -30.263  -0.002  11.147
   27   2HH1  ARG   3          2HH1      ARG   3 -31.586   0.588  12.096
   28   1HH2  ARG   3          1HH2      ARG   3 -29.735   3.116  13.582
   29   2HH2  ARG   3          2HH2      ARG   3 -31.287   2.354  13.476
   30    H    SER   4           H        SER   4 -26.647   0.104   5.759
   31    HA   SER   4           HA       SER   4 -27.771  -2.282   7.159
   32   1HB   SER   4          1HB       SER   4 -28.916  -2.454   4.755
   33   2HB   SER   4          2HB       SER   4 -29.579  -1.418   6.016
   34    HG   SER   4           HG       SER   4 -29.335   0.042   4.502
   35    HA   PRO   5           HA       PRO   5 -24.339  -4.278   5.060
   36   1HB   PRO   5          1HB       PRO   5 -24.597  -6.653   6.423
   37   2HB   PRO   5          2HB       PRO   5 -23.757  -5.234   7.072
   38   1HG   PRO   5          2HG       PRO   5 -26.449  -6.312   7.782
   39   2HG   PRO   5          1HG       PRO   5 -25.318  -5.375   8.773
   40   1HD   PRO   5          1HD       PRO   5 -27.619  -4.349   7.499
   41   2HD   PRO   5          2HD       PRO   5 -26.285  -3.384   8.167
   42    H    ASP   6           H        ASP   6 -27.631  -4.755   4.782
   43    HA   ASP   6           HA       ASP   6 -28.060  -7.277   3.690
   44   1HB   ASP   6          2HB       ASP   6 -29.097  -4.673   2.525
   45   2HB   ASP   6          1HB       ASP   6 -29.814  -6.270   2.310
   46    H    ALA   7           H        ALA   7 -26.183  -4.648   2.373
   47    HA   ALA   7           HA       ALA   7 -25.316  -6.446   0.170
   48   1HB   ALA   7          1HB       ALA   7 -26.885  -5.128  -1.017
   49   2HB   ALA   7          3HB       ALA   7 -26.454  -3.665  -0.133
   50   3HB   ALA   7          2HB       ALA   7 -25.342  -4.332  -1.327
   51    H    LYS   8           H        LYS   8 -23.399  -5.104  -1.027
   52    HA   LYS   8           HA       LYS   8 -21.268  -4.913   0.804
   53   1HB   LYS   8          1HB       LYS   8 -19.980  -3.967  -0.970
   54   2HB   LYS   8          2HB       LYS   8 -21.145  -5.034  -1.754
   55   1HG   LYS   8          1HG       LYS   8 -22.430  -2.527  -1.481
   56   2HG   LYS   8          2HG       LYS   8 -20.805  -2.187  -2.078
   57   1HD   LYS   8          2HD       LYS   8 -21.456  -2.840  -4.128
   58   2HD   LYS   8          1HD       LYS   8 -21.728  -4.464  -3.494
   59   1HE   LYS   8          1HE       LYS   8 -24.003  -3.670  -2.714
   60   2HE   LYS   8          2HE       LYS   8 -23.718  -2.187  -3.625
   61   1HZ   LYS   8          1HZ       LYS   8 -23.297  -3.649  -5.592
   62   2HZ   LYS   8          2HZ       LYS   8 -23.878  -4.955  -4.673
   63   3HZ   LYS   8          3HZ       LYS   8 -24.899  -3.645  -5.035
   64    H    GLU   9           H        GLU   9 -20.016  -2.841   1.308
   65    HA   GLU   9           HA       GLU   9 -21.859  -0.524   1.688
   66   1HB   GLU   9          2HB       GLU   9 -19.912  -1.504   3.792
   67   2HB   GLU   9          1HB       GLU   9 -21.119  -0.227   3.962
   68   1HG   GLU   9          1HG       GLU   9 -22.356  -1.930   4.874
   69   2HG   GLU   9          2HG       GLU   9 -22.724  -2.255   3.180
   70    H    ASP  10           H        ASP  10 -20.953   1.250   0.789
   71    HA   ASP  10           HA       ASP  10 -19.312   2.831   0.208
   72   1HB   ASP  10          1HB       ASP  10 -18.211   1.475   2.446
   73   2HB   ASP  10          2HB       ASP  10 -16.933   1.581   1.233
   74    HA   PRO  11           HA       PRO  11 -17.733   0.793  -3.380
   75   1HB   PRO  11          1HB       PRO  11 -16.531   2.991  -4.503
   76   2HB   PRO  11          2HB       PRO  11 -18.282   2.720  -4.514
   77   1HG   PRO  11          2HG       PRO  11 -16.692   4.637  -2.879
   78   2HG   PRO  11          1HG       PRO  11 -18.391   4.725  -3.374
   79   1HD   PRO  11          1HD       PRO  11 -17.424   3.947  -0.817
   80   2HD   PRO  11          2HD       PRO  11 -19.090   3.780  -1.410
   81    H    VAL  12           H        VAL  12 -16.037   0.668  -0.915
   82    HA   VAL  12           HA       VAL  12 -13.416   0.457  -2.293
   83    HB   VAL  12           HB       VAL  12 -13.530   1.547   0.507
   84   1HG1  VAL  12          1HG1      VAL  12 -11.531   0.914  -1.455
   85   2HG1  VAL  12          2HG1      VAL  12 -11.485   2.649  -1.136
   86   3HG1  VAL  12          3HG1      VAL  12 -11.303   1.503   0.192
   87   1HG2  VAL  12          1HG2      VAL  12 -14.162   2.958  -2.050
   88   2HG2  VAL  12          2HG2      VAL  12 -14.761   3.268  -0.421
   89   3HG2  VAL  12          3HG2      VAL  12 -13.145   3.802  -0.884
   90    H    GLU  13           H        GLU  13 -12.552  -1.520  -1.883
   91    HA   GLU  13           HA       GLU  13 -12.682  -2.782   0.716
   92   1HB   GLU  13          1HB       GLU  13 -13.960  -4.833  -0.404
   93   2HB   GLU  13          2HB       GLU  13 -14.852  -3.518   0.360
   94   1HG   GLU  13          1HG       GLU  13 -15.330  -2.487  -1.732
   95   2HG   GLU  13          2HG       GLU  13 -14.129  -3.466  -2.574
   96    H    CYS  14           H        CYS  14 -10.963  -4.174   0.840
   97    HA   CYS  14           HA       CYS  14  -8.979  -4.402  -1.065
   98   1HB   CYS  14          1HB       CYS  14  -9.046  -5.328   1.344
   99   2HB   CYS  14          2HB       CYS  14  -9.719  -6.789   0.620
  100    HA   PRO  15           HA       PRO  15 -11.347  -6.775  -4.086
  101   1HB   PRO  15          1HB       PRO  15  -9.817  -5.971  -6.217
  102   2HB   PRO  15          2HB       PRO  15 -11.142  -5.005  -5.549
  103   1HG   PRO  15          2HG       PRO  15  -8.206  -4.584  -5.293
  104   2HG   PRO  15          1HG       PRO  15  -9.522  -3.403  -5.184
  105   1HD   PRO  15          1HD       PRO  15  -8.108  -4.555  -2.998
  106   2HD   PRO  15          2HD       PRO  15  -9.591  -3.581  -2.901
  107    H    LEU  16           H        LEU  16  -8.180  -7.061  -2.913
  108    HA   LEU  16           HA       LEU  16  -7.416  -9.213  -4.795
  109   1HB   LEU  16          2HB       LEU  16  -5.900  -8.311  -2.338
  110   2HB   LEU  16          1HB       LEU  16  -5.272  -9.175  -3.740
  111    HG   LEU  16           HG       LEU  16  -6.118  -6.287  -3.536
  112   1HD1  LEU  16          1HD1      LEU  16  -3.725  -7.201  -3.168
  113   2HD1  LEU  16          2HD1      LEU  16  -3.715  -7.485  -4.909
  114   3HD1  LEU  16          3HD1      LEU  16  -3.921  -5.848  -4.285
  115   1HD2  LEU  16          1HD2      LEU  16  -5.727  -7.896  -6.084
  116   2HD2  LEU  16          2HD2      LEU  16  -7.258  -7.227  -5.522
  117   3HD2  LEU  16          3HD2      LEU  16  -5.947  -6.147  -6.002
  118    H    CYS  17           H        CYS  17  -8.705  -8.818  -1.562
  119    HA   CYS  17           HA       CYS  17  -8.748 -11.797  -1.330
  120   1HB   CYS  17          1HB       CYS  17  -8.138 -11.734   0.950
  121   2HB   CYS  17          2HB       CYS  17  -7.053 -10.565   0.202
  122    H    MET  18           H        MET  18 -10.519  -9.039  -1.640
  123    HA   MET  18           HA       MET  18 -12.794  -8.617  -1.428
  124   1HB   MET  18          1HB       MET  18 -12.786 -11.188  -1.996
  125   2HB   MET  18          2HB       MET  18 -13.242 -11.361  -0.300
  126   1HG   MET  18          1HG       MET  18 -14.920  -9.361  -1.045
  127   2HG   MET  18          2HG       MET  18 -14.789 -10.244  -2.567
  128   1HE   MET  18          1HE       MET  18 -16.990 -10.533  -2.665
  129   2HE   MET  18          2HE       MET  18 -16.727 -12.248  -2.970
  130   3HE   MET  18          3HE       MET  18 -17.988 -11.744  -1.849
  131    H    GLU  19           H        GLU  19 -12.776  -7.134   0.253
  132    HA   GLU  19           HA       GLU  19 -13.790  -8.006   2.822
  133   1HB   GLU  19          1HB       GLU  19 -10.899  -7.690   2.478
  134   2HB   GLU  19          2HB       GLU  19 -11.546  -6.665   3.760
  135   1HG   GLU  19          1HG       GLU  19 -12.838  -9.160   4.044
  136   2HG   GLU  19          2HG       GLU  19 -11.135  -9.527   3.768
  137    HA   PRO  20           HA       PRO  20 -15.139  -3.837   2.693
  138   1HB   PRO  20          1HB       PRO  20 -15.770  -3.499   5.346
  139   2HB   PRO  20          2HB       PRO  20 -16.756  -4.442   4.215
  140   1HG   PRO  20          2HG       PRO  20 -14.933  -5.407   6.371
  141   2HG   PRO  20          1HG       PRO  20 -16.359  -6.192   5.673
  142   1HD   PRO  20          1HD       PRO  20 -13.667  -6.816   5.065
  143   2HD   PRO  20          2HD       PRO  20 -15.092  -7.337   4.140
  144    H    LEU  21           H        LEU  21 -13.604  -2.266   2.371
  145    HA   LEU  21           HA       LEU  21 -11.313  -1.919   4.124
  146   1HB   LEU  21          1HB       LEU  21 -12.401  -0.573   1.685
  147   2HB   LEU  21          2HB       LEU  21 -11.262   0.330   2.683
  148    HG   LEU  21           HG       LEU  21 -10.695  -2.497   1.789
  149   1HD1  LEU  21          1HD1      LEU  21 -11.107  -1.028  -0.194
  150   2HD1  LEU  21          2HD1      LEU  21  -9.853   0.063   0.397
  151   3HD1  LEU  21          3HD1      LEU  21  -9.437  -1.580  -0.085
  152   1HD2  LEU  21          1HD2      LEU  21  -9.435  -1.350   3.693
  153   2HD2  LEU  21          2HD2      LEU  21  -8.438  -1.949   2.368
  154   3HD2  LEU  21          3HD2      LEU  21  -8.812  -0.229   2.481
  155    H    GLU  22           H        GLU  22 -11.168  -0.573   5.883
  156    HA   GLU  22           HA       GLU  22 -13.561   0.692   6.910
  157   1HB   GLU  22          1HB       GLU  22 -10.666   1.010   7.765
  158   2HB   GLU  22          2HB       GLU  22 -12.072   1.542   8.688
  159   1HG   GLU  22          1HG       GLU  22 -11.983  -1.311   7.798
  160   2HG   GLU  22          2HG       GLU  22 -10.948  -0.830   9.143
  161    H    ILE  23           H        ILE  23 -12.655   3.166   7.857
  162    HA   ILE  23           HA       ILE  23 -12.793   4.740   5.378
  163    HB   ILE  23           HB       ILE  23 -12.748   5.548   8.300
  164   1HG1  ILE  23          1HG1      ILE  23 -14.781   4.335   7.406
  165   2HG1  ILE  23          2HG1      ILE  23 -15.110   5.969   7.986
  166   1HG2  ILE  23          1HG2      ILE  23 -12.383   7.089   5.847
  167   2HG2  ILE  23          2HG2      ILE  23 -13.775   7.643   6.776
  168   3HG2  ILE  23          3HG2      ILE  23 -12.179   7.593   7.525
  169   1HD1  ILE  23          1HD1      ILE  23 -14.559   5.284   5.085
  170   2HD1  ILE  23          2HD1      ILE  23 -16.176   5.461   5.767
  171   3HD1  ILE  23          3HD1      ILE  23 -15.081   6.842   5.724
  172    H    ASP  24           H        ASP  24 -10.651   4.852   8.256
  173    HA   ASP  24           HA       ASP  24  -8.636   6.420   6.956
  174   1HB   ASP  24          2HB       ASP  24  -7.275   5.970   8.868
  175   2HB   ASP  24          1HB       ASP  24  -8.932   6.029   9.470
  176    H    ASP  25           H        ASP  25  -9.465   3.093   6.721
  177    HA   ASP  25           HA       ASP  25  -6.849   2.083   5.994
  178   1HB   ASP  25          1HB       ASP  25  -9.668   1.058   5.640
  179   2HB   ASP  25          2HB       ASP  25  -8.281   0.195   4.974
  180    H    ILE  26           H        ILE  26  -9.618   3.359   4.182
  181    HA   ILE  26           HA       ILE  26  -8.971   2.721   1.567
  182    HB   ILE  26           HB       ILE  26  -9.980   5.335   2.715
  183   1HG1  ILE  26          1HG1      ILE  26 -11.322   3.082   1.187
  184   2HG1  ILE  26          2HG1      ILE  26 -11.442   3.347   2.926
  185   1HG2  ILE  26          1HG2      ILE  26  -8.947   4.821   0.078
  186   2HG2  ILE  26          2HG2      ILE  26 -10.689   5.084  -0.022
  187   3HG2  ILE  26          3HG2      ILE  26  -9.653   6.308   0.713
  188   1HD1  ILE  26          1HD1      ILE  26 -12.254   5.411   0.863
  189   2HD1  ILE  26          2HD1      ILE  26 -13.382   4.270   1.594
  190   3HD1  ILE  26          3HD1      ILE  26 -12.557   5.462   2.599
  191    H    ASN  27           H        ASN  27  -7.721   5.608   3.290
  192    HA   ASN  27           HA       ASN  27  -5.823   6.244   1.215
  193   1HB   ASN  27          1HB       ASN  27  -6.107   7.087   4.103
  194   2HB   ASN  27          2HB       ASN  27  -4.783   7.662   3.089
  195   2HD2  ASN  27          2HD2      ASN  27  -5.258   9.255   1.488
  196   1HD2  ASN  27          1HD2      ASN  27  -6.802   9.930   1.283
  197    H    PHE  28           H        PHE  28  -5.705   4.186   4.065
  198    HA   PHE  28           HA       PHE  28  -2.820   3.951   4.106
  199   1HB   PHE  28          1HB       PHE  28  -4.005   3.391   6.122
  200   2HB   PHE  28          2HB       PHE  28  -5.017   2.219   5.271
  201    HD1  PHE  28           HD1      PHE  28  -4.095   0.061   4.514
  202    HD2  PHE  28           HD2      PHE  28  -1.694   2.884   6.689
  203    HE1  PHE  28           HE1      PHE  28  -2.390  -1.696   4.909
  204    HE2  PHE  28           HE2      PHE  28   0.009   1.127   7.087
  205    HZ   PHE  28           HZ       PHE  28  -0.338  -1.163   6.199
  206    H    PHE  29           H        PHE  29  -1.572   2.788   2.740
  207    HA   PHE  29           HA       PHE  29  -2.552   0.271   1.612
  208   1HB   PHE  29          1HB       PHE  29  -1.816   1.172  -0.751
  209   2HB   PHE  29          2HB       PHE  29  -3.445   1.483  -0.159
  210    HD1  PHE  29           HD1      PHE  29  -0.103   3.075   0.551
  211    HD2  PHE  29           HD2      PHE  29  -4.152   3.588  -0.802
  212    HE1  PHE  29           HE1      PHE  29   0.269   5.517   0.353
  213    HE2  PHE  29           HE2      PHE  29  -3.776   6.028  -1.000
  214    HZ   PHE  29           HZ       PHE  29  -1.565   6.995  -0.424
  215    HA   PRO  30           HA       PRO  30   1.747  -0.584   1.637
  216   1HB   PRO  30          1HB       PRO  30   1.872  -2.491  -0.344
  217   2HB   PRO  30          2HB       PRO  30   1.189  -2.796   1.263
  218   1HG   PRO  30          2HG       PRO  30  -0.223  -2.440  -1.336
  219   2HG   PRO  30          1HG       PRO  30  -0.751  -3.298   0.123
  220   1HD   PRO  30          1HD       PRO  30  -1.592  -0.711  -0.697
  221   2HD   PRO  30          2HD       PRO  30  -1.893  -1.466   0.883
  222    H    CYS  31           H        CYS  31   0.200   0.641  -1.187
  223    HA   CYS  31           HA       CYS  31   2.780   1.762  -2.124
  224   1HB   CYS  31          1HB       CYS  31   2.118  -0.427  -3.376
  225   2HB   CYS  31          2HB       CYS  31   0.873   0.570  -4.129
  226    H    THR  32           H        THR  32   2.497   3.766  -3.239
  227    HA   THR  32           HA       THR  32  -0.110   5.042  -2.714
  228    HB   THR  32           HB       THR  32   1.905   6.287  -2.124
  229    HG1  THR  32           HG1      THR  32   1.262   8.142  -3.024
  230   1HG2  THR  32          1HG2      THR  32   2.793   5.281  -4.688
  231   2HG2  THR  32          2HG2      THR  32   2.984   7.033  -4.612
  232   3HG2  THR  32          3HG2      THR  32   3.740   6.011  -3.392
  233    H    CYS  33           H        CYS  33   0.569   3.033  -5.022
  234    HA   CYS  33           HA       CYS  33  -0.133   4.752  -7.335
  235   1HB   CYS  33          2HB       CYS  33   0.368   2.854  -8.718
  236   2HB   CYS  33          1HB       CYS  33   1.641   2.947  -7.503
  237    H    GLY  34           H        GLY  34  -1.970   3.932  -5.008
  238   1HA   GLY  34          2HA       GLY  34  -4.313   3.427  -6.698
  239   2HA   GLY  34          1HA       GLY  34  -4.332   3.736  -4.959
  240    H    TYR  35           H        TYR  35  -3.400   1.214  -7.333
  241    HA   TYR  35           HA       TYR  35  -4.865  -0.891  -6.285
  242   1HB   TYR  35          1HB       TYR  35  -3.678  -1.401  -8.256
  243   2HB   TYR  35          2HB       TYR  35  -2.151  -0.816  -7.599
  244    HD1  TYR  35           HD1      TYR  35  -4.700  -3.538  -7.249
  245    HD2  TYR  35           HD2      TYR  35  -0.661  -2.276  -6.493
  246    HE1  TYR  35           HE1      TYR  35  -4.122  -5.829  -6.506
  247    HE2  TYR  35           HE2      TYR  35  -0.085  -4.570  -5.749
  248    HH   TYR  35           HH       TYR  35  -1.502  -7.137  -6.436
  249    H    GLN  36           H        GLN  36  -5.027  -1.044  -4.055
  250    HA   GLN  36           HA       GLN  36  -2.483  -1.659  -2.615
  251   1HB   GLN  36          1HB       GLN  36  -3.588  -0.569  -0.601
  252   2HB   GLN  36          2HB       GLN  36  -3.124   0.533  -1.897
  253   1HG   GLN  36          1HG       GLN  36  -5.264   1.120  -2.305
  254   2HG   GLN  36          2HG       GLN  36  -5.812  -0.557  -2.270
  255   2HE2  GLN  36          2HE2      GLN  36  -6.797   2.067  -0.874
  256   1HE2  GLN  36          1HE2      GLN  36  -6.985   1.593   0.745
  257    H    ILE  37           H        ILE  37  -3.594  -2.360  -0.171
  258    HA   ILE  37           HA       ILE  37  -5.621  -4.450  -0.760
  259    HB   ILE  37           HB       ILE  37  -4.254  -6.172   0.314
  260   1HG1  ILE  37          1HG1      ILE  37  -2.434  -3.813   0.765
  261   2HG1  ILE  37          2HG1      ILE  37  -2.955  -5.041   1.916
  262   1HG2  ILE  37          1HG2      ILE  37  -4.016  -5.589  -2.171
  263   2HG2  ILE  37          2HG2      ILE  37  -2.523  -4.763  -1.728
  264   3HG2  ILE  37          3HG2      ILE  37  -2.685  -6.498  -1.457
  265   1HD1  ILE  37          1HD1      ILE  37  -1.634  -6.707   0.443
  266   2HD1  ILE  37          2HD1      ILE  37  -0.884  -5.277  -0.265
  267   3HD1  ILE  37          3HD1      ILE  37  -0.706  -5.605   1.457
  268    H    CYS  38           H        CYS  38  -5.792  -5.692   1.617
  269    HA   CYS  38           HA       CYS  38  -6.625  -3.510   3.425
  270   1HB   CYS  38          2HB       CYS  38  -7.807  -5.257   4.655
  271   2HB   CYS  38          1HB       CYS  38  -8.169  -5.413   2.938
  272    H    ARG  39           H        ARG  39  -6.243  -4.201   5.894
  273    HA   ARG  39           HA       ARG  39  -3.379  -4.154   6.285
  274   1HB   ARG  39          1HB       ARG  39  -5.759  -3.793   7.884
  275   2HB   ARG  39          2HB       ARG  39  -4.623  -4.851   8.724
  276   1HG   ARG  39          1HG       ARG  39  -3.025  -3.209   8.922
  277   2HG   ARG  39          2HG       ARG  39  -3.495  -2.427   7.411
  278   1HD   ARG  39          1HD       ARG  39  -4.587  -0.898   8.657
  279   2HD   ARG  39          2HD       ARG  39  -5.741  -2.169   9.061
  280    HE   ARG  39           HE       ARG  39  -3.384  -1.432  10.742
  281   1HH1  ARG  39          1HH1      ARG  39  -3.597  -3.663  12.055
  282   2HH1  ARG  39          2HH1      ARG  39  -5.095  -3.714  12.924
  283   1HH2  ARG  39          1HH2      ARG  39  -6.557  -1.167  11.080
  284   2HH2  ARG  39          2HH2      ARG  39  -6.770  -2.302  12.370
  285    H    PHE  40           H        PHE  40  -5.678  -6.668   5.901
  286    HA   PHE  40           HA       PHE  40  -4.071  -8.689   7.322
  287   1HB   PHE  40          1HB       PHE  40  -6.672  -8.693   5.811
  288   2HB   PHE  40          2HB       PHE  40  -5.845 -10.217   6.137
  289    HD1  PHE  40           HD1      PHE  40  -4.683  -9.907   8.756
  290    HD2  PHE  40           HD2      PHE  40  -8.458  -8.465   7.295
  291    HE1  PHE  40           HE1      PHE  40  -5.577  -9.900  11.070
  292    HE2  PHE  40           HE2      PHE  40  -9.351  -8.460   9.608
  293    HZ   PHE  40           HZ       PHE  40  -7.911  -9.178  11.496
  294    H    CYS  41           H        CYS  41  -4.310  -7.334   4.164
  295    HA   CYS  41           HA       CYS  41  -3.069  -9.675   2.856
  296   1HB   CYS  41          1HB       CYS  41  -4.222  -7.064   1.953
  297   2HB   CYS  41          2HB       CYS  41  -3.020  -7.838   0.922
  298    H    TRP  42           H        TRP  42  -2.246  -6.358   3.809
  299    HA   TRP  42           HA       TRP  42   0.420  -6.420   2.698
  300   1HB   TRP  42          1HB       TRP  42  -0.523  -4.268   3.130
  301   2HB   TRP  42          2HB       TRP  42  -0.925  -4.697   4.792
  302    HD1  TRP  42           HD1      TRP  42   2.176  -4.144   2.560
  303    HE1  TRP  42           HE1      TRP  42   4.113  -3.334   4.059
  304    HE3  TRP  42           HE3      TRP  42  -0.058  -4.470   7.140
  305    HZ2  TRP  42           HZ2      TRP  42   4.641  -2.881   6.835
  306    HZ3  TRP  42           HZ3      TRP  42   1.181  -3.844   9.193
  307    HH2  TRP  42           HH2      TRP  42   3.523  -3.051   9.047
  308    H    HIS  43           H        HIS  43  -0.997  -7.379   5.781
  309    HA   HIS  43           HA       HIS  43   1.479  -7.661   7.218
  310   1HB   HIS  43          1HB       HIS  43  -1.338  -8.500   7.586
  311   2HB   HIS  43          2HB       HIS  43  -0.140  -9.520   8.381
  312    HD1  HIS  43           HD1      HIS  43   1.922  -7.640   9.390
  313    HD2  HIS  43           HD2      HIS  43  -2.126  -6.649   9.470
  314    HE1  HIS  43           HE1      HIS  43   1.661  -5.835  11.147
  315    H    ARG  44           H        ARG  44   0.276  -9.351   4.558
  316    HA   ARG  44           HA       ARG  44   1.769 -11.824   5.301
  317   1HB   ARG  44          1HB       ARG  44  -0.620 -12.025   4.517
  318   2HB   ARG  44          2HB       ARG  44  -0.096 -11.404   2.951
  319   1HG   ARG  44          1HG       ARG  44   0.012 -13.742   2.671
  320   2HG   ARG  44          2HG       ARG  44   1.680 -13.295   3.034
  321   1HD   ARG  44          1HD       ARG  44   1.623 -14.241   5.133
  322   2HD   ARG  44          2HD       ARG  44  -0.098 -13.919   5.346
  323    HE   ARG  44           HE       ARG  44  -0.276 -16.201   4.755
  324   1HH1  ARG  44          1HH1      ARG  44   2.663 -15.270   3.469
  325   2HH1  ARG  44          2HH1      ARG  44   2.555 -16.241   2.038
  326   1HH2  ARG  44          1HH2      ARG  44  -0.752 -17.135   2.579
  327   2HH2  ARG  44          2HH2      ARG  44   0.620 -17.297   1.535
  328    H    ILE  45           H        ILE  45   1.730  -9.117   3.082
  329    HA   ILE  45           HA       ILE  45   3.621 -10.285   1.209
  330    HB   ILE  45           HB       ILE  45   2.812  -7.404   1.690
  331   1HG1  ILE  45          1HG1      ILE  45   1.968  -9.484  -0.354
  332   2HG1  ILE  45          2HG1      ILE  45   0.962  -8.799   0.922
  333   1HG2  ILE  45          1HG2      ILE  45   5.102  -8.123   0.470
  334   2HG2  ILE  45          2HG2      ILE  45   3.993  -8.331  -0.885
  335   3HG2  ILE  45          3HG2      ILE  45   4.126  -6.764  -0.089
  336   1HD1  ILE  45          1HD1      ILE  45   1.978  -6.572  -0.426
  337   2HD1  ILE  45          2HD1      ILE  45   1.584  -7.718  -1.707
  338   3HD1  ILE  45          3HD1      ILE  45   0.342  -7.217  -0.559
  339    H    ARG  46           H        ARG  46   3.896  -7.850   3.809
  340    HA   ARG  46           HA       ARG  46   6.771  -7.648   3.562
  341   1HB   ARG  46          1HB       ARG  46   4.677  -6.445   5.145
  342   2HB   ARG  46          2HB       ARG  46   6.014  -6.924   6.191
  343   1HG   ARG  46          1HG       ARG  46   7.466  -5.840   4.242
  344   2HG   ARG  46          2HG       ARG  46   5.975  -4.944   3.950
  345   1HD   ARG  46          2HD       ARG  46   7.195  -3.611   5.495
  346   2HD   ARG  46          1HD       ARG  46   5.976  -4.434   6.467
  347    HE   ARG  46           HE       ARG  46   7.711  -5.848   7.379
  348   1HH1  ARG  46          1HH1      ARG  46   9.342  -5.733   4.740
  349   2HH1  ARG  46          2HH1      ARG  46  10.763  -4.913   5.295
  350   1HH2  ARG  46          1HH2      ARG  46   9.310  -3.840   8.254
  351   2HH2  ARG  46          2HH2      ARG  46  10.744  -3.842   7.284
  352    H    THR  47           H        THR  47   4.867 -10.169   4.627
  353    HA   THR  47           HA       THR  47   6.768 -11.011   6.743
  354    HB   THR  47           HB       THR  47   4.061 -12.021   5.855
  355    HG1  THR  47           HG1      THR  47   3.769 -11.640   8.185
  356   1HG2  THR  47          1HG2      THR  47   6.203 -13.388   7.434
  357   2HG2  THR  47          2HG2      THR  47   4.527 -13.590   7.948
  358   3HG2  THR  47          3HG2      THR  47   5.016 -14.075   6.324
  359    H    ASP  48           H        ASP  48   5.209 -12.569   3.897
  360    HA   ASP  48           HA       ASP  48   7.783 -14.049   3.515
  361   1HB   ASP  48          1HB       ASP  48   6.053 -15.574   4.307
  362   2HB   ASP  48          2HB       ASP  48   4.949 -15.019   3.047
  363    H    GLU  49           H        GLU  49   4.963 -12.597   1.904
  364    HA   GLU  49           HA       GLU  49   5.918 -13.116  -0.768
  365   1HB   GLU  49          1HB       GLU  49   3.605 -12.004   0.389
  366   2HB   GLU  49          2HB       GLU  49   4.302 -10.718  -0.597
  367   1HG   GLU  49          1HG       GLU  49   3.918 -11.828  -2.552
  368   2HG   GLU  49          2HG       GLU  49   4.285 -13.402  -1.846
  369    H    ASN  50           H        ASN  50   5.917 -10.694  -2.076
  370    HA   ASN  50           HA       ASN  50   8.458  -9.527  -1.080
  371   1HB   ASN  50          1HB       ASN  50   7.154  -9.833  -3.720
  372   2HB   ASN  50          2HB       ASN  50   8.020  -8.316  -3.477
  373   2HD2  ASN  50          2HD2      ASN  50   9.844  -8.852  -4.826
  374   1HD2  ASN  50          1HD2      ASN  50  10.938 -10.087  -4.425
  375    H    GLY  51           H        GLY  51   8.231  -7.764   0.199
  376   1HA   GLY  51          2HA       GLY  51   7.528  -5.634   0.899
  377   2HA   GLY  51          1HA       GLY  51   5.902  -6.252   0.601
  378    H    LEU  52           H        LEU  52   8.075  -6.205  -2.092
  379    HA   LEU  52           HA       LEU  52   7.714  -3.561  -3.043
  380   1HB   LEU  52          1HB       LEU  52   7.991  -6.128  -4.636
  381   2HB   LEU  52          2HB       LEU  52   8.208  -4.503  -5.283
  382    HG   LEU  52           HG       LEU  52   9.903  -5.939  -3.237
  383   1HD1  LEU  52          1HD1      LEU  52  10.103  -5.200  -6.045
  384   2HD1  LEU  52          2HD1      LEU  52  11.446  -4.540  -5.110
  385   3HD1  LEU  52          3HD1      LEU  52  11.133  -6.276  -5.097
  386   1HD2  LEU  52          1HD2      LEU  52   9.786  -2.975  -3.875
  387   2HD2  LEU  52          2HD2      LEU  52   9.526  -3.734  -2.304
  388   3HD2  LEU  52          3HD2      LEU  52  11.132  -3.742  -3.033
  389    H    CYS  53           H        CYS  53   6.386  -3.117  -5.130
  390    HA   CYS  53           HA       CYS  53   3.583  -3.812  -4.536
  391   1HB   CYS  53          1HB       CYS  53   4.189  -1.452  -4.984
  392   2HB   CYS  53          2HB       CYS  53   4.757  -1.910  -6.589
  393    HA   PRO  54           HA       PRO  54   3.871  -6.863  -7.804
  394   1HB   PRO  54          1HB       PRO  54   1.391  -7.947  -7.338
  395   2HB   PRO  54          2HB       PRO  54   2.827  -8.337  -6.373
  396   1HG   PRO  54          2HG       PRO  54   0.493  -6.628  -5.655
  397   2HG   PRO  54          1HG       PRO  54   1.593  -7.527  -4.597
  398   1HD   PRO  54          1HD       PRO  54   1.674  -4.736  -5.107
  399   2HD   PRO  54          2HD       PRO  54   2.931  -5.694  -4.294
  400    H    ALA  55           H        ALA  55   2.531  -3.989  -8.014
  401    HA   ALA  55           HA       ALA  55   0.992  -4.674 -10.470
  402   1HB   ALA  55          1HB       ALA  55  -0.400  -4.039  -8.347
  403   2HB   ALA  55          3HB       ALA  55  -0.815  -3.311  -9.897
  404   3HB   ALA  55          2HB       ALA  55   0.122  -2.396  -8.717
  405    H    CYS  56           H        CYS  56   3.127  -2.437  -8.787
  406    HA   CYS  56           HA       CYS  56   3.649  -1.158 -11.411
  407   1HB   CYS  56          1HB       CYS  56   3.202   1.007 -10.733
  408   2HB   CYS  56          2HB       CYS  56   1.984   0.140  -9.805
  409    H    ARG  57           H        ARG  57   4.997  -2.906  -9.124
  410    HA   ARG  57           HA       ARG  57   7.196  -3.160  -8.326
  411   1HB   ARG  57          1HB       ARG  57   7.659  -1.336 -10.702
  412   2HB   ARG  57          2HB       ARG  57   8.968  -2.044  -9.755
  413   1HG   ARG  57          1HG       ARG  57   7.166  -4.152 -10.359
  414   2HG   ARG  57          2HG       ARG  57   7.424  -3.256 -11.856
  415   1HD   ARG  57          1HD       ARG  57   9.714  -4.092 -10.072
  416   2HD   ARG  57          2HD       ARG  57   9.099  -5.129 -11.358
  417    HE   ARG  57           HE       ARG  57   9.797  -2.400 -12.195
  418   1HH1  ARG  57          1HH1      ARG  57  11.368  -5.235 -11.209
  419   2HH1  ARG  57          2HH1      ARG  57  12.361  -5.369 -12.622
  420   1HH2  ARG  57          1HH2      ARG  57  10.815  -2.748 -14.282
  421   2HH2  ARG  57          2HH2      ARG  57  12.048  -3.962 -14.361
  422    H    LYS  58           H        LYS  58   7.409  -2.237  -6.343
  423    HA   LYS  58           HA       LYS  58   8.765   0.193  -5.907
  424   1HB   LYS  58          1HB       LYS  58   6.668   1.222  -6.815
  425   2HB   LYS  58          2HB       LYS  58   5.772   0.476  -5.492
  426   1HG   LYS  58          2HG       LYS  58   6.212   2.589  -4.612
  427   2HG   LYS  58          1HG       LYS  58   7.575   1.660  -3.985
  428   1HD   LYS  58          2HD       LYS  58   8.853   3.285  -4.929
  429   2HD   LYS  58          1HD       LYS  58   8.518   2.446  -6.444
  430   1HE   LYS  58          2HE       LYS  58   7.851   4.620  -6.968
  431   2HE   LYS  58          1HE       LYS  58   6.329   3.904  -6.436
  432   1HZ   LYS  58          1HZ       LYS  58   8.090   5.190  -4.466
  433   2HZ   LYS  58          2HZ       LYS  58   7.105   6.156  -5.456
  434   3HZ   LYS  58          3HZ       LYS  58   6.401   4.996  -4.438
  435    HA   PRO  59           HA       PRO  59   8.713  -2.006  -2.060
  436   1HB   PRO  59          1HB       PRO  59  10.371  -0.283  -0.696
  437   2HB   PRO  59          2HB       PRO  59  10.950  -1.491  -1.856
  438   1HG   PRO  59          2HG       PRO  59  10.699   1.465  -2.191
  439   2HG   PRO  59          1HG       PRO  59  11.811   0.336  -2.983
  440   1HD   PRO  59          1HD       PRO  59   9.478   1.426  -4.140
  441   2HD   PRO  59          2HD       PRO  59  10.385   0.028  -4.756
  442    H    TYR  60           H        TYR  60   6.924  -1.880  -0.767
  443    HA   TYR  60           HA       TYR  60   5.209   0.230  -0.355
  444   1HB   TYR  60          1HB       TYR  60   6.039  -1.806   1.736
  445   2HB   TYR  60          2HB       TYR  60   4.580  -0.819   1.803
  446    HD1  TYR  60           HD1      TYR  60   4.747  -1.182  -1.533
  447    HD2  TYR  60           HD2      TYR  60   4.212  -3.677   1.924
  448    HE1  TYR  60           HE1      TYR  60   3.547  -2.849  -2.920
  449    HE2  TYR  60           HE2      TYR  60   3.013  -5.343   0.534
  450    HH   TYR  60           HH       TYR  60   1.838  -4.673  -2.533
  451    HA   PRO  61           HA       PRO  61   7.366   3.245   1.979
  452   1HB   PRO  61          1HB       PRO  61   5.201   4.541   3.073
  453   2HB   PRO  61          2HB       PRO  61   5.689   4.707   1.378
  454   1HG   PRO  61          2HG       PRO  61   3.396   3.189   2.530
  455   2HG   PRO  61          1HG       PRO  61   3.574   3.900   0.917
  456   1HD   PRO  61          1HD       PRO  61   3.876   1.162   1.565
  457   2HD   PRO  61          2HD       PRO  61   4.367   1.936   0.044
  458    H    GLU  62           H        GLU  62   8.399   1.981   3.626
  459    HA   GLU  62           HA       GLU  62   6.998   2.052   6.248
  460   1HB   GLU  62          1HB       GLU  62   7.325  -0.317   4.785
  461   2HB   GLU  62          2HB       GLU  62   8.622  -0.348   5.982
  462   1HG   GLU  62          1HG       GLU  62   5.939   0.507   6.948
  463   2HG   GLU  62          2HG       GLU  62   6.126  -1.199   6.541
  464    H    ASP  63           H        ASP  63   8.588   3.935   6.278
  465    HA   ASP  63           HA       ASP  63  10.846   3.297   7.888
  466   1HB   ASP  63          1HB       ASP  63  11.282   3.161   4.995
  467   2HB   ASP  63          2HB       ASP  63  12.365   4.303   5.791
  468    HA   PRO  64           HA       PRO  64  10.563   7.639   8.473
  469   1HB   PRO  64          1HB       PRO  64  13.027   8.100   9.601
  470   2HB   PRO  64          2HB       PRO  64  11.693   7.308  10.458
  471   1HG   PRO  64          2HG       PRO  64  14.169   6.102   9.313
  472   2HG   PRO  64          1HG       PRO  64  13.162   5.535  10.656
  473   1HD   PRO  64          1HD       PRO  64  13.142   4.509   8.014
  474   2HD   PRO  64          2HD       PRO  64  11.933   4.179   9.274
  475    H    ALA  65           H        ALA  65  14.030   7.240   7.764
  476    HA   ALA  65           HA       ALA  65  13.942   8.261   5.087
  477   1HB   ALA  65          1HB       ALA  65  13.849  10.226   7.248
  478   2HB   ALA  65          3HB       ALA  65  13.625  10.461   5.514
  479   3HB   ALA  65          2HB       ALA  65  15.249  10.454   6.201
  480    H    VAL  66           H        VAL  66  15.751   7.283   4.307
  481    HA   VAL  66           HA       VAL  66  18.246   7.478   5.930
  482    HB   VAL  66           HB       VAL  66  18.785   5.142   5.380
  483   1HG1  VAL  66          1HG1      VAL  66  16.045   5.500   6.635
  484   2HG1  VAL  66          2HG1      VAL  66  17.051   4.059   6.790
  485   3HG1  VAL  66          3HG1      VAL  66  17.592   5.590   7.478
  486   1HG2  VAL  66          1HG2      VAL  66  16.632   5.538   3.517
  487   2HG2  VAL  66          2HG2      VAL  66  17.737   4.168   3.642
  488   3HG2  VAL  66          3HG2      VAL  66  16.235   4.177   4.566
  489    H    TYR  67           H        TYR  67  19.092   9.038   4.496
  490    HA   TYR  67           HA       TYR  67  20.203   9.799   2.573
  491   1HB   TYR  67          1HB       TYR  67  20.587   6.845   2.602
  492   2HB   TYR  67          2HB       TYR  67  20.983   7.688   1.105
  493    HD1  TYR  67           HD1      TYR  67  22.590   9.656   1.193
  494    HD2  TYR  67           HD2      TYR  67  22.011   6.972   4.497
  495    HE1  TYR  67           HE1      TYR  67  24.730  10.419   2.188
  496    HE2  TYR  67           HE2      TYR  67  24.151   7.735   5.492
  497    HH   TYR  67           HH       TYR  67  26.223  10.092   3.808
  498    H    LYS  68           H        LYS  68  18.379  10.766   1.546
  499    HA   LYS  68           HA       LYS  68  17.775  10.089  -1.053
  500   1HB   LYS  68          1HB       LYS  68  16.496   8.233   0.760
  501   2HB   LYS  68          2HB       LYS  68  15.281   9.131  -0.153
  502   1HG   LYS  68          1HG       LYS  68  17.620   8.173  -1.709
  503   2HG   LYS  68          2HG       LYS  68  16.523   6.922  -1.121
  504   1HD   LYS  68          1HD       LYS  68  14.763   8.814  -2.057
  505   2HD   LYS  68          2HD       LYS  68  16.098   8.965  -3.201
  506   1HE   LYS  68          1HE       LYS  68  16.021   6.377  -3.315
  507   2HE   LYS  68          2HE       LYS  68  14.427   6.533  -2.579
  508   1HZ   LYS  68          1HZ       LYS  68  13.936   8.168  -4.415
  509   2HZ   LYS  68          2HZ       LYS  68  15.355   7.619  -5.172
  510   3HZ   LYS  68          3HZ       LYS  68  14.077   6.541  -4.884
  511    HA   PRO  69           HA       PRO  69  14.226  12.834   0.579
  512   1HB   PRO  69          1HB       PRO  69  13.905  13.013   3.303
  513   2HB   PRO  69          2HB       PRO  69  13.085  11.807   2.298
  514   1HG   PRO  69          2HG       PRO  69  15.396  11.448   4.150
  515   2HG   PRO  69          1HG       PRO  69  14.173  10.272   3.640
  516   1HD   PRO  69          1HD       PRO  69  16.815  10.443   2.649
  517   2HD   PRO  69          2HD       PRO  69  15.485   9.518   1.920
  518    H    LEU  70           H        LEU  70  15.927  14.353  -0.150
  519    HA   LEU  70           HA       LEU  70  17.956  15.494   1.391
  520   1HB   LEU  70          1HB       LEU  70  17.360  17.655   0.046
  521   2HB   LEU  70          2HB       LEU  70  17.889  16.224  -0.841
  522    HG   LEU  70           HG       LEU  70  14.987  16.329  -0.319
  523   1HD1  LEU  70          1HD1      LEU  70  16.389  18.627  -1.451
  524   2HD1  LEU  70          2HD1      LEU  70  15.220  17.940  -2.581
  525   3HD1  LEU  70          3HD1      LEU  70  14.696  18.470  -0.982
  526   1HD2  LEU  70          1HD2      LEU  70  16.738  14.985  -1.999
  527   2HD2  LEU  70          2HD2      LEU  70  14.983  15.022  -2.174
  528   3HD2  LEU  70          3HD2      LEU  70  15.983  16.162  -3.075
  529    H    SER  71           H        SER  71  18.017  17.454   2.700
  530    HA   SER  71           HA       SER  71  15.928  19.082   3.508
  531   1HB   SER  71          1HB       SER  71  15.558  16.359   4.468
  532   2HB   SER  71          2HB       SER  71  15.655  17.506   5.801
  533    HG   SER  71           HG       SER  71  13.984  18.660   4.907
  534    H    GLN  72           H        GLN  72  18.544  19.574   3.376
  535    HA   GLN  72           HA       GLN  72  19.211  20.497   6.022
  536   1HB   GLN  72          1HB       GLN  72  21.328  19.143   6.250
  537   2HB   GLN  72          2HB       GLN  72  19.848  18.206   6.453
  538   1HG   GLN  72          1HG       GLN  72  20.453  16.862   4.756
  539   2HG   GLN  72          2HG       GLN  72  20.499  18.250   3.667
  540   2HE2  GLN  72          2HE2      GLN  72  22.489  18.141   2.601
  541   1HE2  GLN  72          1HE2      GLN  72  23.984  17.894   3.367
  542    H    GLU  73           H        GLU  73  21.792  21.108   5.889
  543    HA   GLU  73           HA       GLU  73  21.947  22.867   3.544
  544   1HB   GLU  73          1HB       GLU  73  22.752  23.172   6.119
  545   2HB   GLU  73          2HB       GLU  73  24.267  22.647   5.382
  546   1HG   GLU  73          2HG       GLU  73  24.125  25.079   5.265
  547   2HG   GLU  73          1HG       GLU  73  23.981  24.413   3.638
  548    H    GLU  74           H        GLU  74  23.633  22.797   1.978
  549    HA   GLU  74           HA       GLU  74  24.601  20.100   1.390
  550   1HB   GLU  74          1HB       GLU  74  25.711  21.340  -0.570
  551   2HB   GLU  74          2HB       GLU  74  23.948  21.373  -0.516
  552   1HG   GLU  74          1HG       GLU  74  23.894  23.598   0.272
  553   2HG   GLU  74          2HG       GLU  74  25.584  23.549   0.780
  554    H    LEU  75           H        LEU  75  26.809  19.467   1.336
  555    HA   LEU  75           HA       LEU  75  28.477  20.614   3.382
  556   1HB   LEU  75          1HB       LEU  75  28.495  18.292   1.695
  557   2HB   LEU  75          2HB       LEU  75  30.070  19.079   1.587
  558    HG   LEU  75           HG       LEU  75  30.006  17.457   3.453
  559   1HD1  LEU  75          1HD1      LEU  75  31.401  19.506   3.612
  560   2HD1  LEU  75          2HD1      LEU  75  30.057  20.343   4.389
  561   3HD1  LEU  75          3HD1      LEU  75  30.830  18.976   5.194
  562   1HD2  LEU  75          1HD2      LEU  75  27.792  19.268   4.475
  563   2HD2  LEU  75          2HD2      LEU  75  27.613  17.588   3.971
  564   3HD2  LEU  75          3HD2      LEU  75  28.550  17.981   5.412
  565    H    GLN  76           H        GLN  76  30.855  21.229   2.776
  566    HA   GLN  76           HA       GLN  76  30.671  23.350   0.705
  567   1HB   GLN  76          1HB       GLN  76  31.509  23.709   3.150
  568   2HB   GLN  76          2HB       GLN  76  32.999  22.959   2.577
  569   1HG   GLN  76          1HG       GLN  76  32.241  24.854   0.610
  570   2HG   GLN  76          2HG       GLN  76  32.079  25.657   2.171
  571   2HE2  GLN  76          2HE2      GLN  76  34.417  23.082   1.267
  572   1HE2  GLN  76          1HE2      GLN  76  35.800  24.028   1.546
  573    H    ARG  77           H        ARG  77  31.244  22.559  -1.281
  574    HA   ARG  77           HA       ARG  77  32.573  21.578  -2.948
  575   1HB   ARG  77          1HB       ARG  77  34.378  22.626  -0.971
  576   2HB   ARG  77          2HB       ARG  77  35.020  21.101  -1.582
  577   1HG   ARG  77          1HG       ARG  77  35.519  22.014  -3.586
  578   2HG   ARG  77          2HG       ARG  77  33.916  22.738  -3.726
  579   1HD   ARG  77          1HD       ARG  77  35.939  23.927  -1.845
  580   2HD   ARG  77          2HD       ARG  77  36.002  24.310  -3.565
  581    HE   ARG  77           HE       ARG  77  33.493  24.749  -2.005
  582   1HH1  ARG  77          1HH1      ARG  77  36.299  26.159  -3.306
  583   2HH1  ARG  77          2HH1      ARG  77  35.484  27.529  -3.982
  584   1HH2  ARG  77          1HH2      ARG  77  32.313  26.359  -3.214
  585   2HH2  ARG  77          2HH2      ARG  77  33.229  27.643  -3.929
  586    H    ILE  78           H        ILE  78  31.211  19.989  -0.667
  587    HA   ILE  78           HA       ILE  78  30.980  17.726  -0.096
  588    HB   ILE  78           HB       ILE  78  32.688  17.146  -2.522
  589   1HG1  ILE  78          1HG1      ILE  78  29.710  17.439  -2.709
  590   2HG1  ILE  78          2HG1      ILE  78  30.700  18.898  -2.754
  591   1HG2  ILE  78          1HG2      ILE  78  30.412  15.732  -1.106
  592   2HG2  ILE  78          2HG2      ILE  78  31.059  15.218  -2.665
  593   3HG2  ILE  78          3HG2      ILE  78  32.088  15.196  -1.233
  594   1HD1  ILE  78          1HD1      ILE  78  32.103  17.435  -4.498
  595   2HD1  ILE  78          2HD1      ILE  78  30.535  16.659  -4.721
  596   3HD1  ILE  78          3HD1      ILE  78  30.710  18.391  -5.003

  No H/Q in entry =         596
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1 -36.458  -5.246  -0.532
    2    H2   MET   1           H2       MET   1 -35.884  -6.263  -1.766
    3    H3   MET   1           H3       MET   1 -36.941  -6.870  -0.582
    4    HA   MET   1           HA       MET   1 -34.918  -7.662   0.148
    5   1HB   MET   1          1HB       MET   1 -33.926  -5.635  -1.520
    6   2HB   MET   1          2HB       MET   1 -33.318  -5.235   0.087
    7   1HG   MET   1          1HG       MET   1 -31.717  -6.719  -0.944
    8   2HG   MET   1          2HG       MET   1 -32.562  -7.634   0.305
    9   1HE   MET   1          1HE       MET   1 -31.135  -7.684  -2.903
   10   2HE   MET   1          2HE       MET   1 -30.950  -9.151  -1.932
   11   3HE   MET   1          3HE       MET   1 -31.696  -9.234  -3.527
   12    H    SER   2           H        SER   2 -35.189  -7.809   2.318
   13    HA   SER   2           HA       SER   2 -35.978  -5.411   3.853
   14   1HB   SER   2          1HB       SER   2 -35.487  -8.004   5.227
   15   2HB   SER   2          2HB       SER   2 -36.814  -6.862   5.423
   16    HG   SER   2           HG       SER   2 -37.744  -7.648   3.572
   17    H    ARG   3           H        ARG   3 -34.719  -6.505   6.323
   18    HA   ARG   3           HA       ARG   3 -32.692  -6.314   7.494
   19   1HB   ARG   3          1HB       ARG   3 -32.019  -7.606   5.145
   20   2HB   ARG   3          2HB       ARG   3 -30.941  -6.210   5.141
   21   1HG   ARG   3          1HG       ARG   3 -30.000  -6.793   7.246
   22   2HG   ARG   3          2HG       ARG   3 -31.286  -7.952   7.585
   23   1HD   ARG   3          1HD       ARG   3 -30.003  -8.620   5.087
   24   2HD   ARG   3          2HD       ARG   3 -28.793  -8.475   6.361
   25    HE   ARG   3           HE       ARG   3 -30.639 -10.636   6.106
   26   1HH1  ARG   3          1HH1      ARG   3 -32.078 -10.148   8.367
   27   2HH1  ARG   3          2HH1      ARG   3 -31.054 -10.484   9.723
   28   1HH2  ARG   3          1HH2      ARG   3 -28.119 -10.338   7.880
   29   2HH2  ARG   3          2HH2      ARG   3 -28.813 -10.591   9.446
   30    H    SER   4           H        SER   4 -31.061  -4.669   7.955
   31    HA   SER   4           HA       SER   4 -31.904  -2.018   7.326
   32   1HB   SER   4          1HB       SER   4 -29.990  -1.287   8.553
   33   2HB   SER   4          2HB       SER   4 -30.502  -2.787   9.321
   34    HG   SER   4           HG       SER   4 -28.145  -2.311   8.495
   35    HA   PRO   5           HA       PRO   5 -29.931  -1.305   3.468
   36   1HB   PRO   5          1HB       PRO   5 -29.747   1.433   3.606
   37   2HB   PRO   5          2HB       PRO   5 -31.261   0.568   3.292
   38   1HG   PRO   5          2HG       PRO   5 -30.361   1.931   5.787
   39   2HG   PRO   5          1HG       PRO   5 -32.007   1.628   5.207
   40   1HD   PRO   5          1HD       PRO   5 -30.661   0.153   7.213
   41   2HD   PRO   5          2HD       PRO   5 -32.156  -0.332   6.386
   42    H    ASP   6           H        ASP   6 -27.988   0.158   2.601
   43    HA   ASP   6           HA       ASP   6 -25.696   0.665   2.695
   44   1HB   ASP   6          2HB       ASP   6 -25.890   0.629   5.705
   45   2HB   ASP   6          1HB       ASP   6 -24.832   1.601   4.682
   46    H    ALA   7           H        ALA   7 -26.468  -2.034   2.484
   47    HA   ALA   7           HA       ALA   7 -24.234  -3.337   3.979
   48   1HB   ALA   7          1HB       ALA   7 -27.098  -4.216   3.710
   49   2HB   ALA   7          3HB       ALA   7 -25.822  -5.422   3.886
   50   3HB   ALA   7          2HB       ALA   7 -26.068  -4.208   5.143
   51    H    LYS   8           H        LYS   8 -24.992  -2.333   1.078
   52    HA   LYS   8           HA       LYS   8 -24.134  -4.858  -0.281
   53   1HB   LYS   8          2HB       LYS   8 -25.748  -2.558  -1.429
   54   2HB   LYS   8          1HB       LYS   8 -25.272  -4.017  -2.298
   55   1HG   LYS   8          2HG       LYS   8 -27.313  -4.775  -1.614
   56   2HG   LYS   8          1HG       LYS   8 -26.449  -5.121  -0.115
   57   1HD   LYS   8          2HD       LYS   8 -28.231  -3.876   0.703
   58   2HD   LYS   8          1HD       LYS   8 -27.040  -2.603   0.438
   59   1HE   LYS   8          1HE       LYS   8 -28.330  -2.940  -2.041
   60   2HE   LYS   8          2HE       LYS   8 -29.616  -2.980  -0.835
   61   1HZ   LYS   8          1HZ       LYS   8 -27.503  -0.901  -0.910
   62   2HZ   LYS   8          2HZ       LYS   8 -29.021  -0.721  -1.650
   63   3HZ   LYS   8          3HZ       LYS   8 -28.910  -0.904   0.036
   64    H    GLU   9           H        GLU   9 -23.548  -3.516  -2.772
   65    HA   GLU   9           HA       GLU   9 -20.840  -2.749  -2.294
   66   1HB   GLU   9          1HB       GLU   9 -20.840  -2.025  -4.659
   67   2HB   GLU   9          2HB       GLU   9 -21.601  -3.604  -4.472
   68   1HG   GLU   9          1HG       GLU   9 -23.756  -1.976  -4.143
   69   2HG   GLU   9          2HG       GLU   9 -22.795  -1.015  -5.267
   70    H    ASP  10           H        ASP  10 -19.856  -0.687  -2.351
   71    HA   ASP  10           HA       ASP  10 -20.922   1.799  -2.883
   72   1HB   ASP  10          1HB       ASP  10 -22.197   0.652  -0.548
   73   2HB   ASP  10          2HB       ASP  10 -21.327   2.122  -0.113
   74    HA   PRO  11           HA       PRO  11 -17.398   2.307   0.299
   75   1HB   PRO  11          1HB       PRO  11 -16.735   0.125   1.831
   76   2HB   PRO  11          2HB       PRO  11 -17.956   1.316   2.313
   77   1HG   PRO  11          2HG       PRO  11 -18.344  -1.460   1.294
   78   2HG   PRO  11          1HG       PRO  11 -19.393  -0.494   2.343
   79   1HD   PRO  11          1HD       PRO  11 -19.773  -0.939  -0.427
   80   2HD   PRO  11          2HD       PRO  11 -20.610   0.271   0.567
   81    H    VAL  12           H        VAL  12 -15.032   1.360   0.494
   82    HA   VAL  12           HA       VAL  12 -14.356   0.190  -2.106
   83    HB   VAL  12           HB       VAL  12 -12.438   0.649   0.184
   84   1HG1  VAL  12          1HG1      VAL  12 -11.766  -0.535  -1.974
   85   2HG1  VAL  12          2HG1      VAL  12 -12.066   0.992  -2.803
   86   3HG1  VAL  12          3HG1      VAL  12 -10.814   0.892  -1.563
   87   1HG2  VAL  12          1HG2      VAL  12 -13.879   2.675  -0.165
   88   2HG2  VAL  12          2HG2      VAL  12 -12.184   2.954  -0.562
   89   3HG2  VAL  12          3HG2      VAL  12 -13.361   2.703  -1.851
   90    H    GLU  13           H        GLU  13 -13.253  -1.860  -2.359
   91    HA   GLU  13           HA       GLU  13 -13.404  -3.658   0.016
   92   1HB   GLU  13          1HB       GLU  13 -15.244  -3.746  -2.043
   93   2HB   GLU  13          2HB       GLU  13 -14.068  -4.971  -2.520
   94   1HG   GLU  13          2HG       GLU  13 -15.381  -6.265  -1.136
   95   2HG   GLU  13          1HG       GLU  13 -14.271  -5.614   0.071
   96    H    CYS  14           H        CYS  14 -11.434  -4.545   0.320
   97    HA   CYS  14           HA       CYS  14  -9.193  -4.278  -1.309
   98   1HB   CYS  14          1HB       CYS  14  -9.283  -5.218   1.052
   99   2HB   CYS  14          2HB       CYS  14  -9.757  -6.758   0.333
  100    HA   PRO  15           HA       PRO  15 -10.621  -6.957  -4.647
  101   1HB   PRO  15          1HB       PRO  15  -8.832  -5.965  -6.484
  102   2HB   PRO  15          2HB       PRO  15 -10.372  -5.178  -6.094
  103   1HG   PRO  15          2HG       PRO  15  -7.610  -4.387  -5.304
  104   2HG   PRO  15          1HG       PRO  15  -9.059  -3.382  -5.478
  105   1HD   PRO  15          1HD       PRO  15  -7.958  -4.319  -3.037
  106   2HD   PRO  15          2HD       PRO  15  -9.554  -3.569  -3.249
  107    H    LEU  16           H        LEU  16  -8.052  -7.194  -2.682
  108    HA   LEU  16           HA       LEU  16  -6.548  -9.104  -4.410
  109   1HB   LEU  16          2HB       LEU  16  -5.762  -7.809  -1.782
  110   2HB   LEU  16          1HB       LEU  16  -4.739  -8.867  -2.755
  111    HG   LEU  16           HG       LEU  16  -5.758  -6.852  -4.486
  112   1HD1  LEU  16          1HD1      LEU  16  -4.763  -5.857  -1.817
  113   2HD1  LEU  16          2HD1      LEU  16  -4.596  -4.888  -3.280
  114   3HD1  LEU  16          3HD1      LEU  16  -6.198  -5.352  -2.706
  115   1HD2  LEU  16          1HD2      LEU  16  -3.123  -7.735  -3.379
  116   2HD2  LEU  16          2HD2      LEU  16  -3.681  -7.704  -5.051
  117   3HD2  LEU  16          3HD2      LEU  16  -3.183  -6.205  -4.260
  118    H    CYS  17           H        CYS  17  -8.479  -8.819  -1.506
  119    HA   CYS  17           HA       CYS  17  -8.306 -11.787  -1.212
  120   1HB   CYS  17          1HB       CYS  17  -8.291 -11.600   1.197
  121   2HB   CYS  17          2HB       CYS  17  -6.988 -10.588   0.576
  122    H    MET  18           H        MET  18 -10.224  -9.180  -1.864
  123    HA   MET  18           HA       MET  18 -12.531  -9.004  -2.134
  124   1HB   MET  18          2HB       MET  18 -12.984 -11.703  -0.927
  125   2HB   MET  18          1HB       MET  18 -13.779 -10.947  -2.307
  126   1HG   MET  18          1HG       MET  18 -11.127 -11.114  -3.111
  127   2HG   MET  18          2HG       MET  18 -11.384 -12.624  -2.236
  128   1HE   MET  18          1HE       MET  18 -13.530 -10.199  -4.288
  129   2HE   MET  18          2HE       MET  18 -12.176 -10.498  -5.375
  130   3HE   MET  18          3HE       MET  18 -13.790 -11.048  -5.818
  131    H    GLU  19           H        GLU  19 -11.030  -8.619   0.532
  132    HA   GLU  19           HA       GLU  19 -13.249  -9.009   2.456
  133   1HB   GLU  19          1HB       GLU  19 -10.430  -7.944   2.776
  134   2HB   GLU  19          2HB       GLU  19 -11.599  -8.016   4.093
  135   1HG   GLU  19          1HG       GLU  19 -11.099 -10.492   2.481
  136   2HG   GLU  19          2HG       GLU  19  -9.914 -10.017   3.698
  137    HA   PRO  20           HA       PRO  20 -14.677  -4.866   2.200
  138   1HB   PRO  20          1HB       PRO  20 -15.540  -4.501   4.786
  139   2HB   PRO  20          2HB       PRO  20 -16.401  -5.490   3.595
  140   1HG   PRO  20          2HG       PRO  20 -14.747  -6.365   5.917
  141   2HG   PRO  20          1HG       PRO  20 -16.082  -7.205   5.111
  142   1HD   PRO  20          1HD       PRO  20 -13.328  -7.753   4.756
  143   2HD   PRO  20          2HD       PRO  20 -14.651  -8.340   3.725
  144    H    LEU  21           H        LEU  21 -13.715  -2.850   2.344
  145    HA   LEU  21           HA       LEU  21 -11.259  -2.585   3.931
  146   1HB   LEU  21          1HB       LEU  21 -12.625  -1.023   1.781
  147   2HB   LEU  21          2HB       LEU  21 -11.517  -0.158   2.847
  148    HG   LEU  21           HG       LEU  21 -10.777  -2.727   1.424
  149   1HD1  LEU  21          1HD1      LEU  21 -10.506   0.165   0.600
  150   2HD1  LEU  21          2HD1      LEU  21  -9.391  -1.065   0.004
  151   3HD1  LEU  21          3HD1      LEU  21 -11.115  -1.193  -0.348
  152   1HD2  LEU  21          1HD2      LEU  21  -9.198  -0.570   2.861
  153   2HD2  LEU  21          2HD2      LEU  21  -9.434  -2.236   3.395
  154   3HD2  LEU  21          3HD2      LEU  21  -8.472  -1.898   1.955
  155    H    GLU  22           H        GLU  22 -11.110  -0.116   4.845
  156    HA   GLU  22           HA       GLU  22 -13.549   0.345   6.511
  157   1HB   GLU  22          1HB       GLU  22 -10.883  -0.388   7.374
  158   2HB   GLU  22          2HB       GLU  22 -11.310   1.204   8.001
  159   1HG   GLU  22          1HG       GLU  22 -13.140  -1.201   8.206
  160   2HG   GLU  22          2HG       GLU  22 -12.009  -0.734   9.477
  161    H    ILE  23           H        ILE  23 -13.239   2.657   7.606
  162    HA   ILE  23           HA       ILE  23 -13.009   4.543   5.424
  163    HB   ILE  23           HB       ILE  23 -13.336   4.881   8.416
  164   1HG1  ILE  23          1HG1      ILE  23 -15.224   3.941   7.032
  165   2HG1  ILE  23          2HG1      ILE  23 -15.613   5.469   7.823
  166   1HG2  ILE  23          1HG2      ILE  23 -12.105   6.809   7.389
  167   2HG2  ILE  23          2HG2      ILE  23 -13.458   7.029   6.278
  168   3HG2  ILE  23          3HG2      ILE  23 -13.695   7.251   8.012
  169   1HD1  ILE  23          1HD1      ILE  23 -15.037   6.674   5.724
  170   2HD1  ILE  23          2HD1      ILE  23 -14.742   5.123   4.940
  171   3HD1  ILE  23          3HD1      ILE  23 -16.364   5.536   5.494
  172    H    ASP  24           H        ASP  24 -11.066   4.077   8.401
  173    HA   ASP  24           HA       ASP  24  -8.987   5.873   7.379
  174   1HB   ASP  24          1HB       ASP  24  -7.761   5.001   9.474
  175   2HB   ASP  24          2HB       ASP  24  -9.236   5.931   9.738
  176    H    ASP  25           H        ASP  25  -9.812   2.770   6.615
  177    HA   ASP  25           HA       ASP  25  -7.023   1.774   6.417
  178   1HB   ASP  25          1HB       ASP  25  -9.742   0.523   6.054
  179   2HB   ASP  25          2HB       ASP  25  -8.297  -0.271   5.425
  180    H    ILE  26           H        ILE  26  -9.335   3.432   4.560
  181    HA   ILE  26           HA       ILE  26  -8.674   2.394   1.952
  182    HB   ILE  26           HB       ILE  26  -9.913   4.992   2.890
  183   1HG1  ILE  26          1HG1      ILE  26 -11.238   2.860   1.243
  184   2HG1  ILE  26          2HG1      ILE  26 -11.025   2.596   2.974
  185   1HG2  ILE  26          1HG2      ILE  26  -8.727   4.402   0.343
  186   2HG2  ILE  26          2HG2      ILE  26 -10.478   4.490   0.150
  187   3HG2  ILE  26          3HG2      ILE  26  -9.598   5.854   0.839
  188   1HD1  ILE  26          1HD1      ILE  26 -12.143   4.783   3.410
  189   2HD1  ILE  26          2HD1      ILE  26 -12.439   4.944   1.679
  190   3HD1  ILE  26          3HD1      ILE  26 -13.198   3.636   2.585
  191    H    ASN  27           H        ASN  27  -7.963   5.702   3.115
  192    HA   ASN  27           HA       ASN  27  -5.953   6.342   1.308
  193   1HB   ASN  27          2HB       ASN  27  -5.095   7.918   2.983
  194   2HB   ASN  27          1HB       ASN  27  -6.859   7.911   3.006
  195   2HD2  ASN  27          2HD2      ASN  27  -7.902   7.234   4.941
  196   1HD2  ASN  27          1HD2      ASN  27  -7.064   6.720   6.324
  197    H    PHE  28           H        PHE  28  -5.757   4.057   3.934
  198    HA   PHE  28           HA       PHE  28  -2.848   4.042   4.054
  199   1HB   PHE  28          1HB       PHE  28  -4.012   3.323   6.022
  200   2HB   PHE  28          2HB       PHE  28  -4.964   2.153   5.109
  201    HD1  PHE  28           HD1      PHE  28  -1.495   2.993   6.189
  202    HD2  PHE  28           HD2      PHE  28  -4.144  -0.035   4.684
  203    HE1  PHE  28           HE1      PHE  28   0.260   1.278   6.550
  204    HE2  PHE  28           HE2      PHE  28  -2.389  -1.749   5.046
  205    HZ   PHE  28           HZ       PHE  28  -0.188  -1.093   5.979
  206    H    PHE  29           H        PHE  29  -1.733   3.381   2.282
  207    HA   PHE  29           HA       PHE  29  -2.548   0.788   1.042
  208   1HB   PHE  29          1HB       PHE  29  -1.373   1.914  -1.070
  209   2HB   PHE  29          2HB       PHE  29  -3.088   2.167  -0.742
  210    HD1  PHE  29           HD1      PHE  29   0.268   3.614   0.178
  211    HD2  PHE  29           HD2      PHE  29  -3.892   4.336  -0.656
  212    HE1  PHE  29           HE1      PHE  29   0.639   6.061   0.396
  213    HE2  PHE  29           HE2      PHE  29  -3.520   6.771  -0.431
  214    HZ   PHE  29           HZ       PHE  29  -1.253   7.638   0.092
  215    HA   PRO  30           HA       PRO  30   1.632  -0.279   1.839
  216   1HB   PRO  30          1HB       PRO  30   1.888  -2.319   0.010
  217   2HB   PRO  30          2HB       PRO  30   0.996  -2.476   1.533
  218   1HG   PRO  30          2HG       PRO  30  -0.065  -2.195  -1.243
  219   2HG   PRO  30          1HG       PRO  30  -0.804  -2.971   0.167
  220   1HD   PRO  30          1HD       PRO  30  -1.459  -0.412  -0.834
  221   2HD   PRO  30          2HD       PRO  30  -1.911  -1.053   0.761
  222    H    CYS  31           H        CYS  31   0.575   1.038  -1.123
  223    HA   CYS  31           HA       CYS  31   3.405   1.570  -1.888
  224   1HB   CYS  31          1HB       CYS  31   2.374  -0.281  -3.285
  225   2HB   CYS  31          2HB       CYS  31   1.244   0.924  -3.902
  226    H    THR  32           H        THR  32   3.588   3.471  -3.356
  227    HA   THR  32           HA       THR  32   1.672   5.563  -2.533
  228    HB   THR  32           HB       THR  32   3.402   6.978  -3.915
  229    HG1  THR  32           HG1      THR  32   5.479   5.676  -3.565
  230   1HG2  THR  32          1HG2      THR  32   3.111   6.371  -1.267
  231   2HG2  THR  32          2HG2      THR  32   4.765   5.837  -1.561
  232   3HG2  THR  32          3HG2      THR  32   4.305   7.505  -1.897
  233    H    CYS  33           H        CYS  33   2.346   3.586  -5.296
  234    HA   CYS  33           HA       CYS  33   1.471   5.323  -7.368
  235   1HB   CYS  33          1HB       CYS  33   1.197   3.368  -8.720
  236   2HB   CYS  33          2HB       CYS  33   2.558   3.045  -7.649
  237    H    GLY  34           H        GLY  34  -0.399   3.197  -5.198
  238   1HA   GLY  34          2HA       GLY  34  -2.897   4.215  -6.448
  239   2HA   GLY  34          1HA       GLY  34  -2.634   4.547  -4.737
  240    H    TYR  35           H        TYR  35  -1.831   1.546  -6.511
  241    HA   TYR  35           HA       TYR  35  -4.052  -0.020  -5.920
  242   1HB   TYR  35          1HB       TYR  35  -1.657  -0.610  -6.977
  243   2HB   TYR  35          2HB       TYR  35  -1.403  -1.279  -5.365
  244    HD1  TYR  35           HD1      TYR  35  -4.392  -1.072  -7.625
  245    HD2  TYR  35           HD2      TYR  35  -1.738  -3.606  -5.384
  246    HE1  TYR  35           HE1      TYR  35  -5.750  -3.049  -8.247
  247    HE2  TYR  35           HE2      TYR  35  -3.098  -5.579  -6.012
  248    HH   TYR  35           HH       TYR  35  -4.959  -5.857  -8.368
  249    H    GLN  36           H        GLN  36  -5.023   0.488  -3.939
  250    HA   GLN  36           HA       GLN  36  -3.411   0.165  -1.469
  251   1HB   GLN  36          1HB       GLN  36  -4.829   2.149  -1.603
  252   2HB   GLN  36          2HB       GLN  36  -6.244   1.148  -1.929
  253   1HG   GLN  36          1HG       GLN  36  -5.268   0.022   0.384
  254   2HG   GLN  36          2HG       GLN  36  -4.913   1.733   0.627
  255   2HE2  GLN  36          2HE2      GLN  36  -7.100   2.908  -0.748
  256   1HE2  GLN  36          1HE2      GLN  36  -8.540   2.498   0.051
  257    H    ILE  37           H        ILE  37  -3.879  -1.432   0.066
  258    HA   ILE  37           HA       ILE  37  -5.911  -3.470  -0.750
  259    HB   ILE  37           HB       ILE  37  -4.427  -5.230  -0.099
  260   1HG1  ILE  37          1HG1      ILE  37  -2.675  -3.012   1.003
  261   2HG1  ILE  37          2HG1      ILE  37  -3.512  -4.256   1.932
  262   1HG2  ILE  37          1HG2      ILE  37  -3.855  -3.539  -2.183
  263   2HG2  ILE  37          2HG2      ILE  37  -2.318  -3.571  -1.320
  264   3HG2  ILE  37          3HG2      ILE  37  -3.039  -5.074  -1.893
  265   1HD1  ILE  37          1HD1      ILE  37  -1.445  -4.898  -0.183
  266   2HD1  ILE  37          2HD1      ILE  37  -1.040  -4.691   1.521
  267   3HD1  ILE  37          3HD1      ILE  37  -2.123  -5.988   1.024
  268    H    CYS  38           H        CYS  38  -5.977  -5.061   1.428
  269    HA   CYS  38           HA       CYS  38  -6.988  -3.222   3.507
  270   1HB   CYS  38          1HB       CYS  38  -8.144  -5.112   4.406
  271   2HB   CYS  38          2HB       CYS  38  -8.295  -5.244   2.655
  272    H    ARG  39           H        ARG  39  -6.406  -3.713   5.826
  273    HA   ARG  39           HA       ARG  39  -3.561  -3.744   6.150
  274   1HB   ARG  39          1HB       ARG  39  -5.883  -3.946   8.059
  275   2HB   ARG  39          2HB       ARG  39  -4.226  -4.123   8.637
  276   1HG   ARG  39          1HG       ARG  39  -4.281  -1.871   6.895
  277   2HG   ARG  39          2HG       ARG  39  -5.637  -1.709   8.012
  278   1HD   ARG  39          1HD       ARG  39  -3.079  -2.594   9.221
  279   2HD   ARG  39          2HD       ARG  39  -3.109  -0.935   8.624
  280    HE   ARG  39           HE       ARG  39  -5.348  -0.875  10.053
  281   1HH1  ARG  39          1HH1      ARG  39  -2.168  -1.035  10.939
  282   2HH1  ARG  39          2HH1      ARG  39  -2.438  -1.592  12.556
  283   1HH2  ARG  39          1HH2      ARG  39  -5.810  -2.236  12.054
  284   2HH2  ARG  39          2HH2      ARG  39  -4.501  -2.272  13.188
  285    H    PHE  40           H        PHE  40  -5.785  -6.302   5.742
  286    HA   PHE  40           HA       PHE  40  -4.124  -8.262   7.192
  287   1HB   PHE  40          1HB       PHE  40  -6.837  -8.128   6.444
  288   2HB   PHE  40          2HB       PHE  40  -6.146  -9.439   5.488
  289    HD1  PHE  40           HD1      PHE  40  -5.104 -11.383   6.574
  290    HD2  PHE  40           HD2      PHE  40  -6.926  -8.244   8.868
  291    HE1  PHE  40           HE1      PHE  40  -5.087 -12.841   8.579
  292    HE2  PHE  40           HE2      PHE  40  -6.911  -9.701  10.875
  293    HZ   PHE  40           HZ       PHE  40  -5.992 -11.999  10.731
  294    H    CYS  41           H        CYS  41  -4.392  -6.959   4.018
  295    HA   CYS  41           HA       CYS  41  -3.091  -9.296   2.759
  296   1HB   CYS  41          1HB       CYS  41  -4.337  -6.753   1.782
  297   2HB   CYS  41          2HB       CYS  41  -3.114  -7.521   0.772
  298    H    TRP  42           H        TRP  42  -2.305  -6.244   4.161
  299    HA   TRP  42           HA       TRP  42   0.337  -6.102   2.857
  300   1HB   TRP  42          1HB       TRP  42  -0.825  -4.005   3.238
  301   2HB   TRP  42          2HB       TRP  42  -1.017  -4.378   4.950
  302    HD1  TRP  42           HD1      TRP  42   1.919  -4.058   2.437
  303    HE1  TRP  42           HE1      TRP  42   3.879  -2.903   3.651
  304    HE3  TRP  42           HE3      TRP  42  -0.119  -3.519   7.089
  305    HZ2  TRP  42           HZ2      TRP  42   4.499  -1.882   6.251
  306    HZ3  TRP  42           HZ3      TRP  42   1.177  -2.454   8.913
  307    HH2  TRP  42           HH2      TRP  42   3.480  -1.636   8.501
  308    H    HIS  43           H        HIS  43  -1.077  -7.010   5.955
  309    HA   HIS  43           HA       HIS  43   1.431  -7.145   7.390
  310   1HB   HIS  43          1HB       HIS  43  -1.377  -8.025   7.854
  311   2HB   HIS  43          2HB       HIS  43  -0.119  -8.851   8.775
  312    HD1  HIS  43           HD1      HIS  43   0.896  -7.606  10.719
  313    HD2  HIS  43           HD2      HIS  43  -1.363  -5.110   8.261
  314    HE1  HIS  43           HE1      HIS  43   0.768  -5.367  11.895
  315    H    ARG  44           H        ARG  44   0.108  -9.064   4.931
  316    HA   ARG  44           HA       ARG  44   1.708 -11.428   5.807
  317   1HB   ARG  44          1HB       ARG  44  -0.904 -11.300   4.899
  318   2HB   ARG  44          2HB       ARG  44  -0.009 -11.786   3.459
  319   1HG   ARG  44          1HG       ARG  44   0.711 -13.773   4.405
  320   2HG   ARG  44          2HG       ARG  44   0.634 -13.138   6.050
  321   1HD   ARG  44          1HD       ARG  44  -1.361 -14.160   6.268
  322   2HD   ARG  44          2HD       ARG  44  -2.006 -13.014   5.090
  323    HE   ARG  44           HE       ARG  44  -0.655 -15.324   3.896
  324   1HH1  ARG  44          1HH1      ARG  44  -3.368 -13.404   3.823
  325   2HH1  ARG  44          2HH1      ARG  44  -4.490 -14.674   3.465
  326   1HH2  ARG  44          1HH2      ARG  44  -2.190 -17.217   3.989
  327   2HH2  ARG  44          2HH2      ARG  44  -3.823 -16.834   3.560
  328    H    ILE  45           H        ILE  45   1.284  -9.045   3.264
  329    HA   ILE  45           HA       ILE  45   3.053 -10.361   1.374
  330    HB   ILE  45           HB       ILE  45   2.090  -7.494   1.583
  331   1HG1  ILE  45          1HG1      ILE  45   1.297  -9.603  -0.427
  332   2HG1  ILE  45          2HG1      ILE  45   0.464  -9.450   1.120
  333   1HG2  ILE  45          1HG2      ILE  45   4.267  -8.505   0.112
  334   2HG2  ILE  45          2HG2      ILE  45   2.945  -8.360  -1.047
  335   3HG2  ILE  45          3HG2      ILE  45   3.463  -6.952  -0.119
  336   1HD1  ILE  45          1HD1      ILE  45   0.217  -6.947   0.520
  337   2HD1  ILE  45          2HD1      ILE  45   0.633  -7.439  -1.122
  338   3HD1  ILE  45          3HD1      ILE  45  -0.806  -8.096  -0.343
  339    H    ARG  46           H        ARG  46   3.453  -8.027   3.982
  340    HA   ARG  46           HA       ARG  46   6.286  -7.594   3.265
  341   1HB   ARG  46          1HB       ARG  46   4.637  -5.818   4.222
  342   2HB   ARG  46          2HB       ARG  46   4.965  -6.586   5.775
  343   1HG   ARG  46          1HG       ARG  46   7.437  -6.296   5.274
  344   2HG   ARG  46          2HG       ARG  46   6.960  -5.286   3.907
  345   1HD   ARG  46          1HD       ARG  46   7.471  -4.067   6.111
  346   2HD   ARG  46          2HD       ARG  46   5.946  -3.666   5.321
  347    HE   ARG  46           HE       ARG  46   4.821  -5.158   6.973
  348   1HH1  ARG  46          1HH1      ARG  46   7.195  -6.658   7.962
  349   2HH1  ARG  46          2HH1      ARG  46   7.540  -5.866   9.464
  350   1HH2  ARG  46          1HH2      ARG  46   5.635  -3.064   8.728
  351   2HH2  ARG  46          2HH2      ARG  46   6.657  -3.831   9.896
  352    H    THR  47           H        THR  47   5.109 -10.248   4.288
  353    HA   THR  47           HA       THR  47   7.068 -10.571   6.526
  354    HB   THR  47           HB       THR  47   4.415 -12.012   6.250
  355    HG1  THR  47           HG1      THR  47   5.231  -9.695   7.574
  356   1HG2  THR  47          1HG2      THR  47   6.760 -12.646   7.681
  357   2HG2  THR  47          2HG2      THR  47   5.631 -11.997   8.870
  358   3HG2  THR  47          3HG2      THR  47   5.166 -13.374   7.873
  359    H    ASP  48           H        ASP  48   5.151 -12.476   4.165
  360    HA   ASP  48           HA       ASP  48   7.480 -14.329   3.963
  361   1HB   ASP  48          1HB       ASP  48   5.673 -15.721   2.671
  362   2HB   ASP  48          2HB       ASP  48   5.596 -15.638   4.431
  363    H    GLU  49           H        GLU  49   5.331 -12.261   2.056
  364    HA   GLU  49           HA       GLU  49   6.585 -13.034  -0.472
  365   1HB   GLU  49          1HB       GLU  49   4.183 -11.872   0.174
  366   2HB   GLU  49          2HB       GLU  49   5.111 -10.484  -0.396
  367   1HG   GLU  49          2HG       GLU  49   4.775 -11.152  -2.517
  368   2HG   GLU  49          1HG       GLU  49   5.655 -12.640  -2.170
  369    H    ASN  50           H        ASN  50   6.953 -10.565  -1.724
  370    HA   ASN  50           HA       ASN  50   9.454  -9.681  -0.399
  371   1HB   ASN  50          1HB       ASN  50   8.912 -10.252  -3.016
  372   2HB   ASN  50          2HB       ASN  50   8.702  -8.501  -3.005
  373   2HD2  ASN  50          2HD2      ASN  50  10.887  -9.565  -4.421
  374   1HD2  ASN  50          1HD2      ASN  50  12.328  -9.205  -3.597
  375    H    GLY  51           H        GLY  51   6.317  -8.802  -0.184
  376   1HA   GLY  51          2HA       GLY  51   6.831  -6.271   1.007
  377   2HA   GLY  51          1HA       GLY  51   5.241  -6.827   0.489
  378    H    LEU  52           H        LEU  52   6.429  -7.187  -2.309
  379    HA   LEU  52           HA       LEU  52   6.984  -4.412  -3.128
  380   1HB   LEU  52          1HB       LEU  52   6.947  -7.093  -4.487
  381   2HB   LEU  52          2HB       LEU  52   6.859  -5.631  -5.468
  382    HG   LEU  52           HG       LEU  52   9.016  -6.233  -3.421
  383   1HD1  LEU  52          1HD1      LEU  52   9.016  -6.290  -6.455
  384   2HD1  LEU  52          2HD1      LEU  52  10.464  -6.406  -5.455
  385   3HD1  LEU  52          3HD1      LEU  52   9.237  -7.670  -5.379
  386   1HD2  LEU  52          1HD2      LEU  52   8.125  -3.796  -4.628
  387   2HD2  LEU  52          2HD2      LEU  52   9.512  -4.042  -3.567
  388   3HD2  LEU  52          3HD2      LEU  52   9.699  -4.202  -5.314
  389    H    CYS  53           H        CYS  53   5.713  -3.747  -5.237
  390    HA   CYS  53           HA       CYS  53   2.851  -3.792  -4.510
  391   1HB   CYS  53          1HB       CYS  53   4.151  -1.690  -5.199
  392   2HB   CYS  53          2HB       CYS  53   4.091  -2.331  -6.840
  393    HA   PRO  54           HA       PRO  54   2.156  -6.893  -7.640
  394   1HB   PRO  54          1HB       PRO  54  -0.531  -7.155  -7.132
  395   2HB   PRO  54          2HB       PRO  54   0.727  -7.904  -6.134
  396   1HG   PRO  54          2HG       PRO  54  -0.984  -5.541  -5.531
  397   2HG   PRO  54          1HG       PRO  54  -0.184  -6.660  -4.415
  398   1HD   PRO  54          1HD       PRO  54   0.707  -4.051  -5.104
  399   2HD   PRO  54          2HD       PRO  54   1.629  -5.278  -4.207
  400    H    ALA  55           H        ALA  55   1.426  -3.694  -7.750
  401    HA   ALA  55           HA       ALA  55  -0.176  -3.997 -10.260
  402   1HB   ALA  55          1HB       ALA  55  -0.267  -1.825  -8.153
  403   2HB   ALA  55          3HB       ALA  55  -1.014  -1.660  -9.742
  404   3HB   ALA  55          2HB       ALA  55  -1.570  -2.913  -8.631
  405    H    CYS  56           H        CYS  56   2.130  -1.786  -8.610
  406    HA   CYS  56           HA       CYS  56   3.100  -1.021 -11.326
  407   1HB   CYS  56          1HB       CYS  56   3.756   1.059 -10.454
  408   2HB   CYS  56          2HB       CYS  56   2.248   0.733  -9.606
  409    H    ARG  57           H        ARG  57   3.884  -3.013  -8.765
  410    HA   ARG  57           HA       ARG  57   5.836  -4.210  -8.258
  411   1HB   ARG  57          1HB       ARG  57   6.305  -3.203 -11.023
  412   2HB   ARG  57          2HB       ARG  57   7.709  -3.798 -10.135
  413   1HG   ARG  57          1HG       ARG  57   5.909  -5.749  -9.555
  414   2HG   ARG  57          2HG       ARG  57   5.360  -5.281 -11.165
  415   1HD   ARG  57          2HD       ARG  57   7.024  -7.048 -11.376
  416   2HD   ARG  57          1HD       ARG  57   7.702  -5.541 -11.993
  417    HE   ARG  57           HE       ARG  57   8.635  -5.426  -9.492
  418   1HH1  ARG  57          1HH1      ARG  57   7.707  -8.504 -10.184
  419   2HH1  ARG  57          2HH1      ARG  57   9.286  -9.215 -10.134
  420   1HH2  ARG  57          1HH2      ARG  57  10.942  -6.171 -10.029
  421   2HH2  ARG  57          2HH2      ARG  57  11.118  -7.894 -10.045
  422    H    LYS  58           H        LYS  58   5.886  -2.451  -6.538
  423    HA   LYS  58           HA       LYS  58   8.547  -1.167  -6.604
  424   1HB   LYS  58          1HB       LYS  58   5.917   0.278  -6.359
  425   2HB   LYS  58          2HB       LYS  58   7.341   0.900  -5.523
  426   1HG   LYS  58          1HG       LYS  58   8.049   0.175  -8.223
  427   2HG   LYS  58          2HG       LYS  58   6.659   1.260  -8.245
  428   1HD   LYS  58          1HD       LYS  58   8.772   2.023  -6.331
  429   2HD   LYS  58          2HD       LYS  58   9.256   2.097  -8.026
  430   1HE   LYS  58          1HE       LYS  58   6.595   3.239  -7.281
  431   2HE   LYS  58          2HE       LYS  58   8.039   4.155  -6.849
  432   1HZ   LYS  58          1HZ       LYS  58   7.824   3.062  -9.562
  433   2HZ   LYS  58          2HZ       LYS  58   6.917   4.446  -9.174
  434   3HZ   LYS  58          3HZ       LYS  58   8.607   4.469  -9.022
  435    HA   PRO  59           HA       PRO  59   8.460  -2.573  -2.460
  436   1HB   PRO  59          1HB       PRO  59  10.393  -0.920  -1.396
  437   2HB   PRO  59          2HB       PRO  59  10.752  -2.310  -2.437
  438   1HG   PRO  59          2HG       PRO  59  10.818   0.599  -3.100
  439   2HG   PRO  59          1HG       PRO  59  11.735  -0.736  -3.815
  440   1HD   PRO  59          1HD       PRO  59   9.467   0.496  -4.960
  441   2HD   PRO  59          2HD       PRO  59  10.168  -1.057  -5.463
  442    H    TYR  60           H        TYR  60   6.760  -2.093  -1.139
  443    HA   TYR  60           HA       TYR  60   5.318   0.221  -0.837
  444   1HB   TYR  60          2HB       TYR  60   6.103  -1.593   1.464
  445   2HB   TYR  60          1HB       TYR  60   4.697  -0.530   1.414
  446    HD1  TYR  60           HD1      TYR  60   4.579  -1.266  -1.790
  447    HD2  TYR  60           HD2      TYR  60   4.372  -3.424   1.918
  448    HE1  TYR  60           HE1      TYR  60   3.263  -3.045  -2.898
  449    HE2  TYR  60           HE2      TYR  60   3.053  -5.205   0.806
  450    HH   TYR  60           HH       TYR  60   1.408  -5.011  -1.648
  451    HA   PRO  61           HA       PRO  61   8.067   3.145   0.991
  452   1HB   PRO  61          1HB       PRO  61   6.174   5.015   1.678
  453   2HB   PRO  61          2HB       PRO  61   6.751   4.770   0.020
  454   1HG   PRO  61          2HG       PRO  61   4.147   3.985   1.233
  455   2HG   PRO  61          1HG       PRO  61   4.542   4.306  -0.462
  456   1HD   PRO  61          1HD       PRO  61   4.241   1.748   0.735
  457   2HD   PRO  61          2HD       PRO  61   4.901   2.085  -0.881
  458    H    GLU  62           H        GLU  62   5.435   1.659   2.712
  459    HA   GLU  62           HA       GLU  62   5.669   2.874   5.258
  460   1HB   GLU  62          1HB       GLU  62   4.290   0.683   4.168
  461   2HB   GLU  62          2HB       GLU  62   5.260   0.008   5.478
  462   1HG   GLU  62          2HG       GLU  62   3.154   0.718   6.424
  463   2HG   GLU  62          1HG       GLU  62   4.391   1.853   6.964
  464    H    ASP  63           H        ASP  63   6.449   1.100   7.144
  465    HA   ASP  63           HA       ASP  63   9.319   1.261   7.047
  466   1HB   ASP  63          1HB       ASP  63   8.304   1.337   9.203
  467   2HB   ASP  63          2HB       ASP  63   7.381  -0.135   8.901
  468    HA   PRO  64           HA       PRO  64  10.067  -2.543   4.918
  469   1HB   PRO  64          1HB       PRO  64  12.772  -2.637   5.381
  470   2HB   PRO  64          2HB       PRO  64  12.025  -1.571   4.180
  471   1HG   PRO  64          2HG       PRO  64  13.176  -0.881   6.840
  472   2HG   PRO  64          1HG       PRO  64  12.978   0.137   5.403
  473   1HD   PRO  64          1HD       PRO  64  11.318   0.154   7.708
  474   2HD   PRO  64          2HD       PRO  64  10.977   0.953   6.158
  475    H    ALA  65           H        ALA  65  12.447  -2.519   7.559
  476    HA   ALA  65           HA       ALA  65  12.969  -4.228   9.100
  477   1HB   ALA  65          1HB       ALA  65  11.295  -3.297  10.460
  478   2HB   ALA  65          3HB       ALA  65  10.003  -3.771   9.357
  479   3HB   ALA  65          2HB       ALA  65  10.807  -4.987  10.349
  480    H    VAL  66           H        VAL  66  13.379  -5.499   6.927
  481    HA   VAL  66           HA       VAL  66  11.486  -7.792   6.712
  482    HB   VAL  66           HB       VAL  66  12.890  -8.308   4.636
  483   1HG1  VAL  66          1HG1      VAL  66  10.655  -7.003   4.785
  484   2HG1  VAL  66          2HG1      VAL  66  11.641  -5.565   4.525
  485   3HG1  VAL  66          3HG1      VAL  66  11.604  -6.840   3.307
  486   1HG2  VAL  66          1HG2      VAL  66  14.617  -6.476   5.726
  487   2HG2  VAL  66          2HG2      VAL  66  14.611  -6.946   4.027
  488   3HG2  VAL  66          3HG2      VAL  66  13.763  -5.488   4.541
  489    H    TYR  67           H        TYR  67  14.701  -6.917   7.721
  490    HA   TYR  67           HA       TYR  67  16.489  -8.229   8.522
  491   1HB   TYR  67          1HB       TYR  67  14.040  -9.677   9.563
  492   2HB   TYR  67          2HB       TYR  67  15.682 -10.079  10.065
  493    HD1  TYR  67           HD1      TYR  67  13.238  -7.262   9.874
  494    HD2  TYR  67           HD2      TYR  67  16.782  -8.819  11.735
  495    HE1  TYR  67           HE1      TYR  67  13.192  -5.405  11.517
  496    HE2  TYR  67           HE2      TYR  67  16.736  -6.963  13.378
  497    HH   TYR  67           HH       TYR  67  14.075  -5.034  13.894
  498    H    LYS  68           H        LYS  68  16.360  -8.781   5.927
  499    HA   LYS  68           HA       LYS  68  16.886 -11.687   5.828
  500   1HB   LYS  68          1HB       LYS  68  14.571 -10.364   4.546
  501   2HB   LYS  68          2HB       LYS  68  15.507 -11.417   3.485
  502   1HG   LYS  68          1HG       LYS  68  15.371 -13.177   5.331
  503   2HG   LYS  68          2HG       LYS  68  14.163 -12.142   6.094
  504   1HD   LYS  68          1HD       LYS  68  13.868 -12.888   3.198
  505   2HD   LYS  68          2HD       LYS  68  13.369 -14.024   4.452
  506   1HE   LYS  68          1HE       LYS  68  12.418 -11.370   5.086
  507   2HE   LYS  68          2HE       LYS  68  11.898 -11.828   3.465
  508   1HZ   LYS  68          1HZ       LYS  68  11.500 -14.088   4.891
  509   2HZ   LYS  68          2HZ       LYS  68  11.088 -12.881   6.014
  510   3HZ   LYS  68          3HZ       LYS  68  10.300 -12.946   4.514
  511    HA   PRO  69           HA       PRO  69  19.642  -8.941   3.272
  512   1HB   PRO  69          1HB       PRO  69  21.923  -9.355   4.750
  513   2HB   PRO  69          2HB       PRO  69  20.786  -8.032   5.054
  514   1HG   PRO  69          2HG       PRO  69  21.198 -10.542   6.605
  515   2HG   PRO  69          1HG       PRO  69  20.571  -8.978   7.150
  516   1HD   PRO  69          1HD       PRO  69  19.025 -11.280   6.557
  517   2HD   PRO  69          2HD       PRO  69  18.402  -9.635   6.807
  518    H    LEU  70           H        LEU  70  20.786  -9.863   1.577
  519    HA   LEU  70           HA       LEU  70  21.797 -12.652   1.943
  520   1HB   LEU  70          2HB       LEU  70  20.938 -13.288  -0.212
  521   2HB   LEU  70          1HB       LEU  70  19.606 -12.534   0.663
  522    HG   LEU  70           HG       LEU  70  20.727 -10.355  -0.534
  523   1HD1  LEU  70          1HD1      LEU  70  22.265 -12.064  -1.726
  524   2HD1  LEU  70          2HD1      LEU  70  20.830 -12.499  -2.655
  525   3HD1  LEU  70          3HD1      LEU  70  21.462 -10.855  -2.727
  526   1HD2  LEU  70          1HD2      LEU  70  18.533 -12.253  -1.318
  527   2HD2  LEU  70          2HD2      LEU  70  18.411 -10.601  -0.714
  528   3HD2  LEU  70          3HD2      LEU  70  18.919 -10.897  -2.377
  529    H    SER  71           H        SER  71  23.940 -12.726   1.484
  530    HA   SER  71           HA       SER  71  26.017 -12.189   0.532
  531   1HB   SER  71          1HB       SER  71  24.485 -12.455  -1.580
  532   2HB   SER  71          2HB       SER  71  24.581 -10.698  -1.654
  533    HG   SER  71           HG       SER  71  26.977 -11.202  -1.350
  534    H    GLN  72           H        GLN  72  27.484 -10.426   0.595
  535    HA   GLN  72           HA       GLN  72  26.342  -7.707   0.913
  536   1HB   GLN  72          1HB       GLN  72  27.647  -9.318   3.049
  537   2HB   GLN  72          2HB       GLN  72  28.108  -7.618   2.942
  538   1HG   GLN  72          1HG       GLN  72  25.339  -7.576   2.635
  539   2HG   GLN  72          2HG       GLN  72  25.608  -8.799   3.878
  540   2HE2  GLN  72          2HE2      GLN  72  25.108  -5.526   3.522
  541   1HE2  GLN  72          1HE2      GLN  72  25.888  -4.971   4.924
  542    H    GLU  73           H        GLU  73  29.549  -9.072   1.682
  543    HA   GLU  73           HA       GLU  73  30.699  -7.970  -0.784
  544   1HB   GLU  73          1HB       GLU  73  30.915  -6.600   1.850
  545   2HB   GLU  73          2HB       GLU  73  32.395  -6.718   0.899
  546   1HG   GLU  73          1HG       GLU  73  31.684  -5.127  -0.527
  547   2HG   GLU  73          2HG       GLU  73  30.156  -5.970  -0.785
  548    H    GLU  74           H        GLU  74  31.770  -9.856  -1.285
  549    HA   GLU  74           HA       GLU  74  33.870 -10.729   0.621
  550   1HB   GLU  74          1HB       GLU  74  31.605 -12.415  -0.411
  551   2HB   GLU  74          2HB       GLU  74  33.169 -13.160  -0.074
  552   1HG   GLU  74          1HG       GLU  74  33.102 -12.484   2.220
  553   2HG   GLU  74          2HG       GLU  74  31.726 -11.416   1.934
  554    H    LEU  75           H        LEU  75  32.458 -11.761  -2.514
  555    HA   LEU  75           HA       LEU  75  34.908 -12.585  -3.673
  556   1HB   LEU  75          1HB       LEU  75  32.252 -11.726  -4.746
  557   2HB   LEU  75          2HB       LEU  75  33.601 -11.856  -5.874
  558    HG   LEU  75           HG       LEU  75  32.321 -13.982  -5.700
  559   1HD1  LEU  75          1HD1      LEU  75  34.863 -13.824  -6.088
  560   2HD1  LEU  75          2HD1      LEU  75  35.029 -14.333  -4.408
  561   3HD1  LEU  75          3HD1      LEU  75  34.230 -15.388  -5.573
  562   1HD2  LEU  75          1HD2      LEU  75  31.801 -13.531  -3.209
  563   2HD2  LEU  75          2HD2      LEU  75  32.176 -15.193  -3.664
  564   3HD2  LEU  75          3HD2      LEU  75  33.404 -14.192  -2.887
  565    H    GLN  76           H        GLN  76  36.195 -11.468  -5.341
  566    HA   GLN  76           HA       GLN  76  36.840  -8.750  -4.540
  567   1HB   GLN  76          2HB       GLN  76  37.816 -10.281  -6.969
  568   2HB   GLN  76          1HB       GLN  76  38.583  -8.877  -6.226
  569   1HG   GLN  76          1HG       GLN  76  39.597 -10.146  -4.662
  570   2HG   GLN  76          2HG       GLN  76  38.099 -10.998  -4.285
  571   2HE2  GLN  76          2HE2      GLN  76  40.437 -10.858  -7.045
  572   1HE2  GLN  76          1HE2      GLN  76  40.448 -12.535  -7.303
  573    H    ARG  77           H        ARG  77  36.755  -6.880  -5.975
  574    HA   ARG  77           HA       ARG  77  34.391  -6.999  -7.783
  575   1HB   ARG  77          2HB       ARG  77  35.842  -4.603  -6.614
  576   2HB   ARG  77          1HB       ARG  77  34.358  -4.546  -7.565
  577   1HG   ARG  77          1HG       ARG  77  33.521  -6.269  -5.718
  578   2HG   ARG  77          2HG       ARG  77  34.773  -5.484  -4.756
  579   1HD   ARG  77          2HD       ARG  77  32.260  -4.325  -5.901
  580   2HD   ARG  77          1HD       ARG  77  32.972  -4.090  -4.306
  581    HE   ARG  77           HE       ARG  77  34.027  -2.809  -6.794
  582   1HH1  ARG  77          1HH1      ARG  77  36.093  -1.946  -5.567
  583   2HH1  ARG  77          2HH1      ARG  77  35.664  -0.852  -4.294
  584   1HH2  ARG  77          1HH2      ARG  77  32.338  -1.831  -4.214
  585   2HH2  ARG  77          2HH2      ARG  77  33.538  -0.785  -3.529
  586    H    ILE  78           H        ILE  78  37.459  -7.626  -8.221
  587    HA   ILE  78           HA       ILE  78  37.632  -6.071 -10.772
  588    HB   ILE  78           HB       ILE  78  39.969  -6.979  -9.067
  589   1HG1  ILE  78          1HG1      ILE  78  39.275  -4.098  -9.429
  590   2HG1  ILE  78          2HG1      ILE  78  38.295  -5.028  -8.295
  591   1HG2  ILE  78          1HG2      ILE  78  40.022  -6.519 -11.696
  592   2HG2  ILE  78          2HG2      ILE  78  40.110  -4.844 -11.153
  593   3HG2  ILE  78          3HG2      ILE  78  41.340  -6.001 -10.647
  594   1HD1  ILE  78          1HD1      ILE  78  41.321  -5.026  -8.231
  595   2HD1  ILE  78          2HD1      ILE  78  40.341  -3.906  -7.284
  596   3HD1  ILE  78          3HD1      ILE  78  40.220  -5.643  -6.999

  No H/Q in entry =         596
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1 -34.347   1.940 -13.448
    2    H2   MET   1           H2       MET   1 -35.571   3.007 -13.950
    3    H3   MET   1           H3       MET   1 -35.949   1.396 -13.568
    4    HA   MET   1           HA       MET   1 -34.755   0.580 -15.451
    5   1HB   MET   1          1HB       MET   1 -37.112   1.935 -15.572
    6   2HB   MET   1          2HB       MET   1 -36.153   2.859 -16.728
    7   1HG   MET   1          1HG       MET   1 -35.830   1.022 -18.134
    8   2HG   MET   1          2HG       MET   1 -36.133  -0.144 -16.844
    9   1HE   MET   1          1HE       MET   1 -36.889  -0.420 -19.424
   10   2HE   MET   1          2HE       MET   1 -38.558  -1.002 -19.379
   11   3HE   MET   1          3HE       MET   1 -38.180   0.540 -20.143
   12    H    SER   2           H        SER   2 -34.758   4.162 -15.596
   13    HA   SER   2           HA       SER   2 -32.087   3.972 -16.929
   14   1HB   SER   2          1HB       SER   2 -34.133   6.203 -17.113
   15   2HB   SER   2          2HB       SER   2 -32.605   6.121 -17.985
   16    HG   SER   2           HG       SER   2 -33.464   4.044 -18.803
   17    H    ARG   3           H        ARG   3 -31.080   6.433 -16.607
   18    HA   ARG   3           HA       ARG   3 -29.937   7.759 -15.043
   19   1HB   ARG   3          1HB       ARG   3 -32.701   7.978 -14.556
   20   2HB   ARG   3          2HB       ARG   3 -31.959   7.770 -12.970
   21   1HG   ARG   3          1HG       ARG   3 -30.597   9.677 -13.217
   22   2HG   ARG   3          2HG       ARG   3 -30.806   9.707 -14.969
   23   1HD   ARG   3          1HD       ARG   3 -33.051  10.186 -12.990
   24   2HD   ARG   3          2HD       ARG   3 -32.134  11.473 -13.774
   25    HE   ARG   3           HE       ARG   3 -33.013  10.583 -15.957
   26   1HH1  ARG   3          1HH1      ARG   3 -34.405   8.449 -16.259
   27   2HH1  ARG   3          2HH1      ARG   3 -35.971   8.616 -15.541
   28   1HH2  ARG   3          1HH2      ARG   3 -35.086  11.356 -13.609
   29   2HH2  ARG   3          2HH2      ARG   3 -36.357  10.262 -14.040
   30    H    SER   4           H        SER   4 -29.942   7.768 -12.256
   31    HA   SER   4           HA       SER   4 -28.700   5.136 -11.728
   32   1HB   SER   4          1HB       SER   4 -28.783   7.531  -9.883
   33   2HB   SER   4          2HB       SER   4 -27.659   6.177  -9.840
   34    HG   SER   4           HG       SER   4 -26.957   8.233 -10.875
   35    HA   PRO   5           HA       PRO   5 -32.212   3.832  -9.383
   36   1HB   PRO   5          1HB       PRO   5 -31.031   1.632  -8.236
   37   2HB   PRO   5          2HB       PRO   5 -31.578   1.682  -9.921
   38   1HG   PRO   5          2HG       PRO   5 -28.800   1.783  -8.849
   39   2HG   PRO   5          1HG       PRO   5 -29.371   1.239 -10.434
   40   1HD   PRO   5          1HD       PRO   5 -28.164   3.745  -9.859
   41   2HD   PRO   5          2HD       PRO   5 -28.989   3.296 -11.366
   42    H    ASP   6           H        ASP   6 -32.479   2.934  -6.949
   43    HA   ASP   6           HA       ASP   6 -30.845   4.723  -5.190
   44   1HB   ASP   6          1HB       ASP   6 -33.172   5.478  -5.337
   45   2HB   ASP   6          2HB       ASP   6 -33.741   3.868  -4.895
   46    H    ALA   7           H        ALA   7 -30.116   2.021  -5.859
   47    HA   ALA   7           HA       ALA   7 -30.235   0.849  -3.128
   48   1HB   ALA   7          1HB       ALA   7 -30.572  -0.899  -5.565
   49   2HB   ALA   7          3HB       ALA   7 -30.903  -1.292  -3.877
   50   3HB   ALA   7          2HB       ALA   7 -31.966  -0.189  -4.750
   51    H    LYS   8           H        LYS   8 -28.719  -1.355  -3.425
   52    HA   LYS   8           HA       LYS   8 -26.529  -2.126  -3.794
   53   1HB   LYS   8          1HB       LYS   8 -27.227  -0.640  -6.181
   54   2HB   LYS   8          2HB       LYS   8 -25.516  -0.432  -5.804
   55   1HG   LYS   8          1HG       LYS   8 -25.037  -2.676  -6.078
   56   2HG   LYS   8          2HG       LYS   8 -26.660  -3.185  -5.610
   57   1HD   LYS   8          1HD       LYS   8 -27.548  -2.776  -7.723
   58   2HD   LYS   8          2HD       LYS   8 -26.297  -1.600  -8.131
   59   1HE   LYS   8          2HE       LYS   8 -25.325  -3.281  -9.294
   60   2HE   LYS   8          1HE       LYS   8 -24.845  -3.919  -7.722
   61   1HZ   LYS   8          1HZ       LYS   8 -27.525  -4.616  -8.271
   62   2HZ   LYS   8          2HZ       LYS   8 -26.539  -5.093  -9.571
   63   3HZ   LYS   8          3HZ       LYS   8 -26.193  -5.634  -8.002
   64    H    GLU   9           H        GLU   9 -25.251  -1.538  -2.098
   65    HA   GLU   9           HA       GLU   9 -23.943   1.121  -2.213
   66   1HB   GLU   9          1HB       GLU   9 -25.547   0.070   0.131
   67   2HB   GLU   9          2HB       GLU   9 -24.366   1.371   0.283
   68   1HG   GLU   9          1HG       GLU   9 -25.616   2.842  -1.038
   69   2HG   GLU   9          2HG       GLU   9 -26.507   1.536  -1.820
   70    H    ASP  10           H        ASP  10 -21.814   0.609  -2.186
   71    HA   ASP  10           HA       ASP  10 -20.788  -1.152  -0.062
   72   1HB   ASP  10          1HB       ASP  10 -19.389  -2.349  -1.932
   73   2HB   ASP  10          2HB       ASP  10 -21.037  -2.888  -1.611
   74    HA   PRO  11           HA       PRO  11 -17.704   2.014  -0.524
   75   1HB   PRO  11          1HB       PRO  11 -16.093   1.141   1.525
   76   2HB   PRO  11          2HB       PRO  11 -17.590   2.056   1.779
   77   1HG   PRO  11          2HG       PRO  11 -17.070  -0.849   2.208
   78   2HG   PRO  11          1HG       PRO  11 -18.258   0.207   2.991
   79   1HD   PRO  11          1HD       PRO  11 -18.793  -1.646   0.915
   80   2HD   PRO  11          2HD       PRO  11 -19.888  -0.367   1.484
   81    H    VAL  12           H        VAL  12 -15.002   1.647  -0.103
   82    HA   VAL  12           HA       VAL  12 -14.143   0.298  -2.475
   83    HB   VAL  12           HB       VAL  12 -12.306   0.789  -0.141
   84   1HG1  VAL  12          1HG1      VAL  12 -12.157   0.756  -3.141
   85   2HG1  VAL  12          2HG1      VAL  12 -10.997   1.724  -2.230
   86   3HG1  VAL  12          3HG1      VAL  12 -11.096  -0.017  -1.963
   87   1HG2  VAL  12          1HG2      VAL  12 -14.031   2.744  -1.498
   88   2HG2  VAL  12          2HG2      VAL  12 -13.105   2.910  -0.007
   89   3HG2  VAL  12          3HG2      VAL  12 -12.319   3.160  -1.564
   90    H    GLU  13           H        GLU  13 -12.717  -1.633  -2.553
   91    HA   GLU  13           HA       GLU  13 -13.008  -3.467  -0.229
   92   1HB   GLU  13          1HB       GLU  13 -14.188  -3.803  -2.940
   93   2HB   GLU  13          2HB       GLU  13 -13.440  -5.230  -2.222
   94   1HG   GLU  13          1HG       GLU  13 -14.907  -4.078  -0.133
   95   2HG   GLU  13          2HG       GLU  13 -15.957  -3.942  -1.544
   96    H    CYS  14           H        CYS  14 -11.264  -4.872  -0.001
   97    HA   CYS  14           HA       CYS  14  -8.793  -4.201  -1.233
   98   1HB   CYS  14          1HB       CYS  14  -9.037  -5.414   0.941
   99   2HB   CYS  14          2HB       CYS  14  -9.539  -6.847   0.044
  100    HA   PRO  15           HA       PRO  15  -9.570  -6.363  -5.072
  101   1HB   PRO  15          1HB       PRO  15  -7.315  -5.431  -6.328
  102   2HB   PRO  15          2HB       PRO  15  -8.800  -4.481  -6.152
  103   1HG   PRO  15          2HG       PRO  15  -6.212  -4.199  -4.702
  104   2HG   PRO  15          1HG       PRO  15  -7.459  -2.982  -5.019
  105   1HD   PRO  15          1HD       PRO  15  -7.050  -4.363  -2.572
  106   2HD   PRO  15          2HD       PRO  15  -8.453  -3.358  -2.992
  107    H    LEU  16           H        LEU  16  -7.698  -7.361  -2.672
  108    HA   LEU  16           HA       LEU  16  -6.225  -9.320  -4.386
  109   1HB   LEU  16          2HB       LEU  16  -5.152  -8.808  -1.671
  110   2HB   LEU  16          1HB       LEU  16  -4.297  -9.088  -3.186
  111    HG   LEU  16           HG       LEU  16  -5.770  -6.510  -2.596
  112   1HD1  LEU  16          1HD1      LEU  16  -3.218  -7.506  -1.575
  113   2HD1  LEU  16          2HD1      LEU  16  -3.035  -6.003  -2.480
  114   3HD1  LEU  16          3HD1      LEU  16  -4.131  -6.074  -1.100
  115   1HD2  LEU  16          1HD2      LEU  16  -4.355  -7.641  -4.865
  116   2HD2  LEU  16          2HD2      LEU  16  -5.277  -6.140  -4.769
  117   3HD2  LEU  16          3HD2      LEU  16  -3.570  -6.156  -4.324
  118    H    CYS  17           H        CYS  17  -8.176  -8.759  -1.519
  119    HA   CYS  17           HA       CYS  17  -8.455 -11.723  -1.276
  120   1HB   CYS  17          2HB       CYS  17  -8.377 -11.624   1.109
  121   2HB   CYS  17          1HB       CYS  17  -6.998 -10.681   0.551
  122    H    MET  18           H        MET  18  -9.959  -8.901  -1.989
  123    HA   MET  18           HA       MET  18 -12.197  -8.249  -2.077
  124   1HB   MET  18          1HB       MET  18 -12.187 -11.199  -2.132
  125   2HB   MET  18          2HB       MET  18 -13.713 -10.488  -1.608
  126   1HG   MET  18          1HG       MET  18 -14.184  -9.712  -3.683
  127   2HG   MET  18          2HG       MET  18 -12.544  -9.107  -3.915
  128   1HE   MET  18          1HE       MET  18 -11.087  -9.840  -5.435
  129   2HE   MET  18          2HE       MET  18 -11.302 -11.178  -6.561
  130   3HE   MET  18          3HE       MET  18 -12.483  -9.873  -6.519
  131    H    GLU  19           H        GLU  19 -12.602  -6.976  -0.302
  132    HA   GLU  19           HA       GLU  19 -14.041  -8.139   1.938
  133   1HB   GLU  19          2HB       GLU  19 -12.463  -7.518   3.699
  134   2HB   GLU  19          1HB       GLU  19 -11.677  -8.629   2.579
  135   1HG   GLU  19          2HG       GLU  19 -10.035  -7.029   2.619
  136   2HG   GLU  19          1HG       GLU  19 -11.055  -6.289   1.385
  137    HA   PRO  20           HA       PRO  20 -15.561  -4.026   2.048
  138   1HB   PRO  20          1HB       PRO  20 -16.488  -3.943   4.636
  139   2HB   PRO  20          2HB       PRO  20 -17.298  -4.827   3.331
  140   1HG   PRO  20          2HG       PRO  20 -15.663  -5.894   5.587
  141   2HG   PRO  20          1HG       PRO  20 -16.972  -6.673   4.682
  142   1HD   PRO  20          1HD       PRO  20 -14.207  -7.142   4.318
  143   2HD   PRO  20          2HD       PRO  20 -15.501  -7.630   3.202
  144    H    LEU  21           H        LEU  21 -14.232  -2.257   2.102
  145    HA   LEU  21           HA       LEU  21 -12.131  -2.022   4.138
  146   1HB   LEU  21          1HB       LEU  21 -12.906  -0.489   1.668
  147   2HB   LEU  21          2HB       LEU  21 -11.791   0.225   2.835
  148    HG   LEU  21           HG       LEU  21 -11.364  -2.569   1.782
  149   1HD1  LEU  21          1HD1      LEU  21 -11.539  -0.947  -0.130
  150   2HD1  LEU  21          2HD1      LEU  21 -10.225  -0.022   0.596
  151   3HD1  LEU  21          3HD1      LEU  21  -9.938  -1.670   0.038
  152   1HD2  LEU  21          1HD2      LEU  21  -9.606  -0.423   3.007
  153   2HD2  LEU  21          2HD2      LEU  21 -10.067  -1.963   3.735
  154   3HD2  LEU  21          3HD2      LEU  21  -8.988  -1.933   2.340
  155    H    GLU  22           H        GLU  22 -11.898   0.392   5.005
  156    HA   GLU  22           HA       GLU  22 -14.582   1.361   5.889
  157   1HB   GLU  22          2HB       GLU  22 -12.181   1.235   7.727
  158   2HB   GLU  22          1HB       GLU  22 -13.867   1.527   8.158
  159   1HG   GLU  22          1HG       GLU  22 -14.466  -0.708   7.897
  160   2HG   GLU  22          2HG       GLU  22 -13.136  -1.039   6.786
  161    H    ILE  23           H        ILE  23 -13.105   3.310   7.654
  162    HA   ILE  23           HA       ILE  23 -12.564   5.281   5.521
  163    HB   ILE  23           HB       ILE  23 -12.950   5.462   8.512
  164   1HG1  ILE  23          2HG1      ILE  23 -14.783   7.003   7.762
  165   2HG1  ILE  23          1HG1      ILE  23 -14.370   6.615   6.092
  166   1HG2  ILE  23          1HG2      ILE  23 -11.982   7.603   6.597
  167   2HG2  ILE  23          2HG2      ILE  23 -12.656   7.952   8.189
  168   3HG2  ILE  23          3HG2      ILE  23 -11.165   7.021   8.047
  169   1HD1  ILE  23          1HD1      ILE  23 -14.840   4.335   7.961
  170   2HD1  ILE  23          2HD1      ILE  23 -16.247   5.250   7.418
  171   3HD1  ILE  23          3HD1      ILE  23 -15.195   4.466   6.238
  172    H    ASP  24           H        ASP  24 -10.901   3.896   8.360
  173    HA   ASP  24           HA       ASP  24  -8.414   5.280   7.815
  174   1HB   ASP  24          1HB       ASP  24  -7.497   3.508   9.434
  175   2HB   ASP  24          2HB       ASP  24  -8.749   4.580  10.064
  176    H    ASP  25           H        ASP  25  -9.616   1.989   7.155
  177    HA   ASP  25           HA       ASP  25  -7.164   1.045   5.988
  178   1HB   ASP  25          1HB       ASP  25 -10.028   0.137   5.919
  179   2HB   ASP  25          2HB       ASP  25  -8.843  -0.618   4.853
  180    H    ILE  26           H        ILE  26  -9.801   2.971   4.746
  181    HA   ILE  26           HA       ILE  26  -9.454   2.484   1.964
  182    HB   ILE  26           HB       ILE  26 -10.623   4.669   3.625
  183   1HG1  ILE  26          1HG1      ILE  26 -11.646   3.277   1.139
  184   2HG1  ILE  26          2HG1      ILE  26 -11.819   2.600   2.759
  185   1HG2  ILE  26          1HG2      ILE  26  -9.529   5.068   0.874
  186   2HG2  ILE  26          2HG2      ILE  26 -11.125   5.737   1.216
  187   3HG2  ILE  26          3HG2      ILE  26  -9.735   6.234   2.181
  188   1HD1  ILE  26          1HD1      ILE  26 -12.740   5.101   3.214
  189   2HD1  ILE  26          2HD1      ILE  26 -13.198   4.921   1.519
  190   3HD1  ILE  26          3HD1      ILE  26 -13.786   3.770   2.720
  191    H    ASN  27           H        ASN  27  -8.033   5.111   3.961
  192    HA   ASN  27           HA       ASN  27  -6.149   5.735   1.777
  193   1HB   ASN  27          2HB       ASN  27  -6.373   6.910   4.568
  194   2HB   ASN  27          1HB       ASN  27  -5.398   7.553   3.247
  195   2HD2  ASN  27          2HD2      ASN  27  -6.623   8.314   1.276
  196   1HD2  ASN  27          1HD2      ASN  27  -8.216   8.872   1.463
  197    H    PHE  28           H        PHE  28  -5.873   3.101   2.889
  198    HA   PHE  28           HA       PHE  28  -3.159   3.388   4.110
  199   1HB   PHE  28          1HB       PHE  28  -4.912   2.568   5.746
  200   2HB   PHE  28          2HB       PHE  28  -5.105   1.147   4.720
  201    HD1  PHE  28           HD1      PHE  28  -3.275  -0.480   4.449
  202    HD2  PHE  28           HD2      PHE  28  -2.897   2.909   7.062
  203    HE1  PHE  28           HE1      PHE  28  -1.288  -1.519   5.509
  204    HE2  PHE  28           HE2      PHE  28  -0.911   1.869   8.122
  205    HZ   PHE  28           HZ       PHE  28  -0.105  -0.344   7.346
  206    H    PHE  29           H        PHE  29  -1.696   2.638   2.670
  207    HA   PHE  29           HA       PHE  29  -2.207   0.073   1.293
  208   1HB   PHE  29          1HB       PHE  29  -1.325   1.274  -0.869
  209   2HB   PHE  29          2HB       PHE  29  -3.033   1.407  -0.445
  210    HD1  PHE  29           HD1      PHE  29   0.258   3.111   0.218
  211    HD2  PHE  29           HD2      PHE  29  -3.996   3.523  -0.303
  212    HE1  PHE  29           HE1      PHE  29   0.466   5.579   0.385
  213    HE2  PHE  29           HE2      PHE  29  -3.783   5.985  -0.131
  214    HZ   PHE  29           HZ       PHE  29  -1.550   7.015   0.209
  215    HA   PRO  30           HA       PRO  30   2.118  -0.221   2.033
  216   1HB   PRO  30          1HB       PRO  30   2.615  -2.397   0.434
  217   2HB   PRO  30          2HB       PRO  30   1.811  -2.504   2.009
  218   1HG   PRO  30          2HG       PRO  30   0.631  -2.738  -0.716
  219   2HG   PRO  30          1HG       PRO  30   0.051  -3.408   0.819
  220   1HD   PRO  30          1HD       PRO  30  -0.960  -1.096  -0.487
  221   2HD   PRO  30          2HD       PRO  30  -1.329  -1.613   1.172
  222    H    CYS  31           H        CYS  31   0.811   0.994  -0.738
  223    HA   CYS  31           HA       CYS  31   3.494   1.584  -1.851
  224   1HB   CYS  31          1HB       CYS  31   2.545  -0.439  -3.042
  225   2HB   CYS  31          2HB       CYS  31   1.254   0.611  -3.631
  226    H    THR  32           H        THR  32   3.429   3.428  -3.371
  227    HA   THR  32           HA       THR  32   1.349   5.353  -2.546
  228    HB   THR  32           HB       THR  32   3.211   6.437  -4.450
  229    HG1  THR  32           HG1      THR  32   4.604   4.803  -3.904
  230   1HG2  THR  32          1HG2      THR  32   2.016   7.659  -2.653
  231   2HG2  THR  32          2HG2      THR  32   2.961   6.783  -1.450
  232   3HG2  THR  32          3HG2      THR  32   3.762   7.894  -2.560
  233    H    CYS  33           H        CYS  33   2.287   3.531  -5.409
  234    HA   CYS  33           HA       CYS  33   1.180   4.960  -7.496
  235   1HB   CYS  33          1HB       CYS  33   0.692   2.873  -8.610
  236   2HB   CYS  33          2HB       CYS  33   2.167   2.654  -7.669
  237    H    GLY  34           H        GLY  34  -0.609   3.230  -4.971
  238   1HA   GLY  34          2HA       GLY  34  -3.090   4.510  -6.052
  239   2HA   GLY  34          1HA       GLY  34  -2.772   4.324  -4.326
  240    H    TYR  35           H        TYR  35  -1.649   1.570  -4.788
  241    HA   TYR  35           HA       TYR  35  -3.987   0.068  -5.777
  242   1HB   TYR  35          1HB       TYR  35  -1.392  -0.533  -5.951
  243   2HB   TYR  35          2HB       TYR  35  -1.705  -1.277  -4.384
  244    HD1  TYR  35           HD1      TYR  35  -3.949  -0.924  -7.356
  245    HD2  TYR  35           HD2      TYR  35  -1.781  -3.601  -4.786
  246    HE1  TYR  35           HE1      TYR  35  -4.999  -2.864  -8.489
  247    HE2  TYR  35           HE2      TYR  35  -2.828  -5.537  -5.922
  248    HH   TYR  35           HH       TYR  35  -4.249  -6.206  -7.478
  249    H    GLN  36           H        GLN  36  -5.061   1.407  -3.872
  250    HA   GLN  36           HA       GLN  36  -4.813   0.953  -1.183
  251   1HB   GLN  36          1HB       GLN  36  -6.630   2.265  -2.422
  252   2HB   GLN  36          2HB       GLN  36  -7.503   0.737  -2.546
  253   1HG   GLN  36          1HG       GLN  36  -7.517   0.505  -0.116
  254   2HG   GLN  36          2HG       GLN  36  -6.543   1.966   0.055
  255   2HE2  GLN  36          2HE2      GLN  36  -7.640   3.938  -1.263
  256   1HE2  GLN  36          1HE2      GLN  36  -9.306   4.118  -0.992
  257    H    ILE  37           H        ILE  37  -4.955  -0.757   0.183
  258    HA   ILE  37           HA       ILE  37  -6.375  -3.215  -0.689
  259    HB   ILE  37           HB       ILE  37  -4.390  -4.554   0.217
  260   1HG1  ILE  37          2HG1      ILE  37  -2.274  -2.899  -0.375
  261   2HG1  ILE  37          1HG1      ILE  37  -3.390  -1.789   0.423
  262   1HG2  ILE  37          1HG2      ILE  37  -4.189  -2.905  -2.311
  263   2HG2  ILE  37          2HG2      ILE  37  -3.074  -4.218  -1.932
  264   3HG2  ILE  37          3HG2      ILE  37  -4.791  -4.553  -2.143
  265   1HD1  ILE  37          1HD1      ILE  37  -3.210  -4.383   1.773
  266   2HD1  ILE  37          2HD1      ILE  37  -1.667  -3.533   1.715
  267   3HD1  ILE  37          3HD1      ILE  37  -3.073  -2.758   2.443
  268    H    CYS  38           H        CYS  38  -6.137  -4.842   1.354
  269    HA   CYS  38           HA       CYS  38  -7.126  -3.262   3.644
  270   1HB   CYS  38          2HB       CYS  38  -8.070  -5.278   4.457
  271   2HB   CYS  38          1HB       CYS  38  -8.269  -5.382   2.710
  272    H    ARG  39           H        ARG  39  -6.358  -4.229   5.891
  273    HA   ARG  39           HA       ARG  39  -3.426  -3.996   5.871
  274   1HB   ARG  39          1HB       ARG  39  -5.584  -3.673   7.833
  275   2HB   ARG  39          2HB       ARG  39  -4.167  -4.493   8.490
  276   1HG   ARG  39          1HG       ARG  39  -2.765  -2.639   7.444
  277   2HG   ARG  39          2HG       ARG  39  -4.278  -1.781   7.154
  278   1HD   ARG  39          1HD       ARG  39  -3.038  -2.545   9.797
  279   2HD   ARG  39          2HD       ARG  39  -3.531  -0.946   9.240
  280    HE   ARG  39           HE       ARG  39  -5.867  -2.513   9.281
  281   1HH1  ARG  39          1HH1      ARG  39  -3.605  -0.924  11.307
  282   2HH1  ARG  39          2HH1      ARG  39  -4.558  -1.091  12.745
  283   1HH2  ARG  39          1HH2      ARG  39  -7.039  -2.957  11.199
  284   2HH2  ARG  39          2HH2      ARG  39  -6.504  -2.242  12.683
  285    H    PHE  40           H        PHE  40  -5.715  -6.535   5.848
  286    HA   PHE  40           HA       PHE  40  -3.996  -8.451   7.264
  287   1HB   PHE  40          1HB       PHE  40  -6.477  -8.956   5.593
  288   2HB   PHE  40          2HB       PHE  40  -5.724 -10.087   6.717
  289    HD1  PHE  40           HD1      PHE  40  -5.123  -8.633   9.087
  290    HD2  PHE  40           HD2      PHE  40  -8.482  -8.135   6.455
  291    HE1  PHE  40           HE1      PHE  40  -6.436  -7.654  10.948
  292    HE2  PHE  40           HE2      PHE  40  -9.794  -7.157   8.317
  293    HZ   PHE  40           HZ       PHE  40  -8.772  -6.915  10.564
  294    H    CYS  41           H        CYS  41  -4.215  -7.180   4.110
  295    HA   CYS  41           HA       CYS  41  -3.052  -9.579   2.830
  296   1HB   CYS  41          1HB       CYS  41  -4.190  -6.984   1.881
  297   2HB   CYS  41          2HB       CYS  41  -2.976  -7.758   0.862
  298    H    TRP  42           H        TRP  42  -2.100  -6.510   4.158
  299    HA   TRP  42           HA       TRP  42   0.561  -6.595   2.892
  300   1HB   TRP  42          1HB       TRP  42  -0.454  -4.407   3.225
  301   2HB   TRP  42          2HB       TRP  42  -0.664  -4.729   4.946
  302    HD1  TRP  42           HD1      TRP  42   2.226  -4.545   2.378
  303    HE1  TRP  42           HE1      TRP  42   4.297  -3.582   3.571
  304    HE3  TRP  42           HE3      TRP  42   0.379  -4.092   7.117
  305    HZ2  TRP  42           HZ2      TRP  42   5.071  -2.737   6.193
  306    HZ3  TRP  42           HZ3      TRP  42   1.805  -3.208   8.942
  307    HH2  TRP  42           HH2      TRP  42   4.146  -2.531   8.486
  308    H    HIS  43           H        HIS  43  -0.957  -7.310   5.986
  309    HA   HIS  43           HA       HIS  43   1.408  -7.530   7.566
  310   1HB   HIS  43          1HB       HIS  43  -1.398  -8.178   7.826
  311   2HB   HIS  43          2HB       HIS  43  -0.409  -9.485   8.479
  312    HD1  HIS  43           HD1      HIS  43  -0.131  -9.119  10.923
  313    HD2  HIS  43           HD2      HIS  43   0.066  -5.530   8.813
  314    HE1  HIS  43           HE1      HIS  43   0.374  -7.314  12.626
  315    H    ARG  44           H        ARG  44   0.293  -9.440   4.965
  316    HA   ARG  44           HA       ARG  44   1.969 -11.747   5.852
  317   1HB   ARG  44          1HB       ARG  44  -0.409 -12.213   5.213
  318   2HB   ARG  44          2HB       ARG  44  -0.045 -11.631   3.588
  319   1HG   ARG  44          1HG       ARG  44   0.842 -13.621   3.030
  320   2HG   ARG  44          2HG       ARG  44   1.960 -13.537   4.393
  321   1HD   ARG  44          1HD       ARG  44  -0.901 -14.243   4.933
  322   2HD   ARG  44          2HD       ARG  44   0.158 -15.477   4.251
  323    HE   ARG  44           HE       ARG  44   1.320 -15.555   6.314
  324   1HH1  ARG  44          1HH1      ARG  44   2.299 -13.261   7.287
  325   2HH1  ARG  44          2HH1      ARG  44   1.156 -12.605   8.411
  326   1HH2  ARG  44          1HH2      ARG  44  -1.486 -14.529   7.254
  327   2HH2  ARG  44          2HH2      ARG  44  -0.988 -13.323   8.393
  328    H    ILE  45           H        ILE  45   1.495  -9.390   3.259
  329    HA   ILE  45           HA       ILE  45   3.411 -10.502   1.437
  330    HB   ILE  45           HB       ILE  45   2.375  -7.683   1.825
  331   1HG1  ILE  45          1HG1      ILE  45   1.900  -9.406  -0.575
  332   2HG1  ILE  45          2HG1      ILE  45   1.025  -9.790   0.907
  333   1HG2  ILE  45          1HG2      ILE  45   4.695  -8.570   0.379
  334   2HG2  ILE  45          2HG2      ILE  45   3.464  -8.057  -0.775
  335   3HG2  ILE  45          3HG2      ILE  45   4.018  -6.944   0.476
  336   1HD1  ILE  45          1HD1      ILE  45   0.641  -7.122   0.863
  337   2HD1  ILE  45          2HD1      ILE  45   0.791  -7.415  -0.871
  338   3HD1  ILE  45          3HD1      ILE  45  -0.453  -8.251   0.060
  339    H    ARG  46           H        ARG  46   3.716  -8.395   4.241
  340    HA   ARG  46           HA       ARG  46   6.577  -7.915   3.683
  341   1HB   ARG  46          1HB       ARG  46   4.566  -6.889   5.637
  342   2HB   ARG  46          2HB       ARG  46   6.261  -6.848   6.117
  343   1HG   ARG  46          1HG       ARG  46   5.314  -5.772   3.455
  344   2HG   ARG  46          2HG       ARG  46   5.367  -4.771   4.902
  345   1HD   ARG  46          1HD       ARG  46   7.584  -5.770   3.220
  346   2HD   ARG  46          2HD       ARG  46   7.494  -4.322   4.219
  347    HE   ARG  46           HE       ARG  46   8.302  -7.021   5.164
  348   1HH1  ARG  46          1HH1      ARG  46   6.710  -4.654   6.731
  349   2HH1  ARG  46          2HH1      ARG  46   8.000  -4.169   7.781
  350   1HH2  ARG  46          1HH2      ARG  46  10.420  -5.979   6.080
  351   2HH2  ARG  46          2HH2      ARG  46  10.100  -4.918   7.412
  352    H    THR  47           H        THR  47   5.197 -10.607   4.516
  353    HA   THR  47           HA       THR  47   7.136 -11.203   6.716
  354    HB   THR  47           HB       THR  47   4.728 -12.923   6.392
  355    HG1  THR  47           HG1      THR  47   3.828 -10.873   6.239
  356   1HG2  THR  47          1HG2      THR  47   6.357 -11.802   8.679
  357   2HG2  THR  47          2HG2      THR  47   4.883 -12.737   8.925
  358   3HG2  THR  47          3HG2      THR  47   6.275 -13.476   8.133
  359    H    ASP  48           H        ASP  48   5.228 -12.804   4.133
  360    HA   ASP  48           HA       ASP  48   7.580 -14.603   3.718
  361   1HB   ASP  48          2HB       ASP  48   4.709 -15.150   2.924
  362   2HB   ASP  48          1HB       ASP  48   6.052 -16.293   2.937
  363    H    GLU  49           H        GLU  49   6.912 -11.877   2.522
  364    HA   GLU  49           HA       GLU  49   7.081 -12.751  -0.333
  365   1HB   GLU  49          1HB       GLU  49   5.028 -11.220   0.826
  366   2HB   GLU  49          2HB       GLU  49   6.039 -10.059  -0.038
  367   1HG   GLU  49          2HG       GLU  49   4.345 -10.925  -1.563
  368   2HG   GLU  49          1HG       GLU  49   5.926 -11.532  -2.055
  369    H    ASN  50           H        ASN  50   7.500 -10.036  -1.254
  370    HA   ASN  50           HA       ASN  50  10.242  -9.594  -0.145
  371   1HB   ASN  50          1HB       ASN  50   9.313  -9.944  -2.821
  372   2HB   ASN  50          2HB       ASN  50   9.867  -8.277  -2.663
  373   2HD2  ASN  50          2HD2      ASN  50  11.821  -8.700  -3.926
  374   1HD2  ASN  50          1HD2      ASN  50  13.099  -9.619  -3.292
  375    H    GLY  51           H        GLY  51   7.143  -8.303  -0.233
  376   1HA   GLY  51          2HA       GLY  51   8.089  -5.769   0.879
  377   2HA   GLY  51          1HA       GLY  51   6.404  -6.261   0.709
  378    H    LEU  52           H        LEU  52   6.825  -6.916  -2.181
  379    HA   LEU  52           HA       LEU  52   7.314  -4.198  -3.289
  380   1HB   LEU  52          1HB       LEU  52   7.184  -6.950  -4.534
  381   2HB   LEU  52          2HB       LEU  52   7.145  -5.485  -5.514
  382    HG   LEU  52           HG       LEU  52   9.357  -6.430  -3.679
  383   1HD1  LEU  52          1HD1      LEU  52   8.894  -6.169  -6.600
  384   2HD1  LEU  52          2HD1      LEU  52  10.492  -5.687  -6.027
  385   3HD1  LEU  52          3HD1      LEU  52   9.899  -7.320  -5.718
  386   1HD2  LEU  52          1HD2      LEU  52   8.701  -3.693  -4.715
  387   2HD2  LEU  52          2HD2      LEU  52   9.415  -4.162  -3.172
  388   3HD2  LEU  52          3HD2      LEU  52  10.395  -4.180  -4.638
  389    H    CYS  53           H        CYS  53   5.787  -3.712  -5.234
  390    HA   CYS  53           HA       CYS  53   3.036  -3.908  -4.192
  391   1HB   CYS  53          1HB       CYS  53   4.097  -1.753  -5.048
  392   2HB   CYS  53          2HB       CYS  53   3.973  -2.444  -6.665
  393    HA   PRO  54           HA       PRO  54   2.250  -7.160  -7.156
  394   1HB   PRO  54          1HB       PRO  54  -0.332  -7.620  -6.328
  395   2HB   PRO  54          2HB       PRO  54   1.091  -8.258  -5.486
  396   1HG   PRO  54          2HG       PRO  54  -0.710  -6.019  -4.695
  397   2HG   PRO  54          1HG       PRO  54   0.295  -7.063  -3.677
  398   1HD   PRO  54          1HD       PRO  54   0.909  -4.406  -4.462
  399   2HD   PRO  54          2HD       PRO  54   2.025  -5.560  -3.700
  400    H    ALA  55           H        ALA  55   1.203  -4.032  -7.112
  401    HA   ALA  55           HA       ALA  55  -0.693  -4.430  -9.387
  402   1HB   ALA  55          1HB       ALA  55  -0.549  -2.457  -7.156
  403   2HB   ALA  55          3HB       ALA  55  -1.088  -1.851  -8.723
  404   3HB   ALA  55          2HB       ALA  55  -1.958  -3.169  -7.941
  405    H    CYS  56           H        CYS  56   1.659  -1.967  -8.244
  406    HA   CYS  56           HA       CYS  56   2.317  -1.451 -11.096
  407   1HB   CYS  56          1HB       CYS  56   3.047   0.697 -10.451
  408   2HB   CYS  56          2HB       CYS  56   1.636   0.415  -9.437
  409    H    ARG  57           H        ARG  57   3.511  -3.091  -8.384
  410    HA   ARG  57           HA       ARG  57   5.438  -4.454  -8.296
  411   1HB   ARG  57          2HB       ARG  57   6.721  -4.741 -10.151
  412   2HB   ARG  57          1HB       ARG  57   5.460  -3.792 -10.928
  413   1HG   ARG  57          2HG       ARG  57   7.290  -2.567 -11.602
  414   2HG   ARG  57          1HG       ARG  57   6.992  -1.768 -10.060
  415   1HD   ARG  57          1HD       ARG  57   8.535  -3.788  -9.184
  416   2HD   ARG  57          2HD       ARG  57   9.162  -3.658 -10.827
  417    HE   ARG  57           HE       ARG  57   9.273  -1.505  -8.776
  418   1HH1  ARG  57          1HH1      ARG  57   9.083  -1.242 -11.987
  419   2HH1  ARG  57          2HH1      ARG  57  10.719  -0.760 -12.286
  420   1HH2  ARG  57          1HH2      ARG  57  11.817  -1.559  -9.096
  421   2HH2  ARG  57          2HH2      ARG  57  12.267  -0.939 -10.649
  422    H    LYS  58           H        LYS  58   5.759  -0.938  -8.617
  423    HA   LYS  58           HA       LYS  58   8.285  -0.475  -7.570
  424   1HB   LYS  58          1HB       LYS  58   5.704   0.952  -6.870
  425   2HB   LYS  58          2HB       LYS  58   7.305   1.548  -6.436
  426   1HG   LYS  58          1HG       LYS  58   7.925   1.894  -8.683
  427   2HG   LYS  58          2HG       LYS  58   6.645   0.844  -9.292
  428   1HD   LYS  58          1HD       LYS  58   5.010   2.460  -9.049
  429   2HD   LYS  58          2HD       LYS  58   5.843   3.251  -7.710
  430   1HE   LYS  58          2HE       LYS  58   6.336   4.799  -9.328
  431   2HE   LYS  58          1HE       LYS  58   7.654   3.676  -9.668
  432   1HZ   LYS  58          1HZ       LYS  58   5.249   2.881 -10.962
  433   2HZ   LYS  58          2HZ       LYS  58   5.681   4.464 -11.404
  434   3HZ   LYS  58          3HZ       LYS  58   6.778   3.186 -11.630
  435    HA   PRO  59           HA       PRO  59   8.348  -2.167  -3.530
  436   1HB   PRO  59          1HB       PRO  59  10.190  -0.492  -2.363
  437   2HB   PRO  59          2HB       PRO  59  10.613  -1.760  -3.527
  438   1HG   PRO  59          2HG       PRO  59  10.494   1.193  -3.930
  439   2HG   PRO  59          1HG       PRO  59  11.464  -0.019  -4.784
  440   1HD   PRO  59          1HD       PRO  59   9.087   1.180  -5.747
  441   2HD   PRO  59          2HD       PRO  59   9.882  -0.256  -6.427
  442    H    TYR  60           H        TYR  60   7.514  -1.834  -1.422
  443    HA   TYR  60           HA       TYR  60   5.488   0.103  -1.053
  444   1HB   TYR  60          1HB       TYR  60   7.096  -1.481   0.970
  445   2HB   TYR  60          2HB       TYR  60   5.679  -0.527   1.392
  446    HD1  TYR  60           HD1      TYR  60   4.945  -1.526  -1.809
  447    HD2  TYR  60           HD2      TYR  60   5.384  -3.207   2.120
  448    HE1  TYR  60           HE1      TYR  60   3.479  -3.418  -2.452
  449    HE2  TYR  60           HE2      TYR  60   3.917  -5.099   1.475
  450    HH   TYR  60           HH       TYR  60   3.341  -6.130  -1.248
  451    HA   PRO  61           HA       PRO  61   7.636   3.712   0.221
  452   1HB   PRO  61          1HB       PRO  61   5.898   4.735   2.091
  453   2HB   PRO  61          2HB       PRO  61   5.609   4.800   0.344
  454   1HG   PRO  61          2HG       PRO  61   4.351   3.025   2.393
  455   2HG   PRO  61          1HG       PRO  61   3.689   3.613   0.859
  456   1HD   PRO  61          1HD       PRO  61   4.723   1.038   1.298
  457   2HD   PRO  61          2HD       PRO  61   4.448   1.782  -0.290
  458    H    GLU  62           H        GLU  62   9.483   2.859   1.305
  459    HA   GLU  62           HA       GLU  62   9.716   1.553   3.721
  460   1HB   GLU  62          1HB       GLU  62  11.682   2.118   2.395
  461   2HB   GLU  62          2HB       GLU  62  11.442   3.836   2.716
  462   1HG   GLU  62          2HG       GLU  62  13.153   3.021   4.228
  463   2HG   GLU  62          1HG       GLU  62  11.696   3.345   5.168
  464    H    ASP  63           H        ASP  63   9.833   2.183   5.932
  465    HA   ASP  63           HA       ASP  63   8.775   4.919   6.515
  466   1HB   ASP  63          1HB       ASP  63   7.914   2.234   7.540
  467   2HB   ASP  63          2HB       ASP  63   7.792   3.632   8.608
  468    HA   PRO  64           HA       PRO  64  12.270   5.205   9.172
  469   1HB   PRO  64          1HB       PRO  64  11.395   7.315  10.703
  470   2HB   PRO  64          2HB       PRO  64  11.996   7.492   9.046
  471   1HG   PRO  64          2HG       PRO  64   9.188   7.609  10.047
  472   2HG   PRO  64          1HG       PRO  64   9.902   8.375   8.619
  473   1HD   PRO  64          1HD       PRO  64   8.309   6.038   8.615
  474   2HD   PRO  64          2HD       PRO  64   9.311   6.618   7.268
  475    H    ALA  65           H        ALA  65   9.374   3.930  10.090
  476    HA   ALA  65           HA       ALA  65   8.786   2.627  11.955
  477   1HB   ALA  65          1HB       ALA  65  10.626   1.619  12.771
  478   2HB   ALA  65          2HB       ALA  65  11.644   2.923  12.158
  479   3HB   ALA  65          3HB       ALA  65  10.929   3.043  13.766
  480    H    VAL  66           H        VAL  66   7.413   3.276  13.546
  481    HA   VAL  66           HA       VAL  66   6.835   5.902  14.188
  482    HB   VAL  66           HB       VAL  66   5.842   5.043  16.307
  483   1HG1  VAL  66          1HG1      VAL  66   5.460   3.729  13.654
  484   2HG1  VAL  66          2HG1      VAL  66   4.635   3.016  15.041
  485   3HG1  VAL  66          3HG1      VAL  66   4.329   4.696  14.601
  486   1HG2  VAL  66          1HG2      VAL  66   7.760   3.425  16.726
  487   2HG2  VAL  66          2HG2      VAL  66   6.150   2.745  16.964
  488   3HG2  VAL  66          3HG2      VAL  66   7.049   2.385  15.492
  489    H    TYR  67           H        TYR  67   9.489   3.976  15.390
  490    HA   TYR  67           HA       TYR  67  10.149   5.458  17.720
  491   1HB   TYR  67          1HB       TYR  67  11.829   3.892  15.758
  492   2HB   TYR  67          2HB       TYR  67  12.528   4.657  17.186
  493    HD1  TYR  67           HD1      TYR  67  10.370   4.316  19.177
  494    HD2  TYR  67           HD2      TYR  67  11.869   1.583  16.221
  495    HE1  TYR  67           HE1      TYR  67   9.618   2.403  20.563
  496    HE2  TYR  67           HE2      TYR  67  11.118  -0.330  17.609
  497    HH   TYR  67           HH       TYR  67  10.632  -0.772  20.016
  498    H    LYS  68           H        LYS  68  11.836   7.083  17.993
  499    HA   LYS  68           HA       LYS  68  13.292   8.460  16.107
  500   1HB   LYS  68          1HB       LYS  68  10.468   8.878  15.649
  501   2HB   LYS  68          2HB       LYS  68  11.249  10.405  16.063
  502   1HG   LYS  68          1HG       LYS  68  13.094   9.392  14.358
  503   2HG   LYS  68          2HG       LYS  68  11.632   8.668  13.688
  504   1HD   LYS  68          1HD       LYS  68  10.626  10.778  13.302
  505   2HD   LYS  68          2HD       LYS  68  11.767  11.607  14.362
  506   1HE   LYS  68          1HE       LYS  68  13.053  12.034  12.566
  507   2HE   LYS  68          2HE       LYS  68  13.326  10.300  12.399
  508   1HZ   LYS  68          1HZ       LYS  68  10.957  11.704  11.296
  509   2HZ   LYS  68          2HZ       LYS  68  12.368  11.395  10.400
  510   3HZ   LYS  68          3HZ       LYS  68  11.442  10.103  10.994
  511    HA   PRO  69           HA       PRO  69  12.330  11.435  19.714
  512   1HB   PRO  69          1HB       PRO  69  10.155  10.877  21.292
  513   2HB   PRO  69          2HB       PRO  69  10.069  11.874  19.831
  514   1HG   PRO  69          2HG       PRO  69   9.127   9.078  20.248
  515   2HG   PRO  69          1HG       PRO  69   8.554  10.295  19.094
  516   1HD   PRO  69          1HD       PRO  69  10.280   8.118  18.510
  517   2HD   PRO  69          2HD       PRO  69   9.931   9.500  17.452
  518    H    LEU  70           H        LEU  70  14.161   9.672  20.154
  519    HA   LEU  70           HA       LEU  70  13.594   8.507  22.849
  520   1HB   LEU  70          1HB       LEU  70  14.390   7.137  20.432
  521   2HB   LEU  70          2HB       LEU  70  15.634   6.958  21.671
  522    HG   LEU  70           HG       LEU  70  13.362   6.589  23.148
  523   1HD1  LEU  70          1HD1      LEU  70  12.568   6.338  20.423
  524   2HD1  LEU  70          2HD1      LEU  70  12.570   4.720  21.123
  525   3HD1  LEU  70          3HD1      LEU  70  11.612   6.000  21.865
  526   1HD2  LEU  70          1HD2      LEU  70  15.316   4.791  21.779
  527   2HD2  LEU  70          2HD2      LEU  70  15.012   5.011  23.502
  528   3HD2  LEU  70          3HD2      LEU  70  13.908   4.040  22.528
  529    H    SER  71           H        SER  71  15.710   8.067  24.052
  530    HA   SER  71           HA       SER  71  17.293  10.504  24.046
  531   1HB   SER  71          1HB       SER  71  18.607   9.221  25.831
  532   2HB   SER  71          2HB       SER  71  16.904   9.511  26.176
  533    HG   SER  71           HG       SER  71  17.875   7.163  24.915
  534    H    GLN  72           H        GLN  72  17.421   7.887  22.041
  535    HA   GLN  72           HA       GLN  72  20.164   7.158  21.975
  536   1HB   GLN  72          1HB       GLN  72  19.729   6.541  19.595
  537   2HB   GLN  72          2HB       GLN  72  18.487   5.932  20.690
  538   1HG   GLN  72          1HG       GLN  72  16.875   7.323  19.855
  539   2HG   GLN  72          2HG       GLN  72  18.014   8.638  19.568
  540   2HE2  GLN  72          2HE2      GLN  72  16.459   5.862  18.113
  541   1HE2  GLN  72          1HE2      GLN  72  17.163   6.026  16.577
  542    H    GLU  73           H        GLU  73  18.547  10.052  20.939
  543    HA   GLU  73           HA       GLU  73  19.317  11.905  19.680
  544   1HB   GLU  73          1HB       GLU  73  21.171  12.980  20.778
  545   2HB   GLU  73          2HB       GLU  73  20.243  12.136  22.018
  546   1HG   GLU  73          1HG       GLU  73  21.821  10.238  21.901
  547   2HG   GLU  73          2HG       GLU  73  22.756  11.096  20.676
  548    H    GLU  74           H        GLU  74  22.107  12.557  19.158
  549    HA   GLU  74           HA       GLU  74  22.828  10.408  17.211
  550   1HB   GLU  74          1HB       GLU  74  22.767  13.400  16.711
  551   2HB   GLU  74          2HB       GLU  74  23.452  12.214  15.600
  552   1HG   GLU  74          1HG       GLU  74  20.744  11.520  16.486
  553   2HG   GLU  74          2HG       GLU  74  20.815  13.052  15.613
  554    H    LEU  75           H        LEU  75  25.092  10.236  16.781
  555    HA   LEU  75           HA       LEU  75  26.944  12.033  18.205
  556   1HB   LEU  75          1HB       LEU  75  26.119   9.506  19.318
  557   2HB   LEU  75          2HB       LEU  75  27.829   9.427  18.890
  558    HG   LEU  75           HG       LEU  75  26.703  11.791  20.389
  559   1HD1  LEU  75          1HD1      LEU  75  26.322   9.438  21.490
  560   2HD1  LEU  75          2HD1      LEU  75  28.060   9.494  21.776
  561   3HD1  LEU  75          3HD1      LEU  75  27.015  10.741  22.455
  562   1HD2  LEU  75          1HD2      LEU  75  29.071  11.550  19.211
  563   2HD2  LEU  75          2HD2      LEU  75  28.931  12.318  20.792
  564   3HD2  LEU  75          3HD2      LEU  75  29.458  10.640  20.670
  565    H    GLN  76           H        GLN  76  29.047  11.942  17.305
  566    HA   GLN  76           HA       GLN  76  29.270  10.203  14.882
  567   1HB   GLN  76          1HB       GLN  76  29.218  12.739  14.572
  568   2HB   GLN  76          2HB       GLN  76  30.789  12.772  15.373
  569   1HG   GLN  76          1HG       GLN  76  31.695  11.232  13.676
  570   2HG   GLN  76          2HG       GLN  76  30.125  11.184  12.875
  571   2HE2  GLN  76          2HE2      GLN  76  31.832  12.063  11.107
  572   1HE2  GLN  76          1HE2      GLN  76  31.905  13.754  10.984
  573    H    ARG  77           H        ARG  77  31.485  11.929  17.117
  574    HA   ARG  77           HA       ARG  77  33.477  11.198  18.119
  575   1HB   ARG  77          1HB       ARG  77  32.191   8.476  17.733
  576   2HB   ARG  77          2HB       ARG  77  33.574   8.817  18.774
  577   1HG   ARG  77          1HG       ARG  77  31.375  10.641  19.314
  578   2HG   ARG  77          2HG       ARG  77  30.874   8.960  19.501
  579   1HD   ARG  77          1HD       ARG  77  32.417   8.546  21.197
  580   2HD   ARG  77          2HD       ARG  77  33.486   9.851  20.683
  581    HE   ARG  77           HE       ARG  77  30.960  10.220  22.223
  582   1HH1  ARG  77          1HH1      ARG  77  32.901  11.999  20.189
  583   2HH1  ARG  77          2HH1      ARG  77  33.328  13.215  21.348
  584   1HH2  ARG  77          1HH2      ARG  77  31.945  11.516  24.035
  585   2HH2  ARG  77          2HH2      ARG  77  32.788  12.941  23.525
  586    H    ILE  78           H        ILE  78  35.214   9.179  17.647
  587    HA   ILE  78           HA       ILE  78  35.515   8.293  14.965
  588    HB   ILE  78           HB       ILE  78  35.718  10.572  14.257
  589   1HG1  ILE  78          1HG1      ILE  78  38.617  10.200  14.493
  590   2HG1  ILE  78          2HG1      ILE  78  37.783   8.734  13.975
  591   1HG2  ILE  78          1HG2      ILE  78  36.129  11.419  16.620
  592   2HG2  ILE  78          2HG2      ILE  78  37.825  10.990  16.393
  593   3HG2  ILE  78          3HG2      ILE  78  37.079  12.213  15.365
  594   1HD1  ILE  78          1HD1      ILE  78  36.519  10.620  12.453
  595   2HD1  ILE  78          2HD1      ILE  78  38.145  11.299  12.551
  596   3HD1  ILE  78          3HD1      ILE  78  37.904   9.674  11.905

  No H/Q in entry =         596
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1 -31.636   1.664   8.075
    2    H2   MET   1           H2       MET   1 -30.385   1.657   9.224
    3    H3   MET   1           H3       MET   1 -30.350   2.760   7.931
    4    HA   MET   1           HA       MET   1 -29.694   1.213   6.411
    5   1HB   MET   1          1HB       MET   1 -28.043   1.426   8.350
    6   2HB   MET   1          2HB       MET   1 -28.682  -0.109   8.939
    7   1HG   MET   1          2HG       MET   1 -26.954  -0.903   7.628
    8   2HG   MET   1          1HG       MET   1 -28.231  -0.843   6.413
    9   1HE   MET   1          1HE       MET   1 -25.150   0.049   7.766
   10   2HE   MET   1          2HE       MET   1 -24.302   1.046   6.587
   11   3HE   MET   1          3HE       MET   1 -25.260   1.805   7.867
   12    H    SER   2           H        SER   2 -30.878  -0.621   9.251
   13    HA   SER   2           HA       SER   2 -31.954  -2.713   9.338
   14   1HB   SER   2          1HB       SER   2 -33.256  -1.212   7.087
   15   2HB   SER   2          2HB       SER   2 -33.736  -2.875   7.413
   16    HG   SER   2           HG       SER   2 -33.785  -1.948   9.724
   17    H    ARG   3           H        ARG   3 -32.311  -2.693   5.853
   18    HA   ARG   3           HA       ARG   3 -30.901  -5.236   5.666
   19   1HB   ARG   3          1HB       ARG   3 -32.350  -3.435   3.756
   20   2HB   ARG   3          2HB       ARG   3 -31.272  -4.670   3.108
   21   1HG   ARG   3          1HG       ARG   3 -32.496  -6.338   4.603
   22   2HG   ARG   3          2HG       ARG   3 -33.694  -5.071   4.872
   23   1HD   ARG   3          1HD       ARG   3 -33.387  -5.039   2.125
   24   2HD   ARG   3          2HD       ARG   3 -33.259  -6.756   2.509
   25    HE   ARG   3           HE       ARG   3 -35.488  -5.694   3.926
   26   1HH1  ARG   3          1HH1      ARG   3 -34.875  -7.831   1.560
   27   2HH1  ARG   3          2HH1      ARG   3 -36.236  -7.458   0.554
   28   1HH2  ARG   3          1HH2      ARG   3 -37.047  -4.557   2.271
   29   2HH2  ARG   3          2HH2      ARG   3 -37.465  -5.604   0.957
   30    H    SER   4           H        SER   4 -30.365  -2.558   3.404
   31    HA   SER   4           HA       SER   4 -27.837  -1.683   4.167
   32   1HB   SER   4          1HB       SER   4 -27.784  -4.433   3.177
   33   2HB   SER   4          2HB       SER   4 -26.713  -3.369   2.271
   34    HG   SER   4           HG       SER   4 -25.471  -3.818   3.945
   35    HA   PRO   5           HA       PRO   5 -28.265  -1.085  -0.550
   36   1HB   PRO   5          1HB       PRO   5 -30.179  -2.560  -1.857
   37   2HB   PRO   5          2HB       PRO   5 -28.510  -3.107  -1.630
   38   1HG   PRO   5          2HG       PRO   5 -30.987  -4.006  -0.231
   39   2HG   PRO   5          1HG       PRO   5 -29.480  -4.890  -0.524
   40   1HD   PRO   5          1HD       PRO   5 -30.239  -3.675   1.915
   41   2HD   PRO   5          2HD       PRO   5 -28.616  -4.262   1.501
   42    H    ASP   6           H        ASP   6 -29.249   0.869   0.411
   43    HA   ASP   6           HA       ASP   6 -32.173   1.059  -0.185
   44   1HB   ASP   6          1HB       ASP   6 -30.628   2.302   2.109
   45   2HB   ASP   6          2HB       ASP   6 -32.284   2.740   1.686
   46    H    ALA   7           H        ALA   7 -29.336   3.162   0.467
   47    HA   ALA   7           HA       ALA   7 -30.021   4.655  -2.018
   48   1HB   ALA   7          1HB       ALA   7 -30.814   5.701   0.295
   49   2HB   ALA   7          3HB       ALA   7 -29.125   6.203   0.382
   50   3HB   ALA   7          2HB       ALA   7 -30.131   6.721  -0.972
   51    H    LYS   8           H        LYS   8 -27.982   2.782  -1.851
   52    HA   LYS   8           HA       LYS   8 -25.704   4.287  -2.679
   53   1HB   LYS   8          1HB       LYS   8 -25.871   3.606   0.202
   54   2HB   LYS   8          2HB       LYS   8 -24.336   3.232  -0.582
   55   1HG   LYS   8          1HG       LYS   8 -25.230   5.818  -1.462
   56   2HG   LYS   8          2HG       LYS   8 -25.255   5.769   0.301
   57   1HD   LYS   8          1HD       LYS   8 -22.958   5.259   0.442
   58   2HD   LYS   8          2HD       LYS   8 -22.884   4.726  -1.238
   59   1HE   LYS   8          1HE       LYS   8 -23.213   7.017  -2.019
   60   2HE   LYS   8          2HE       LYS   8 -23.403   7.580  -0.359
   61   1HZ   LYS   8          1HZ       LYS   8 -20.967   6.300  -1.477
   62   2HZ   LYS   8          2HZ       LYS   8 -21.161   7.962  -1.183
   63   3HZ   LYS   8          3HZ       LYS   8 -21.151   6.868   0.114
   64    H    GLU   9           H        GLU   9 -24.376   2.926  -3.833
   65    HA   GLU   9           HA       GLU   9 -25.166   0.137  -4.085
   66   1HB   GLU   9          1HB       GLU   9 -23.932   1.946  -5.745
   67   2HB   GLU   9          2HB       GLU   9 -22.577   0.931  -5.248
   68   1HG   GLU   9          1HG       GLU   9 -23.828  -1.083  -5.917
   69   2HG   GLU   9          2HG       GLU   9 -25.194  -0.079  -6.403
   70    H    ASP  10           H        ASP  10 -22.775  -1.229  -4.368
   71    HA   ASP  10           HA       ASP  10 -22.117  -1.879  -1.664
   72   1HB   ASP  10          1HB       ASP  10 -20.241  -3.189  -2.683
   73   2HB   ASP  10          2HB       ASP  10 -21.797  -3.507  -3.452
   74    HA   PRO  11           HA       PRO  11 -19.117   1.210  -0.773
   75   1HB   PRO  11          1HB       PRO  11 -17.892  -0.065   1.333
   76   2HB   PRO  11          2HB       PRO  11 -19.478   0.717   1.447
   77   1HG   PRO  11          2HG       PRO  11 -18.824  -2.189   1.337
   78   2HG   PRO  11          1HG       PRO  11 -20.235  -1.383   2.041
   79   1HD   PRO  11          1HD       PRO  11 -20.156  -2.723  -0.457
   80   2HD   PRO  11          2HD       PRO  11 -21.454  -1.654   0.120
   81    H    VAL  12           H        VAL  12 -16.529   0.799   0.179
   82    HA   VAL  12           HA       VAL  12 -15.239  -0.394  -2.213
   83    HB   VAL  12           HB       VAL  12 -13.567   0.895  -0.128
   84   1HG1  VAL  12          1HG1      VAL  12 -12.708   0.153  -2.329
   85   2HG1  VAL  12          2HG1      VAL  12 -13.835   1.249  -3.128
   86   3HG1  VAL  12          3HG1      VAL  12 -12.537   1.897  -2.124
   87   1HG2  VAL  12          1HG2      VAL  12 -15.718   2.363  -1.668
   88   2HG2  VAL  12          2HG2      VAL  12 -15.391   2.423   0.063
   89   3HG2  VAL  12          3HG2      VAL  12 -14.272   3.177  -1.073
   90    H    GLU  13           H        GLU  13 -14.594  -2.479  -2.052
   91    HA   GLU  13           HA       GLU  13 -13.600  -3.425   0.609
   92   1HB   GLU  13          1HB       GLU  13 -15.245  -4.921  -1.454
   93   2HB   GLU  13          2HB       GLU  13 -14.467  -5.692  -0.072
   94   1HG   GLU  13          1HG       GLU  13 -16.065  -4.973   1.354
   95   2HG   GLU  13          2HG       GLU  13 -16.010  -3.335   0.702
   96    H    CYS  14           H        CYS  14 -11.732  -4.707   0.557
   97    HA   CYS  14           HA       CYS  14  -9.731  -4.306  -1.280
   98   1HB   CYS  14          1HB       CYS  14  -9.825  -5.762   0.920
   99   2HB   CYS  14          2HB       CYS  14 -10.064  -7.090  -0.213
  100    HA   PRO  15           HA       PRO  15 -11.664  -6.305  -4.826
  101   1HB   PRO  15          1HB       PRO  15 -10.060  -5.058  -6.673
  102   2HB   PRO  15          2HB       PRO  15 -11.493  -4.304  -5.954
  103   1HG   PRO  15          2HG       PRO  15  -8.616  -3.761  -5.407
  104   2HG   PRO  15          1HG       PRO  15 -10.016  -2.695  -5.207
  105   1HD   PRO  15          1HD       PRO  15  -8.674  -4.106  -3.138
  106   2HD   PRO  15          2HD       PRO  15 -10.234  -3.266  -2.999
  107    H    LEU  16           H        LEU  16  -8.926  -7.030  -3.265
  108    HA   LEU  16           HA       LEU  16  -7.921  -8.790  -5.465
  109   1HB   LEU  16          2HB       LEU  16  -6.248  -7.853  -3.131
  110   2HB   LEU  16          1HB       LEU  16  -5.702  -8.560  -4.651
  111    HG   LEU  16           HG       LEU  16  -7.297  -6.209  -5.176
  112   1HD1  LEU  16          1HD1      LEU  16  -6.218  -5.824  -2.780
  113   2HD1  LEU  16          2HD1      LEU  16  -4.770  -5.504  -3.735
  114   3HD1  LEU  16          3HD1      LEU  16  -6.223  -4.537  -3.985
  115   1HD2  LEU  16          1HD2      LEU  16  -4.648  -7.371  -5.839
  116   2HD2  LEU  16          2HD2      LEU  16  -5.859  -6.651  -6.901
  117   3HD2  LEU  16          3HD2      LEU  16  -4.766  -5.615  -5.981
  118    H    CYS  17           H        CYS  17  -8.790  -8.523  -2.057
  119    HA   CYS  17           HA       CYS  17  -8.584 -11.504  -1.891
  120   1HB   CYS  17          2HB       CYS  17  -7.816 -11.387   0.316
  121   2HB   CYS  17          1HB       CYS  17  -7.013 -10.001  -0.413
  122    H    MET  18           H        MET  18 -10.501  -8.681  -1.518
  123    HA   MET  18           HA       MET  18 -12.840  -8.537  -1.410
  124   1HB   MET  18          1HB       MET  18 -12.655 -11.086  -2.132
  125   2HB   MET  18          2HB       MET  18 -13.115 -11.358  -0.449
  126   1HG   MET  18          1HG       MET  18 -14.783  -9.283  -1.459
  127   2HG   MET  18          2HG       MET  18 -14.790 -10.588  -2.646
  128   1HE   MET  18          1HE       MET  18 -14.116 -12.879  -1.412
  129   2HE   MET  18          2HE       MET  18 -15.192 -13.622  -0.231
  130   3HE   MET  18          3HE       MET  18 -15.766 -13.294  -1.872
  131    H    GLU  19           H        GLU  19 -12.867  -7.178   0.360
  132    HA   GLU  19           HA       GLU  19 -13.744  -8.259   2.887
  133   1HB   GLU  19          1HB       GLU  19 -10.905  -8.020   2.488
  134   2HB   GLU  19          2HB       GLU  19 -11.418  -6.862   3.714
  135   1HG   GLU  19          1HG       GLU  19 -12.857  -9.116   4.394
  136   2HG   GLU  19          2HG       GLU  19 -11.327  -9.795   3.838
  137    HA   PRO  20           HA       PRO  20 -15.109  -4.107   3.285
  138   1HB   PRO  20          1HB       PRO  20 -15.296  -3.903   6.022
  139   2HB   PRO  20          2HB       PRO  20 -16.437  -4.825   5.028
  140   1HG   PRO  20          2HG       PRO  20 -14.265  -5.826   6.808
  141   2HG   PRO  20          1HG       PRO  20 -15.764  -6.626   6.308
  142   1HD   PRO  20          1HD       PRO  20 -13.182  -7.120   5.250
  143   2HD   PRO  20          2HD       PRO  20 -14.721  -7.670   4.552
  144    H    LEU  21           H        LEU  21 -13.951  -2.226   3.070
  145    HA   LEU  21           HA       LEU  21 -11.304  -2.001   4.362
  146   1HB   LEU  21          1HB       LEU  21 -12.772  -0.472   2.222
  147   2HB   LEU  21          2HB       LEU  21 -11.365   0.240   3.014
  148    HG   LEU  21           HG       LEU  21 -11.305  -2.532   1.806
  149   1HD1  LEU  21          1HD1      LEU  21 -11.618  -0.121   0.392
  150   2HD1  LEU  21          2HD1      LEU  21  -9.898  -0.498   0.288
  151   3HD1  LEU  21          3HD1      LEU  21 -11.093  -1.670  -0.267
  152   1HD2  LEU  21          1HD2      LEU  21  -9.589  -1.598   3.542
  153   2HD2  LEU  21          2HD2      LEU  21  -8.974  -2.376   2.084
  154   3HD2  LEU  21          3HD2      LEU  21  -9.012  -0.615   2.196
  155    H    GLU  22           H        GLU  22 -11.203  -1.104   6.364
  156    HA   GLU  22           HA       GLU  22 -13.344   0.230   7.663
  157   1HB   GLU  22          1HB       GLU  22 -10.621  -0.453   8.257
  158   2HB   GLU  22          2HB       GLU  22 -10.892   1.228   8.719
  159   1HG   GLU  22          1HG       GLU  22 -11.691   0.248  10.632
  160   2HG   GLU  22          2HG       GLU  22 -13.170   0.146   9.674
  161    H    ILE  23           H        ILE  23 -12.549   2.641   8.630
  162    HA   ILE  23           HA       ILE  23 -12.939   4.392   6.341
  163    HB   ILE  23           HB       ILE  23 -12.425   4.920   9.278
  164   1HG1  ILE  23          2HG1      ILE  23 -14.799   5.720   9.145
  165   2HG1  ILE  23          1HG1      ILE  23 -14.848   5.169   7.471
  166   1HG2  ILE  23          1HG2      ILE  23 -13.017   6.895   7.052
  167   2HG2  ILE  23          2HG2      ILE  23 -12.953   7.281   8.772
  168   3HG2  ILE  23          3HG2      ILE  23 -11.493   6.763   7.930
  169   1HD1  ILE  23          1HD1      ILE  23 -14.006   3.287   9.664
  170   2HD1  ILE  23          2HD1      ILE  23 -15.716   3.563   9.333
  171   3HD1  ILE  23          3HD1      ILE  23 -14.668   2.908   8.074
  172    H    ASP  24           H        ASP  24 -10.320   4.237   8.789
  173    HA   ASP  24           HA       ASP  24  -8.538   5.858   7.198
  174   1HB   ASP  24          1HB       ASP  24  -8.558   4.836   9.814
  175   2HB   ASP  24          2HB       ASP  24  -7.158   4.090   9.044
  176    H    ASP  25           H        ASP  25  -9.422   2.535   7.137
  177    HA   ASP  25           HA       ASP  25  -6.985   1.492   5.983
  178   1HB   ASP  25          1HB       ASP  25  -9.844   0.484   5.957
  179   2HB   ASP  25          2HB       ASP  25  -8.484  -0.421   5.291
  180    H    ILE  26           H        ILE  26  -9.682   3.284   4.728
  181    HA   ILE  26           HA       ILE  26  -9.199   2.491   1.944
  182    HB   ILE  26           HB       ILE  26 -10.900   4.704   3.141
  183   1HG1  ILE  26          1HG1      ILE  26 -11.990   2.288   1.754
  184   2HG1  ILE  26          2HG1      ILE  26 -11.362   2.078   3.388
  185   1HG2  ILE  26          1HG2      ILE  26 -10.090   5.101   0.778
  186   2HG2  ILE  26          2HG2      ILE  26 -10.913   3.612   0.314
  187   3HG2  ILE  26          3HG2      ILE  26 -11.843   4.976   0.935
  188   1HD1  ILE  26          1HD1      ILE  26 -13.340   4.252   2.673
  189   2HD1  ILE  26          2HD1      ILE  26 -13.841   2.655   3.228
  190   3HD1  ILE  26          3HD1      ILE  26 -12.882   3.694   4.282
  191    H    ASN  27           H        ASN  27  -6.840   3.091   2.175
  192    HA   ASN  27           HA       ASN  27  -5.972   5.198   0.682
  193   1HB   ASN  27          1HB       ASN  27  -6.975   6.182   3.271
  194   2HB   ASN  27          2HB       ASN  27  -5.336   6.703   2.905
  195   2HD2  ASN  27          2HD2      ASN  27  -5.260   7.211   0.253
  196   1HD2  ASN  27          1HD2      ASN  27  -6.452   8.324  -0.215
  197    H    PHE  28           H        PHE  28  -5.550   3.272   3.529
  198    HA   PHE  28           HA       PHE  28  -2.696   3.703   3.819
  199   1HB   PHE  28          1HB       PHE  28  -3.690   2.891   5.781
  200   2HB   PHE  28          2HB       PHE  28  -4.694   1.735   4.911
  201    HD1  PHE  28           HD1      PHE  28  -1.034   2.499   5.317
  202    HD2  PHE  28           HD2      PHE  28  -4.100  -0.502   5.114
  203    HE1  PHE  28           HE1      PHE  28   0.669   0.733   5.683
  204    HE2  PHE  28           HE2      PHE  28  -2.396  -2.266   5.476
  205    HZ   PHE  28           HZ       PHE  28  -0.013  -1.650   5.763
  206    H    PHE  29           H        PHE  29  -2.037   3.410   1.562
  207    HA   PHE  29           HA       PHE  29  -2.123   0.572   0.639
  208   1HB   PHE  29          1HB       PHE  29  -1.252   1.715  -1.542
  209   2HB   PHE  29          2HB       PHE  29  -2.953   1.908  -1.113
  210    HD1  PHE  29           HD1      PHE  29   0.396   3.541  -0.591
  211    HD2  PHE  29           HD2      PHE  29  -3.866   4.035  -0.918
  212    HE1  PHE  29           HE1      PHE  29   0.664   6.006  -0.466
  213    HE2  PHE  29           HE2      PHE  29  -3.598   6.491  -0.782
  214    HZ   PHE  29           HZ       PHE  29  -1.330   7.481  -0.561
  215    HA   PRO  30           HA       PRO  30   2.211   0.390   1.440
  216   1HB   PRO  30          1HB       PRO  30   2.716  -1.911   0.028
  217   2HB   PRO  30          2HB       PRO  30   1.924  -1.895   1.613
  218   1HG   PRO  30          2HG       PRO  30   0.730  -2.378  -1.071
  219   2HG   PRO  30          1HG       PRO  30   0.159  -2.902   0.523
  220   1HD   PRO  30          1HD       PRO  30  -0.856  -0.719  -0.997
  221   2HD   PRO  30          2HD       PRO  30  -1.243  -1.102   0.694
  222    H    CYS  31           H        CYS  31   0.916   1.534  -1.289
  223    HA   CYS  31           HA       CYS  31   3.538   2.022  -2.520
  224   1HB   CYS  31          1HB       CYS  31   2.513  -0.167  -3.464
  225   2HB   CYS  31          2HB       CYS  31   1.367   0.897  -4.278
  226    H    THR  32           H        THR  32   3.461   3.825  -4.002
  227    HA   THR  32           HA       THR  32   1.158   5.604  -3.492
  228    HB   THR  32           HB       THR  32   3.060   6.835  -5.216
  229    HG1  THR  32           HG1      THR  32   4.250   5.612  -2.959
  230   1HG2  THR  32          1HG2      THR  32   2.324   7.050  -2.298
  231   2HG2  THR  32          2HG2      THR  32   3.545   8.096  -3.021
  232   3HG2  THR  32          3HG2      THR  32   1.886   8.132  -3.620
  233    H    CYS  33           H        CYS  33   1.429   3.204  -5.559
  234    HA   CYS  33           HA       CYS  33   0.733   4.692  -8.026
  235   1HB   CYS  33          2HB       CYS  33   0.895   2.587  -9.168
  236   2HB   CYS  33          1HB       CYS  33   2.252   2.652  -8.045
  237    H    GLY  34           H        GLY  34  -0.932   4.099  -5.374
  238   1HA   GLY  34          2HA       GLY  34  -3.487   3.894  -6.831
  239   2HA   GLY  34          1HA       GLY  34  -3.297   4.277  -5.117
  240    H    TYR  35           H        TYR  35  -1.390   1.621  -5.918
  241    HA   TYR  35           HA       TYR  35  -3.408  -0.459  -5.788
  242   1HB   TYR  35          1HB       TYR  35  -1.352  -1.073  -6.825
  243   2HB   TYR  35          2HB       TYR  35  -0.399  -0.444  -5.484
  244    HD1  TYR  35           HD1      TYR  35  -3.119  -2.963  -6.137
  245    HD2  TYR  35           HD2      TYR  35   0.406  -1.945  -3.899
  246    HE1  TYR  35           HE1      TYR  35  -3.172  -5.185  -5.040
  247    HE2  TYR  35           HE2      TYR  35   0.350  -4.169  -2.803
  248    HH   TYR  35           HH       TYR  35  -2.310  -6.445  -3.400
  249    H    GLN  36           H        GLN  36  -4.613   0.222  -3.887
  250    HA   GLN  36           HA       GLN  36  -3.176   0.066  -1.296
  251   1HB   GLN  36          1HB       GLN  36  -6.118   0.513  -1.383
  252   2HB   GLN  36          2HB       GLN  36  -4.890   1.310  -0.400
  253   1HG   GLN  36          1HG       GLN  36  -4.100   2.498  -2.472
  254   2HG   GLN  36          2HG       GLN  36  -5.474   1.808  -3.332
  255   2HE2  GLN  36          2HE2      GLN  36  -7.388   2.012  -1.137
  256   1HE2  GLN  36          1HE2      GLN  36  -7.710   3.663  -0.904
  257    H    ILE  37           H        ILE  37  -3.722  -1.489   0.288
  258    HA   ILE  37           HA       ILE  37  -5.602  -3.634  -0.576
  259    HB   ILE  37           HB       ILE  37  -3.827  -5.183   0.632
  260   1HG1  ILE  37          1HG1      ILE  37  -2.031  -3.053  -0.549
  261   2HG1  ILE  37          2HG1      ILE  37  -2.416  -3.113   1.171
  262   1HG2  ILE  37          1HG2      ILE  37  -4.582  -4.763  -1.948
  263   2HG2  ILE  37          2HG2      ILE  37  -2.864  -4.377  -2.049
  264   3HG2  ILE  37          3HG2      ILE  37  -3.379  -5.960  -1.467
  265   1HD1  ILE  37          1HD1      ILE  37  -1.654  -5.739   0.218
  266   2HD1  ILE  37          2HD1      ILE  37  -0.399  -4.559  -0.159
  267   3HD1  ILE  37          3HD1      ILE  37  -0.935  -4.776   1.507
  268    H    CYS  38           H        CYS  38  -6.695  -4.640   1.135
  269    HA   CYS  38           HA       CYS  38  -7.284  -3.144   3.430
  270   1HB   CYS  38          2HB       CYS  38  -8.436  -5.083   4.242
  271   2HB   CYS  38          1HB       CYS  38  -8.569  -5.136   2.486
  272    H    ARG  39           H        ARG  39  -6.916  -4.394   5.747
  273    HA   ARG  39           HA       ARG  39  -4.040  -4.128   6.209
  274   1HB   ARG  39          1HB       ARG  39  -6.436  -4.653   7.962
  275   2HB   ARG  39          2HB       ARG  39  -4.799  -4.821   8.598
  276   1HG   ARG  39          1HG       ARG  39  -5.694  -2.332   7.138
  277   2HG   ARG  39          2HG       ARG  39  -5.908  -2.521   8.879
  278   1HD   ARG  39          1HD       ARG  39  -3.213  -3.249   8.019
  279   2HD   ARG  39          2HD       ARG  39  -3.614  -1.581   7.612
  280    HE   ARG  39           HE       ARG  39  -4.434  -1.705  10.203
  281   1HH1  ARG  39          1HH1      ARG  39  -3.030  -3.476  11.569
  282   2HH1  ARG  39          2HH1      ARG  39  -1.377  -2.964  11.644
  283   1HH2  ARG  39          1HH2      ARG  39  -1.671  -0.733   9.007
  284   2HH2  ARG  39          2HH2      ARG  39  -0.607  -1.413  10.191
  285    H    PHE  40           H        PHE  40  -6.347  -6.760   5.885
  286    HA   PHE  40           HA       PHE  40  -4.563  -8.774   6.987
  287   1HB   PHE  40          1HB       PHE  40  -7.244  -8.693   5.787
  288   2HB   PHE  40          2HB       PHE  40  -6.332 -10.149   5.383
  289    HD1  PHE  40           HD1      PHE  40  -5.208 -11.440   7.292
  290    HD2  PHE  40           HD2      PHE  40  -8.214  -8.439   7.932
  291    HE1  PHE  40           HE1      PHE  40  -5.622 -12.341   9.564
  292    HE2  PHE  40           HE2      PHE  40  -8.629  -9.342  10.206
  293    HZ   PHE  40           HZ       PHE  40  -7.333 -11.292  11.022
  294    H    CYS  41           H        CYS  41  -4.700  -7.114   4.008
  295    HA   CYS  41           HA       CYS  41  -3.413  -9.294   2.487
  296   1HB   CYS  41          1HB       CYS  41  -4.514  -6.594   1.843
  297   2HB   CYS  41          2HB       CYS  41  -3.213  -7.201   0.818
  298    H    TRP  42           H        TRP  42  -2.599  -6.040   3.692
  299    HA   TRP  42           HA       TRP  42   0.161  -6.190   2.839
  300   1HB   TRP  42          1HB       TRP  42  -0.857  -4.019   3.210
  301   2HB   TRP  42          2HB       TRP  42  -1.236  -4.438   4.881
  302    HD1  TRP  42           HD1      TRP  42   1.721  -3.633   2.588
  303    HE1  TRP  42           HE1      TRP  42   3.733  -2.952   4.046
  304    HE3  TRP  42           HE3      TRP  42  -0.180  -4.630   7.219
  305    HZ2  TRP  42           HZ2      TRP  42   4.443  -2.847   6.816
  306    HZ3  TRP  42           HZ3      TRP  42   1.185  -4.233   9.250
  307    HH2  TRP  42           HH2      TRP  42   3.492  -3.343   9.055
  308    H    HIS  43           H        HIS  43  -1.510  -7.799   5.270
  309    HA   HIS  43           HA       HIS  43   0.767  -7.885   7.153
  310   1HB   HIS  43          1HB       HIS  43  -2.085  -8.601   7.223
  311   2HB   HIS  43          2HB       HIS  43  -1.042  -9.781   8.015
  312    HD1  HIS  43           HD1      HIS  43   0.492  -8.876   9.987
  313    HD2  HIS  43           HD2      HIS  43  -2.357  -6.169   8.595
  314    HE1  HIS  43           HE1      HIS  43   0.328  -7.046  11.733
  315    H    ARG  44           H        ARG  44   0.155  -9.305   4.268
  316    HA   ARG  44           HA       ARG  44   1.463 -11.867   5.096
  317   1HB   ARG  44          1HB       ARG  44  -0.782 -12.301   4.250
  318   2HB   ARG  44          2HB       ARG  44  -0.459 -11.337   2.809
  319   1HG   ARG  44          1HG       ARG  44   1.596 -13.346   3.150
  320   2HG   ARG  44          2HG       ARG  44   0.001 -14.098   3.136
  321   1HD   ARG  44          1HD       ARG  44   0.725 -12.018   1.081
  322   2HD   ARG  44          2HD       ARG  44   1.202 -13.701   0.859
  323    HE   ARG  44           HE       ARG  44  -1.577 -13.628   1.502
  324   1HH1  ARG  44          1HH1      ARG  44   0.643 -13.947  -0.998
  325   2HH1  ARG  44          2HH1      ARG  44  -0.477 -13.605  -2.274
  326   1HH2  ARG  44          1HH2      ARG  44  -3.038 -12.669  -0.134
  327   2HH2  ARG  44          2HH2      ARG  44  -2.562 -12.885  -1.784
  328    H    ILE  45           H        ILE  45   1.301  -9.282   2.687
  329    HA   ILE  45           HA       ILE  45   3.362 -10.298   0.967
  330    HB   ILE  45           HB       ILE  45   2.301  -7.511   1.476
  331   1HG1  ILE  45          1HG1      ILE  45   2.089  -8.970  -1.120
  332   2HG1  ILE  45          2HG1      ILE  45   1.100  -9.556   0.217
  333   1HG2  ILE  45          1HG2      ILE  45   4.707  -8.379   0.042
  334   2HG2  ILE  45          2HG2      ILE  45   3.594  -7.462  -0.973
  335   3HG2  ILE  45          3HG2      ILE  45   4.210  -6.757   0.521
  336   1HD1  ILE  45          1HD1      ILE  45   0.674  -6.881   0.439
  337   2HD1  ILE  45          2HD1      ILE  45   0.906  -7.020  -1.304
  338   3HD1  ILE  45          3HD1      ILE  45  -0.360  -7.954  -0.505
  339    H    ARG  46           H        ARG  46   3.429  -8.267   3.870
  340    HA   ARG  46           HA       ARG  46   6.352  -7.926   3.631
  341   1HB   ARG  46          1HB       ARG  46   4.873  -6.081   4.479
  342   2HB   ARG  46          2HB       ARG  46   4.514  -7.078   5.889
  343   1HG   ARG  46          1HG       ARG  46   6.628  -6.837   6.774
  344   2HG   ARG  46          2HG       ARG  46   7.387  -6.665   5.191
  345   1HD   ARG  46          1HD       ARG  46   7.196  -4.414   5.237
  346   2HD   ARG  46          2HD       ARG  46   5.510  -4.498   5.753
  347    HE   ARG  46           HE       ARG  46   6.566  -4.987   8.095
  348   1HH1  ARG  46          1HH1      ARG  46   9.338  -4.474   6.837
  349   2HH1  ARG  46          2HH1      ARG  46   9.627  -2.851   7.368
  350   1HH2  ARG  46          1HH2      ARG  46   6.323  -2.271   8.253
  351   2HH2  ARG  46          2HH2      ARG  46   7.919  -1.601   8.168
  352    H    THR  47           H        THR  47   5.041 -10.616   4.084
  353    HA   THR  47           HA       THR  47   6.504 -11.286   6.608
  354    HB   THR  47           HB       THR  47   4.092 -12.789   5.569
  355    HG1  THR  47           HG1      THR  47   3.316 -11.544   7.631
  356   1HG2  THR  47          1HG2      THR  47   5.842 -12.864   7.991
  357   2HG2  THR  47          2HG2      THR  47   4.134 -13.254   8.190
  358   3HG2  THR  47          3HG2      THR  47   5.130 -14.196   7.082
  359    H    ASP  48           H        ASP  48   5.084 -13.000   3.795
  360    HA   ASP  48           HA       ASP  48   7.605 -14.593   3.654
  361   1HB   ASP  48          1HB       ASP  48   5.060 -15.515   3.761
  362   2HB   ASP  48          2HB       ASP  48   5.252 -15.367   2.014
  363    H    GLU  49           H        GLU  49   6.174 -11.944   2.237
  364    HA   GLU  49           HA       GLU  49   7.202 -12.557  -0.487
  365   1HB   GLU  49          1HB       GLU  49   4.936 -11.207   0.377
  366   2HB   GLU  49          2HB       GLU  49   6.037  -9.902  -0.066
  367   1HG   GLU  49          2HG       GLU  49   5.225 -10.294  -2.165
  368   2HG   GLU  49          1HG       GLU  49   6.426 -11.585  -2.160
  369    H    ASN  50           H        ASN  50   7.627  -9.686  -1.040
  370    HA   ASN  50           HA       ASN  50  10.122  -9.272   0.561
  371   1HB   ASN  50          1HB       ASN  50   9.623  -8.947  -2.400
  372   2HB   ASN  50          2HB       ASN  50  10.962  -8.131  -1.593
  373   2HD2  ASN  50          2HD2      ASN  50  10.996 -10.431  -3.594
  374   1HD2  ASN  50          1HD2      ASN  50  11.878 -11.659  -2.821
  375    H    GLY  51           H        GLY  51   7.315  -8.180   0.817
  376   1HA   GLY  51          2HA       GLY  51   7.929  -5.542   1.602
  377   2HA   GLY  51          1HA       GLY  51   6.297  -6.112   1.257
  378    H    LEU  52           H        LEU  52   6.797  -6.754  -1.531
  379    HA   LEU  52           HA       LEU  52   7.352  -4.029  -2.629
  380   1HB   LEU  52          1HB       LEU  52   7.538  -6.771  -3.906
  381   2HB   LEU  52          2HB       LEU  52   7.641  -5.269  -4.824
  382    HG   LEU  52           HG       LEU  52   9.532  -6.288  -2.698
  383   1HD1  LEU  52          1HD1      LEU  52   9.665  -5.593  -5.625
  384   2HD1  LEU  52          2HD1      LEU  52  11.126  -5.550  -4.639
  385   3HD1  LEU  52          3HD1      LEU  52  10.220  -7.054  -4.808
  386   1HD2  LEU  52          1HD2      LEU  52   9.238  -3.490  -3.829
  387   2HD2  LEU  52          2HD2      LEU  52   9.167  -3.970  -2.133
  388   3HD2  LEU  52          3HD2      LEU  52  10.694  -4.057  -3.012
  389    H    CYS  53           H        CYS  53   6.008  -3.396  -4.483
  390    HA   CYS  53           HA       CYS  53   3.184  -4.131  -4.035
  391   1HB   CYS  53          1HB       CYS  53   3.527  -1.782  -4.183
  392   2HB   CYS  53          2HB       CYS  53   4.601  -1.943  -5.568
  393    HA   PRO  54           HA       PRO  54   3.681  -6.905  -7.524
  394   1HB   PRO  54          1HB       PRO  54   1.198  -8.055  -7.277
  395   2HB   PRO  54          2HB       PRO  54   2.594  -8.503  -6.281
  396   1HG   PRO  54          2HG       PRO  54   0.200  -6.887  -5.539
  397   2HG   PRO  54          1HG       PRO  54   1.260  -7.861  -4.507
  398   1HD   PRO  54          1HD       PRO  54   1.323  -5.041  -4.762
  399   2HD   PRO  54          2HD       PRO  54   2.566  -6.050  -3.992
  400    H    ALA  55           H        ALA  55   1.583  -4.261  -7.219
  401    HA   ALA  55           HA       ALA  55   0.153  -4.743  -9.750
  402   1HB   ALA  55          1HB       ALA  55  -1.136  -3.684  -8.024
  403   2HB   ALA  55          3HB       ALA  55  -0.824  -2.460  -9.254
  404   3HB   ALA  55          2HB       ALA  55   0.111  -2.465  -7.759
  405    H    CYS  56           H        CYS  56   2.828  -2.736  -8.563
  406    HA   CYS  56           HA       CYS  56   3.373  -2.011 -11.401
  407   1HB   CYS  56          2HB       CYS  56   3.530   0.285 -10.973
  408   2HB   CYS  56          1HB       CYS  56   2.148  -0.182  -9.987
  409    H    ARG  57           H        ARG  57   4.526  -3.424  -8.680
  410    HA   ARG  57           HA       ARG  57   6.677  -4.077  -8.016
  411   1HB   ARG  57          1HB       ARG  57   7.027  -3.215 -10.839
  412   2HB   ARG  57          2HB       ARG  57   8.491  -3.314  -9.859
  413   1HG   ARG  57          2HG       ARG  57   8.038  -5.467 -10.975
  414   2HG   ARG  57          1HG       ARG  57   7.913  -5.626  -9.223
  415   1HD   ARG  57          1HD       ARG  57   5.784  -6.322  -9.417
  416   2HD   ARG  57          2HD       ARG  57   5.359  -4.830 -10.254
  417    HE   ARG  57           HE       ARG  57   6.668  -6.565 -12.101
  418   1HH1  ARG  57          1HH1      ARG  57   3.883  -5.117 -12.118
  419   2HH1  ARG  57          2HH1      ARG  57   2.855  -6.477 -12.423
  420   1HH2  ARG  57          1HH2      ARG  57   5.303  -8.826 -11.697
  421   2HH2  ARG  57          2HH2      ARG  57   3.659  -8.579 -12.182
  422    H    LYS  58           H        LYS  58   6.218  -2.225  -6.436
  423    HA   LYS  58           HA       LYS  58   8.447  -0.261  -6.645
  424   1HB   LYS  58          1HB       LYS  58   5.547   0.323  -6.503
  425   2HB   LYS  58          2HB       LYS  58   6.542   1.219  -5.354
  426   1HG   LYS  58          1HG       LYS  58   8.084   1.602  -7.469
  427   2HG   LYS  58          2HG       LYS  58   6.592   1.277  -8.352
  428   1HD   LYS  58          1HD       LYS  58   6.268   3.125  -6.078
  429   2HD   LYS  58          2HD       LYS  58   7.305   3.738  -7.367
  430   1HE   LYS  58          1HE       LYS  58   5.274   2.685  -8.837
  431   2HE   LYS  58          2HE       LYS  58   4.396   3.180  -7.389
  432   1HZ   LYS  58          1HZ       LYS  58   5.597   5.370  -7.631
  433   2HZ   LYS  58          2HZ       LYS  58   6.042   4.856  -9.188
  434   3HZ   LYS  58          3HZ       LYS  58   4.403   5.038  -8.794
  435    HA   PRO  59           HA       PRO  59   9.086  -1.650  -2.529
  436   1HB   PRO  59          1HB       PRO  59  10.686   0.418  -1.659
  437   2HB   PRO  59          2HB       PRO  59  11.249  -0.885  -2.721
  438   1HG   PRO  59          2HG       PRO  59  10.588   1.947  -3.406
  439   2HG   PRO  59          1HG       PRO  59  11.733   0.842  -4.185
  440   1HD   PRO  59          1HD       PRO  59   9.171   1.480  -5.162
  441   2HD   PRO  59          2HD       PRO  59  10.153   0.091  -5.675
  442    H    TYR  60           H        TYR  60   7.555  -1.527  -0.951
  443    HA   TYR  60           HA       TYR  60   5.640   0.420  -0.555
  444   1HB   TYR  60          1HB       TYR  60   7.029  -1.252   1.555
  445   2HB   TYR  60          2HB       TYR  60   5.536  -0.357   1.831
  446    HD1  TYR  60           HD1      TYR  60   5.199  -1.162  -1.463
  447    HD2  TYR  60           HD2      TYR  60   5.301  -3.128   2.356
  448    HE1  TYR  60           HE1      TYR  60   3.889  -3.043  -2.399
  449    HE2  TYR  60           HE2      TYR  60   3.992  -5.014   1.417
  450    HH   TYR  60           HH       TYR  60   2.197  -4.966  -1.028
  451    HA   PRO  61           HA       PRO  61   7.960   3.902   0.892
  452   1HB   PRO  61          1HB       PRO  61   5.795   5.483   1.503
  453   2HB   PRO  61          2HB       PRO  61   6.382   5.225  -0.149
  454   1HG   PRO  61          2HG       PRO  61   3.963   4.102   1.179
  455   2HG   PRO  61          1HG       PRO  61   4.268   4.384  -0.543
  456   1HD   PRO  61          1HD       PRO  61   4.407   1.886   0.787
  457   2HD   PRO  61          2HD       PRO  61   5.002   2.236  -0.850
  458    H    GLU  62           H        GLU  62   4.958   3.480   2.809
  459    HA   GLU  62           HA       GLU  62   4.641   3.382   5.130
  460   1HB   GLU  62          1HB       GLU  62   7.180   1.914   4.619
  461   2HB   GLU  62          2HB       GLU  62   6.851   2.373   6.291
  462   1HG   GLU  62          1HG       GLU  62   4.424   1.375   5.163
  463   2HG   GLU  62          2HG       GLU  62   5.708   0.221   4.801
  464    H    ASP  63           H        ASP  63   8.086   3.775   5.634
  465    HA   ASP  63           HA       ASP  63   7.652   6.660   6.258
  466   1HB   ASP  63          1HB       ASP  63   9.138   6.270   8.300
  467   2HB   ASP  63          2HB       ASP  63   7.502   5.621   8.405
  468    HA   PRO  64           HA       PRO  64  11.536   5.858   3.859
  469   1HB   PRO  64          1HB       PRO  64  10.855   7.449   1.719
  470   2HB   PRO  64          2HB       PRO  64  10.477   5.720   1.816
  471   1HG   PRO  64          2HG       PRO  64   8.656   8.059   2.145
  472   2HG   PRO  64          1HG       PRO  64   8.282   6.412   1.613
  473   1HD   PRO  64          1HD       PRO  64   7.797   7.468   4.194
  474   2HD   PRO  64          2HD       PRO  64   7.743   5.751   3.741
  475    H    ALA  65           H        ALA  65   9.689   8.927   3.954
  476    HA   ALA  65           HA       ALA  65  10.324  11.072   4.638
  477   1HB   ALA  65          1HB       ALA  65  12.710  10.952   5.922
  478   2HB   ALA  65          2HB       ALA  65  11.173  10.575   6.701
  479   3HB   ALA  65          3HB       ALA  65  12.191   9.274   6.082
  480    H    VAL  66           H        VAL  66  13.638   9.893   4.327
  481    HA   VAL  66           HA       VAL  66  13.902  11.587   1.878
  482    HB   VAL  66           HB       VAL  66  16.199  12.074   2.586
  483   1HG1  VAL  66          1HG1      VAL  66  13.832  12.910   3.920
  484   2HG1  VAL  66          2HG1      VAL  66  15.083  12.731   5.150
  485   3HG1  VAL  66          3HG1      VAL  66  15.352  13.790   3.766
  486   1HG2  VAL  66          1HG2      VAL  66  15.860   9.746   4.134
  487   2HG2  VAL  66          2HG2      VAL  66  17.278  10.793   4.099
  488   3HG2  VAL  66          3HG2      VAL  66  16.013  11.061   5.298
  489    H    TYR  67           H        TYR  67  16.793  10.455   1.875
  490    HA   TYR  67           HA       TYR  67  16.470   7.618   1.344
  491   1HB   TYR  67          1HB       TYR  67  15.603   9.226  -0.708
  492   2HB   TYR  67          2HB       TYR  67  17.291   8.965  -1.148
  493    HD1  TYR  67           HD1      TYR  67  14.148   7.194  -0.186
  494    HD2  TYR  67           HD2      TYR  67  18.016   6.890  -2.033
  495    HE1  TYR  67           HE1      TYR  67  13.590   4.913  -0.981
  496    HE2  TYR  67           HE2      TYR  67  17.456   4.609  -2.828
  497    HH   TYR  67           HH       TYR  67  15.726   2.720  -1.921
  498    H    LYS  68           H        LYS  68  18.555   6.655   0.668
  499    HA   LYS  68           HA       LYS  68  20.781   7.676   2.038
  500   1HB   LYS  68          1HB       LYS  68  20.356   5.643  -0.075
  501   2HB   LYS  68          2HB       LYS  68  22.000   6.266   0.058
  502   1HG   LYS  68          1HG       LYS  68  21.831   5.827   2.562
  503   2HG   LYS  68          2HG       LYS  68  20.348   4.938   2.215
  504   1HD   LYS  68          1HD       LYS  68  21.462   3.251   1.067
  505   2HD   LYS  68          2HD       LYS  68  22.821   4.296   0.647
  506   1HE   LYS  68          1HE       LYS  68  22.395   3.846   3.546
  507   2HE   LYS  68          2HE       LYS  68  22.933   2.443   2.623
  508   1HZ   LYS  68          1HZ       LYS  68  24.335   4.838   1.921
  509   2HZ   LYS  68          2HZ       LYS  68  24.525   4.437   3.562
  510   3HZ   LYS  68          3HZ       LYS  68  24.946   3.317   2.357
  511    HA   PRO  69           HA       PRO  69  22.097  10.988  -0.559
  512   1HB   PRO  69          1HB       PRO  69  24.590  11.319   0.550
  513   2HB   PRO  69          2HB       PRO  69  23.094  11.872   1.322
  514   1HG   PRO  69          2HG       PRO  69  24.803   9.527   2.009
  515   2HG   PRO  69          1HG       PRO  69  23.726  10.474   3.049
  516   1HD   PRO  69          1HD       PRO  69  23.148   7.935   1.940
  517   2HD   PRO  69          2HD       PRO  69  21.976   9.037   2.696
  518    H    LEU  70           H        LEU  70  23.697   7.922  -0.392
  519    HA   LEU  70           HA       LEU  70  24.890   6.773  -2.069
  520   1HB   LEU  70          1HB       LEU  70  23.454   8.661  -3.487
  521   2HB   LEU  70          2HB       LEU  70  25.118   9.019  -3.948
  522    HG   LEU  70           HG       LEU  70  24.450   6.143  -3.886
  523   1HD1  LEU  70          1HD1      LEU  70  22.424   7.590  -4.865
  524   2HD1  LEU  70          2HD1      LEU  70  23.463   7.614  -6.291
  525   3HD1  LEU  70          3HD1      LEU  70  22.925   6.075  -5.616
  526   1HD2  LEU  70          1HD2      LEU  70  26.222   8.027  -5.229
  527   2HD2  LEU  70          2HD2      LEU  70  26.392   6.282  -5.036
  528   3HD2  LEU  70          3HD2      LEU  70  25.456   6.934  -6.381
  529    H    SER  71           H        SER  71  26.807   6.749  -0.824
  530    HA   SER  71           HA       SER  71  28.575   8.863  -0.332
  531   1HB   SER  71          1HB       SER  71  30.017   7.251   0.419
  532   2HB   SER  71          2HB       SER  71  28.613   6.207   0.218
  533    HG   SER  71           HG       SER  71  30.793   6.622  -1.543
  534    H    GLN  72           H        GLN  72  29.403  10.247  -1.823
  535    HA   GLN  72           HA       GLN  72  30.056   9.189  -4.529
  536   1HB   GLN  72          1HB       GLN  72  28.575  11.172  -4.421
  537   2HB   GLN  72          2HB       GLN  72  29.837  12.055  -3.560
  538   1HG   GLN  72          1HG       GLN  72  30.751  10.784  -6.055
  539   2HG   GLN  72          2HG       GLN  72  29.535  12.040  -6.289
  540   2HE2  GLN  72          2HE2      GLN  72  32.419  12.226  -6.983
  541   1HE2  GLN  72          1HE2      GLN  72  33.039  13.521  -6.078
  542    H    GLU  73           H        GLU  73  32.020   8.157  -3.508
  543    HA   GLU  73           HA       GLU  73  34.357   8.148  -3.278
  544   1HB   GLU  73          1HB       GLU  73  33.753  10.386  -4.974
  545   2HB   GLU  73          2HB       GLU  73  35.059  10.840  -3.877
  546   1HG   GLU  73          1HG       GLU  73  35.991   8.443  -4.522
  547   2HG   GLU  73          2HG       GLU  73  34.994   8.684  -5.956
  548    H    GLU  74           H        GLU  74  36.016   8.963  -1.792
  549    HA   GLU  74           HA       GLU  74  36.713   9.848   0.265
  550   1HB   GLU  74          1HB       GLU  74  34.513  11.883  -0.190
  551   2HB   GLU  74          2HB       GLU  74  35.910  12.056   0.873
  552   1HG   GLU  74          1HG       GLU  74  37.189  12.772  -0.834
  553   2HG   GLU  74          2HG       GLU  74  36.776  11.349  -1.792
  554    H    LEU  75           H        LEU  75  35.447   7.698   0.826
  555    HA   LEU  75           HA       LEU  75  33.906   8.273   3.221
  556   1HB   LEU  75          1HB       LEU  75  32.278   8.437   1.183
  557   2HB   LEU  75          2HB       LEU  75  32.402   6.678   1.158
  558    HG   LEU  75           HG       LEU  75  32.023   7.251   3.847
  559   1HD1  LEU  75          1HD1      LEU  75  31.132   9.501   2.341
  560   2HD1  LEU  75          2HD1      LEU  75  29.700   8.651   2.923
  561   3HD1  LEU  75          3HD1      LEU  75  30.925   9.202   4.067
  562   1HD2  LEU  75          1HD2      LEU  75  30.815   5.768   1.811
  563   2HD2  LEU  75          2HD2      LEU  75  30.385   5.727   3.520
  564   3HD2  LEU  75          3HD2      LEU  75  29.518   6.798   2.418
  565    H    GLN  76           H        GLN  76  36.309   6.837   2.625
  566    HA   GLN  76           HA       GLN  76  35.590   4.251   3.828
  567   1HB   GLN  76          1HB       GLN  76  36.489   4.549   1.010
  568   2HB   GLN  76          2HB       GLN  76  37.269   3.274   1.945
  569   1HG   GLN  76          1HG       GLN  76  35.458   1.999   1.509
  570   2HG   GLN  76          2HG       GLN  76  34.566   3.049   2.611
  571   2HE2  GLN  76          2HE2      GLN  76  33.362   1.807   0.276
  572   1HE2  GLN  76          1HE2      GLN  76  32.910   3.050  -0.788
  573    H    ARG  77           H        ARG  77  36.927   6.228   5.100
  574    HA   ARG  77           HA       ARG  77  38.922   6.690   6.247
  575   1HB   ARG  77          1HB       ARG  77  38.843   3.845   5.785
  576   2HB   ARG  77          2HB       ARG  77  40.509   4.413   5.671
  577   1HG   ARG  77          1HG       ARG  77  39.205   5.719   7.882
  578   2HG   ARG  77          2HG       ARG  77  39.002   3.972   8.028
  579   1HD   ARG  77          1HD       ARG  77  41.698   4.656   7.177
  580   2HD   ARG  77          2HD       ARG  77  41.289   5.437   8.705
  581    HE   ARG  77           HE       ARG  77  40.462   2.902   9.194
  582   1HH1  ARG  77          1HH1      ARG  77  43.380   4.450   9.198
  583   2HH1  ARG  77          2HH1      ARG  77  44.362   3.031   9.054
  584   1HH2  ARG  77          1HH2      ARG  77  41.692   0.930   8.366
  585   2HH2  ARG  77          2HH2      ARG  77  43.407   1.038   8.581
  586    H    ILE  78           H        ILE  78  41.527   6.426   5.765
  587    HA   ILE  78           HA       ILE  78  41.896   7.896   3.263
  588    HB   ILE  78           HB       ILE  78  43.187   8.532   5.245
  589   1HG1  ILE  78          1HG1      ILE  78  45.411   7.391   3.712
  590   2HG1  ILE  78          2HG1      ILE  78  44.195   8.152   2.686
  591   1HG2  ILE  78          1HG2      ILE  78  43.792   5.625   5.222
  592   2HG2  ILE  78          2HG2      ILE  78  45.130   6.686   5.660
  593   3HG2  ILE  78          3HG2      ILE  78  43.630   6.730   6.587
  594   1HD1  ILE  78          1HD1      ILE  78  45.109   9.589   5.153
  595   2HD1  ILE  78          2HD1      ILE  78  46.146   9.599   3.727
  596   3HD1  ILE  78          3HD1      ILE  78  44.511  10.252   3.632

  No H/Q in entry =         596
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1 -26.551  -6.168   6.822
    2    H2   MET   1           H2       MET   1 -25.920  -7.118   8.077
    3    H3   MET   1           H3       MET   1 -24.875  -6.199   7.102
    4    HA   MET   1           HA       MET   1 -24.718  -8.465   6.411
    5   1HB   MET   1          1HB       MET   1 -27.703  -8.237   6.550
    6   2HB   MET   1          2HB       MET   1 -26.992  -9.357   5.386
    7   1HG   MET   1          1HG       MET   1 -25.581 -10.235   7.348
    8   2HG   MET   1          2HG       MET   1 -26.696  -9.353   8.391
    9   1HE   MET   1          1HE       MET   1 -28.735  -9.877   9.059
   10   2HE   MET   1          2HE       MET   1 -29.622  -9.683   7.542
   11   3HE   MET   1          3HE       MET   1 -29.842 -11.134   8.515
   12    H    SER   2           H        SER   2 -25.542  -5.498   5.336
   13    HA   SER   2           HA       SER   2 -25.686  -4.485   3.210
   14   1HB   SER   2          1HB       SER   2 -23.297  -5.421   3.413
   15   2HB   SER   2          2HB       SER   2 -23.844  -6.727   2.364
   16    HG   SER   2           HG       SER   2 -24.377  -5.182   0.809
   17    H    ARG   3           H        ARG   3 -27.860  -4.982   2.642
   18    HA   ARG   3           HA       ARG   3 -28.975  -7.355   1.769
   19   1HB   ARG   3          2HB       ARG   3 -29.400  -4.664   0.436
   20   2HB   ARG   3          1HB       ARG   3 -30.515  -6.031   0.408
   21   1HG   ARG   3          1HG       ARG   3 -30.355  -5.855   3.026
   22   2HG   ARG   3          2HG       ARG   3 -29.813  -4.210   2.691
   23   1HD   ARG   3          1HD       ARG   3 -32.044  -4.650   1.015
   24   2HD   ARG   3          2HD       ARG   3 -32.492  -5.279   2.601
   25    HE   ARG   3           HE       ARG   3 -31.688  -2.972   3.460
   26   1HH1  ARG   3          1HH1      ARG   3 -30.931  -1.713   0.941
   27   2HH1  ARG   3          2HH1      ARG   3 -32.383  -0.917   0.431
   28   1HH2  ARG   3          1HH2      ARG   3 -34.442  -2.752   2.530
   29   2HH2  ARG   3          2HH2      ARG   3 -34.370  -1.506   1.330
   30    H    SER   4           H        SER   4 -27.899  -8.787   0.463
   31    HA   SER   4           HA       SER   4 -26.989  -9.655  -1.520
   32   1HB   SER   4          1HB       SER   4 -27.585  -7.034  -2.873
   33   2HB   SER   4          2HB       SER   4 -27.598  -8.656  -3.559
   34    HG   SER   4           HG       SER   4 -29.378  -9.029  -2.001
   35    HA   PRO   5           HA       PRO   5 -23.035  -7.590  -0.904
   36   1HB   PRO   5          1HB       PRO   5 -21.541  -9.838  -1.428
   37   2HB   PRO   5          2HB       PRO   5 -22.270  -9.493   0.150
   38   1HG   PRO   5          2HG       PRO   5 -23.118 -11.468  -1.917
   39   2HG   PRO   5          1HG       PRO   5 -23.377 -11.496  -0.165
   40   1HD   PRO   5          1HD       PRO   5 -25.296 -10.763  -2.117
   41   2HD   PRO   5          2HD       PRO   5 -25.430 -10.492  -0.366
   42    H    ASP   6           H        ASP   6 -24.526  -8.853  -3.652
   43    HA   ASP   6           HA       ASP   6 -22.328  -8.763  -5.526
   44   1HB   ASP   6          1HB       ASP   6 -25.332  -8.725  -5.797
   45   2HB   ASP   6          2HB       ASP   6 -24.290  -8.509  -7.204
   46    H    ALA   7           H        ALA   7 -24.411  -6.371  -4.096
   47    HA   ALA   7           HA       ALA   7 -23.505  -4.328  -6.063
   48   1HB   ALA   7          1HB       ALA   7 -25.967  -4.733  -4.920
   49   2HB   ALA   7          3HB       ALA   7 -25.291  -3.488  -3.870
   50   3HB   ALA   7          2HB       ALA   7 -25.428  -3.200  -5.605
   51    H    LYS   8           H        LYS   8 -23.755  -2.120  -4.207
   52    HA   LYS   8           HA       LYS   8 -22.536  -0.993  -2.534
   53   1HB   LYS   8          1HB       LYS   8 -22.631  -3.638  -1.616
   54   2HB   LYS   8          2HB       LYS   8 -20.919  -3.213  -1.572
   55   1HG   LYS   8          1HG       LYS   8 -22.590  -1.033  -0.604
   56   2HG   LYS   8          2HG       LYS   8 -22.838  -2.510   0.330
   57   1HD   LYS   8          1HD       LYS   8 -20.104  -2.478   0.042
   58   2HD   LYS   8          2HD       LYS   8 -20.474  -0.759   0.180
   59   1HE   LYS   8          1HE       LYS   8 -20.356  -1.254   2.422
   60   2HE   LYS   8          2HE       LYS   8 -22.047  -1.676   2.155
   61   1HZ   LYS   8          1HZ       LYS   8 -20.150  -3.775   1.556
   62   2HZ   LYS   8          2HZ       LYS   8 -20.227  -3.335   3.196
   63   3HZ   LYS   8          3HZ       LYS   8 -21.629  -3.850   2.385
   64    H    GLU   9           H        GLU   9 -21.493  -0.297  -4.677
   65    HA   GLU   9           HA       GLU   9 -18.627  -1.160  -4.699
   66   1HB   GLU   9          1HB       GLU   9 -20.257  -1.625  -6.751
   67   2HB   GLU   9          2HB       GLU   9 -19.896   0.061  -7.122
   68   1HG   GLU   9          1HG       GLU   9 -17.442  -1.204  -6.413
   69   2HG   GLU   9          2HG       GLU   9 -18.259  -2.243  -7.581
   70    H    ASP  10           H        ASP  10 -19.994   1.041  -3.193
   71    HA   ASP  10           HA       ASP  10 -19.156   3.506  -4.529
   72   1HB   ASP  10          1HB       ASP  10 -20.745   2.779  -2.210
   73   2HB   ASP  10          2HB       ASP  10 -19.611   4.073  -1.822
   74    HA   PRO  11           HA       PRO  11 -15.794   3.405  -1.145
   75   1HB   PRO  11          1HB       PRO  11 -15.661   1.182   0.469
   76   2HB   PRO  11          2HB       PRO  11 -16.633   2.615   0.852
   77   1HG   PRO  11          2HG       PRO  11 -17.532  -0.059  -0.108
   78   2HG   PRO  11          1HG       PRO  11 -18.418   1.150   0.836
   79   1HD   PRO  11          1HD       PRO  11 -18.705   0.663  -1.941
   80   2HD   PRO  11          2HD       PRO  11 -19.356   2.052  -1.046
   81    H    VAL  12           H        VAL  12 -13.962   1.411  -0.401
   82    HA   VAL  12           HA       VAL  12 -13.323   0.173  -3.048
   83    HB   VAL  12           HB       VAL  12 -11.226   0.601  -0.953
   84   1HG1  VAL  12          1HG1      VAL  12 -11.287  -0.308  -3.578
   85   2HG1  VAL  12          2HG1      VAL  12 -10.707   1.351  -3.731
   86   3HG1  VAL  12          3HG1      VAL  12  -9.846   0.207  -2.699
   87   1HG2  VAL  12          1HG2      VAL  12 -12.354   2.770  -2.753
   88   2HG2  VAL  12          2HG2      VAL  12 -12.408   2.750  -0.990
   89   3HG2  VAL  12          3HG2      VAL  12 -10.862   2.909  -1.824
   90    H    GLU  13           H        GLU  13 -12.510  -1.988  -3.036
   91    HA   GLU  13           HA       GLU  13 -12.910  -3.438  -0.448
   92   1HB   GLU  13          1HB       GLU  13 -13.511  -4.421  -3.256
   93   2HB   GLU  13          2HB       GLU  13 -13.684  -5.374  -1.782
   94   1HG   GLU  13          1HG       GLU  13 -15.328  -3.739  -0.922
   95   2HG   GLU  13          2HG       GLU  13 -15.169  -2.805  -2.411
   96    H    CYS  14           H        CYS  14 -11.137  -4.539   0.226
   97    HA   CYS  14           HA       CYS  14  -8.600  -4.374  -0.840
   98   1HB   CYS  14          1HB       CYS  14  -9.188  -5.417   1.363
   99   2HB   CYS  14          2HB       CYS  14  -9.692  -6.865   0.494
  100    HA   PRO  15           HA       PRO  15  -9.196  -6.763  -4.597
  101   1HB   PRO  15          1HB       PRO  15  -6.787  -6.033  -5.704
  102   2HB   PRO  15          2HB       PRO  15  -8.240  -5.021  -5.769
  103   1HG   PRO  15          2HG       PRO  15  -5.807  -4.707  -4.067
  104   2HG   PRO  15          1HG       PRO  15  -6.928  -3.470  -4.662
  105   1HD   PRO  15          1HD       PRO  15  -6.901  -4.536  -2.049
  106   2HD   PRO  15          2HD       PRO  15  -8.227  -3.602  -2.774
  107    H    LEU  16           H        LEU  16  -7.130  -7.163  -2.000
  108    HA   LEU  16           HA       LEU  16  -5.598  -9.407  -3.194
  109   1HB   LEU  16          1HB       LEU  16  -5.405  -7.804  -0.661
  110   2HB   LEU  16          2HB       LEU  16  -4.690  -9.415  -0.716
  111    HG   LEU  16           HG       LEU  16  -3.140  -7.507  -1.352
  112   1HD1  LEU  16          1HD1      LEU  16  -3.615 -10.052  -2.682
  113   2HD1  LEU  16          2HD1      LEU  16  -2.841  -8.895  -3.764
  114   3HD1  LEU  16          3HD1      LEU  16  -2.086  -9.302  -2.222
  115   1HD2  LEU  16          1HD2      LEU  16  -5.160  -6.520  -2.781
  116   2HD2  LEU  16          2HD2      LEU  16  -3.487  -6.264  -3.276
  117   3HD2  LEU  16          3HD2      LEU  16  -4.451  -7.528  -4.042
  118    H    CYS  17           H        CYS  17  -8.018  -8.721  -0.691
  119    HA   CYS  17           HA       CYS  17  -8.626 -11.645  -0.646
  120   1HB   CYS  17          1HB       CYS  17  -8.888 -11.648   1.724
  121   2HB   CYS  17          2HB       CYS  17  -7.361 -10.823   1.423
  122    H    MET  18           H        MET  18  -9.733  -9.167  -1.960
  123    HA   MET  18           HA       MET  18 -11.781  -8.020  -2.196
  124   1HB   MET  18          1HB       MET  18 -13.567  -9.612  -2.797
  125   2HB   MET  18          2HB       MET  18 -12.022 -10.085  -3.503
  126   1HG   MET  18          1HG       MET  18 -12.702 -11.168  -0.808
  127   2HG   MET  18          2HG       MET  18 -13.550 -11.841  -2.197
  128   1HE   MET  18          1HE       MET  18 -12.450 -14.017  -1.151
  129   2HE   MET  18          2HE       MET  18 -12.736 -14.051  -2.896
  130   3HE   MET  18          3HE       MET  18 -11.243 -14.711  -2.230
  131    H    GLU  19           H        GLU  19 -11.490  -7.273   0.183
  132    HA   GLU  19           HA       GLU  19 -13.885  -8.197   1.717
  133   1HB   GLU  19          1HB       GLU  19 -11.084  -7.893   2.553
  134   2HB   GLU  19          2HB       GLU  19 -12.227  -7.073   3.614
  135   1HG   GLU  19          1HG       GLU  19 -13.583  -9.300   3.468
  136   2HG   GLU  19          2HG       GLU  19 -12.054  -9.999   2.935
  137    HA   PRO  20           HA       PRO  20 -15.132  -3.997   1.817
  138   1HB   PRO  20          1HB       PRO  20 -16.275  -3.841   4.315
  139   2HB   PRO  20          2HB       PRO  20 -17.025  -4.673   2.941
  140   1HG   PRO  20          2HG       PRO  20 -15.669  -5.841   5.330
  141   2HG   PRO  20          1HG       PRO  20 -16.943  -6.533   4.311
  142   1HD   PRO  20          1HD       PRO  20 -14.197  -7.190   4.190
  143   2HD   PRO  20          2HD       PRO  20 -15.417  -7.589   2.961
  144    H    LEU  21           H        LEU  21 -13.833  -2.217   2.067
  145    HA   LEU  21           HA       LEU  21 -11.795  -2.180   4.187
  146   1HB   LEU  21          1HB       LEU  21 -12.416  -0.480   1.786
  147   2HB   LEU  21          2HB       LEU  21 -11.340   0.134   3.041
  148    HG   LEU  21           HG       LEU  21 -10.967  -2.559   1.709
  149   1HD1  LEU  21          1HD1      LEU  21 -10.052   0.194   0.942
  150   2HD1  LEU  21          2HD1      LEU  21  -8.971  -1.172   0.665
  151   3HD1  LEU  21          3HD1      LEU  21 -10.563  -1.141  -0.091
  152   1HD2  LEU  21          1HD2      LEU  21  -9.937  -2.228   3.950
  153   2HD2  LEU  21          2HD2      LEU  21  -8.720  -2.394   2.685
  154   3HD2  LEU  21          3HD2      LEU  21  -9.104  -0.800   3.337
  155    H    GLU  22           H        GLU  22 -11.516  -0.009   5.385
  156    HA   GLU  22           HA       GLU  22 -14.209   0.875   6.340
  157   1HB   GLU  22          2HB       GLU  22 -11.624   1.206   7.865
  158   2HB   GLU  22          1HB       GLU  22 -13.274   1.209   8.488
  159   1HG   GLU  22          1HG       GLU  22 -13.405  -1.220   7.616
  160   2HG   GLU  22          2HG       GLU  22 -11.646  -1.137   7.516
  161    H    ILE  23           H        ILE  23 -12.789   3.090   7.821
  162    HA   ILE  23           HA       ILE  23 -12.852   5.013   5.593
  163    HB   ILE  23           HB       ILE  23 -12.519   5.378   8.585
  164   1HG1  ILE  23          1HG1      ILE  23 -14.754   4.593   7.700
  165   2HG1  ILE  23          2HG1      ILE  23 -14.808   6.157   8.515
  166   1HG2  ILE  23          1HG2      ILE  23 -12.613   7.344   6.291
  167   2HG2  ILE  23          2HG2      ILE  23 -13.058   7.810   7.933
  168   3HG2  ILE  23          3HG2      ILE  23 -11.424   7.239   7.590
  169   1HD1  ILE  23          1HD1      ILE  23 -14.549   7.245   6.247
  170   2HD1  ILE  23          2HD1      ILE  23 -14.763   5.649   5.529
  171   3HD1  ILE  23          3HD1      ILE  23 -16.066   6.375   6.469
  172    H    ASP  24           H        ASP  24 -10.601   4.787   8.362
  173    HA   ASP  24           HA       ASP  24  -8.450   5.981   6.854
  174   1HB   ASP  24          1HB       ASP  24  -7.056   5.382   8.813
  175   2HB   ASP  24          2HB       ASP  24  -8.565   6.152   9.306
  176    H    ASP  25           H        ASP  25  -9.722   2.830   6.912
  177    HA   ASP  25           HA       ASP  25  -7.206   1.447   6.348
  178   1HB   ASP  25          1HB       ASP  25 -10.105   0.677   6.442
  179   2HB   ASP  25          2HB       ASP  25  -8.963  -0.384   5.616
  180    H    ILE  26           H        ILE  26  -9.508   3.253   4.537
  181    HA   ILE  26           HA       ILE  26  -8.991   1.928   1.987
  182    HB   ILE  26           HB       ILE  26 -10.386   4.493   2.774
  183   1HG1  ILE  26          1HG1      ILE  26 -11.484   2.131   1.251
  184   2HG1  ILE  26          2HG1      ILE  26 -11.376   2.099   3.011
  185   1HG2  ILE  26          1HG2      ILE  26  -9.763   3.424   0.009
  186   2HG2  ILE  26          2HG2      ILE  26 -11.047   4.592   0.321
  187   3HG2  ILE  26          3HG2      ILE  26  -9.369   5.015   0.659
  188   1HD1  ILE  26          1HD1      ILE  26 -12.637   4.297   3.030
  189   2HD1  ILE  26          2HD1      ILE  26 -12.910   4.073   1.302
  190   3HD1  ILE  26          3HD1      ILE  26 -13.572   2.916   2.457
  191    H    ASN  27           H        ASN  27  -8.086   5.124   3.352
  192    HA   ASN  27           HA       ASN  27  -6.253   5.707   1.192
  193   1HB   ASN  27          1HB       ASN  27  -6.922   6.921   3.833
  194   2HB   ASN  27          2HB       ASN  27  -5.358   7.333   3.129
  195   2HD2  ASN  27          2HD2      ASN  27  -8.845   7.169   2.214
  196   1HD2  ASN  27          1HD2      ASN  27  -8.775   8.482   1.141
  197    H    PHE  28           H        PHE  28  -6.053   3.487   3.697
  198    HA   PHE  28           HA       PHE  28  -3.153   3.782   4.126
  199   1HB   PHE  28          1HB       PHE  28  -4.614   3.027   5.985
  200   2HB   PHE  28          2HB       PHE  28  -5.051   1.598   5.044
  201    HD1  PHE  28           HD1      PHE  28  -3.377  -0.147   4.545
  202    HD2  PHE  28           HD2      PHE  28  -2.426   3.240   7.009
  203    HE1  PHE  28           HE1      PHE  28  -1.332  -1.302   5.340
  204    HE2  PHE  28           HE2      PHE  28  -0.381   2.085   7.807
  205    HZ   PHE  28           HZ       PHE  28   0.166  -0.185   6.973
  206    H    PHE  29           H        PHE  29  -2.042   3.266   2.253
  207    HA   PHE  29           HA       PHE  29  -2.559   0.542   1.131
  208   1HB   PHE  29          1HB       PHE  29  -1.546   1.694  -1.027
  209   2HB   PHE  29          2HB       PHE  29  -3.261   1.862  -0.653
  210    HD1  PHE  29           HD1      PHE  29   0.008   3.513   0.241
  211    HD2  PHE  29           HD2      PHE  29  -4.158   3.997  -0.715
  212    HE1  PHE  29           HE1      PHE  29   0.255   5.978   0.387
  213    HE2  PHE  29           HE2      PHE  29  -3.908   6.458  -0.564
  214    HZ   PHE  29           HZ       PHE  29  -1.701   7.448  -0.016
  215    HA   PRO  30           HA       PRO  30   1.727  -0.105   1.858
  216   1HB   PRO  30          1HB       PRO  30   2.083  -2.228   0.146
  217   2HB   PRO  30          2HB       PRO  30   1.261  -2.362   1.712
  218   1HG   PRO  30          2HG       PRO  30   0.087  -2.355  -1.029
  219   2HG   PRO  30          1HG       PRO  30  -0.545  -3.075   0.462
  220   1HD   PRO  30          1HD       PRO  30  -1.404  -0.638  -0.703
  221   2HD   PRO  30          2HD       PRO  30  -1.794  -1.213   0.933
  222    H    CYS  31           H        CYS  31   0.434   0.867  -1.158
  223    HA   CYS  31           HA       CYS  31   3.164   1.645  -2.073
  224   1HB   CYS  31          1HB       CYS  31   2.208  -0.407  -3.304
  225   2HB   CYS  31          2HB       CYS  31   1.036   0.711  -4.003
  226    H    THR  32           H        THR  32   3.084   3.486  -3.626
  227    HA   THR  32           HA       THR  32   0.948   5.362  -2.828
  228    HB   THR  32           HB       THR  32   2.785   6.522  -4.695
  229    HG1  THR  32           HG1      THR  32   4.635   6.101  -3.172
  230   1HG2  THR  32          1HG2      THR  32   1.581   7.657  -2.842
  231   2HG2  THR  32          2HG2      THR  32   2.575   6.775  -1.682
  232   3HG2  THR  32          3HG2      THR  32   3.320   7.942  -2.775
  233    H    CYS  33           H        CYS  33   1.984   3.566  -5.672
  234    HA   CYS  33           HA       CYS  33   0.788   5.007  -7.731
  235   1HB   CYS  33          2HB       CYS  33   0.544   2.928  -8.945
  236   2HB   CYS  33          1HB       CYS  33   2.034   2.846  -8.006
  237    H    GLY  34           H        GLY  34  -0.850   2.968  -5.310
  238   1HA   GLY  34          2HA       GLY  34  -3.453   3.749  -6.542
  239   2HA   GLY  34          1HA       GLY  34  -3.155   4.136  -4.848
  240    H    TYR  35           H        TYR  35  -1.839   1.146  -6.044
  241    HA   TYR  35           HA       TYR  35  -4.088  -0.552  -5.620
  242   1HB   TYR  35          1HB       TYR  35  -1.619  -1.002  -6.580
  243   2HB   TYR  35          2HB       TYR  35  -1.372  -1.579  -4.931
  244    HD1  TYR  35           HD1      TYR  35  -3.938  -1.792  -7.661
  245    HD2  TYR  35           HD2      TYR  35  -1.875  -3.822  -4.484
  246    HE1  TYR  35           HE1      TYR  35  -5.125  -3.892  -8.230
  247    HE2  TYR  35           HE2      TYR  35  -3.063  -5.921  -5.056
  248    HH   TYR  35           HH       TYR  35  -4.179  -6.860  -7.262
  249    H    GLN  36           H        GLN  36  -5.152   0.007  -3.688
  250    HA   GLN  36           HA       GLN  36  -3.577  -0.122  -1.170
  251   1HB   GLN  36          2HB       GLN  36  -6.458   0.430  -0.941
  252   2HB   GLN  36          1HB       GLN  36  -5.089   1.325  -0.286
  253   1HG   GLN  36          1HG       GLN  36  -4.676   2.248  -2.592
  254   2HG   GLN  36          2HG       GLN  36  -6.174   1.477  -3.112
  255   2HE2  GLN  36          2HE2      GLN  36  -8.033   2.002  -1.252
  256   1HE2  GLN  36          1HE2      GLN  36  -8.170   3.661  -0.918
  257    H    ILE  37           H        ILE  37  -4.245  -1.515   0.563
  258    HA   ILE  37           HA       ILE  37  -6.216  -3.626  -0.143
  259    HB   ILE  37           HB       ILE  37  -4.697  -5.401   0.555
  260   1HG1  ILE  37          1HG1      ILE  37  -2.454  -3.398   0.738
  261   2HG1  ILE  37          2HG1      ILE  37  -3.464  -3.729   2.147
  262   1HG2  ILE  37          1HG2      ILE  37  -4.631  -4.310  -1.823
  263   2HG2  ILE  37          2HG2      ILE  37  -3.053  -3.710  -1.314
  264   3HG2  ILE  37          3HG2      ILE  37  -3.361  -5.446  -1.369
  265   1HD1  ILE  37          1HD1      ILE  37  -2.702  -6.208   0.874
  266   2HD1  ILE  37          2HD1      ILE  37  -1.268  -5.248   1.237
  267   3HD1  ILE  37          3HD1      ILE  37  -2.395  -5.671   2.526
  268    H    CYS  38           H        CYS  38  -6.144  -5.181   2.043
  269    HA   CYS  38           HA       CYS  38  -6.928  -3.311   4.184
  270   1HB   CYS  38          1HB       CYS  38  -8.128  -5.127   5.139
  271   2HB   CYS  38          2HB       CYS  38  -8.355  -5.299   3.400
  272    H    ARG  39           H        ARG  39  -6.206  -3.821   6.450
  273    HA   ARG  39           HA       ARG  39  -3.336  -4.021   6.548
  274   1HB   ARG  39          1HB       ARG  39  -5.481  -3.372   8.355
  275   2HB   ARG  39          2HB       ARG  39  -4.377  -4.506   9.136
  276   1HG   ARG  39          1HG       ARG  39  -2.566  -3.057   8.995
  277   2HG   ARG  39          2HG       ARG  39  -3.229  -2.199   7.605
  278   1HD   ARG  39          1HD       ARG  39  -3.272  -0.963   9.864
  279   2HD   ARG  39          2HD       ARG  39  -4.776  -0.998   8.944
  280    HE   ARG  39           HE       ARG  39  -4.853  -3.248  10.622
  281   1HH1  ARG  39          1HH1      ARG  39  -6.797  -0.901  10.640
  282   2HH1  ARG  39          2HH1      ARG  39  -6.640  -0.348  12.273
  283   1HH2  ARG  39          1HH2      ARG  39  -3.692  -2.079  12.853
  284   2HH2  ARG  39          2HH2      ARG  39  -4.881  -1.016  13.527
  285    H    PHE  40           H        PHE  40  -5.754  -6.426   6.428
  286    HA   PHE  40           HA       PHE  40  -4.225  -8.426   7.946
  287   1HB   PHE  40          1HB       PHE  40  -6.835  -8.257   7.567
  288   2HB   PHE  40          2HB       PHE  40  -6.468  -9.138   6.084
  289    HD1  PHE  40           HD1      PHE  40  -5.061  -9.280   9.561
  290    HD2  PHE  40           HD2      PHE  40  -6.969 -11.400   6.350
  291    HE1  PHE  40           HE1      PHE  40  -4.892 -11.389  10.854
  292    HE2  PHE  40           HE2      PHE  40  -6.802 -13.509   7.643
  293    HZ   PHE  40           HZ       PHE  40  -5.763 -13.504   9.896
  294    H    CYS  41           H        CYS  41  -4.491  -7.326   4.666
  295    HA   CYS  41           HA       CYS  41  -3.169  -9.736   3.588
  296   1HB   CYS  41          1HB       CYS  41  -4.350  -7.235   2.391
  297   2HB   CYS  41          2HB       CYS  41  -3.269  -8.251   1.438
  298    H    TRP  42           H        TRP  42  -2.427  -6.491   4.609
  299    HA   TRP  42           HA       TRP  42   0.099  -6.232   3.237
  300   1HB   TRP  42          1HB       TRP  42  -1.094  -4.279   4.127
  301   2HB   TRP  42          2HB       TRP  42  -0.924  -4.905   5.767
  302    HD1  TRP  42           HD1      TRP  42   1.379  -3.948   2.803
  303    HE1  TRP  42           HE1      TRP  42   3.539  -2.923   3.770
  304    HE3  TRP  42           HE3      TRP  42   0.442  -4.466   7.796
  305    HZ2  TRP  42           HZ2      TRP  42   4.715  -2.395   6.325
  306    HZ3  TRP  42           HZ3      TRP  42   2.097  -3.696   9.474
  307    HH2  TRP  42           HH2      TRP  42   4.230  -2.661   8.745
  308    H    HIS  43           H        HIS  43  -0.915  -7.736   6.235
  309    HA   HIS  43           HA       HIS  43   1.677  -7.942   7.451
  310   1HB   HIS  43          1HB       HIS  43  -0.842  -9.596   7.749
  311   2HB   HIS  43          2HB       HIS  43   0.598  -9.841   8.738
  312    HD1  HIS  43           HD1      HIS  43  -0.502  -9.006  10.922
  313    HD2  HIS  43           HD2      HIS  43  -0.584  -6.191   7.849
  314    HE1  HIS  43           HE1      HIS  43  -1.201  -6.815  11.979
  315    H    ARG  44           H        ARG  44  -0.059  -9.968   5.121
  316    HA   ARG  44           HA       ARG  44   1.911 -12.113   5.227
  317   1HB   ARG  44          1HB       ARG  44  -0.645 -11.654   3.984
  318   2HB   ARG  44          2HB       ARG  44   0.504 -12.211   2.766
  319   1HG   ARG  44          1HG       ARG  44  -0.674 -14.090   3.924
  320   2HG   ARG  44          2HG       ARG  44   1.078 -14.147   4.129
  321   1HD   ARG  44          1HD       ARG  44   0.932 -13.237   6.348
  322   2HD   ARG  44          2HD       ARG  44  -0.775 -12.849   6.139
  323    HE   ARG  44           HE       ARG  44   0.047 -15.250   7.211
  324   1HH1  ARG  44          1HH1      ARG  44  -2.640 -14.215   5.728
  325   2HH1  ARG  44          2HH1      ARG  44  -3.063 -15.701   4.946
  326   1HH2  ARG  44          1HH2      ARG  44  -0.010 -17.215   5.592
  327   2HH2  ARG  44          2HH2      ARG  44  -1.572 -17.401   4.868
  328    H    ILE  45           H        ILE  45   1.061  -9.791   2.624
  329    HA   ILE  45           HA       ILE  45   3.153 -10.302   0.873
  330    HB   ILE  45           HB       ILE  45   2.024  -7.591   1.632
  331   1HG1  ILE  45          1HG1      ILE  45   1.289  -8.978  -0.889
  332   2HG1  ILE  45          2HG1      ILE  45   0.671  -9.708   0.594
  333   1HG2  ILE  45          1HG2      ILE  45   4.287  -7.806   0.301
  334   2HG2  ILE  45          2HG2      ILE  45   3.231  -8.270  -1.033
  335   3HG2  ILE  45          3HG2      ILE  45   3.041  -6.693  -0.265
  336   1HD1  ILE  45          1HD1      ILE  45   0.382  -6.766  -0.073
  337   2HD1  ILE  45          2HD1      ILE  45  -0.859  -7.972  -0.413
  338   3HD1  ILE  45          3HD1      ILE  45  -0.387  -7.637   1.251
  339    H    ARG  46           H        ARG  46   3.266  -8.163   3.731
  340    HA   ARG  46           HA       ARG  46   5.858  -7.154   3.473
  341   1HB   ARG  46          1HB       ARG  46   3.990  -6.982   5.404
  342   2HB   ARG  46          2HB       ARG  46   5.088  -8.123   6.181
  343   1HG   ARG  46          1HG       ARG  46   5.662  -5.772   6.735
  344   2HG   ARG  46          2HG       ARG  46   6.963  -6.574   5.855
  345   1HD   ARG  46          1HD       ARG  46   5.173  -5.424   3.942
  346   2HD   ARG  46          2HD       ARG  46   5.571  -4.190   5.136
  347    HE   ARG  46           HE       ARG  46   7.645  -5.707   3.601
  348   1HH1  ARG  46          1HH1      ARG  46   9.303  -4.526   5.351
  349   2HH1  ARG  46          2HH1      ARG  46   9.420  -2.847   4.947
  350   1HH2  ARG  46          1HH2      ARG  46   6.542  -2.836   3.016
  351   2HH2  ARG  46          2HH2      ARG  46   7.858  -1.890   3.626
  352    H    THR  47           H        THR  47   4.895 -10.302   4.866
  353    HA   THR  47           HA       THR  47   7.777 -11.065   4.912
  354    HB   THR  47           HB       THR  47   5.479 -12.644   6.080
  355    HG1  THR  47           HG1      THR  47   5.306 -11.085   7.456
  356   1HG2  THR  47          1HG2      THR  47   8.432 -12.764   6.084
  357   2HG2  THR  47          2HG2      THR  47   7.671 -13.014   7.656
  358   3HG2  THR  47          3HG2      THR  47   7.251 -14.057   6.297
  359    H    ASP  48           H        ASP  48   4.738 -12.860   4.300
  360    HA   ASP  48           HA       ASP  48   5.731 -14.935   2.778
  361   1HB   ASP  48          1HB       ASP  48   3.241 -14.167   3.377
  362   2HB   ASP  48          2HB       ASP  48   3.283 -13.601   1.707
  363    H    GLU  49           H        GLU  49   4.854 -11.704   1.525
  364    HA   GLU  49           HA       GLU  49   6.148 -12.411  -1.054
  365   1HB   GLU  49          1HB       GLU  49   3.845 -11.143  -0.707
  366   2HB   GLU  49          2HB       GLU  49   4.898  -9.738  -0.530
  367   1HG   GLU  49          1HG       GLU  49   5.375  -9.693  -2.739
  368   2HG   GLU  49          2HG       GLU  49   5.664 -11.433  -2.788
  369    H    ASN  50           H        ASN  50   7.199 -10.103  -1.941
  370    HA   ASN  50           HA       ASN  50   9.464  -9.680  -0.085
  371   1HB   ASN  50          1HB       ASN  50   9.113  -9.685  -2.942
  372   2HB   ASN  50          2HB       ASN  50   9.768  -8.124  -2.445
  373   2HD2  ASN  50          2HD2      ASN  50  12.015  -8.178  -2.539
  374   1HD2  ASN  50          1HD2      ASN  50  12.980  -9.501  -2.093
  375    H    GLY  51           H        GLY  51   6.555  -8.422  -0.107
  376   1HA   GLY  51          2HA       GLY  51   7.361  -5.918   1.086
  377   2HA   GLY  51          1HA       GLY  51   5.700  -6.407   0.744
  378    H    LEU  52           H        LEU  52   6.773  -6.906  -2.150
  379    HA   LEU  52           HA       LEU  52   7.109  -4.098  -3.027
  380   1HB   LEU  52          1HB       LEU  52   7.350  -6.775  -4.404
  381   2HB   LEU  52          2HB       LEU  52   7.251  -5.284  -5.337
  382    HG   LEU  52           HG       LEU  52   9.378  -6.098  -3.347
  383   1HD1  LEU  52          1HD1      LEU  52   9.314  -5.339  -6.276
  384   2HD1  LEU  52          2HD1      LEU  52  10.813  -5.416  -5.349
  385   3HD1  LEU  52          3HD1      LEU  52   9.834  -6.867  -5.565
  386   1HD2  LEU  52          1HD2      LEU  52   8.599  -3.371  -4.359
  387   2HD2  LEU  52          2HD2      LEU  52   9.082  -3.852  -2.733
  388   3HD2  LEU  52          3HD2      LEU  52  10.291  -3.730  -4.012
  389    H    CYS  53           H        CYS  53   5.781  -3.415  -4.940
  390    HA   CYS  53           HA       CYS  53   2.943  -4.014  -4.415
  391   1HB   CYS  53          1HB       CYS  53   3.537  -1.675  -4.564
  392   2HB   CYS  53          2HB       CYS  53   4.342  -1.930  -6.109
  393    HA   PRO  54           HA       PRO  54   3.036  -6.703  -7.987
  394   1HB   PRO  54          1HB       PRO  54   0.439  -7.559  -7.727
  395   2HB   PRO  54          2HB       PRO  54   1.778  -8.189  -6.752
  396   1HG   PRO  54          2HG       PRO  54  -0.402  -6.318  -5.957
  397   2HG   PRO  54          1HG       PRO  54   0.548  -7.425  -4.953
  398   1HD   PRO  54          1HD       PRO  54   0.937  -4.623  -5.177
  399   2HD   PRO  54          2HD       PRO  54   2.050  -5.781  -4.416
  400    H    ALA  55           H        ALA  55   1.004  -3.960  -7.450
  401    HA   ALA  55           HA       ALA  55  -0.288  -4.135 -10.094
  402   1HB   ALA  55          1HB       ALA  55  -0.974  -2.937  -7.667
  403   2HB   ALA  55          3HB       ALA  55  -1.812  -2.732  -9.206
  404   3HB   ALA  55          2HB       ALA  55  -0.565  -1.582  -8.721
  405    H    CYS  56           H        CYS  56   2.528  -2.645  -8.681
  406    HA   CYS  56           HA       CYS  56   3.180  -1.534 -11.332
  407   1HB   CYS  56          1HB       CYS  56   3.235   0.710 -10.761
  408   2HB   CYS  56          2HB       CYS  56   1.875   0.175  -9.780
  409    H    ARG  57           H        ARG  57   4.194  -3.529  -9.218
  410    HA   ARG  57           HA       ARG  57   6.252  -4.111  -8.204
  411   1HB   ARG  57          1HB       ARG  57   6.492  -4.187 -10.833
  412   2HB   ARG  57          2HB       ARG  57   7.583  -2.827 -10.564
  413   1HG   ARG  57          1HG       ARG  57   9.183  -4.344 -10.091
  414   2HG   ARG  57          2HG       ARG  57   8.301  -4.678  -8.600
  415   1HD   ARG  57          1HD       ARG  57   7.393  -6.010 -11.123
  416   2HD   ARG  57          2HD       ARG  57   8.835  -6.627 -10.318
  417    HE   ARG  57           HE       ARG  57   6.293  -6.316  -8.785
  418   1HH1  ARG  57          1HH1      ARG  57   7.415  -7.611  -6.885
  419   2HH1  ARG  57          2HH1      ARG  57   7.701  -9.262  -7.329
  420   1HH2  ARG  57          1HH2      ARG  57   7.303  -8.695 -10.725
  421   2HH2  ARG  57          2HH2      ARG  57   7.636  -9.875  -9.503
  422    H    LYS  58           H        LYS  58   6.082  -2.482  -6.488
  423    HA   LYS  58           HA       LYS  58   8.315  -0.559  -6.620
  424   1HB   LYS  58          1HB       LYS  58   5.442   0.198  -6.575
  425   2HB   LYS  58          2HB       LYS  58   6.495   1.078  -5.468
  426   1HG   LYS  58          1HG       LYS  58   8.023   1.109  -7.715
  427   2HG   LYS  58          2HG       LYS  58   6.408   1.125  -8.428
  428   1HD   LYS  58          1HD       LYS  58   5.894   3.193  -7.563
  429   2HD   LYS  58          2HD       LYS  58   6.884   2.953  -6.123
  430   1HE   LYS  58          1HE       LYS  58   8.812   2.951  -8.037
  431   2HE   LYS  58          2HE       LYS  58   7.639   4.043  -8.773
  432   1HZ   LYS  58          1HZ       LYS  58   8.372   4.365  -5.941
  433   2HZ   LYS  58          2HZ       LYS  58   9.394   4.978  -7.151
  434   3HZ   LYS  58          3HZ       LYS  58   7.793   5.525  -7.038
  435    HA   PRO  59           HA       PRO  59   8.624  -2.013  -2.477
  436   1HB   PRO  59          1HB       PRO  59  10.395  -0.112  -1.557
  437   2HB   PRO  59          2HB       PRO  59  10.864  -1.491  -2.566
  438   1HG   PRO  59          2HG       PRO  59  10.541   1.380  -3.336
  439   2HG   PRO  59          1HG       PRO  59  11.608   0.146  -4.027
  440   1HD   PRO  59          1HD       PRO  59   9.194   1.014  -5.172
  441   2HD   PRO  59          2HD       PRO  59  10.036  -0.497  -5.579
  442    H    TYR  60           H        TYR  60   6.873  -1.692  -1.165
  443    HA   TYR  60           HA       TYR  60   5.257   0.516  -0.859
  444   1HB   TYR  60          1HB       TYR  60   6.155  -1.258   1.431
  445   2HB   TYR  60          2HB       TYR  60   4.675  -0.302   1.376
  446    HD1  TYR  60           HD1      TYR  60   4.529  -0.981  -1.806
  447    HD2  TYR  60           HD2      TYR  60   4.665  -3.263   1.833
  448    HE1  TYR  60           HE1      TYR  60   3.352  -2.850  -2.932
  449    HE2  TYR  60           HE2      TYR  60   3.488  -5.131   0.705
  450    HH   TYR  60           HH       TYR  60   1.825  -5.246  -1.399
  451    HA   PRO  61           HA       PRO  61   7.748   3.629   0.998
  452   1HB   PRO  61          1HB       PRO  61   5.711   5.275   1.836
  453   2HB   PRO  61          2HB       PRO  61   6.233   5.144   0.147
  454   1HG   PRO  61          2HG       PRO  61   3.781   4.053   1.440
  455   2HG   PRO  61          1HG       PRO  61   4.061   4.477  -0.256
  456   1HD   PRO  61          1HD       PRO  61   4.075   1.861   0.841
  457   2HD   PRO  61          2HD       PRO  61   4.632   2.321  -0.782
  458    H    GLU  62           H        GLU  62   8.592   3.996   3.049
  459    HA   GLU  62           HA       GLU  62   6.922   3.341   5.418
  460   1HB   GLU  62          1HB       GLU  62   9.684   2.198   4.889
  461   2HB   GLU  62          2HB       GLU  62   8.788   2.026   6.398
  462   1HG   GLU  62          1HG       GLU  62   6.996   1.245   4.375
  463   2HG   GLU  62          2HG       GLU  62   8.537   0.498   3.953
  464    H    ASP  63           H        ASP  63   9.008   3.626   7.311
  465    HA   ASP  63           HA       ASP  63  10.396   5.236   8.335
  466   1HB   ASP  63          1HB       ASP  63  11.128   5.559   5.802
  467   2HB   ASP  63          2HB       ASP  63  10.214   7.059   5.966
  468    HA   PRO  64           HA       PRO  64   6.491   7.525   9.073
  469   1HB   PRO  64          1HB       PRO  64   6.342   6.829  11.727
  470   2HB   PRO  64          2HB       PRO  64   5.657   5.849  10.420
  471   1HG   PRO  64          2HG       PRO  64   8.120   5.369  12.034
  472   2HG   PRO  64          1HG       PRO  64   7.075   4.202  11.208
  473   1HD   PRO  64          1HD       PRO  64   9.579   5.141  10.276
  474   2HD   PRO  64          2HD       PRO  64   8.383   4.233   9.326
  475    H    ALA  65           H        ALA  65   9.175   7.207  11.427
  476    HA   ALA  65           HA       ALA  65   9.851  10.011  11.258
  477   1HB   ALA  65          1HB       ALA  65   8.531   9.129  13.839
  478   2HB   ALA  65          3HB       ALA  65   9.106  10.747  13.433
  479   3HB   ALA  65          2HB       ALA  65   7.707  10.072  12.597
  480    H    VAL  66           H        VAL  66  11.272   7.541  11.093
  481    HA   VAL  66           HA       VAL  66  12.868   7.562  13.615
  482    HB   VAL  66           HB       VAL  66  13.612   5.337  13.018
  483   1HG1  VAL  66          1HG1      VAL  66  10.844   6.050  13.332
  484   2HG1  VAL  66          2HG1      VAL  66  10.960   4.632  12.288
  485   3HG1  VAL  66          3HG1      VAL  66  11.678   4.603  13.898
  486   1HG2  VAL  66          1HG2      VAL  66  12.792   6.219  10.367
  487   2HG2  VAL  66          2HG2      VAL  66  13.860   4.890  10.817
  488   3HG2  VAL  66          3HG2      VAL  66  12.115   4.637  10.752
  489    H    TYR  67           H        TYR  67  14.961   6.088  11.844
  490    HA   TYR  67           HA       TYR  67  16.476   8.500  11.199
  491   1HB   TYR  67          1HB       TYR  67  17.012   5.658  11.555
  492   2HB   TYR  67          2HB       TYR  67  17.836   6.301  10.135
  493    HD1  TYR  67           HD1      TYR  67  16.994   7.679  13.531
  494    HD2  TYR  67           HD2      TYR  67  20.038   6.886  10.603
  495    HE1  TYR  67           HE1      TYR  67  18.684   8.751  14.996
  496    HE2  TYR  67           HE2      TYR  67  21.727   7.957  12.071
  497    HH   TYR  67           HH       TYR  67  21.705   8.326  14.931
  498    H    LYS  68           H        LYS  68  17.777   8.144   8.926
  499    HA   LYS  68           HA       LYS  68  15.867   7.362   6.801
  500   1HB   LYS  68          1HB       LYS  68  16.289   9.543   5.619
  501   2HB   LYS  68          2HB       LYS  68  15.362   9.713   7.110
  502   1HG   LYS  68          1HG       LYS  68  16.927  11.098   7.940
  503   2HG   LYS  68          2HG       LYS  68  18.148   9.837   7.763
  504   1HD   LYS  68          2HD       LYS  68  18.966  11.608   6.429
  505   2HD   LYS  68          1HD       LYS  68  18.208  10.517   5.269
  506   1HE   LYS  68          1HE       LYS  68  17.176  12.446   4.587
  507   2HE   LYS  68          2HE       LYS  68  16.071  12.041   5.901
  508   1HZ   LYS  68          1HZ       LYS  68  17.445  13.414   7.380
  509   2HZ   LYS  68          2HZ       LYS  68  18.411  13.864   6.060
  510   3HZ   LYS  68          3HZ       LYS  68  16.772  14.313   6.106
  511    HA   PRO  69           HA       PRO  69  19.900   6.011   5.394
  512   1HB   PRO  69          1HB       PRO  69  18.924   4.417   3.382
  513   2HB   PRO  69          2HB       PRO  69  18.968   3.927   5.084
  514   1HG   PRO  69          2HG       PRO  69  16.631   4.753   3.433
  515   2HG   PRO  69          1HG       PRO  69  16.679   3.723   4.872
  516   1HD   PRO  69          1HD       PRO  69  15.895   6.453   4.786
  517   2HD   PRO  69          2HD       PRO  69  16.206   5.491   6.246
  518    H    LEU  70           H        LEU  70  18.992   8.612   4.509
  519    HA   LEU  70           HA       LEU  70  19.461   8.468   1.563
  520   1HB   LEU  70          1HB       LEU  70  17.564   9.902   3.082
  521   2HB   LEU  70          2HB       LEU  70  18.727  11.100   2.512
  522    HG   LEU  70           HG       LEU  70  17.509   9.018   0.686
  523   1HD1  LEU  70          1HD1      LEU  70  15.787  10.545   1.764
  524   2HD1  LEU  70          2HD1      LEU  70  16.614  11.894   0.988
  525   3HD1  LEU  70          3HD1      LEU  70  15.869  10.634   0.005
  526   1HD2  LEU  70          1HD2      LEU  70  19.493  11.135   0.454
  527   2HD2  LEU  70          2HD2      LEU  70  19.075   9.869  -0.700
  528   3HD2  LEU  70          3HD2      LEU  70  18.163  11.378  -0.678
  529    H    SER  71           H        SER  71  21.647   8.630   1.246
  530    HA   SER  71           HA       SER  71  23.152  10.638   2.861
  531   1HB   SER  71          1HB       SER  71  23.790   8.041   2.387
  532   2HB   SER  71          2HB       SER  71  24.608   8.811   1.030
  533    HG   SER  71           HG       SER  71  25.737   8.620   3.172
  534    H    GLN  72           H        GLN  72  22.298  12.412   1.545
  535    HA   GLN  72           HA       GLN  72  22.732  12.499  -1.314
  536   1HB   GLN  72          1HB       GLN  72  21.305  14.015   0.513
  537   2HB   GLN  72          2HB       GLN  72  22.614  15.097   0.038
  538   1HG   GLN  72          1HG       GLN  72  21.801  15.349  -2.065
  539   2HG   GLN  72          2HG       GLN  72  21.409  13.635  -2.213
  540   2HE2  GLN  72          2HE2      GLN  72  20.199  15.602   0.475
  541   1HE2  GLN  72          1HE2      GLN  72  18.573  15.587  -0.014
  542    H    GLU  73           H        GLU  73  24.455  13.378  -2.453
  543    HA   GLU  73           HA       GLU  73  26.710  14.508  -0.852
  544   1HB   GLU  73          1HB       GLU  73  26.672  12.050  -2.383
  545   2HB   GLU  73          2HB       GLU  73  27.846  13.178  -3.062
  546   1HG   GLU  73          1HG       GLU  73  29.172  13.139  -1.189
  547   2HG   GLU  73          2HG       GLU  73  27.801  12.931  -0.097
  548    H    GLU  74           H        GLU  74  28.389  15.440  -2.622
  549    HA   GLU  74           HA       GLU  74  26.834  16.732  -4.813
  550   1HB   GLU  74          1HB       GLU  74  28.379  18.084  -2.609
  551   2HB   GLU  74          2HB       GLU  74  28.212  18.860  -4.185
  552   1HG   GLU  74          1HG       GLU  74  25.901  17.874  -2.486
  553   2HG   GLU  74          2HG       GLU  74  26.418  19.556  -2.611
  554    H    LEU  75           H        LEU  75  30.083  16.250  -3.393
  555    HA   LEU  75           HA       LEU  75  31.197  16.419  -6.154
  556   1HB   LEU  75          1HB       LEU  75  32.496  16.653  -3.429
  557   2HB   LEU  75          2HB       LEU  75  33.412  16.578  -4.934
  558    HG   LEU  75           HG       LEU  75  31.300  18.513  -5.205
  559   1HD1  LEU  75          1HD1      LEU  75  32.880  18.563  -2.663
  560   2HD1  LEU  75          2HD1      LEU  75  32.556  20.095  -3.475
  561   3HD1  LEU  75          3HD1      LEU  75  31.217  19.071  -2.958
  562   1HD2  LEU  75          1HD2      LEU  75  34.205  18.237  -5.570
  563   2HD2  LEU  75          2HD2      LEU  75  33.024  19.083  -6.570
  564   3HD2  LEU  75          3HD2      LEU  75  33.703  19.874  -5.147
  565    H    GLN  76           H        GLN  76  32.973  14.771  -3.654
  566    HA   GLN  76           HA       GLN  76  33.549  12.511  -3.399
  567   1HB   GLN  76          1HB       GLN  76  30.868  12.423  -3.760
  568   2HB   GLN  76          2HB       GLN  76  31.390  11.546  -5.200
  569   1HG   GLN  76          1HG       GLN  76  32.944  10.254  -3.542
  570   2HG   GLN  76          2HG       GLN  76  31.839  10.858  -2.307
  571   2HE2  GLN  76          2HE2      GLN  76  30.562   9.037  -1.820
  572   1HE2  GLN  76          1HE2      GLN  76  29.709   8.134  -2.977
  573    H    ARG  77           H        ARG  77  35.386  13.169  -4.810
  574    HA   ARG  77           HA       ARG  77  36.840  12.601  -6.567
  575   1HB   ARG  77          1HB       ARG  77  34.929  10.466  -6.478
  576   2HB   ARG  77          2HB       ARG  77  35.247  10.861  -8.168
  577   1HG   ARG  77          1HG       ARG  77  36.846   9.170  -7.285
  578   2HG   ARG  77          2HG       ARG  77  37.657  10.651  -7.795
  579   1HD   ARG  77          1HD       ARG  77  37.128  11.269  -5.207
  580   2HD   ARG  77          2HD       ARG  77  37.325   9.523  -5.074
  581    HE   ARG  77           HE       ARG  77  39.568   9.918  -6.280
  582   1HH1  ARG  77          1HH1      ARG  77  39.394  12.830  -6.648
  583   2HH1  ARG  77          2HH1      ARG  77  40.202  13.453  -5.249
  584   1HH2  ARG  77          1HH2      ARG  77  39.990  10.480  -3.476
  585   2HH2  ARG  77          2HH2      ARG  77  40.539  12.123  -3.452
  586    H    ILE  78           H        ILE  78  37.202  13.885  -8.313
  587    HA   ILE  78           HA       ILE  78  34.826  15.043  -9.690
  588    HB   ILE  78           HB       ILE  78  37.722  15.946  -9.604
  589   1HG1  ILE  78          2HG1      ILE  78  35.923  17.896  -8.621
  590   2HG1  ILE  78          1HG1      ILE  78  35.439  16.369  -7.884
  591   1HG2  ILE  78          1HG2      ILE  78  36.454  16.430 -11.754
  592   2HG2  ILE  78          2HG2      ILE  78  35.335  17.389 -10.785
  593   3HG2  ILE  78          3HG2      ILE  78  37.033  17.856 -10.891
  594   1HD1  ILE  78          1HD1      ILE  78  38.293  16.488  -7.854
  595   2HD1  ILE  78          2HD1      ILE  78  37.678  18.014  -7.215
  596   3HD1  ILE  78          3HD1      ILE  78  37.188  16.489  -6.478

  No H/Q in entry =         596
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1 -27.278   8.378  -7.071
    2    H2   MET   1           H2       MET   1 -27.670   8.303  -5.419
    3    H3   MET   1           H3       MET   1 -27.694   6.893  -6.367
    4    HA   MET   1           HA       MET   1 -29.849   7.224  -6.692
    5   1HB   MET   1          1HB       MET   1 -29.265   9.934  -5.479
    6   2HB   MET   1          2HB       MET   1 -30.883   9.449  -5.989
    7   1HG   MET   1          1HG       MET   1 -29.291   7.643  -4.192
    8   2HG   MET   1          2HG       MET   1 -30.139   9.029  -3.506
    9   1HE   MET   1          1HE       MET   1 -32.143   9.534  -3.390
   10   2HE   MET   1          2HE       MET   1 -33.299   9.142  -4.661
   11   3HE   MET   1          3HE       MET   1 -33.437   8.367  -3.085
   12    H    SER   2           H        SER   2 -31.325   8.285  -8.258
   13    HA   SER   2           HA       SER   2 -29.761   9.631 -10.418
   14   1HB   SER   2          1HB       SER   2 -30.869   7.397 -10.906
   15   2HB   SER   2          2HB       SER   2 -32.418   8.206 -10.696
   16    HG   SER   2           HG       SER   2 -31.154   8.070 -12.889
   17    H    ARG   3           H        ARG   3 -31.321  10.739  -7.968
   18    HA   ARG   3           HA       ARG   3 -33.549  12.207  -9.104
   19   1HB   ARG   3          2HB       ARG   3 -31.949  12.819  -6.601
   20   2HB   ARG   3          1HB       ARG   3 -33.557  13.428  -6.990
   21   1HG   ARG   3          1HG       ARG   3 -33.671  10.605  -7.249
   22   2HG   ARG   3          2HG       ARG   3 -32.839  10.943  -5.731
   23   1HD   ARG   3          1HD       ARG   3 -35.023  11.052  -4.991
   24   2HD   ARG   3          2HD       ARG   3 -34.802  12.732  -5.479
   25    HE   ARG   3           HE       ARG   3 -36.578  12.292  -6.957
   26   1HH1  ARG   3          1HH1      ARG   3 -35.803   9.261  -5.944
   27   2HH1  ARG   3          2HH1      ARG   3 -36.029   8.466  -7.466
   28   1HH2  ARG   3          1HH2      ARG   3 -36.295  11.418  -9.267
   29   2HH2  ARG   3          2HH2      ARG   3 -36.305   9.688  -9.349
   30    H    SER   4           H        SER   4 -32.880  14.831  -8.029
   31    HA   SER   4           HA       SER   4 -31.802  16.086 -10.298
   32   1HB   SER   4          1HB       SER   4 -32.432  16.864  -7.560
   33   2HB   SER   4          2HB       SER   4 -31.029  17.730  -8.179
   34    HG   SER   4           HG       SER   4 -33.319  18.512  -8.631
   35    HA   PRO   5           HA       PRO   5 -27.493  15.967  -8.258
   36   1HB   PRO   5          1HB       PRO   5 -27.235  14.608  -5.883
   37   2HB   PRO   5          2HB       PRO   5 -27.635  16.332  -5.984
   38   1HG   PRO   5          2HG       PRO   5 -29.405  14.031  -5.312
   39   2HG   PRO   5          1HG       PRO   5 -29.556  15.734  -4.851
   40   1HD   PRO   5          1HD       PRO   5 -31.016  14.425  -6.899
   41   2HD   PRO   5          2HD       PRO   5 -30.932  16.178  -6.623
   42    H    ASP   6           H        ASP   6 -25.882  14.432  -8.800
   43    HA   ASP   6           HA       ASP   6 -26.883  11.653  -9.249
   44   1HB   ASP   6          1HB       ASP   6 -24.819  13.348 -10.652
   45   2HB   ASP   6          2HB       ASP   6 -24.822  11.591 -10.822
   46    H    ALA   7           H        ALA   7 -24.662  10.177  -9.384
   47    HA   ALA   7           HA       ALA   7 -22.667  10.824  -7.389
   48   1HB   ALA   7          1HB       ALA   7 -24.037  10.302  -5.621
   49   2HB   ALA   7          3HB       ALA   7 -23.531   8.663  -6.029
   50   3HB   ALA   7          2HB       ALA   7 -25.083   9.274  -6.601
   51    H    LYS   8           H        LYS   8 -20.887   9.637  -7.882
   52    HA   LYS   8           HA       LYS   8 -21.265   7.003  -9.229
   53   1HB   LYS   8          1HB       LYS   8 -20.528   9.257 -10.612
   54   2HB   LYS   8          2HB       LYS   8 -18.958   8.582 -10.171
   55   1HG   LYS   8          1HG       LYS   8 -19.188   6.844 -11.603
   56   2HG   LYS   8          2HG       LYS   8 -20.851   6.545 -11.095
   57   1HD   LYS   8          2HD       LYS   8 -21.598   7.502 -12.984
   58   2HD   LYS   8          1HD       LYS   8 -20.813   9.014 -12.525
   59   1HE   LYS   8          1HE       LYS   8 -19.354   6.728 -13.872
   60   2HE   LYS   8          2HE       LYS   8 -20.070   8.076 -14.756
   61   1HZ   LYS   8          1HZ       LYS   8 -18.723   9.523 -13.160
   62   2HZ   LYS   8          2HZ       LYS   8 -17.838   8.115 -12.827
   63   3HZ   LYS   8          3HZ       LYS   8 -17.888   8.730 -14.410
   64    H    GLU   9           H        GLU   9 -20.600   7.609  -6.471
   65    HA   GLU   9           HA       GLU   9 -17.695   7.084  -6.279
   66   1HB   GLU   9          1HB       GLU   9 -19.053   8.680  -4.745
   67   2HB   GLU   9          2HB       GLU   9 -19.609   7.206  -3.952
   68   1HG   GLU   9          2HG       GLU   9 -17.722   7.478  -2.697
   69   2HG   GLU   9          1HG       GLU   9 -16.937   6.713  -4.080
   70    H    ASP  10           H        ASP  10 -17.422   4.946  -6.943
   71    HA   ASP  10           HA       ASP  10 -19.172   2.799  -6.072
   72   1HB   ASP  10          2HB       ASP  10 -16.346   2.593  -7.155
   73   2HB   ASP  10          1HB       ASP  10 -17.581   1.335  -7.169
   74    HA   PRO  11           HA       PRO  11 -17.280   1.848  -2.223
   75   1HB   PRO  11          1HB       PRO  11 -17.615  -0.882  -2.165
   76   2HB   PRO  11          2HB       PRO  11 -18.934   0.274  -1.909
   77   1HG   PRO  11          2HG       PRO  11 -18.349  -1.407  -4.302
   78   2HG   PRO  11          1HG       PRO  11 -19.897  -0.753  -3.741
   79   1HD   PRO  11          1HD       PRO  11 -18.326   0.290  -5.848
   80   2HD   PRO  11          2HD       PRO  11 -19.688   1.113  -5.059
   81    H    VAL  12           H        VAL  12 -15.347   0.873  -1.269
   82    HA   VAL  12           HA       VAL  12 -13.400  -0.056  -3.339
   83    HB   VAL  12           HB       VAL  12 -12.398   0.916  -0.715
   84   1HG1  VAL  12          1HG1      VAL  12 -11.505   0.546  -3.446
   85   2HG1  VAL  12          2HG1      VAL  12 -11.168   2.189  -2.903
   86   3HG1  VAL  12          3HG1      VAL  12 -10.546   0.814  -1.991
   87   1HG2  VAL  12          1HG2      VAL  12 -13.992   2.589  -2.618
   88   2HG2  VAL  12          2HG2      VAL  12 -13.843   2.722  -0.867
   89   3HG2  VAL  12          3HG2      VAL  12 -12.544   3.301  -1.909
   90    H    GLU  13           H        GLU  13 -12.631  -2.100  -3.120
   91    HA   GLU  13           HA       GLU  13 -12.768  -3.384  -0.429
   92   1HB   GLU  13          1HB       GLU  13 -13.723  -4.530  -3.066
   93   2HB   GLU  13          2HB       GLU  13 -13.428  -5.517  -1.634
   94   1HG   GLU  13          1HG       GLU  13 -15.303  -4.772  -0.578
   95   2HG   GLU  13          2HG       GLU  13 -15.096  -3.122  -1.167
   96    H    CYS  14           H        CYS  14 -11.090  -4.898  -0.044
   97    HA   CYS  14           HA       CYS  14  -8.601  -4.421  -1.313
   98   1HB   CYS  14          1HB       CYS  14  -9.021  -5.493   0.963
   99   2HB   CYS  14          2HB       CYS  14  -9.345  -6.991   0.092
  100    HA   PRO  15           HA       PRO  15  -9.424  -6.864  -4.972
  101   1HB   PRO  15          1HB       PRO  15  -7.135  -6.099  -6.284
  102   2HB   PRO  15          2HB       PRO  15  -8.599  -5.104  -6.205
  103   1HG   PRO  15          2HG       PRO  15  -6.016  -4.758  -4.759
  104   2HG   PRO  15          1HG       PRO  15  -7.232  -3.544  -5.192
  105   1HD   PRO  15          1HD       PRO  15  -6.875  -4.712  -2.630
  106   2HD   PRO  15          2HD       PRO  15  -8.256  -3.724  -3.152
  107    H    LEU  16           H        LEU  16  -7.208  -7.415  -2.546
  108    HA   LEU  16           HA       LEU  16  -5.908  -9.645  -4.051
  109   1HB   LEU  16          1HB       LEU  16  -4.856  -9.126  -1.369
  110   2HB   LEU  16          2HB       LEU  16  -3.998  -9.270  -2.900
  111    HG   LEU  16           HG       LEU  16  -5.522  -6.802  -2.013
  112   1HD1  LEU  16          1HD1      LEU  16  -3.006  -7.772  -1.154
  113   2HD1  LEU  16          2HD1      LEU  16  -2.671  -6.466  -2.293
  114   3HD1  LEU  16          3HD1      LEU  16  -3.683  -6.168  -0.881
  115   1HD2  LEU  16          1HD2      LEU  16  -3.994  -7.602  -4.459
  116   2HD2  LEU  16          2HD2      LEU  16  -5.442  -6.605  -4.319
  117   3HD2  LEU  16          3HD2      LEU  16  -3.863  -5.929  -3.913
  118    H    CYS  17           H        CYS  17  -8.193  -8.927  -1.574
  119    HA   CYS  17           HA       CYS  17  -8.441 -11.841  -1.054
  120   1HB   CYS  17          1HB       CYS  17  -8.451 -11.608   1.321
  121   2HB   CYS  17          2HB       CYS  17  -7.039 -10.710   0.766
  122    H    MET  18           H        MET  18  -9.908  -9.261  -2.218
  123    HA   MET  18           HA       MET  18 -12.130  -8.511  -2.347
  124   1HB   MET  18          1HB       MET  18 -12.253 -10.894  -3.206
  125   2HB   MET  18          2HB       MET  18 -12.769 -11.373  -1.590
  126   1HG   MET  18          1HG       MET  18 -14.812 -10.289  -1.768
  127   2HG   MET  18          2HG       MET  18 -14.202  -9.113  -2.932
  128   1HE   MET  18          1HE       MET  18 -15.725  -9.047  -4.629
  129   2HE   MET  18          2HE       MET  18 -16.487 -10.368  -5.512
  130   3HE   MET  18          3HE       MET  18 -16.926 -10.055  -3.828
  131    H    GLU  19           H        GLU  19 -12.296  -7.115  -0.570
  132    HA   GLU  19           HA       GLU  19 -13.950  -8.089   1.644
  133   1HB   GLU  19          1HB       GLU  19 -11.047  -7.661   1.928
  134   2HB   GLU  19          2HB       GLU  19 -12.022  -6.806   3.125
  135   1HG   GLU  19          1HG       GLU  19 -13.087  -9.451   2.789
  136   2HG   GLU  19          2HG       GLU  19 -11.352  -9.570   3.085
  137    HA   PRO  20           HA       PRO  20 -15.280  -3.911   1.410
  138   1HB   PRO  20          1HB       PRO  20 -16.485  -3.718   3.873
  139   2HB   PRO  20          2HB       PRO  20 -17.187  -4.599   2.506
  140   1HG   PRO  20          2HG       PRO  20 -15.866  -5.678   4.955
  141   2HG   PRO  20          1HG       PRO  20 -17.105  -6.420   3.929
  142   1HD   PRO  20          1HD       PRO  20 -14.345  -7.029   3.881
  143   2HD   PRO  20          2HD       PRO  20 -15.532  -7.484   2.640
  144    H    LEU  21           H        LEU  21 -13.729  -2.316   1.536
  145    HA   LEU  21           HA       LEU  21 -11.900  -2.110   3.796
  146   1HB   LEU  21          1HB       LEU  21 -12.408  -0.415   1.344
  147   2HB   LEU  21          2HB       LEU  21 -11.260   0.070   2.592
  148    HG   LEU  21           HG       LEU  21 -11.074  -2.710   1.501
  149   1HD1  LEU  21          1HD1      LEU  21 -11.216  -0.692  -0.306
  150   2HD1  LEU  21          2HD1      LEU  21  -9.501  -0.618   0.098
  151   3HD1  LEU  21          3HD1      LEU  21 -10.195  -2.114  -0.529
  152   1HD2  LEU  21          1HD2      LEU  21  -9.120  -0.612   2.492
  153   2HD2  LEU  21          2HD2      LEU  21  -9.610  -2.084   3.330
  154   3HD2  LEU  21          3HD2      LEU  21  -8.633  -2.186   1.865
  155    H    GLU  22           H        GLU  22 -11.703   0.508   4.436
  156    HA   GLU  22           HA       GLU  22 -14.373   1.589   5.063
  157   1HB   GLU  22          1HB       GLU  22 -13.063  -0.073   6.922
  158   2HB   GLU  22          2HB       GLU  22 -12.805   1.572   7.500
  159   1HG   GLU  22          1HG       GLU  22 -15.475   1.547   6.682
  160   2HG   GLU  22          2HG       GLU  22 -15.252  -0.009   7.481
  161    H    ILE  23           H        ILE  23 -13.327   3.332   7.141
  162    HA   ILE  23           HA       ILE  23 -11.999   5.288   5.399
  163    HB   ILE  23           HB       ILE  23 -13.117   5.348   8.202
  164   1HG1  ILE  23          2HG1      ILE  23 -14.372   7.303   7.076
  165   2HG1  ILE  23          1HG1      ILE  23 -13.732   6.675   5.558
  166   1HG2  ILE  23          1HG2      ILE  23 -11.001   6.631   8.213
  167   2HG2  ILE  23          2HG2      ILE  23 -11.563   7.559   6.820
  168   3HG2  ILE  23          3HG2      ILE  23 -12.400   7.696   8.368
  169   1HD1  ILE  23          1HD1      ILE  23 -14.956   4.651   7.335
  170   2HD1  ILE  23          2HD1      ILE  23 -16.076   5.839   6.667
  171   3HD1  ILE  23          3HD1      ILE  23 -15.095   4.847   5.588
  172    H    ASP  24           H        ASP  24 -11.224   3.459   8.352
  173    HA   ASP  24           HA       ASP  24  -8.500   4.572   8.404
  174   1HB   ASP  24          1HB       ASP  24 -10.106   3.771  10.404
  175   2HB   ASP  24          2HB       ASP  24  -9.247   2.256  10.122
  176    H    ASP  25           H        ASP  25  -9.289   2.973   6.065
  177    HA   ASP  25           HA       ASP  25  -7.077   1.006   6.214
  178   1HB   ASP  25          1HB       ASP  25  -9.881   0.302   5.292
  179   2HB   ASP  25          2HB       ASP  25  -8.471  -0.751   5.160
  180    H    ILE  26           H        ILE  26  -9.506   2.652   4.202
  181    HA   ILE  26           HA       ILE  26  -8.339   2.051   1.672
  182    HB   ILE  26           HB       ILE  26  -9.933   4.465   2.583
  183   1HG1  ILE  26          1HG1      ILE  26 -10.763   2.056   0.938
  184   2HG1  ILE  26          2HG1      ILE  26 -11.015   2.180   2.679
  185   1HG2  ILE  26          1HG2      ILE  26  -8.959   3.588  -0.138
  186   2HG2  ILE  26          2HG2      ILE  26 -10.382   4.612   0.049
  187   3HG2  ILE  26          3HG2      ILE  26  -8.810   5.176   0.616
  188   1HD1  ILE  26          1HD1      ILE  26 -11.957   4.410   0.907
  189   2HD1  ILE  26          2HD1      ILE  26 -12.920   2.936   1.019
  190   3HD1  ILE  26          3HD1      ILE  26 -12.587   3.883   2.469
  191    H    ASN  27           H        ASN  27  -8.024   5.075   3.573
  192    HA   ASN  27           HA       ASN  27  -5.980   6.230   1.988
  193   1HB   ASN  27          2HB       ASN  27  -6.369   6.528   4.983
  194   2HB   ASN  27          1HB       ASN  27  -5.519   7.653   3.922
  195   2HD2  ASN  27          2HD2      ASN  27  -6.964   8.465   1.991
  196   1HD2  ASN  27          1HD2      ASN  27  -8.581   8.818   2.365
  197    H    PHE  28           H        PHE  28  -5.834   3.515   4.075
  198    HA   PHE  28           HA       PHE  28  -2.924   3.784   4.528
  199   1HB   PHE  28          1HB       PHE  28  -4.330   2.903   6.351
  200   2HB   PHE  28          2HB       PHE  28  -4.866   1.587   5.308
  201    HD1  PHE  28           HD1      PHE  28  -2.005   2.998   7.171
  202    HD2  PHE  28           HD2      PHE  28  -3.403  -0.272   4.760
  203    HE1  PHE  28           HE1      PHE  28  -0.011   1.670   7.814
  204    HE2  PHE  28           HE2      PHE  28  -1.409  -1.599   5.405
  205    HZ   PHE  28           HZ       PHE  28   0.286  -0.628   6.931
  206    H    PHE  29           H        PHE  29  -1.761   3.341   2.688
  207    HA   PHE  29           HA       PHE  29  -2.387   0.770   1.292
  208   1HB   PHE  29          1HB       PHE  29  -1.301   2.043  -0.737
  209   2HB   PHE  29          2HB       PHE  29  -2.996   2.327  -0.342
  210    HD1  PHE  29           HD1      PHE  29   0.456   3.663   0.146
  211    HD2  PHE  29           HD2      PHE  29  -3.760   4.445   0.353
  212    HE1  PHE  29           HE1      PHE  29   0.916   6.075   0.510
  213    HE2  PHE  29           HE2      PHE  29  -3.308   6.845   0.718
  214    HZ   PHE  29           HZ       PHE  29  -0.965   7.668   0.796
  215    HA   PRO  30           HA       PRO  30   1.855  -0.104   2.100
  216   1HB   PRO  30          1HB       PRO  30   2.106  -2.228   0.376
  217   2HB   PRO  30          2HB       PRO  30   1.256  -2.329   1.926
  218   1HG   PRO  30          2HG       PRO  30   0.125  -2.239  -0.828
  219   2HG   PRO  30          1HG       PRO  30  -0.575  -2.920   0.649
  220   1HD   PRO  30          1HD       PRO  30  -1.244  -0.421  -0.527
  221   2HD   PRO  30          2HD       PRO  30  -1.729  -0.991   1.085
  222    H    CYS  31           H        CYS  31   0.641   0.836  -0.992
  223    HA   CYS  31           HA       CYS  31   3.435   1.380  -1.904
  224   1HB   CYS  31          1HB       CYS  31   2.270  -0.448  -3.195
  225   2HB   CYS  31          2HB       CYS  31   1.082   0.755  -3.702
  226    H    THR  32           H        THR  32   3.556   3.267  -3.417
  227    HA   THR  32           HA       THR  32   1.777   5.413  -2.445
  228    HB   THR  32           HB       THR  32   4.204   5.817  -2.506
  229    HG1  THR  32           HG1      THR  32   4.035   7.682  -4.047
  230   1HG2  THR  32          1HG2      THR  32   4.005   4.476  -4.992
  231   2HG2  THR  32          2HG2      THR  32   4.533   6.120  -5.350
  232   3HG2  THR  32          3HG2      THR  32   5.461   5.120  -4.234
  233    H    CYS  33           H        CYS  33   2.147   3.414  -5.256
  234    HA   CYS  33           HA       CYS  33   1.123   5.145  -7.256
  235   1HB   CYS  33          2HB       CYS  33   0.570   3.174  -8.512
  236   2HB   CYS  33          1HB       CYS  33   2.043   2.809  -7.616
  237    H    GLY  34           H        GLY  34  -0.513   3.387  -4.678
  238   1HA   GLY  34          2HA       GLY  34  -3.068   4.651  -5.592
  239   2HA   GLY  34          1HA       GLY  34  -2.605   4.560  -3.893
  240    H    TYR  35           H        TYR  35  -1.502   1.719  -4.690
  241    HA   TYR  35           HA       TYR  35  -4.045   0.278  -5.090
  242   1HB   TYR  35          1HB       TYR  35  -1.551  -0.352  -5.883
  243   2HB   TYR  35          2HB       TYR  35  -1.550  -1.173  -4.322
  244    HD1  TYR  35           HD1      TYR  35  -4.171  -0.604  -6.946
  245    HD2  TYR  35           HD2      TYR  35  -1.994  -3.460  -4.583
  246    HE1  TYR  35           HE1      TYR  35  -5.515  -2.443  -7.925
  247    HE2  TYR  35           HE2      TYR  35  -3.337  -5.294  -5.568
  248    HH   TYR  35           HH       TYR  35  -4.655  -5.704  -7.631
  249    H    GLN  36           H        GLN  36  -4.754   1.439  -2.981
  250    HA   GLN  36           HA       GLN  36  -3.645   0.593  -0.468
  251   1HB   GLN  36          1HB       GLN  36  -6.546   1.307  -0.672
  252   2HB   GLN  36          2HB       GLN  36  -5.355   1.797   0.532
  253   1HG   GLN  36          1HG       GLN  36  -5.168   3.744  -0.570
  254   2HG   GLN  36          2HG       GLN  36  -4.410   2.859  -1.892
  255   2HE2  GLN  36          2HE2      GLN  36  -7.396   4.363  -0.792
  256   1HE2  GLN  36          1HE2      GLN  36  -8.244   4.192  -2.254
  257    H    ILE  37           H        ILE  37  -3.958  -1.273   0.652
  258    HA   ILE  37           HA       ILE  37  -6.198  -3.059  -0.203
  259    HB   ILE  37           HB       ILE  37  -4.567  -4.972   0.240
  260   1HG1  ILE  37          1HG1      ILE  37  -2.463  -2.843  -0.176
  261   2HG1  ILE  37          2HG1      ILE  37  -2.961  -3.343   1.440
  262   1HG2  ILE  37          1HG2      ILE  37  -4.801  -3.192  -2.043
  263   2HG2  ILE  37          2HG2      ILE  37  -3.211  -3.953  -1.993
  264   3HG2  ILE  37          3HG2      ILE  37  -4.665  -4.950  -2.011
  265   1HD1  ILE  37          1HD1      ILE  37  -2.536  -5.763   0.548
  266   2HD1  ILE  37          2HD1      ILE  37  -1.576  -4.954  -0.690
  267   3HD1  ILE  37          3HD1      ILE  37  -1.154  -4.771   1.013
  268    H    CYS  38           H        CYS  38  -7.017  -4.418   1.491
  269    HA   CYS  38           HA       CYS  38  -7.321  -3.352   4.021
  270   1HB   CYS  38          1HB       CYS  38  -8.212  -5.421   4.690
  271   2HB   CYS  38          2HB       CYS  38  -8.389  -5.481   2.940
  272    H    ARG  39           H        ARG  39  -6.320  -3.962   6.130
  273    HA   ARG  39           HA       ARG  39  -3.412  -3.891   5.920
  274   1HB   ARG  39          1HB       ARG  39  -5.431  -3.633   8.082
  275   2HB   ARG  39          2HB       ARG  39  -3.844  -4.231   8.569
  276   1HG   ARG  39          1HG       ARG  39  -3.505  -2.041   6.732
  277   2HG   ARG  39          2HG       ARG  39  -4.586  -1.545   8.036
  278   1HD   ARG  39          1HD       ARG  39  -2.724  -2.838   9.494
  279   2HD   ARG  39          2HD       ARG  39  -1.714  -2.317   8.146
  280    HE   ARG  39           HE       ARG  39  -2.611   0.031   8.656
  281   1HH1  ARG  39          1HH1      ARG  39  -3.742  -2.084  10.981
  282   2HH1  ARG  39          2HH1      ARG  39  -3.113  -1.215  12.342
  283   1HH2  ARG  39          1HH2      ARG  39  -1.253   0.988  10.414
  284   2HH2  ARG  39          2HH2      ARG  39  -1.704   0.523  12.021
  285    H    PHE  40           H        PHE  40  -5.666  -6.407   5.937
  286    HA   PHE  40           HA       PHE  40  -3.979  -8.320   7.402
  287   1HB   PHE  40          1HB       PHE  40  -6.682  -8.190   6.832
  288   2HB   PHE  40          2HB       PHE  40  -6.109  -9.429   5.717
  289    HD1  PHE  40           HD1      PHE  40  -3.912 -10.690   7.171
  290    HD2  PHE  40           HD2      PHE  40  -7.713  -9.308   8.616
  291    HE1  PHE  40           HE1      PHE  40  -3.794 -12.318   9.037
  292    HE2  PHE  40           HE2      PHE  40  -7.595 -10.936  10.483
  293    HZ   PHE  40           HZ       PHE  40  -5.636 -12.440  10.694
  294    H    CYS  41           H        CYS  41  -4.241  -7.137   4.190
  295    HA   CYS  41           HA       CYS  41  -3.037  -9.561   2.999
  296   1HB   CYS  41          1HB       CYS  41  -4.235  -7.029   1.959
  297   2HB   CYS  41          2HB       CYS  41  -3.035  -7.839   0.951
  298    H    TRP  42           H        TRP  42  -2.164  -6.273   3.921
  299    HA   TRP  42           HA       TRP  42   0.452  -6.359   2.659
  300   1HB   TRP  42          1HB       TRP  42  -0.555  -4.200   3.072
  301   2HB   TRP  42          2HB       TRP  42  -0.732  -4.556   4.789
  302    HD1  TRP  42           HD1      TRP  42   2.143  -4.348   2.199
  303    HE1  TRP  42           HE1      TRP  42   4.207  -3.349   3.378
  304    HE3  TRP  42           HE3      TRP  42   0.293  -3.833   6.931
  305    HZ2  TRP  42           HZ2      TRP  42   4.970  -2.446   5.983
  306    HZ3  TRP  42           HZ3      TRP  42   1.707  -2.900   8.739
  307    HH2  TRP  42           HH2      TRP  42   4.041  -2.207   8.272
  308    H    HIS  43           H        HIS  43  -0.850  -7.246   5.804
  309    HA   HIS  43           HA       HIS  43   1.697  -7.447   7.150
  310   1HB   HIS  43          1HB       HIS  43  -1.068  -8.517   7.674
  311   2HB   HIS  43          2HB       HIS  43   0.295  -9.062   8.653
  312    HD1  HIS  43           HD1      HIS  43   0.391  -7.735  10.751
  313    HD2  HIS  43           HD2      HIS  43  -0.751  -5.373   7.511
  314    HE1  HIS  43           HE1      HIS  43   0.126  -5.378  11.640
  315    H    ARG  44           H        ARG  44   0.208  -9.334   4.732
  316    HA   ARG  44           HA       ARG  44   1.764 -11.758   5.484
  317   1HB   ARG  44          1HB       ARG  44  -0.783 -11.524   4.501
  318   2HB   ARG  44          2HB       ARG  44   0.131 -11.813   3.021
  319   1HG   ARG  44          2HG       ARG  44   0.036 -14.005   3.566
  320   2HG   ARG  44          1HG       ARG  44   1.233 -13.628   4.807
  321   1HD   ARG  44          1HD       ARG  44  -0.447 -13.346   6.480
  322   2HD   ARG  44          2HD       ARG  44  -1.738 -13.324   5.280
  323    HE   ARG  44           HE       ARG  44  -0.123 -15.803   5.559
  324   1HH1  ARG  44          1HH1      ARG  44  -2.856 -15.175   4.126
  325   2HH1  ARG  44          2HH1      ARG  44  -3.924 -16.073   5.154
  326   1HH2  ARG  44          1HH2      ARG  44  -1.582 -16.480   7.679
  327   2HH2  ARG  44          2HH2      ARG  44  -3.204 -16.809   7.165
  328    H    ILE  45           H        ILE  45   1.471  -9.277   2.988
  329    HA   ILE  45           HA       ILE  45   3.386 -10.488   1.184
  330    HB   ILE  45           HB       ILE  45   2.186  -7.730   1.454
  331   1HG1  ILE  45          1HG1      ILE  45   2.051  -9.199  -1.088
  332   2HG1  ILE  45          2HG1      ILE  45   1.325 -10.075   0.262
  333   1HG2  ILE  45          1HG2      ILE  45   4.592  -8.580  -0.078
  334   2HG2  ILE  45          2HG2      ILE  45   3.418  -7.590  -0.946
  335   3HG2  ILE  45          3HG2      ILE  45   4.156  -6.986   0.538
  336   1HD1  ILE  45          1HD1      ILE  45   0.174  -7.808   0.817
  337   2HD1  ILE  45          2HD1      ILE  45   0.588  -7.371  -0.841
  338   3HD1  ILE  45          3HD1      ILE  45  -0.454  -8.758  -0.529
  339    H    ARG  46           H        ARG  46   3.584  -8.148   3.835
  340    HA   ARG  46           HA       ARG  46   6.479  -7.774   3.383
  341   1HB   ARG  46          1HB       ARG  46   4.848  -5.935   4.155
  342   2HB   ARG  46          2HB       ARG  46   4.883  -6.734   5.727
  343   1HG   ARG  46          1HG       ARG  46   6.849  -5.757   6.206
  344   2HG   ARG  46          2HG       ARG  46   7.574  -6.477   4.769
  345   1HD   ARG  46          1HD       ARG  46   6.321  -4.559   3.497
  346   2HD   ARG  46          2HD       ARG  46   6.275  -3.784   5.081
  347    HE   ARG  46           HE       ARG  46   8.871  -4.688   3.908
  348   1HH1  ARG  46          1HH1      ARG  46   8.177  -3.183   6.601
  349   2HH1  ARG  46          2HH1      ARG  46   8.796  -1.613   6.206
  350   1HH2  ARG  46          1HH2      ARG  46   9.077  -2.288   2.816
  351   2HH2  ARG  46          2HH2      ARG  46   9.304  -1.107   4.063
  352    H    THR  47           H        THR  47   5.276 -10.422   4.206
  353    HA   THR  47           HA       THR  47   7.036 -10.826   6.578
  354    HB   THR  47           HB       THR  47   5.253 -12.516   7.365
  355    HG1  THR  47           HG1      THR  47   3.352 -12.438   6.435
  356   1HG2  THR  47          1HG2      THR  47   5.711 -10.380   8.507
  357   2HG2  THR  47          2HG2      THR  47   4.613  -9.554   7.402
  358   3HG2  THR  47          3HG2      THR  47   3.989 -10.755   8.534
  359    H    ASP  48           H        ASP  48   5.257 -12.308   3.882
  360    HA   ASP  48           HA       ASP  48   7.253 -14.534   3.918
  361   1HB   ASP  48          1HB       ASP  48   4.759 -15.072   4.176
  362   2HB   ASP  48          2HB       ASP  48   4.584 -14.563   2.496
  363    H    GLU  49           H        GLU  49   5.733 -12.032   1.971
  364    HA   GLU  49           HA       GLU  49   7.176 -12.898  -0.455
  365   1HB   GLU  49          1HB       GLU  49   4.791 -11.553  -0.042
  366   2HB   GLU  49          2HB       GLU  49   5.890 -10.260  -0.519
  367   1HG   GLU  49          1HG       GLU  49   6.618 -11.997  -2.379
  368   2HG   GLU  49          2HG       GLU  49   5.016 -12.670  -2.069
  369    H    ASN  50           H        ASN  50   7.618 -10.134  -1.375
  370    HA   ASN  50           HA       ASN  50  10.049  -9.565   0.262
  371   1HB   ASN  50          1HB       ASN  50  10.113 -10.117  -2.306
  372   2HB   ASN  50          2HB       ASN  50   9.587  -8.443  -2.487
  373   2HD2  ASN  50          2HD2      ASN  50  11.161  -6.807  -2.213
  374   1HD2  ASN  50          1HD2      ASN  50  12.759  -7.105  -1.728
  375    H    GLY  51           H        GLY  51   6.946  -8.413  -0.371
  376   1HA   GLY  51          2HA       GLY  51   7.593  -5.857   0.953
  377   2HA   GLY  51          1HA       GLY  51   5.971  -6.477   0.636
  378    H    LEU  52           H        LEU  52   6.205  -6.979  -2.126
  379    HA   LEU  52           HA       LEU  52   6.899  -4.312  -3.266
  380   1HB   LEU  52          1HB       LEU  52   6.592  -7.057  -4.497
  381   2HB   LEU  52          2HB       LEU  52   6.650  -5.592  -5.480
  382    HG   LEU  52           HG       LEU  52   8.773  -6.447  -3.489
  383   1HD1  LEU  52          1HD1      LEU  52   8.526  -6.669  -6.486
  384   2HD1  LEU  52          2HD1      LEU  52  10.108  -6.594  -5.710
  385   3HD1  LEU  52          3HD1      LEU  52   8.999  -7.910  -5.325
  386   1HD2  LEU  52          1HD2      LEU  52   8.517  -4.103  -5.391
  387   2HD2  LEU  52          2HD2      LEU  52   8.733  -4.050  -3.642
  388   3HD2  LEU  52          3HD2      LEU  52  10.053  -4.592  -4.677
  389    H    CYS  53           H        CYS  53   5.357  -3.735  -5.187
  390    HA   CYS  53           HA       CYS  53   2.636  -3.726  -4.080
  391   1HB   CYS  53          1HB       CYS  53   3.740  -1.698  -5.103
  392   2HB   CYS  53          2HB       CYS  53   3.612  -2.500  -6.668
  393    HA   PRO  54           HA       PRO  54   1.506  -7.127  -6.747
  394   1HB   PRO  54          1HB       PRO  54  -1.070  -7.324  -5.812
  395   2HB   PRO  54          2HB       PRO  54   0.332  -7.979  -4.948
  396   1HG   PRO  54          2HG       PRO  54  -1.287  -5.555  -4.330
  397   2HG   PRO  54          1HG       PRO  54  -0.323  -6.566  -3.242
  398   1HD   PRO  54          1HD       PRO  54   0.442  -4.045  -4.300
  399   2HD   PRO  54          2HD       PRO  54   1.497  -5.191  -3.448
  400    H    ALA  55           H        ALA  55   0.841  -3.974  -7.153
  401    HA   ALA  55           HA       ALA  55  -1.125  -4.512  -9.338
  402   1HB   ALA  55          1HB       ALA  55  -1.201  -2.506  -7.145
  403   2HB   ALA  55          3HB       ALA  55  -1.682  -1.938  -8.744
  404   3HB   ALA  55          2HB       ALA  55  -2.529  -3.293  -7.998
  405    H    CYS  56           H        CYS  56   1.638  -2.598  -8.211
  406    HA   CYS  56           HA       CYS  56   2.084  -1.852 -11.065
  407   1HB   CYS  56          1HB       CYS  56   2.587   0.364 -10.543
  408   2HB   CYS  56          2HB       CYS  56   1.276   0.025  -9.420
  409    H    ARG  57           H        ARG  57   3.275  -3.477  -8.405
  410    HA   ARG  57           HA       ARG  57   5.290  -4.691  -8.252
  411   1HB   ARG  57          1HB       ARG  57   6.628  -4.869 -10.080
  412   2HB   ARG  57          2HB       ARG  57   5.347  -3.963 -10.874
  413   1HG   ARG  57          2HG       ARG  57   7.197  -2.690 -11.463
  414   2HG   ARG  57          1HG       ARG  57   6.716  -1.872  -9.981
  415   1HD   ARG  57          1HD       ARG  57   8.679  -2.388  -9.015
  416   2HD   ARG  57          2HD       ARG  57   8.402  -4.102  -9.317
  417    HE   ARG  57           HE       ARG  57   9.747  -3.938 -11.278
  418   1HH1  ARG  57          1HH1      ARG  57   8.806  -1.575 -12.642
  419   2HH1  ARG  57          2HH1      ARG  57  10.058  -0.407 -12.384
  420   1HH2  ARG  57          1HH2      ARG  57  11.485  -2.130  -9.734
  421   2HH2  ARG  57          2HH2      ARG  57  11.574  -0.721 -10.739
  422    H    LYS  58           H        LYS  58   5.455  -1.166  -8.618
  423    HA   LYS  58           HA       LYS  58   7.858  -0.519  -7.440
  424   1HB   LYS  58          1HB       LYS  58   5.842   0.999  -8.123
  425   2HB   LYS  58          2HB       LYS  58   5.355   0.821  -6.438
  426   1HG   LYS  58          1HG       LYS  58   7.337   1.842  -5.638
  427   2HG   LYS  58          2HG       LYS  58   8.157   1.653  -7.187
  428   1HD   LYS  58          1HD       LYS  58   7.063   3.449  -8.145
  429   2HD   LYS  58          2HD       LYS  58   5.634   3.253  -7.129
  430   1HE   LYS  58          1HE       LYS  58   6.434   4.916  -5.836
  431   2HE   LYS  58          2HE       LYS  58   7.716   3.814  -5.337
  432   1HZ   LYS  58          1HZ       LYS  58   7.840   5.513  -7.767
  433   2HZ   LYS  58          2HZ       LYS  58   8.524   5.942  -6.272
  434   3HZ   LYS  58          3HZ       LYS  58   9.092   4.577  -7.109
  435    HA   PRO  59           HA       PRO  59   7.707  -2.402  -3.446
  436   1HB   PRO  59          1HB       PRO  59   9.890  -1.110  -2.388
  437   2HB   PRO  59          2HB       PRO  59  10.008  -2.454  -3.539
  438   1HG   PRO  59          2HG       PRO  59  10.460   0.458  -4.001
  439   2HG   PRO  59          1HG       PRO  59  11.136  -0.934  -4.864
  440   1HD   PRO  59          1HD       PRO  59   9.005   0.699  -5.762
  441   2HD   PRO  59          2HD       PRO  59   9.473  -0.873  -6.442
  442    H    TYR  60           H        TYR  60   6.752  -1.879  -1.480
  443    HA   TYR  60           HA       TYR  60   5.273   0.438  -1.067
  444   1HB   TYR  60          2HB       TYR  60   6.644  -1.071   1.172
  445   2HB   TYR  60          1HB       TYR  60   5.121  -0.188   1.254
  446    HD1  TYR  60           HD1      TYR  60   4.333  -1.214  -1.658
  447    HD2  TYR  60           HD2      TYR  60   5.531  -3.132   1.994
  448    HE1  TYR  60           HE1      TYR  60   3.108  -3.261  -2.331
  449    HE2  TYR  60           HE2      TYR  60   4.305  -5.179   1.321
  450    HH   TYR  60           HH       TYR  60   2.341  -5.723  -0.213
  451    HA   PRO  61           HA       PRO  61   8.319   3.525  -0.210
  452   1HB   PRO  61          1HB       PRO  61   6.603   5.427   0.785
  453   2HB   PRO  61          2HB       PRO  61   6.762   5.061  -0.942
  454   1HG   PRO  61          2HG       PRO  61   4.565   4.328   0.937
  455   2HG   PRO  61          1HG       PRO  61   4.510   4.562  -0.819
  456   1HD   PRO  61          1HD       PRO  61   4.569   2.068   0.516
  457   2HD   PRO  61          2HD       PRO  61   4.855   2.334  -1.216
  458    H    GLU  62           H        GLU  62   9.512   4.211   1.607
  459    HA   GLU  62           HA       GLU  62   8.630   4.579   4.232
  460   1HB   GLU  62          1HB       GLU  62   8.505   1.823   3.505
  461   2HB   GLU  62          2HB       GLU  62   9.832   2.011   4.652
  462   1HG   GLU  62          1HG       GLU  62   7.374   3.507   5.331
  463   2HG   GLU  62          2HG       GLU  62   7.221   1.751   5.391
  464    H    ASP  63           H        ASP  63  11.237   2.384   3.157
  465    HA   ASP  63           HA       ASP  63  13.196   4.540   3.793
  466   1HB   ASP  63          1HB       ASP  63  12.916   1.868   5.070
  467   2HB   ASP  63          2HB       ASP  63  14.557   2.372   4.665
  468    HA   PRO  64           HA       PRO  64  15.146   3.176   0.109
  469   1HB   PRO  64          1HB       PRO  64  17.742   3.898   0.661
  470   2HB   PRO  64          2HB       PRO  64  16.467   5.059   0.250
  471   1HG   PRO  64          2HG       PRO  64  17.696   4.482   2.907
  472   2HG   PRO  64          1HG       PRO  64  16.942   5.974   2.320
  473   1HD   PRO  64          1HD       PRO  64  15.739   4.084   4.047
  474   2HD   PRO  64          2HD       PRO  64  14.897   5.385   3.178
  475    H    ALA  65           H        ALA  65  17.015   2.309   3.043
  476    HA   ALA  65           HA       ALA  65  17.025  -0.501   2.317
  477   1HB   ALA  65          1HB       ALA  65  19.553   1.130   1.970
  478   2HB   ALA  65          3HB       ALA  65  18.747   0.130   0.762
  479   3HB   ALA  65          2HB       ALA  65  19.554  -0.626   2.135
  480    H    VAL  66           H        VAL  66  19.846   0.845   3.875
  481    HA   VAL  66           HA       VAL  66  20.535   0.798   6.108
  482    HB   VAL  66           HB       VAL  66  17.565   0.818   6.698
  483   1HG1  VAL  66          1HG1      VAL  66  19.319   0.233   8.517
  484   2HG1  VAL  66          2HG1      VAL  66  19.793   1.928   8.399
  485   3HG1  VAL  66          3HG1      VAL  66  18.151   1.503   8.880
  486   1HG2  VAL  66          1HG2      VAL  66  19.398   2.841   5.633
  487   2HG2  VAL  66          2HG2      VAL  66  17.636   2.861   5.715
  488   3HG2  VAL  66          3HG2      VAL  66  18.589   3.365   7.111
  489    H    TYR  67           H        TYR  67  21.206  -0.890   7.308
  490    HA   TYR  67           HA       TYR  67  19.511  -3.147   7.977
  491   1HB   TYR  67          1HB       TYR  67  21.208  -3.252   5.562
  492   2HB   TYR  67          2HB       TYR  67  21.399  -4.624   6.653
  493    HD1  TYR  67           HD1      TYR  67  18.831  -5.088   7.813
  494    HD2  TYR  67           HD2      TYR  67  19.763  -3.819   3.816
  495    HE1  TYR  67           HE1      TYR  67  16.675  -6.019   7.014
  496    HE2  TYR  67           HE2      TYR  67  17.608  -4.752   3.018
  497    HH   TYR  67           HH       TYR  67  15.561  -6.690   5.100
  498    H    LYS  68           H        LYS  68  21.517  -5.069   8.434
  499    HA   LYS  68           HA       LYS  68  23.828  -3.912   9.705
  500   1HB   LYS  68          1HB       LYS  68  22.692  -3.155  11.540
  501   2HB   LYS  68          2HB       LYS  68  21.355  -4.274  11.315
  502   1HG   LYS  68          1HG       LYS  68  22.553  -4.877  13.349
  503   2HG   LYS  68          2HG       LYS  68  22.846  -6.124  12.135
  504   1HD   LYS  68          1HD       LYS  68  24.969  -4.890  11.519
  505   2HD   LYS  68          2HD       LYS  68  24.703  -3.870  12.933
  506   1HE   LYS  68          2HE       LYS  68  25.905  -5.457  14.032
  507   2HE   LYS  68          1HE       LYS  68  24.398  -6.371  14.008
  508   1HZ   LYS  68          1HZ       LYS  68  26.325  -6.494  11.772
  509   2HZ   LYS  68          2HZ       LYS  68  26.464  -7.514  13.123
  510   3HZ   LYS  68          3HZ       LYS  68  25.074  -7.578  12.149
  511    HA   PRO  69           HA       PRO  69  23.757  -8.588  10.586
  512   1HB   PRO  69          1HB       PRO  69  21.401  -9.966  10.260
  513   2HB   PRO  69          2HB       PRO  69  21.889  -9.208  11.786
  514   1HG   PRO  69          2HG       PRO  69  19.840  -8.309   9.813
  515   2HG   PRO  69          1HG       PRO  69  19.926  -8.010  11.556
  516   1HD   PRO  69          1HD       PRO  69  20.630  -6.171   9.535
  517   2HD   PRO  69          2HD       PRO  69  21.035  -6.037  11.257
  518    H    LEU  70           H        LEU  70  24.538  -7.741   8.235
  519    HA   LEU  70           HA       LEU  70  24.529  -9.826   6.419
  520   1HB   LEU  70          1HB       LEU  70  22.913  -8.990   4.657
  521   2HB   LEU  70          2HB       LEU  70  22.136  -9.646   6.095
  522    HG   LEU  70           HG       LEU  70  22.476  -7.005   6.786
  523   1HD1  LEU  70          1HD1      LEU  70  22.208  -7.264   3.812
  524   2HD1  LEU  70          2HD1      LEU  70  21.364  -5.948   4.627
  525   3HD1  LEU  70          3HD1      LEU  70  23.118  -6.082   4.752
  526   1HD2  LEU  70          1HD2      LEU  70  20.114  -8.262   5.350
  527   2HD2  LEU  70          2HD2      LEU  70  20.439  -8.374   7.079
  528   3HD2  LEU  70          3HD2      LEU  70  20.050  -6.815   6.354
  529    H    SER  71           H        SER  71  26.016  -9.314   4.813
  530    HA   SER  71           HA       SER  71  26.607  -6.406   4.443
  531   1HB   SER  71          1HB       SER  71  28.727  -8.542   4.294
  532   2HB   SER  71          2HB       SER  71  28.928  -6.809   4.530
  533    HG   SER  71           HG       SER  71  28.345  -8.810   6.340
  534    H    GLN  72           H        GLN  72  24.890  -7.345   2.665
  535    HA   GLN  72           HA       GLN  72  24.537  -7.786   0.386
  536   1HB   GLN  72          1HB       GLN  72  26.385  -5.829   0.543
  537   2HB   GLN  72          2HB       GLN  72  27.345  -7.060  -0.280
  538   1HG   GLN  72          1HG       GLN  72  24.846  -7.129  -1.552
  539   2HG   GLN  72          2HG       GLN  72  25.198  -5.414  -1.330
  540   2HE2  GLN  72          2HE2      GLN  72  25.260  -6.148  -3.936
  541   1HE2  GLN  72          1HE2      GLN  72  26.848  -6.332  -4.506
  542    H    GLU  73           H        GLU  73  26.680  -8.567  -1.495
  543    HA   GLU  73           HA       GLU  73  27.582 -10.573  -2.310
  544   1HB   GLU  73          1HB       GLU  73  28.883 -10.007   0.008
  545   2HB   GLU  73          2HB       GLU  73  28.198 -11.582   0.410
  546   1HG   GLU  73          1HG       GLU  73  29.116 -12.385  -1.846
  547   2HG   GLU  73          2HG       GLU  73  30.046 -10.886  -1.878
  548    H    GLU  74           H        GLU  74  25.964 -11.878  -3.069
  549    HA   GLU  74           HA       GLU  74  24.237 -13.295  -1.102
  550   1HB   GLU  74          2HB       GLU  74  22.783 -13.778  -3.009
  551   2HB   GLU  74          1HB       GLU  74  23.150 -12.053  -2.975
  552   1HG   GLU  74          1HG       GLU  74  25.084 -12.588  -4.571
  553   2HG   GLU  74          2HG       GLU  74  24.331 -14.169  -4.781
  554    H    LEU  75           H        LEU  75  23.547 -15.513  -2.657
  555    HA   LEU  75           HA       LEU  75  26.132 -16.907  -3.164
  556   1HB   LEU  75          1HB       LEU  75  24.674 -17.279  -0.834
  557   2HB   LEU  75          2HB       LEU  75  24.125 -18.601  -1.863
  558    HG   LEU  75           HG       LEU  75  26.957 -18.366  -2.169
  559   1HD1  LEU  75          1HD1      LEU  75  25.920 -18.200   0.653
  560   2HD1  LEU  75          2HD1      LEU  75  27.424 -19.053   0.307
  561   3HD1  LEU  75          3HD1      LEU  75  27.273 -17.339  -0.080
  562   1HD2  LEU  75          1HD2      LEU  75  25.574 -20.401  -2.472
  563   2HD2  LEU  75          2HD2      LEU  75  26.888 -20.681  -1.330
  564   3HD2  LEU  75          3HD2      LEU  75  25.247 -20.426  -0.738
  565    H    GLN  76           H        GLN  76  25.275 -16.449  -5.411
  566    HA   GLN  76           HA       GLN  76  23.478 -18.678  -6.234
  567   1HB   GLN  76          1HB       GLN  76  23.157 -15.744  -6.818
  568   2HB   GLN  76          2HB       GLN  76  22.579 -16.942  -7.978
  569   1HG   GLN  76          1HG       GLN  76  21.809 -17.618  -5.247
  570   2HG   GLN  76          2HG       GLN  76  21.198 -16.035  -5.730
  571   2HE2  GLN  76          2HE2      GLN  76  20.905 -19.484  -6.280
  572   1HE2  GLN  76          1HE2      GLN  76  19.640 -19.393  -7.408
  573    H    ARG  77           H        ARG  77  23.720 -19.192  -8.568
  574    HA   ARG  77           HA       ARG  77  26.536 -18.884  -9.391
  575   1HB   ARG  77          1HB       ARG  77  25.081 -21.055  -9.488
  576   2HB   ARG  77          2HB       ARG  77  24.435 -20.352 -10.970
  577   1HG   ARG  77          1HG       ARG  77  26.863 -20.037 -11.711
  578   2HG   ARG  77          2HG       ARG  77  27.303 -21.087 -10.363
  579   1HD   ARG  77          1HD       ARG  77  25.468 -22.678 -11.367
  580   2HD   ARG  77          2HD       ARG  77  25.738 -21.746 -12.840
  581    HE   ARG  77           HE       ARG  77  27.750 -23.477 -11.505
  582   1HH1  ARG  77          1HH1      ARG  77  27.702 -20.726 -13.406
  583   2HH1  ARG  77          2HH1      ARG  77  28.608 -21.397 -14.720
  584   1HH2  ARG  77          1HH2      ARG  77  28.526 -24.631 -13.472
  585   2HH2  ARG  77          2HH2      ARG  77  29.075 -23.608 -14.758
  586    H    ILE  78           H        ILE  78  27.083 -17.160 -10.636
  587    HA   ILE  78           HA       ILE  78  24.991 -15.829 -12.262
  588    HB   ILE  78           HB       ILE  78  26.909 -14.158 -12.655
  589   1HG1  ILE  78          1HG1      ILE  78  28.148 -15.427 -10.229
  590   2HG1  ILE  78          2HG1      ILE  78  28.561 -16.042 -11.830
  591   1HG2  ILE  78          1HG2      ILE  78  24.999 -14.247 -10.778
  592   2HG2  ILE  78          2HG2      ILE  78  26.405 -14.383  -9.722
  593   3HG2  ILE  78          3HG2      ILE  78  26.234 -12.988 -10.787
  594   1HD1  ILE  78          1HD1      ILE  78  29.073 -13.640 -12.494
  595   2HD1  ILE  78          2HD1      ILE  78  28.931 -13.225 -10.785
  596   3HD1  ILE  78          3HD1      ILE  78  30.180 -14.349 -11.319

  No H/Q in entry =         596
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1 -21.168  -9.190 -16.397
    2    H2   MET   1           H2       MET   1 -21.664 -10.759 -16.817
    3    H3   MET   1           H3       MET   1 -21.167  -9.678 -18.024
    4    HA   MET   1           HA       MET   1 -23.065  -8.339 -17.786
    5   1HB   MET   1          1HB       MET   1 -24.914 -10.014 -18.056
    6   2HB   MET   1          2HB       MET   1 -23.506 -10.360 -19.060
    7   1HG   MET   1          1HG       MET   1 -22.991 -12.261 -17.910
    8   2HG   MET   1          2HG       MET   1 -23.445 -11.560 -16.357
    9   1HE   MET   1          1HE       MET   1 -24.539 -12.543 -19.725
   10   2HE   MET   1          2HE       MET   1 -24.651 -14.179 -19.080
   11   3HE   MET   1          3HE       MET   1 -26.114 -13.336 -19.584
   12    H    SER   2           H        SER   2 -22.491 -10.463 -15.067
   13    HA   SER   2           HA       SER   2 -23.248 -10.337 -12.848
   14   1HB   SER   2          1HB       SER   2 -22.710  -7.824 -13.451
   15   2HB   SER   2          2HB       SER   2 -24.462  -7.652 -13.417
   16    HG   SER   2           HG       SER   2 -23.166  -9.015 -11.336
   17    H    ARG   3           H        ARG   3 -24.987 -11.383 -14.994
   18    HA   ARG   3           HA       ARG   3 -27.146 -12.332 -14.973
   19   1HB   ARG   3          1HB       ARG   3 -26.824 -11.716 -12.356
   20   2HB   ARG   3          2HB       ARG   3 -28.137 -10.616 -12.761
   21   1HG   ARG   3          1HG       ARG   3 -28.402 -13.385 -13.793
   22   2HG   ARG   3          2HG       ARG   3 -28.548 -13.192 -12.045
   23   1HD   ARG   3          1HD       ARG   3 -30.184 -11.278 -12.560
   24   2HD   ARG   3          2HD       ARG   3 -30.213 -11.899 -14.210
   25    HE   ARG   3           HE       ARG   3 -31.168 -13.396 -11.811
   26   1HH1  ARG   3          1HH1      ARG   3 -30.233 -15.176 -14.021
   27   2HH1  ARG   3          2HH1      ARG   3 -31.676 -15.394 -14.954
   28   1HH2  ARG   3          1HH2      ARG   3 -33.325 -12.700 -13.525
   29   2HH2  ARG   3          2HH2      ARG   3 -33.427 -13.994 -14.673
   30    H    SER   4           H        SER   4 -27.852  -9.050 -13.718
   31    HA   SER   4           HA       SER   4 -28.304  -7.741 -16.150
   32   1HB   SER   4          1HB       SER   4 -30.061  -8.866 -17.027
   33   2HB   SER   4          2HB       SER   4 -30.369  -9.719 -15.518
   34    HG   SER   4           HG       SER   4 -31.606  -7.559 -16.563
   35    HA   PRO   5           HA       PRO   5 -30.821  -5.535 -12.741
   36   1HB   PRO   5          1HB       PRO   5 -31.380  -6.946 -10.450
   37   2HB   PRO   5          2HB       PRO   5 -32.443  -6.921 -11.867
   38   1HG   PRO   5          2HG       PRO   5 -30.623  -9.092 -10.924
   39   2HG   PRO   5          1HG       PRO   5 -32.122  -9.212 -11.859
   40   1HD   PRO   5          1HD       PRO   5 -29.515  -9.406 -12.915
   41   2HD   PRO   5          2HD       PRO   5 -31.000  -9.142 -13.851
   42    H    ASP   6           H        ASP   6 -29.916  -4.219 -11.075
   43    HA   ASP   6           HA       ASP   6 -27.140  -4.478 -10.543
   44   1HB   ASP   6          1HB       ASP   6 -29.302  -2.693  -9.772
   45   2HB   ASP   6          2HB       ASP   6 -28.201  -2.976  -8.423
   46    H    ALA   7           H        ALA   7 -26.696  -4.214  -7.850
   47    HA   ALA   7           HA       ALA   7 -28.054  -6.393  -6.413
   48   1HB   ALA   7          1HB       ALA   7 -25.192  -6.575  -7.358
   49   2HB   ALA   7          3HB       ALA   7 -26.473  -7.780  -7.501
   50   3HB   ALA   7          2HB       ALA   7 -25.744  -7.449  -5.929
   51    H    LYS   8           H        LYS   8 -24.822  -4.904  -6.077
   52    HA   LYS   8           HA       LYS   8 -25.756  -3.166  -3.914
   53   1HB   LYS   8          1HB       LYS   8 -24.648  -5.804  -3.358
   54   2HB   LYS   8          2HB       LYS   8 -23.689  -4.522  -2.619
   55   1HG   LYS   8          1HG       LYS   8 -25.290  -4.083  -1.091
   56   2HG   LYS   8          2HG       LYS   8 -26.549  -4.037  -2.328
   57   1HD   LYS   8          1HD       LYS   8 -25.626  -6.750  -1.962
   58   2HD   LYS   8          2HD       LYS   8 -26.122  -6.065  -0.413
   59   1HE   LYS   8          1HE       LYS   8 -28.070  -5.208  -2.249
   60   2HE   LYS   8          2HE       LYS   8 -27.770  -6.898  -2.652
   61   1HZ   LYS   8          1HZ       LYS   8 -28.113  -6.087   0.158
   62   2HZ   LYS   8          2HZ       LYS   8 -29.476  -6.324  -0.829
   63   3HZ   LYS   8          3HZ       LYS   8 -28.390  -7.600  -0.562
   64    H    GLU   9           H        GLU   9 -22.962  -4.640  -5.557
   65    HA   GLU   9           HA       GLU   9 -20.982  -3.644  -6.336
   66   1HB   GLU   9          1HB       GLU   9 -23.007  -1.738  -6.701
   67   2HB   GLU   9          2HB       GLU   9 -21.701  -0.860  -5.902
   68   1HG   GLU   9          1HG       GLU   9 -20.195  -1.251  -7.634
   69   2HG   GLU   9          2HG       GLU   9 -21.042  -2.699  -8.179
   70    H    ASP  10           H        ASP  10 -19.319  -3.883  -4.907
   71    HA   ASP  10           HA       ASP  10 -19.321  -2.122  -2.486
   72   1HB   ASP  10          1HB       ASP  10 -18.701  -5.017  -2.839
   73   2HB   ASP  10          2HB       ASP  10 -17.698  -4.112  -1.705
   74    HA   PRO  11           HA       PRO  11 -15.624  -0.933  -4.852
   75   1HB   PRO  11          1HB       PRO  11 -15.764   1.703  -4.090
   76   2HB   PRO  11          2HB       PRO  11 -16.643   1.036  -5.477
   77   1HG   PRO  11          2HG       PRO  11 -17.684   1.819  -2.794
   78   2HG   PRO  11          1HG       PRO  11 -18.527   1.759  -4.351
   79   1HD   PRO  11          1HD       PRO  11 -18.713  -0.174  -2.290
   80   2HD   PRO  11          2HD       PRO  11 -19.275  -0.373  -3.964
   81    H    VAL  12           H        VAL  12 -13.886   0.867  -3.813
   82    HA   VAL  12           HA       VAL  12 -12.055   0.757  -2.321
   83    HB   VAL  12           HB       VAL  12 -13.561   2.520  -1.453
   84   1HG1  VAL  12          1HG1      VAL  12 -15.436   0.899  -0.945
   85   2HG1  VAL  12          2HG1      VAL  12 -14.527   0.409   0.480
   86   3HG1  VAL  12          3HG1      VAL  12 -15.099   2.068   0.326
   87   1HG2  VAL  12          1HG2      VAL  12 -11.368   1.476  -0.277
   88   2HG2  VAL  12          2HG2      VAL  12 -12.257   2.836   0.408
   89   3HG2  VAL  12          3HG2      VAL  12 -12.542   1.204   1.011
   90    H    GLU  13           H        GLU  13 -12.432  -1.821  -2.814
   91    HA   GLU  13           HA       GLU  13 -12.395  -3.077  -0.099
   92   1HB   GLU  13          2HB       GLU  13 -13.507  -5.030  -0.963
   93   2HB   GLU  13          1HB       GLU  13 -14.466  -3.633  -1.455
   94   1HG   GLU  13          1HG       GLU  13 -13.152  -3.659  -3.639
   95   2HG   GLU  13          2HG       GLU  13 -12.533  -5.234  -3.143
   96    H    CYS  14           H        CYS  14 -10.667  -4.459   0.264
   97    HA   CYS  14           HA       CYS  14  -8.303  -4.280  -1.209
   98   1HB   CYS  14          1HB       CYS  14  -8.504  -5.285   1.064
   99   2HB   CYS  14          2HB       CYS  14  -9.227  -6.717   0.340
  100    HA   PRO  15           HA       PRO  15  -9.763  -6.616  -4.775
  101   1HB   PRO  15          1HB       PRO  15  -7.804  -5.674  -6.456
  102   2HB   PRO  15          2HB       PRO  15  -9.294  -4.788  -6.090
  103   1HG   PRO  15          2HG       PRO  15  -6.523  -4.280  -5.117
  104   2HG   PRO  15          1HG       PRO  15  -7.872  -3.148  -5.300
  105   1HD   PRO  15          1HD       PRO  15  -6.990  -4.308  -2.869
  106   2HD   PRO  15          2HD       PRO  15  -8.513  -3.427  -3.119
  107    H    LEU  16           H        LEU  16  -7.381  -7.303  -2.706
  108    HA   LEU  16           HA       LEU  16  -6.045  -9.245  -4.548
  109   1HB   LEU  16          2HB       LEU  16  -4.982  -8.394  -1.852
  110   2HB   LEU  16          1HB       LEU  16  -4.106  -9.148  -3.185
  111    HG   LEU  16           HG       LEU  16  -5.328  -6.728  -4.130
  112   1HD1  LEU  16          1HD1      LEU  16  -4.691  -6.547  -1.406
  113   2HD1  LEU  16          2HD1      LEU  16  -3.329  -5.800  -2.240
  114   3HD1  LEU  16          3HD1      LEU  16  -4.966  -5.205  -2.515
  115   1HD2  LEU  16          1HD2      LEU  16  -2.470  -7.632  -3.667
  116   2HD2  LEU  16          2HD2      LEU  16  -3.386  -7.727  -5.172
  117   3HD2  LEU  16          3HD2      LEU  16  -2.899  -6.155  -4.534
  118    H    CYS  17           H        CYS  17  -7.891  -8.842  -1.610
  119    HA   CYS  17           HA       CYS  17  -8.046 -11.813  -1.419
  120   1HB   CYS  17          1HB       CYS  17  -7.732 -11.828   0.922
  121   2HB   CYS  17          2HB       CYS  17  -6.507 -10.698   0.349
  122    H    MET  18           H        MET  18  -9.667  -9.068  -2.032
  123    HA   MET  18           HA       MET  18 -11.926  -8.505  -2.042
  124   1HB   MET  18          1HB       MET  18 -11.855 -11.169  -2.558
  125   2HB   MET  18          2HB       MET  18 -12.802 -11.168  -1.070
  126   1HG   MET  18          1HG       MET  18 -14.081  -9.181  -2.269
  127   2HG   MET  18          2HG       MET  18 -13.446  -9.943  -3.727
  128   1HE   MET  18          1HE       MET  18 -16.258  -9.407  -2.008
  129   2HE   MET  18          2HE       MET  18 -16.534  -9.869  -3.686
  130   3HE   MET  18          3HE       MET  18 -17.322 -10.768  -2.391
  131    H    GLU  19           H        GLU  19 -12.512  -7.156  -0.428
  132    HA   GLU  19           HA       GLU  19 -13.736  -8.046   1.974
  133   1HB   GLU  19          1HB       GLU  19 -10.877  -8.070   2.079
  134   2HB   GLU  19          2HB       GLU  19 -11.450  -6.755   3.105
  135   1HG   GLU  19          1HG       GLU  19 -12.304  -8.184   4.636
  136   2HG   GLU  19          2HG       GLU  19 -13.047  -9.191   3.394
  137    HA   PRO  20           HA       PRO  20 -14.881  -3.809   1.662
  138   1HB   PRO  20          1HB       PRO  20 -16.258  -3.632   4.034
  139   2HB   PRO  20          2HB       PRO  20 -16.900  -4.422   2.582
  140   1HG   PRO  20          2HG       PRO  20 -15.844  -5.659   5.082
  141   2HG   PRO  20          1HG       PRO  20 -17.022  -6.300   3.924
  142   1HD   PRO  20          1HD       PRO  20 -14.293  -7.038   4.089
  143   2HD   PRO  20          2HD       PRO  20 -15.394  -7.405   2.743
  144    H    LEU  21           H        LEU  21 -13.231  -2.352   1.936
  145    HA   LEU  21           HA       LEU  21 -11.448  -2.281   4.172
  146   1HB   LEU  21          1HB       LEU  21 -12.145  -0.344   1.974
  147   2HB   LEU  21          2HB       LEU  21 -11.061   0.140   3.278
  148    HG   LEU  21           HG       LEU  21 -10.520  -2.485   1.976
  149   1HD1  LEU  21          1HD1      LEU  21 -10.926  -0.209   0.389
  150   2HD1  LEU  21          2HD1      LEU  21  -9.178  -0.313   0.586
  151   3HD1  LEU  21          3HD1      LEU  21 -10.072  -1.678  -0.084
  152   1HD2  LEU  21          1HD2      LEU  21  -8.897  -0.167   3.060
  153   2HD2  LEU  21          2HD2      LEU  21  -9.079  -1.774   3.766
  154   3HD2  LEU  21          3HD2      LEU  21  -8.170  -1.567   2.269
  155    H    GLU  22           H        GLU  22 -11.291  -0.430   5.723
  156    HA   GLU  22           HA       GLU  22 -14.007   0.292   6.707
  157   1HB   GLU  22          1HB       GLU  22 -11.512  -0.443   7.981
  158   2HB   GLU  22          2HB       GLU  22 -12.053   1.131   8.564
  159   1HG   GLU  22          1HG       GLU  22 -14.347  -0.555   8.400
  160   2HG   GLU  22          2HG       GLU  22 -13.083  -1.457   9.235
  161    H    ILE  23           H        ILE  23 -14.271   2.538   7.537
  162    HA   ILE  23           HA       ILE  23 -13.630   4.501   5.619
  163    HB   ILE  23           HB       ILE  23 -14.467   4.638   8.511
  164   1HG1  ILE  23          1HG1      ILE  23 -16.556   5.364   7.584
  165   2HG1  ILE  23          2HG1      ILE  23 -15.833   5.636   5.999
  166   1HG2  ILE  23          1HG2      ILE  23 -13.893   6.979   6.667
  167   2HG2  ILE  23          2HG2      ILE  23 -14.752   7.097   8.203
  168   3HG2  ILE  23          3HG2      ILE  23 -13.058   6.605   8.175
  169   1HD1  ILE  23          1HD1      ILE  23 -16.088   2.940   7.366
  170   2HD1  ILE  23          2HD1      ILE  23 -17.115   3.519   6.056
  171   3HD1  ILE  23          3HD1      ILE  23 -15.400   3.225   5.767
  172    H    ASP  24           H        ASP  24 -11.942   3.678   8.643
  173    HA   ASP  24           HA       ASP  24  -9.942   5.772   8.258
  174   1HB   ASP  24          2HB       ASP  24  -9.528   3.431  10.086
  175   2HB   ASP  24          1HB       ASP  24  -9.092   5.124  10.324
  176    H    ASP  25           H        ASP  25 -10.321   2.502   7.175
  177    HA   ASP  25           HA       ASP  25  -7.410   2.280   6.607
  178   1HB   ASP  25          1HB       ASP  25  -9.654   0.271   6.239
  179   2HB   ASP  25          2HB       ASP  25  -7.944  -0.046   5.950
  180    H    ILE  26           H        ILE  26  -9.824   3.820   5.160
  181    HA   ILE  26           HA       ILE  26  -9.827   2.754   2.485
  182    HB   ILE  26           HB       ILE  26 -10.587   5.403   3.713
  183   1HG1  ILE  26          1HG1      ILE  26 -12.041   3.147   2.308
  184   2HG1  ILE  26          2HG1      ILE  26 -12.193   3.635   3.996
  185   1HG2  ILE  26          1HG2      ILE  26 -10.499   4.702   0.766
  186   2HG2  ILE  26          2HG2      ILE  26 -11.433   6.045   1.424
  187   3HG2  ILE  26          3HG2      ILE  26  -9.676   6.040   1.566
  188   1HD1  ILE  26          1HD1      ILE  26 -12.724   5.963   2.524
  189   2HD1  ILE  26          2HD1      ILE  26 -13.568   4.677   1.662
  190   3HD1  ILE  26          3HD1      ILE  26 -13.903   4.960   3.370
  191    H    ASN  27           H        ASN  27  -7.720   4.985   4.211
  192    HA   ASN  27           HA       ASN  27  -6.202   5.491   1.695
  193   1HB   ASN  27          1HB       ASN  27  -4.960   7.139   3.252
  194   2HB   ASN  27          2HB       ASN  27  -6.616   7.540   2.799
  195   2HD2  ASN  27          2HD2      ASN  27  -5.033   5.517   5.350
  196   1HD2  ASN  27          1HD2      ASN  27  -6.017   6.088   6.610
  197    H    PHE  28           H        PHE  28  -6.052   2.893   2.893
  198    HA   PHE  28           HA       PHE  28  -3.273   2.929   3.998
  199   1HB   PHE  28          1HB       PHE  28  -4.905   1.939   5.546
  200   2HB   PHE  28          2HB       PHE  28  -5.437   0.822   4.288
  201    HD1  PHE  28           HD1      PHE  28  -2.492   1.839   6.334
  202    HD2  PHE  28           HD2      PHE  28  -4.247  -1.187   3.839
  203    HE1  PHE  28           HE1      PHE  28  -0.667   0.276   6.946
  204    HE2  PHE  28           HE2      PHE  28  -2.420  -2.749   4.451
  205    HZ   PHE  28           HZ       PHE  28  -0.632  -2.018   6.004
  206    H    PHE  29           H        PHE  29  -1.967   2.654   2.224
  207    HA   PHE  29           HA       PHE  29  -2.609   0.340   0.441
  208   1HB   PHE  29          1HB       PHE  29  -1.069   1.849  -1.180
  209   2HB   PHE  29          2HB       PHE  29  -2.824   2.010  -1.125
  210    HD1  PHE  29           HD1      PHE  29   0.340   3.364   0.344
  211    HD2  PHE  29           HD2      PHE  29  -3.839   4.014  -0.436
  212    HE1  PHE  29           HE1      PHE  29   0.554   5.713   1.122
  213    HE2  PHE  29           HE2      PHE  29  -3.626   6.355   0.346
  214    HZ   PHE  29           HZ       PHE  29  -1.427   7.207   1.123
  215    HA   PRO  30           HA       PRO  30   1.397  -1.062   1.604
  216   1HB   PRO  30          1HB       PRO  30   1.711  -2.927  -0.395
  217   2HB   PRO  30          2HB       PRO  30   0.671  -3.176   1.018
  218   1HG   PRO  30          2HG       PRO  30  -0.103  -2.561  -1.797
  219   2HG   PRO  30          1HG       PRO  30  -1.017  -3.415  -0.542
  220   1HD   PRO  30          1HD       PRO  30  -1.416  -0.731  -1.338
  221   2HD   PRO  30          2HD       PRO  30  -2.071  -1.493   0.127
  222    H    CYS  31           H        CYS  31   0.644   0.448  -1.388
  223    HA   CYS  31           HA       CYS  31   3.543   0.994  -1.835
  224   1HB   CYS  31          1HB       CYS  31   2.864  -0.630  -3.514
  225   2HB   CYS  31          2HB       CYS  31   1.457   0.347  -3.934
  226    H    THR  32           H        THR  32   3.943   3.079  -2.874
  227    HA   THR  32           HA       THR  32   1.878   5.057  -2.137
  228    HB   THR  32           HB       THR  32   3.686   6.711  -2.692
  229    HG1  THR  32           HG1      THR  32   5.349   4.442  -2.897
  230   1HG2  THR  32          1HG2      THR  32   3.411   5.063  -0.488
  231   2HG2  THR  32          2HG2      THR  32   5.114   4.885  -0.905
  232   3HG2  THR  32          3HG2      THR  32   4.451   6.484  -0.578
  233    H    CYS  33           H        CYS  33   1.265   3.407  -4.452
  234    HA   CYS  33           HA       CYS  33   1.422   5.501  -6.583
  235   1HB   CYS  33          1HB       CYS  33   1.412   3.799  -8.255
  236   2HB   CYS  33          2HB       CYS  33   2.589   3.278  -7.051
  237    H    GLY  34           H        GLY  34  -0.633   3.632  -4.559
  238   1HA   GLY  34          2HA       GLY  34  -2.995   4.395  -6.222
  239   2HA   GLY  34          1HA       GLY  34  -2.944   4.789  -4.503
  240    H    TYR  35           H        TYR  35  -2.142   1.830  -6.388
  241    HA   TYR  35           HA       TYR  35  -4.313   0.245  -5.729
  242   1HB   TYR  35          1HB       TYR  35  -2.006  -0.309  -6.962
  243   2HB   TYR  35          2HB       TYR  35  -1.638  -1.042  -5.399
  244    HD1  TYR  35           HD1      TYR  35  -4.832  -0.727  -7.330
  245    HD2  TYR  35           HD2      TYR  35  -1.933  -3.369  -5.575
  246    HE1  TYR  35           HE1      TYR  35  -6.254  -2.672  -7.912
  247    HE2  TYR  35           HE2      TYR  35  -3.356  -5.314  -6.158
  248    HH   TYR  35           HH       TYR  35  -5.667  -5.314  -8.349
  249    H    GLN  36           H        GLN  36  -5.181   0.622  -3.683
  250    HA   GLN  36           HA       GLN  36  -3.455   0.273  -1.312
  251   1HB   GLN  36          2HB       GLN  36  -6.423   0.619  -1.113
  252   2HB   GLN  36          1HB       GLN  36  -5.148   1.278  -0.088
  253   1HG   GLN  36          1HG       GLN  36  -4.466   2.775  -1.969
  254   2HG   GLN  36          2HG       GLN  36  -5.837   2.175  -2.901
  255   2HE2  GLN  36          2HE2      GLN  36  -8.017   2.751  -2.150
  256   1HE2  GLN  36          1HE2      GLN  36  -8.252   4.034  -1.062
  257    H    ILE  37           H        ILE  37  -4.517  -1.125   0.497
  258    HA   ILE  37           HA       ILE  37  -6.004  -3.449  -0.526
  259    HB   ILE  37           HB       ILE  37  -4.337  -5.075  -0.113
  260   1HG1  ILE  37          1HG1      ILE  37  -2.672  -2.901   1.202
  261   2HG1  ILE  37          2HG1      ILE  37  -3.612  -4.110   2.076
  262   1HG2  ILE  37          1HG2      ILE  37  -3.914  -3.723  -2.154
  263   2HG2  ILE  37          2HG2      ILE  37  -2.881  -2.651  -1.213
  264   3HG2  ILE  37          3HG2      ILE  37  -2.415  -4.333  -1.454
  265   1HD1  ILE  37          1HD1      ILE  37  -1.994  -5.431   0.102
  266   2HD1  ILE  37          2HD1      ILE  37  -0.971  -4.370   1.072
  267   3HD1  ILE  37          3HD1      ILE  37  -1.952  -5.608   1.856
  268    H    CYS  38           H        CYS  38  -5.849  -5.144   1.584
  269    HA   CYS  38           HA       CYS  38  -7.005  -3.502   3.747
  270   1HB   CYS  38          2HB       CYS  38  -7.954  -5.523   4.585
  271   2HB   CYS  38          1HB       CYS  38  -8.102  -5.624   2.834
  272    H    ARG  39           H        ARG  39  -6.411  -4.424   6.070
  273    HA   ARG  39           HA       ARG  39  -3.558  -3.970   6.370
  274   1HB   ARG  39          1HB       ARG  39  -5.894  -4.319   8.162
  275   2HB   ARG  39          2HB       ARG  39  -4.330  -4.775   8.837
  276   1HG   ARG  39          1HG       ARG  39  -4.686  -2.157   7.385
  277   2HG   ARG  39          2HG       ARG  39  -5.085  -2.306   9.096
  278   1HD   ARG  39          1HD       ARG  39  -2.413  -3.181   7.987
  279   2HD   ARG  39          2HD       ARG  39  -2.702  -1.537   8.556
  280    HE   ARG  39           HE       ARG  39  -3.559  -3.238  10.625
  281   1HH1  ARG  39          1HH1      ARG  39  -1.009  -4.506   9.208
  282   2HH1  ARG  39          2HH1      ARG  39   0.198  -4.028  10.355
  283   1HH2  ARG  39          1HH2      ARG  39  -1.867  -1.758  11.974
  284   2HH2  ARG  39          2HH2      ARG  39  -0.289  -2.470  11.923
  285    H    PHE  40           H        PHE  40  -5.555  -6.811   6.115
  286    HA   PHE  40           HA       PHE  40  -3.608  -8.589   7.375
  287   1HB   PHE  40          1HB       PHE  40  -5.920  -9.260   7.440
  288   2HB   PHE  40          2HB       PHE  40  -6.072  -9.098   5.691
  289    HD1  PHE  40           HD1      PHE  40  -5.051 -10.735   4.172
  290    HD2  PHE  40           HD2      PHE  40  -4.768 -11.167   8.437
  291    HE1  PHE  40           HE1      PHE  40  -4.319 -13.087   3.885
  292    HE2  PHE  40           HE2      PHE  40  -4.035 -13.519   8.149
  293    HZ   PHE  40           HZ       PHE  40  -3.811 -14.479   5.873
  294    H    CYS  41           H        CYS  41  -4.048  -7.247   4.217
  295    HA   CYS  41           HA       CYS  41  -2.402  -9.339   2.933
  296   1HB   CYS  41          1HB       CYS  41  -3.935  -6.940   1.958
  297   2HB   CYS  41          2HB       CYS  41  -2.701  -7.672   0.934
  298    H    TRP  42           H        TRP  42  -1.988  -6.313   4.494
  299    HA   TRP  42           HA       TRP  42   0.499  -5.680   3.043
  300   1HB   TRP  42          1HB       TRP  42  -0.889  -3.803   3.643
  301   2HB   TRP  42          2HB       TRP  42  -0.944  -4.319   5.328
  302    HD1  TRP  42           HD1      TRP  42   1.612  -3.115   2.699
  303    HE1  TRP  42           HE1      TRP  42   3.534  -1.919   3.934
  304    HE3  TRP  42           HE3      TRP  42   0.189  -3.923   7.536
  305    HZ2  TRP  42           HZ2      TRP  42   4.357  -1.376   6.621
  306    HZ3  TRP  42           HZ3      TRP  42   1.558  -3.058   9.411
  307    HH2  TRP  42           HH2      TRP  42   3.638  -1.787   8.960
  308    H    HIS  43           H        HIS  43  -0.328  -6.196   6.509
  309    HA   HIS  43           HA       HIS  43   2.433  -6.492   7.261
  310   1HB   HIS  43          2HB       HIS  43   1.637  -7.064   9.426
  311   2HB   HIS  43          1HB       HIS  43   0.460  -5.917   8.789
  312    HD1  HIS  43           HD1      HIS  43   0.917  -9.720   8.770
  313    HD2  HIS  43           HD2      HIS  43  -2.106  -6.864   9.072
  314    HE1  HIS  43           HE1      HIS  43  -1.242 -10.996   9.115
  315    H    ARG  44           H        ARG  44   0.462  -8.548   5.488
  316    HA   ARG  44           HA       ARG  44   1.868 -10.982   6.485
  317   1HB   ARG  44          1HB       ARG  44  -0.749 -10.734   6.008
  318   2HB   ARG  44          2HB       ARG  44  -0.235 -11.132   4.368
  319   1HG   ARG  44          1HG       ARG  44   0.838 -12.779   6.625
  320   2HG   ARG  44          2HG       ARG  44  -0.828 -13.049   6.111
  321   1HD   ARG  44          1HD       ARG  44   1.214 -12.850   3.955
  322   2HD   ARG  44          2HD       ARG  44   1.259 -14.302   4.956
  323    HE   ARG  44           HE       ARG  44  -1.338 -14.309   4.348
  324   1HH1  ARG  44          1HH1      ARG  44  -1.720 -12.641   2.211
  325   2HH1  ARG  44          2HH1      ARG  44  -1.114 -13.455   0.807
  326   1HH2  ARG  44          1HH2      ARG  44   0.777 -15.728   2.615
  327   2HH2  ARG  44          2HH2      ARG  44   0.297 -15.202   1.036
  328    H    ILE  45           H        ILE  45   1.321  -9.026   3.583
  329    HA   ILE  45           HA       ILE  45   2.894 -10.764   1.862
  330    HB   ILE  45           HB       ILE  45   1.787  -7.966   1.601
  331   1HG1  ILE  45          1HG1      ILE  45   1.300 -10.573   0.124
  332   2HG1  ILE  45          2HG1      ILE  45   0.242  -9.872   1.349
  333   1HG2  ILE  45          1HG2      ILE  45   3.727  -9.422  -0.192
  334   2HG2  ILE  45          2HG2      ILE  45   2.581  -8.258  -0.858
  335   3HG2  ILE  45          3HG2      ILE  45   3.768  -7.741   0.341
  336   1HD1  ILE  45          1HD1      ILE  45   1.016  -8.365  -1.154
  337   2HD1  ILE  45          2HD1      ILE  45  -0.396  -9.420  -1.092
  338   3HD1  ILE  45          3HD1      ILE  45  -0.299  -8.012  -0.035
  339    H    ARG  46           H        ARG  46   3.535  -7.914   3.844
  340    HA   ARG  46           HA       ARG  46   6.312  -7.757   2.849
  341   1HB   ARG  46          2HB       ARG  46   6.488  -5.742   4.118
  342   2HB   ARG  46          1HB       ARG  46   4.867  -5.718   3.424
  343   1HG   ARG  46          1HG       ARG  46   4.069  -6.801   5.598
  344   2HG   ARG  46          2HG       ARG  46   5.660  -6.420   6.257
  345   1HD   ARG  46          1HD       ARG  46   4.105  -4.254   4.888
  346   2HD   ARG  46          2HD       ARG  46   3.666  -4.708   6.535
  347    HE   ARG  46           HE       ARG  46   6.301  -3.582   5.714
  348   1HH1  ARG  46          1HH1      ARG  46   4.941  -5.406   8.179
  349   2HH1  ARG  46          2HH1      ARG  46   5.370  -4.321   9.459
  350   1HH2  ARG  46          1HH2      ARG  46   6.463  -1.815   7.329
  351   2HH2  ARG  46          2HH2      ARG  46   6.231  -2.291   8.979
  352    H    THR  47           H        THR  47   5.037  -9.998   4.606
  353    HA   THR  47           HA       THR  47   7.161  -9.933   6.715
  354    HB   THR  47           HB       THR  47   4.369 -11.108   6.805
  355    HG1  THR  47           HG1      THR  47   4.570  -9.705   8.811
  356   1HG2  THR  47          1HG2      THR  47   6.788 -11.562   8.531
  357   2HG2  THR  47          2HG2      THR  47   5.175 -11.620   9.242
  358   3HG2  THR  47          3HG2      THR  47   5.607 -12.733   7.944
  359    H    ASP  48           H        ASP  48   5.201 -12.102   4.652
  360    HA   ASP  48           HA       ASP  48   7.525 -13.988   4.687
  361   1HB   ASP  48          2HB       ASP  48   5.941 -15.846   4.518
  362   2HB   ASP  48          1HB       ASP  48   5.566 -14.875   5.943
  363    H    GLU  49           H        GLU  49   6.026 -11.817   2.798
  364    HA   GLU  49           HA       GLU  49   6.257 -13.508   0.340
  365   1HB   GLU  49          1HB       GLU  49   4.071 -12.117   1.087
  366   2HB   GLU  49          2HB       GLU  49   4.929 -10.847   0.215
  367   1HG   GLU  49          2HG       GLU  49   3.640 -11.897  -1.461
  368   2HG   GLU  49          1HG       GLU  49   5.237 -12.623  -1.649
  369    H    ASN  50           H        ASN  50   6.246 -11.020  -1.298
  370    HA   ASN  50           HA       ASN  50   9.134 -10.405  -0.998
  371   1HB   ASN  50          1HB       ASN  50   7.338 -10.725  -3.222
  372   2HB   ASN  50          2HB       ASN  50   8.037  -9.106  -3.274
  373   2HD2  ASN  50          2HD2      ASN  50  10.429  -8.946  -3.355
  374   1HD2  ASN  50          1HD2      ASN  50  11.356 -10.265  -3.885
  375    H    GLY  51           H        GLY  51   5.960  -8.873  -0.933
  376   1HA   GLY  51          2HA       GLY  51   7.117  -6.562   0.456
  377   2HA   GLY  51          1HA       GLY  51   5.401  -6.841   0.163
  378    H    LEU  52           H        LEU  52   6.083  -7.359  -2.767
  379    HA   LEU  52           HA       LEU  52   6.864  -4.622  -3.618
  380   1HB   LEU  52          1HB       LEU  52   6.585  -7.269  -5.040
  381   2HB   LEU  52          2HB       LEU  52   6.662  -5.760  -5.949
  382    HG   LEU  52           HG       LEU  52   8.743  -6.850  -4.037
  383   1HD1  LEU  52          1HD1      LEU  52   8.641  -7.727  -6.407
  384   2HD1  LEU  52          2HD1      LEU  52   8.945  -6.081  -6.962
  385   3HD1  LEU  52          3HD1      LEU  52  10.155  -6.923  -5.994
  386   1HD2  LEU  52          1HD2      LEU  52   8.195  -4.107  -5.027
  387   2HD2  LEU  52          2HD2      LEU  52   9.072  -4.630  -3.588
  388   3HD2  LEU  52          3HD2      LEU  52   9.871  -4.642  -5.161
  389    H    CYS  53           H        CYS  53   5.530  -3.803  -5.583
  390    HA   CYS  53           HA       CYS  53   2.695  -3.823  -4.767
  391   1HB   CYS  53          1HB       CYS  53   4.003  -1.709  -5.339
  392   2HB   CYS  53          2HB       CYS  53   3.957  -2.248  -7.018
  393    HA   PRO  54           HA       PRO  54   1.933  -6.788  -8.021
  394   1HB   PRO  54          1HB       PRO  54  -0.739  -7.099  -7.452
  395   2HB   PRO  54          2HB       PRO  54   0.555  -7.901  -6.543
  396   1HG   PRO  54          2HG       PRO  54  -1.137  -5.577  -5.748
  397   2HG   PRO  54          1HG       PRO  54  -0.324  -6.775  -4.726
  398   1HD   PRO  54          1HD       PRO  54   0.575  -4.138  -5.228
  399   2HD   PRO  54          2HD       PRO  54   1.529  -5.444  -4.491
  400    H    ALA  55           H        ALA  55   1.097  -3.595  -7.860
  401    HA   ALA  55           HA       ALA  55  -0.571  -3.744 -10.340
  402   1HB   ALA  55          1HB       ALA  55  -1.350  -2.572  -8.065
  403   2HB   ALA  55          3HB       ALA  55  -1.773  -1.904  -9.641
  404   3HB   ALA  55          2HB       ALA  55  -0.418  -1.232  -8.734
  405    H    CYS  56           H        CYS  56   1.912  -1.719  -8.726
  406    HA   CYS  56           HA       CYS  56   2.834  -0.948 -11.457
  407   1HB   CYS  56          1HB       CYS  56   3.495   1.140 -10.628
  408   2HB   CYS  56          2HB       CYS  56   2.022   0.825  -9.715
  409    H    ARG  57           H        ARG  57   3.594  -2.894  -8.840
  410    HA   ARG  57           HA       ARG  57   5.463  -4.320  -8.609
  411   1HB   ARG  57          1HB       ARG  57   5.857  -3.443 -11.134
  412   2HB   ARG  57          2HB       ARG  57   7.243  -2.696 -10.338
  413   1HG   ARG  57          1HG       ARG  57   6.831  -5.457  -9.477
  414   2HG   ARG  57          2HG       ARG  57   7.105  -5.331 -11.216
  415   1HD   ARG  57          1HD       ARG  57   8.951  -3.558 -10.081
  416   2HD   ARG  57          2HD       ARG  57   8.991  -4.974  -9.031
  417    HE   ARG  57           HE       ARG  57   9.106  -5.613 -11.885
  418   1HH1  ARG  57          1HH1      ARG  57  10.462  -6.152  -8.895
  419   2HH1  ARG  57          2HH1      ARG  57  12.096  -6.290  -9.450
  420   1HH2  ARG  57          1HH2      ARG  57  11.376  -5.214 -12.666
  421   2HH2  ARG  57          2HH2      ARG  57  12.614  -5.758 -11.584
  422    H    LYS  58           H        LYS  58   5.994  -0.802  -8.668
  423    HA   LYS  58           HA       LYS  58   8.356  -0.476  -7.306
  424   1HB   LYS  58          1HB       LYS  58   5.760   0.935  -6.613
  425   2HB   LYS  58          2HB       LYS  58   7.377   1.503  -6.201
  426   1HG   LYS  58          1HG       LYS  58   6.477   0.968  -9.043
  427   2HG   LYS  58          2HG       LYS  58   6.404   2.558  -8.282
  428   1HD   LYS  58          1HD       LYS  58   8.912   2.168  -7.730
  429   2HD   LYS  58          2HD       LYS  58   8.834   0.915  -8.970
  430   1HE   LYS  58          1HE       LYS  58   7.610   2.935 -10.289
  431   2HE   LYS  58          2HE       LYS  58   8.687   3.869  -9.250
  432   1HZ   LYS  58          1HZ       LYS  58  10.116   1.694 -10.278
  433   2HZ   LYS  58          2HZ       LYS  58  10.361   3.349 -10.575
  434   3HZ   LYS  58          3HZ       LYS  58   9.325   2.447 -11.574
  435    HA   PRO  59           HA       PRO  59   7.988  -2.584  -3.475
  436   1HB   PRO  59          1HB       PRO  59   9.982  -1.262  -2.118
  437   2HB   PRO  59          2HB       PRO  59  10.286  -2.479  -3.371
  438   1HG   PRO  59          2HG       PRO  59  10.565   0.485  -3.527
  439   2HG   PRO  59          1HG       PRO  59  11.404  -0.771  -4.452
  440   1HD   PRO  59          1HD       PRO  59   9.240   0.805  -5.377
  441   2HD   PRO  59          2HD       PRO  59   9.875  -0.661  -6.154
  442    H    TYR  60           H        TYR  60   6.750  -2.330  -1.639
  443    HA   TYR  60           HA       TYR  60   5.138  -0.143  -1.077
  444   1HB   TYR  60          2HB       TYR  60   6.399  -1.960   1.003
  445   2HB   TYR  60          1HB       TYR  60   4.912  -1.035   1.197
  446    HD1  TYR  60           HD1      TYR  60   4.437  -1.709  -2.006
  447    HD2  TYR  60           HD2      TYR  60   4.884  -3.942   1.637
  448    HE1  TYR  60           HE1      TYR  60   3.142  -3.577  -2.989
  449    HE2  TYR  60           HE2      TYR  60   3.587  -5.810   0.649
  450    HH   TYR  60           HH       TYR  60   1.630  -5.701  -1.602
  451    HA   PRO  61           HA       PRO  61   7.731   2.959   0.657
  452   1HB   PRO  61          1HB       PRO  61   6.000   4.124   2.447
  453   2HB   PRO  61          2HB       PRO  61   5.893   4.351   0.694
  454   1HG   PRO  61          2HG       PRO  61   4.174   2.694   2.479
  455   2HG   PRO  61          1HG       PRO  61   3.779   3.452   0.928
  456   1HD   PRO  61          1HD       PRO  61   4.378   0.719   1.325
  457   2HD   PRO  61          2HD       PRO  61   4.320   1.556  -0.239
  458    H    GLU  62           H        GLU  62   5.713   1.736   3.360
  459    HA   GLU  62           HA       GLU  62   7.861   1.995   5.275
  460   1HB   GLU  62          2HB       GLU  62   5.311   0.360   5.462
  461   2HB   GLU  62          1HB       GLU  62   6.342   0.835   6.813
  462   1HG   GLU  62          1HG       GLU  62   5.210   2.925   4.967
  463   2HG   GLU  62          2HG       GLU  62   4.231   2.278   6.284
  464    H    ASP  63           H        ASP  63   8.087  -0.272   6.686
  465    HA   ASP  63           HA       ASP  63   8.212  -2.771   5.520
  466   1HB   ASP  63          1HB       ASP  63   9.568  -2.421   3.719
  467   2HB   ASP  63          2HB       ASP  63  10.248  -0.944   4.387
  468    HA   PRO  64           HA       PRO  64  11.506  -2.537   8.966
  469   1HB   PRO  64          1HB       PRO  64  12.367  -0.043   9.739
  470   2HB   PRO  64          2HB       PRO  64  13.149  -0.994   8.465
  471   1HG   PRO  64          2HG       PRO  64  11.381   1.394   8.208
  472   2HG   PRO  64          1HG       PRO  64  12.649   0.814   7.115
  473   1HD   PRO  64          1HD       PRO  64   9.866   0.474   6.743
  474   2HD   PRO  64          2HD       PRO  64  11.151  -0.382   5.866
  475    H    ALA  65           H        ALA  65  10.134   0.716   9.517
  476    HA   ALA  65           HA       ALA  65   8.880   1.502  11.353
  477   1HB   ALA  65          1HB       ALA  65   7.271   0.212   9.759
  478   2HB   ALA  65          3HB       ALA  65   7.267  -1.019  11.023
  479   3HB   ALA  65          2HB       ALA  65   6.705   0.614  11.380
  480    H    VAL  66           H        VAL  66  11.074   0.438  12.445
  481    HA   VAL  66           HA       VAL  66  10.068  -1.395  14.586
  482    HB   VAL  66           HB       VAL  66  12.764  -1.557  14.846
  483   1HG1  VAL  66          1HG1      VAL  66  10.742  -3.249  14.220
  484   2HG1  VAL  66          2HG1      VAL  66  11.643  -3.278  12.704
  485   3HG1  VAL  66          3HG1      VAL  66  12.439  -3.729  14.212
  486   1HG2  VAL  66          1HG2      VAL  66  12.923  -0.035  12.774
  487   2HG2  VAL  66          2HG2      VAL  66  13.867  -1.525  12.737
  488   3HG2  VAL  66          3HG2      VAL  66  12.343  -1.425  11.854
  489    H    TYR  67           H        TYR  67  13.073   0.430  14.690
  490    HA   TYR  67           HA       TYR  67  13.828   1.885  16.388
  491   1HB   TYR  67          1HB       TYR  67  11.151   3.232  16.014
  492   2HB   TYR  67          2HB       TYR  67  12.714   3.976  16.351
  493    HD1  TYR  67           HD1      TYR  67  14.564   2.892  14.476
  494    HD2  TYR  67           HD2      TYR  67  10.409   3.808  13.881
  495    HE1  TYR  67           HE1      TYR  67  14.968   3.147  12.042
  496    HE2  TYR  67           HE2      TYR  67  10.813   4.063  11.448
  497    HH   TYR  67           HH       TYR  67  13.731   4.509  10.106
  498    H    LYS  68           H        LYS  68  13.344  -0.077  17.886
  499    HA   LYS  68           HA       LYS  68  10.984   0.121  19.584
  500   1HB   LYS  68          1HB       LYS  68  13.558  -1.460  19.877
  501   2HB   LYS  68          2HB       LYS  68  12.157  -1.629  20.937
  502   1HG   LYS  68          1HG       LYS  68  10.783  -2.429  19.155
  503   2HG   LYS  68          2HG       LYS  68  11.964  -1.952  17.936
  504   1HD   LYS  68          1HD       LYS  68  12.571  -4.151  18.056
  505   2HD   LYS  68          2HD       LYS  68  13.493  -3.599  19.457
  506   1HE   LYS  68          1HE       LYS  68  10.907  -4.028  20.440
  507   2HE   LYS  68          2HE       LYS  68  11.200  -5.387  19.354
  508   1HZ   LYS  68          1HZ       LYS  68  13.080  -4.505  21.473
  509   2HZ   LYS  68          2HZ       LYS  68  11.968  -5.776  21.650
  510   3HZ   LYS  68          3HZ       LYS  68  13.218  -5.889  20.503
  511    HA   PRO  69           HA       PRO  69  12.591   2.968  22.525
  512   1HB   PRO  69          1HB       PRO  69  11.040   2.251  24.675
  513   2HB   PRO  69          2HB       PRO  69  10.426   3.165  23.287
  514   1HG   PRO  69          2HG       PRO  69   9.974   0.307  23.999
  515   2HG   PRO  69          1HG       PRO  69   8.961   1.396  23.037
  516   1HD   PRO  69          1HD       PRO  69  10.697  -0.608  22.022
  517   2HD   PRO  69          2HD       PRO  69   9.902   0.670  21.078
  518    H    LEU  70           H        LEU  70  13.645  -0.064  22.456
  519    HA   LEU  70           HA       LEU  70  15.198   0.255  24.966
  520   1HB   LEU  70          1HB       LEU  70  13.127  -1.699  24.564
  521   2HB   LEU  70          2HB       LEU  70  14.683  -2.522  24.677
  522    HG   LEU  70           HG       LEU  70  13.471  -0.601  26.679
  523   1HD1  LEU  70          1HD1      LEU  70  12.852  -3.093  26.623
  524   2HD1  LEU  70          2HD1      LEU  70  14.523  -3.405  27.096
  525   3HD1  LEU  70          3HD1      LEU  70  13.467  -2.470  28.154
  526   1HD2  LEU  70          1HD2      LEU  70  16.281  -1.334  26.130
  527   2HD2  LEU  70          2HD2      LEU  70  15.631   0.039  27.025
  528   3HD2  LEU  70          3HD2      LEU  70  15.789  -1.531  27.812
  529    H    SER  71           H        SER  71  15.982   0.697  22.241
  530    HA   SER  71           HA       SER  71  18.107  -1.374  22.055
  531   1HB   SER  71          1HB       SER  71  15.941  -0.967  20.149
  532   2HB   SER  71          2HB       SER  71  17.518  -0.745  19.396
  533    HG   SER  71           HG       SER  71  16.500  -2.983  19.660
  534    H    GLN  72           H        GLN  72  20.013  -0.297  22.078
  535    HA   GLN  72           HA       GLN  72  21.591   1.410  21.764
  536   1HB   GLN  72          1HB       GLN  72  19.783   1.866  19.375
  537   2HB   GLN  72          2HB       GLN  72  21.302   2.728  19.621
  538   1HG   GLN  72          1HG       GLN  72  22.585   0.737  19.463
  539   2HG   GLN  72          2HG       GLN  72  21.164  -0.288  19.666
  540   2HE2  GLN  72          2HE2      GLN  72  19.541  -0.238  17.824
  541   1HE2  GLN  72          1HE2      GLN  72  20.105   0.075  16.254
  542    H    GLU  73           H        GLU  73  19.702   2.014  23.688
  543    HA   GLU  73           HA       GLU  73  18.487   4.615  23.152
  544   1HB   GLU  73          1HB       GLU  73  18.383   2.611  25.241
  545   2HB   GLU  73          2HB       GLU  73  18.620   4.213  25.938
  546   1HG   GLU  73          1HG       GLU  73  16.510   3.612  23.851
  547   2HG   GLU  73          2HG       GLU  73  16.196   3.558  25.586
  548    H    GLU  74           H        GLU  74  21.618   3.598  23.846
  549    HA   GLU  74           HA       GLU  74  22.302   6.127  25.264
  550   1HB   GLU  74          1HB       GLU  74  23.896   3.596  24.762
  551   2HB   GLU  74          2HB       GLU  74  24.537   5.026  25.574
  552   1HG   GLU  74          1HG       GLU  74  23.040   4.798  27.400
  553   2HG   GLU  74          2HG       GLU  74  22.009   3.671  26.518
  554    H    LEU  75           H        LEU  75  21.568   6.174  22.459
  555    HA   LEU  75           HA       LEU  75  22.365   7.023  20.418
  556   1HB   LEU  75          1HB       LEU  75  24.267   8.151  22.464
  557   2HB   LEU  75          2HB       LEU  75  24.513   8.470  20.747
  558    HG   LEU  75           HG       LEU  75  21.859   8.949  22.110
  559   1HD1  LEU  75          1HD1      LEU  75  24.201  10.307  22.720
  560   2HD1  LEU  75          2HD1      LEU  75  23.467  11.314  21.472
  561   3HD1  LEU  75          3HD1      LEU  75  22.567  10.932  22.940
  562   1HD2  LEU  75          1HD2      LEU  75  22.907   9.137  19.416
  563   2HD2  LEU  75          2HD2      LEU  75  21.247   9.339  19.975
  564   3HD2  LEU  75          3HD2      LEU  75  22.348  10.715  19.968
  565    H    GLN  76           H        GLN  76  24.375   6.971  18.929
  566    HA   GLN  76           HA       GLN  76  25.425   4.270  18.934
  567   1HB   GLN  76          1HB       GLN  76  25.392   6.562  17.130
  568   2HB   GLN  76          2HB       GLN  76  26.962   5.758  17.135
  569   1HG   GLN  76          1HG       GLN  76  24.328   4.294  16.815
  570   2HG   GLN  76          2HG       GLN  76  25.330   4.813  15.459
  571   2HE2  GLN  76          2HE2      GLN  76  24.657   2.060  16.994
  572   1HE2  GLN  76          1HE2      GLN  76  26.178   1.306  17.009
  573    H    ARG  77           H        ARG  77  27.322   7.298  18.744
  574    HA   ARG  77           HA       ARG  77  29.011   6.368  20.987
  575   1HB   ARG  77          1HB       ARG  77  31.021   7.028  19.348
  576   2HB   ARG  77          2HB       ARG  77  30.385   5.384  19.412
  577   1HG   ARG  77          1HG       ARG  77  28.952   7.212  17.577
  578   2HG   ARG  77          2HG       ARG  77  30.610   6.830  17.111
  579   1HD   ARG  77          1HD       ARG  77  28.791   4.612  17.993
  580   2HD   ARG  77          2HD       ARG  77  28.641   5.249  16.355
  581    HE   ARG  77           HE       ARG  77  31.386   4.745  16.779
  582   1HH1  ARG  77          1HH1      ARG  77  29.095   2.637  17.904
  583   2HH1  ARG  77          2HH1      ARG  77  29.465   1.340  16.816
  584   1HH2  ARG  77          1HH2      ARG  77  31.576   3.252  14.838
  585   2HH2  ARG  77          2HH2      ARG  77  30.870   1.689  15.081
  586    H    ILE  78           H        ILE  78  30.056   8.670  18.557
  587    HA   ILE  78           HA       ILE  78  29.785  10.821  20.599
  588    HB   ILE  78           HB       ILE  78  31.504  10.556  18.120
  589   1HG1  ILE  78          2HG1      ILE  78  33.218  11.055  20.090
  590   2HG1  ILE  78          1HG1      ILE  78  31.913  10.405  21.084
  591   1HG2  ILE  78          1HG2      ILE  78  30.600  12.888  18.461
  592   2HG2  ILE  78          2HG2      ILE  78  31.382  12.896  20.041
  593   3HG2  ILE  78          3HG2      ILE  78  32.356  12.770  18.577
  594   1HD1  ILE  78          1HD1      ILE  78  32.484   8.840  18.650
  595   2HD1  ILE  78          2HD1      ILE  78  33.801   8.870  19.823
  596   3HD1  ILE  78          3HD1      ILE  78  32.205   8.290  20.302

  No H/Q in entry =         596
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1 -21.241  16.378   7.751
    2    H2   MET   1           H2       MET   1 -22.085  17.597   6.927
    3    H3   MET   1           H3       MET   1 -20.454  17.827   7.346
    4    HA   MET   1           HA       MET   1 -21.421  19.017   9.007
    5   1HB   MET   1          1HB       MET   1 -23.589  17.906  10.095
    6   2HB   MET   1          2HB       MET   1 -23.701  18.899   8.641
    7   1HG   MET   1          1HG       MET   1 -24.152  17.109   7.288
    8   2HG   MET   1          2HG       MET   1 -23.115  16.021   8.209
    9   1HE   MET   1          1HE       MET   1 -24.897  14.182   7.834
   10   2HE   MET   1          2HE       MET   1 -24.031  14.133   9.367
   11   3HE   MET   1          3HE       MET   1 -25.767  13.795   9.316
   12    H    SER   2           H        SER   2 -22.744  15.970  10.162
   13    HA   SER   2           HA       SER   2 -21.245  15.964  12.559
   14   1HB   SER   2          1HB       SER   2 -23.305  14.580  12.062
   15   2HB   SER   2          2HB       SER   2 -22.274  13.495  11.136
   16    HG   SER   2           HG       SER   2 -22.359  14.001  13.893
   17    H    ARG   3           H        ARG   3 -20.571  14.348   9.455
   18    HA   ARG   3           HA       ARG   3 -18.527  13.563   8.600
   19   1HB   ARG   3          1HB       ARG   3 -17.734  15.764   9.741
   20   2HB   ARG   3          2HB       ARG   3 -17.135  14.704  11.019
   21   1HG   ARG   3          1HG       ARG   3 -16.266  13.446   8.707
   22   2HG   ARG   3          2HG       ARG   3 -16.069  15.158   8.328
   23   1HD   ARG   3          1HD       ARG   3 -14.753  15.503  10.347
   24   2HD   ARG   3          2HD       ARG   3 -15.038  13.838  10.855
   25    HE   ARG   3           HE       ARG   3 -13.692  13.136   8.850
   26   1HH1  ARG   3          1HH1      ARG   3 -13.111  15.061   7.044
   27   2HH1  ARG   3          2HH1      ARG   3 -11.760  15.967   7.641
   28   1HH2  ARG   3          1HH2      ARG   3 -12.129  14.873  10.910
   29   2HH2  ARG   3          2HH2      ARG   3 -11.205  15.862   9.829
   30    H    SER   4           H        SER   4 -19.805  11.568   9.574
   31    HA   SER   4           HA       SER   4 -17.825  10.060  11.184
   32   1HB   SER   4          1HB       SER   4 -19.495   9.277  12.764
   33   2HB   SER   4          2HB       SER   4 -19.516  11.038  12.768
   34    HG   SER   4           HG       SER   4 -21.506   9.375  12.255
   35    HA   PRO   5           HA       PRO   5 -18.999   6.820   8.465
   36   1HB   PRO   5          1HB       PRO   5 -18.459   4.641  10.052
   37   2HB   PRO   5          2HB       PRO   5 -17.204   5.628   9.281
   38   1HG   PRO   5          2HG       PRO   5 -18.054   5.565  12.143
   39   2HG   PRO   5          1HG       PRO   5 -16.477   5.981  11.449
   40   1HD   PRO   5          1HD       PRO   5 -18.395   7.828  12.381
   41   2HD   PRO   5          2HD       PRO   5 -17.001   8.213  11.350
   42    H    ASP   6           H        ASP   6 -20.647   5.180   8.110
   43    HA   ASP   6           HA       ASP   6 -22.439   4.181  10.058
   44   1HB   ASP   6          1HB       ASP   6 -22.843   6.930   9.624
   45   2HB   ASP   6          2HB       ASP   6 -24.124   6.125   8.716
   46    H    ALA   7           H        ALA   7 -24.777   3.877   8.744
   47    HA   ALA   7           HA       ALA   7 -24.106   2.115   6.579
   48   1HB   ALA   7          1HB       ALA   7 -26.425   1.705   6.397
   49   2HB   ALA   7          2HB       ALA   7 -26.844   3.315   6.979
   50   3HB   ALA   7          3HB       ALA   7 -26.206   2.111   8.099
   51    H    LYS   8           H        LYS   8 -25.860   2.640   4.519
   52    HA   LYS   8           HA       LYS   8 -26.098   3.930   2.570
   53   1HB   LYS   8          1HB       LYS   8 -26.212   5.773   4.759
   54   2HB   LYS   8          2HB       LYS   8 -25.271   6.512   3.464
   55   1HG   LYS   8          1HG       LYS   8 -27.059   6.111   1.866
   56   2HG   LYS   8          2HG       LYS   8 -27.987   5.222   3.075
   57   1HD   LYS   8          1HD       LYS   8 -27.388   7.681   4.288
   58   2HD   LYS   8          2HD       LYS   8 -27.834   8.088   2.630
   59   1HE   LYS   8          1HE       LYS   8 -29.633   6.071   3.580
   60   2HE   LYS   8          2HE       LYS   8 -29.562   7.364   4.777
   61   1HZ   LYS   8          1HZ       LYS   8 -30.037   7.747   1.871
   62   2HZ   LYS   8          2HZ       LYS   8 -31.239   7.781   3.073
   63   3HZ   LYS   8          3HZ       LYS   8 -30.022   8.966   3.050
   64    H    GLU   9           H        GLU   9 -24.670   5.821   1.361
   65    HA   GLU   9           HA       GLU   9 -22.602   6.315   0.368
   66   1HB   GLU   9          1HB       GLU   9 -22.089   6.186   3.115
   67   2HB   GLU   9          2HB       GLU   9 -20.862   5.145   2.390
   68   1HG   GLU   9          1HG       GLU   9 -19.921   6.875   1.158
   69   2HG   GLU   9          2HG       GLU   9 -21.418   7.808   1.134
   70    H    ASP  10           H        ASP  10 -20.469   5.108  -0.290
   71    HA   ASP  10           HA       ASP  10 -20.795   2.167  -0.320
   72   1HB   ASP  10          1HB       ASP  10 -22.028   3.235  -2.317
   73   2HB   ASP  10          2HB       ASP  10 -20.424   3.648  -2.925
   74    HA   PRO  11           HA       PRO  11 -16.417   3.282   0.071
   75   1HB   PRO  11          1HB       PRO  11 -15.798   1.070   1.582
   76   2HB   PRO  11          2HB       PRO  11 -16.443   2.574   2.261
   77   1HG   PRO  11          2HG       PRO  11 -17.824  -0.032   1.824
   78   2HG   PRO  11          1HG       PRO  11 -18.173   1.238   3.009
   79   1HD   PRO  11          1HD       PRO  11 -19.597   0.779   0.608
   80   2HD   PRO  11          2HD       PRO  11 -19.709   2.231   1.626
   81    H    VAL  12           H        VAL  12 -14.470   1.417  -0.045
   82    HA   VAL  12           HA       VAL  12 -15.001   0.042  -2.635
   83    HB   VAL  12           HB       VAL  12 -12.245   0.291  -1.498
   84   1HG1  VAL  12          1HG1      VAL  12 -13.569  -0.165  -4.062
   85   2HG1  VAL  12          2HG1      VAL  12 -12.320   1.076  -4.165
   86   3HG1  VAL  12          3HG1      VAL  12 -11.916  -0.536  -3.575
   87   1HG2  VAL  12          1HG2      VAL  12 -13.852   2.572  -2.687
   88   2HG2  VAL  12          2HG2      VAL  12 -13.127   2.517  -1.081
   89   3HG2  VAL  12          3HG2      VAL  12 -12.098   2.589  -2.512
   90    H    GLU  13           H        GLU  13 -12.884  -1.823  -2.507
   91    HA   GLU  13           HA       GLU  13 -13.220  -3.409  -0.056
   92   1HB   GLU  13          1HB       GLU  13 -14.701  -3.973  -2.548
   93   2HB   GLU  13          2HB       GLU  13 -13.840  -5.358  -1.876
   94   1HG   GLU  13          1HG       GLU  13 -15.182  -5.466  -0.035
   95   2HG   GLU  13          2HG       GLU  13 -15.313  -3.710   0.093
   96    H    CYS  14           H        CYS  14 -11.338  -4.488   0.307
   97    HA   CYS  14           HA       CYS  14  -9.008  -4.201  -1.158
   98   1HB   CYS  14          1HB       CYS  14  -9.456  -5.399   1.131
   99   2HB   CYS  14          2HB       CYS  14  -9.572  -6.853   0.141
  100    HA   PRO  15           HA       PRO  15 -10.236  -6.610  -4.764
  101   1HB   PRO  15          1HB       PRO  15  -8.281  -5.561  -6.388
  102   2HB   PRO  15          2HB       PRO  15  -9.824  -4.750  -6.069
  103   1HG   PRO  15          2HG       PRO  15  -7.113  -4.107  -5.008
  104   2HG   PRO  15          1HG       PRO  15  -8.508  -3.041  -5.242
  105   1HD   PRO  15          1HD       PRO  15  -7.658  -4.145  -2.776
  106   2HD   PRO  15          2HD       PRO  15  -9.218  -3.350  -3.085
  107    H    LEU  16           H        LEU  16  -7.629  -6.807  -2.713
  108    HA   LEU  16           HA       LEU  16  -6.128  -8.773  -4.365
  109   1HB   LEU  16          2HB       LEU  16  -5.469  -7.665  -1.623
  110   2HB   LEU  16          1HB       LEU  16  -4.393  -8.586  -2.676
  111    HG   LEU  16           HG       LEU  16  -5.379  -6.449  -4.237
  112   1HD1  LEU  16          1HD1      LEU  16  -4.443  -5.573  -1.489
  113   2HD1  LEU  16          2HD1      LEU  16  -4.633  -4.502  -2.878
  114   3HD1  LEU  16          3HD1      LEU  16  -6.041  -5.302  -2.182
  115   1HD2  LEU  16          1HD2      LEU  16  -3.145  -7.601  -4.288
  116   2HD2  LEU  16          2HD2      LEU  16  -3.034  -5.841  -4.342
  117   3HD2  LEU  16          3HD2      LEU  16  -2.703  -6.700  -2.838
  118    H    CYS  17           H        CYS  17  -8.235  -8.518  -1.593
  119    HA   CYS  17           HA       CYS  17  -8.229 -11.489  -1.404
  120   1HB   CYS  17          1HB       CYS  17  -8.082 -11.475   0.978
  121   2HB   CYS  17          2HB       CYS  17  -6.808 -10.387   0.430
  122    H    MET  18           H        MET  18  -9.962  -9.026  -2.299
  123    HA   MET  18           HA       MET  18 -12.226  -8.428  -2.255
  124   1HB   MET  18          1HB       MET  18 -12.082 -10.929  -3.092
  125   2HB   MET  18          2HB       MET  18 -12.866 -11.274  -1.549
  126   1HG   MET  18          1HG       MET  18 -14.843 -10.634  -2.408
  127   2HG   MET  18          2HG       MET  18 -14.186  -9.027  -2.720
  128   1HE   MET  18          1HE       MET  18 -12.956  -8.328  -4.324
  129   2HE   MET  18          2HE       MET  18 -12.398  -9.126  -5.793
  130   3HE   MET  18          3HE       MET  18 -13.955  -8.302  -5.784
  131    H    GLU  19           H        GLU  19 -12.135  -7.168  -0.313
  132    HA   GLU  19           HA       GLU  19 -13.683  -8.368   1.900
  133   1HB   GLU  19          1HB       GLU  19 -10.828  -7.533   2.073
  134   2HB   GLU  19          2HB       GLU  19 -11.877  -7.083   3.418
  135   1HG   GLU  19          1HG       GLU  19 -12.654  -9.648   3.096
  136   2HG   GLU  19          2HG       GLU  19 -10.988  -9.778   2.531
  137    HA   PRO  20           HA       PRO  20 -15.357  -4.320   2.075
  138   1HB   PRO  20          1HB       PRO  20 -16.096  -4.205   4.720
  139   2HB   PRO  20          2HB       PRO  20 -16.954  -5.169   3.505
  140   1HG   PRO  20          2HG       PRO  20 -15.123  -6.084   5.672
  141   2HG   PRO  20          1HG       PRO  20 -16.430  -6.963   4.861
  142   1HD   PRO  20          1HD       PRO  20 -13.656  -7.251   4.345
  143   2HD   PRO  20          2HD       PRO  20 -14.981  -7.891   3.350
  144    H    LEU  21           H        LEU  21 -14.085  -2.501   1.977
  145    HA   LEU  21           HA       LEU  21 -11.892  -2.101   3.891
  146   1HB   LEU  21          1HB       LEU  21 -12.890  -0.598   1.468
  147   2HB   LEU  21          2HB       LEU  21 -11.654   0.082   2.528
  148    HG   LEU  21           HG       LEU  21 -11.348  -2.717   1.476
  149   1HD1  LEU  21          1HD1      LEU  21 -11.812  -1.184  -0.459
  150   2HD1  LEU  21          2HD1      LEU  21 -10.431  -0.209   0.040
  151   3HD1  LEU  21          3HD1      LEU  21 -10.190  -1.875  -0.484
  152   1HD2  LEU  21          1HD2      LEU  21  -9.854  -1.845   3.262
  153   2HD2  LEU  21          2HD2      LEU  21  -8.970  -2.183   1.773
  154   3HD2  LEU  21          3HD2      LEU  21  -9.381  -0.521   2.195
  155    H    GLU  22           H        GLU  22 -11.880   0.606   4.338
  156    HA   GLU  22           HA       GLU  22 -14.464   1.595   5.211
  157   1HB   GLU  22          2HB       GLU  22 -14.093   1.493   7.614
  158   2HB   GLU  22          1HB       GLU  22 -13.985  -0.138   6.953
  159   1HG   GLU  22          1HG       GLU  22 -11.481   0.174   6.827
  160   2HG   GLU  22          2HG       GLU  22 -11.689   1.679   7.723
  161    H    ILE  23           H        ILE  23 -13.211   3.126   7.440
  162    HA   ILE  23           HA       ILE  23 -12.034   5.234   5.777
  163    HB   ILE  23           HB       ILE  23 -12.799   5.013   8.691
  164   1HG1  ILE  23          2HG1      ILE  23 -14.169   7.066   7.913
  165   2HG1  ILE  23          1HG1      ILE  23 -13.745   6.562   6.276
  166   1HG2  ILE  23          1HG2      ILE  23 -11.288   7.246   7.304
  167   2HG2  ILE  23          2HG2      ILE  23 -12.126   7.445   8.843
  168   3HG2  ILE  23          3HG2      ILE  23 -10.770   6.323   8.716
  169   1HD1  ILE  23          1HD1      ILE  23 -15.135   4.823   8.337
  170   2HD1  ILE  23          2HD1      ILE  23 -15.922   5.615   6.972
  171   3HD1  ILE  23          3HD1      ILE  23 -14.731   4.345   6.687
  172    H    ASP  24           H        ASP  24 -10.958   3.201   8.512
  173    HA   ASP  24           HA       ASP  24  -8.236   4.255   8.348
  174   1HB   ASP  24          1HB       ASP  24  -9.738   2.892  10.280
  175   2HB   ASP  24          2HB       ASP  24  -8.486   1.747   9.795
  176    H    ASP  25           H        ASP  25  -9.859   2.262   6.316
  177    HA   ASP  25           HA       ASP  25  -7.417   0.610   5.788
  178   1HB   ASP  25          2HB       ASP  25 -10.302  -0.040   5.108
  179   2HB   ASP  25          1HB       ASP  25  -8.905  -1.066   4.781
  180    H    ILE  26           H        ILE  26  -9.771   2.826   4.479
  181    HA   ILE  26           HA       ILE  26  -9.147   2.363   1.690
  182    HB   ILE  26           HB       ILE  26 -10.525   4.561   3.225
  183   1HG1  ILE  26          1HG1      ILE  26 -11.430   2.784   0.942
  184   2HG1  ILE  26          2HG1      ILE  26 -11.665   2.394   2.646
  185   1HG2  ILE  26          1HG2      ILE  26  -9.589   4.602   0.359
  186   2HG2  ILE  26          2HG2      ILE  26 -11.047   5.469   0.844
  187   3HG2  ILE  26          3HG2      ILE  26  -9.492   5.883   1.568
  188   1HD1  ILE  26          1HD1      ILE  26 -12.569   5.049   2.333
  189   2HD1  ILE  26          2HD1      ILE  26 -13.220   4.151   0.962
  190   3HD1  ILE  26          3HD1      ILE  26 -13.555   3.612   2.607
  191    H    ASN  27           H        ASN  27  -7.822   4.442   4.216
  192    HA   ASN  27           HA       ASN  27  -6.006   5.762   2.283
  193   1HB   ASN  27          1HB       ASN  27  -6.278   6.031   5.298
  194   2HB   ASN  27          2HB       ASN  27  -5.226   7.018   4.281
  195   2HD2  ASN  27          2HD2      ASN  27  -6.549   8.922   4.995
  196   1HD2  ASN  27          1HD2      ASN  27  -8.052   9.215   4.261
  197    H    PHE  28           H        PHE  28  -6.003   2.783   3.428
  198    HA   PHE  28           HA       PHE  28  -3.417   2.538   4.700
  199   1HB   PHE  28          1HB       PHE  28  -5.344   0.809   4.658
  200   2HB   PHE  28          2HB       PHE  28  -4.754   0.383   3.050
  201    HD1  PHE  28           HD1      PHE  28  -2.010   0.241   3.010
  202    HD2  PHE  28           HD2      PHE  28  -4.556  -0.533   6.383
  203    HE1  PHE  28           HE1      PHE  28  -0.234  -1.156   4.030
  204    HE2  PHE  28           HE2      PHE  28  -2.779  -1.928   7.403
  205    HZ   PHE  28           HZ       PHE  28  -0.619  -2.242   6.226
  206    H    PHE  29           H        PHE  29  -1.452   2.768   3.675
  207    HA   PHE  29           HA       PHE  29  -1.497   2.524   0.700
  208   1HB   PHE  29          1HB       PHE  29  -0.440   4.590   2.477
  209   2HB   PHE  29          2HB       PHE  29   0.725   4.044   1.267
  210    HD1  PHE  29           HD1      PHE  29  -2.760   5.247   1.721
  211    HD2  PHE  29           HD2      PHE  29   0.500   4.636  -1.018
  212    HE1  PHE  29           HE1      PHE  29  -4.011   6.491  -0.012
  213    HE2  PHE  29           HE2      PHE  29  -0.750   5.899  -2.766
  214    HZ   PHE  29           HZ       PHE  29  -3.001   6.823  -2.264
  215    HA   PRO  30           HA       PRO  30   1.520  -0.650   1.784
  216   1HB   PRO  30          1HB       PRO  30   0.930  -2.199  -0.409
  217   2HB   PRO  30          2HB       PRO  30   0.022  -2.292   1.110
  218   1HG   PRO  30          2HG       PRO  30  -0.777  -1.050  -1.481
  219   2HG   PRO  30          1HG       PRO  30  -1.798  -1.714  -0.195
  220   1HD   PRO  30          1HD       PRO  30  -1.286   1.034  -0.657
  221   2HD   PRO  30          2HD       PRO  30  -2.032   0.338   0.798
  222    H    CYS  31           H        CYS  31   0.721   0.547  -1.482
  223    HA   CYS  31           HA       CYS  31   3.647   0.813  -2.019
  224   1HB   CYS  31          1HB       CYS  31   2.632  -0.782  -3.540
  225   2HB   CYS  31          2HB       CYS  31   1.344   0.357  -3.928
  226    H    THR  32           H        THR  32   4.244   2.711  -3.350
  227    HA   THR  32           HA       THR  32   2.658   5.057  -2.538
  228    HB   THR  32           HB       THR  32   4.978   5.589  -4.229
  229    HG1  THR  32           HG1      THR  32   6.250   4.166  -3.398
  230   1HG2  THR  32          1HG2      THR  32   3.816   6.397  -1.614
  231   2HG2  THR  32          2HG2      THR  32   5.552   6.633  -1.818
  232   3HG2  THR  32          3HG2      THR  32   4.421   7.398  -2.934
  233    H    CYS  33           H        CYS  33   1.941   3.079  -4.866
  234    HA   CYS  33           HA       CYS  33   1.822   5.122  -7.033
  235   1HB   CYS  33          1HB       CYS  33   1.500   3.368  -8.587
  236   2HB   CYS  33          2HB       CYS  33   2.699   2.733  -7.465
  237    H    GLY  34           H        GLY  34  -0.054   3.745  -4.574
  238   1HA   GLY  34          2HA       GLY  34  -2.549   4.685  -5.934
  239   2HA   GLY  34          1HA       GLY  34  -2.234   4.947  -4.218
  240    H    TYR  35           H        TYR  35  -1.736   2.002  -6.184
  241    HA   TYR  35           HA       TYR  35  -4.004   0.539  -5.533
  242   1HB   TYR  35          1HB       TYR  35  -1.719  -0.107  -6.784
  243   2HB   TYR  35          2HB       TYR  35  -1.402  -0.893  -5.238
  244    HD1  TYR  35           HD1      TYR  35  -4.529  -0.384  -7.247
  245    HD2  TYR  35           HD2      TYR  35  -1.839  -3.185  -5.409
  246    HE1  TYR  35           HE1      TYR  35  -6.029  -2.249  -7.895
  247    HE2  TYR  35           HE2      TYR  35  -3.340  -5.050  -6.057
  248    HH   TYR  35           HH       TYR  35  -6.523  -4.514  -7.264
  249    H    GLN  36           H        GLN  36  -4.933   0.430  -3.538
  250    HA   GLN  36           HA       GLN  36  -3.151   0.255  -1.158
  251   1HB   GLN  36          2HB       GLN  36  -6.112   0.622  -0.932
  252   2HB   GLN  36          1HB       GLN  36  -4.823   1.277   0.077
  253   1HG   GLN  36          1HG       GLN  36  -4.238   2.914  -1.567
  254   2HG   GLN  36          2HG       GLN  36  -5.242   2.137  -2.793
  255   2HE2  GLN  36          2HE2      GLN  36  -5.255   4.821  -0.925
  256   1HE2  GLN  36          1HE2      GLN  36  -6.920   4.990  -0.639
  257    H    ILE  37           H        ILE  37  -3.705  -1.274   0.535
  258    HA   ILE  37           HA       ILE  37  -5.380  -3.570  -0.371
  259    HB   ILE  37           HB       ILE  37  -3.721  -5.146   0.440
  260   1HG1  ILE  37          1HG1      ILE  37  -2.296  -2.634   1.346
  261   2HG1  ILE  37          2HG1      ILE  37  -2.779  -4.018   2.323
  262   1HG2  ILE  37          1HG2      ILE  37  -3.431  -3.568  -1.802
  263   2HG2  ILE  37          2HG2      ILE  37  -1.854  -3.410  -1.029
  264   3HG2  ILE  37          3HG2      ILE  37  -2.473  -5.007  -1.451
  265   1HD1  ILE  37          1HD1      ILE  37  -1.194  -5.430   0.948
  266   2HD1  ILE  37          2HD1      ILE  37  -0.611  -3.939   0.209
  267   3HD1  ILE  37          3HD1      ILE  37  -0.403  -4.205   1.939
  268    H    CYS  38           H        CYS  38  -5.647  -5.098   1.704
  269    HA   CYS  38           HA       CYS  38  -6.652  -3.303   3.822
  270   1HB   CYS  38          2HB       CYS  38  -7.937  -5.162   4.592
  271   2HB   CYS  38          1HB       CYS  38  -8.018  -5.224   2.833
  272    H    ARG  39           H        ARG  39  -6.457  -5.160   5.992
  273    HA   ARG  39           HA       ARG  39  -3.634  -4.707   6.697
  274   1HB   ARG  39          1HB       ARG  39  -5.954  -5.835   8.294
  275   2HB   ARG  39          2HB       ARG  39  -4.347  -5.508   8.945
  276   1HG   ARG  39          1HG       ARG  39  -5.615  -3.270   7.471
  277   2HG   ARG  39          2HG       ARG  39  -6.369  -3.701   9.006
  278   1HD   ARG  39          1HD       ARG  39  -3.385  -3.454   8.892
  279   2HD   ARG  39          2HD       ARG  39  -4.357  -1.984   8.943
  280    HE   ARG  39           HE       ARG  39  -4.639  -2.433  11.228
  281   1HH1  ARG  39          1HH1      ARG  39  -6.413  -4.816  10.509
  282   2HH1  ARG  39          2HH1      ARG  39  -5.645  -6.083  11.405
  283   1HH2  ARG  39          1HH2      ARG  39  -2.721  -4.296  11.936
  284   2HH2  ARG  39          2HH2      ARG  39  -3.556  -5.788  12.215
  285    H    PHE  40           H        PHE  40  -5.873  -7.477   6.442
  286    HA   PHE  40           HA       PHE  40  -3.950  -9.483   7.102
  287   1HB   PHE  40          1HB       PHE  40  -6.517  -9.511   5.513
  288   2HB   PHE  40          2HB       PHE  40  -5.535 -10.966   5.686
  289    HD1  PHE  40           HD1      PHE  40  -4.878 -11.689   8.074
  290    HD2  PHE  40           HD2      PHE  40  -7.997  -8.861   7.229
  291    HE1  PHE  40           HE1      PHE  40  -5.833 -12.071  10.330
  292    HE2  PHE  40           HE2      PHE  40  -8.955  -9.243   9.485
  293    HZ   PHE  40           HZ       PHE  40  -7.873 -10.848  11.036
  294    H    CYS  41           H        CYS  41  -4.302  -7.520   4.309
  295    HA   CYS  41           HA       CYS  41  -2.831  -9.397   2.563
  296   1HB   CYS  41          1HB       CYS  41  -4.205  -6.753   2.190
  297   2HB   CYS  41          2HB       CYS  41  -2.973  -7.243   1.029
  298    H    TRP  42           H        TRP  42  -2.393  -6.055   3.764
  299    HA   TRP  42           HA       TRP  42   0.310  -5.777   2.904
  300   1HB   TRP  42          1HB       TRP  42  -1.103  -3.876   3.628
  301   2HB   TRP  42          2HB       TRP  42  -1.069  -4.490   5.281
  302    HD1  TRP  42           HD1      TRP  42   1.367  -3.238   2.562
  303    HE1  TRP  42           HE1      TRP  42   3.410  -2.190   3.732
  304    HE3  TRP  42           HE3      TRP  42   0.209  -4.253   7.430
  305    HZ2  TRP  42           HZ2      TRP  42   4.423  -1.832   6.387
  306    HZ3  TRP  42           HZ3      TRP  42   1.727  -3.547   9.258
  307    HH2  TRP  42           HH2      TRP  42   3.831  -2.340   8.742
  308    H    HIS  43           H        HIS  43  -1.069  -7.549   5.533
  309    HA   HIS  43           HA       HIS  43   1.313  -7.586   7.198
  310   1HB   HIS  43          1HB       HIS  43  -1.381  -8.735   7.249
  311   2HB   HIS  43          2HB       HIS  43  -0.151  -9.840   7.867
  312    HD1  HIS  43           HD1      HIS  43   1.471  -8.778   9.772
  313    HD2  HIS  43           HD2      HIS  43  -2.080  -6.726   9.030
  314    HE1  HIS  43           HE1      HIS  43   1.102  -7.245  11.755
  315    H    ARG  44           H        ARG  44  -0.254 -10.194   5.290
  316    HA   ARG  44           HA       ARG  44   1.954 -11.983   5.473
  317   1HB   ARG  44          1HB       ARG  44  -0.514 -11.777   3.859
  318   2HB   ARG  44          2HB       ARG  44   0.794 -12.690   3.103
  319   1HG   ARG  44          1HG       ARG  44   1.016 -14.021   5.212
  320   2HG   ARG  44          2HG       ARG  44  -0.393 -13.176   5.850
  321   1HD   ARG  44          2HD       ARG  44  -1.486 -14.978   4.939
  322   2HD   ARG  44          1HD       ARG  44  -1.416 -13.973   3.492
  323    HE   ARG  44           HE       ARG  44   0.498 -16.196   4.071
  324   1HH1  ARG  44          1HH1      ARG  44   1.761 -14.572   2.114
  325   2HH1  ARG  44          2HH1      ARG  44   1.069 -15.061   0.604
  326   1HH2  ARG  44          1HH2      ARG  44  -1.667 -16.620   2.059
  327   2HH2  ARG  44          2HH2      ARG  44  -0.872 -16.222   0.572
  328    H    ILE  45           H        ILE  45   1.462  -9.180   3.483
  329    HA   ILE  45           HA       ILE  45   3.441  -9.964   1.475
  330    HB   ILE  45           HB       ILE  45   2.097  -7.314   2.073
  331   1HG1  ILE  45          1HG1      ILE  45   1.692  -9.366  -0.129
  332   2HG1  ILE  45          2HG1      ILE  45   0.606  -9.101   1.234
  333   1HG2  ILE  45          1HG2      ILE  45   4.443  -7.870   0.547
  334   2HG2  ILE  45          2HG2      ILE  45   3.140  -7.511  -0.586
  335   3HG2  ILE  45          3HG2      ILE  45   3.562  -6.348   0.669
  336   1HD1  ILE  45          1HD1      ILE  45   0.273  -6.756   0.492
  337   2HD1  ILE  45          2HD1      ILE  45   1.311  -7.065  -0.900
  338   3HD1  ILE  45          3HD1      ILE  45  -0.227  -7.911  -0.743
  339    H    ARG  46           H        ARG  46   3.375  -7.885   4.358
  340    HA   ARG  46           HA       ARG  46   6.169  -7.075   3.942
  341   1HB   ARG  46          1HB       ARG  46   4.025  -6.453   5.936
  342   2HB   ARG  46          2HB       ARG  46   5.704  -6.182   6.402
  343   1HG   ARG  46          2HG       ARG  46   4.357  -5.055   3.929
  344   2HG   ARG  46          1HG       ARG  46   4.742  -4.148   5.391
  345   1HD   ARG  46          1HD       ARG  46   7.099  -5.534   4.519
  346   2HD   ARG  46          2HD       ARG  46   6.429  -4.639   3.154
  347    HE   ARG  46           HE       ARG  46   6.764  -3.197   5.729
  348   1HH1  ARG  46          1HH1      ARG  46   6.445  -1.129   4.131
  349   2HH1  ARG  46          2HH1      ARG  46   7.902  -0.856   3.235
  350   1HH2  ARG  46          1HH2      ARG  46   9.192  -4.014   3.860
  351   2HH2  ARG  46          2HH2      ARG  46   9.457  -2.490   3.081
  352    H    THR  47           H        THR  47   4.710  -9.848   5.083
  353    HA   THR  47           HA       THR  47   7.097 -10.455   6.782
  354    HB   THR  47           HB       THR  47   4.831 -10.209   8.000
  355    HG1  THR  47           HG1      THR  47   6.254 -11.214   9.209
  356   1HG2  THR  47          1HG2      THR  47   3.709 -11.607   6.115
  357   2HG2  THR  47          2HG2      THR  47   4.358 -13.000   6.979
  358   3HG2  THR  47          3HG2      THR  47   3.228 -11.912   7.785
  359    H    ASP  48           H        ASP  48   5.328 -11.235   4.015
  360    HA   ASP  48           HA       ASP  48   6.640 -13.921   3.909
  361   1HB   ASP  48          1HB       ASP  48   4.022 -13.774   4.069
  362   2HB   ASP  48          2HB       ASP  48   4.130 -13.305   2.373
  363    H    GLU  49           H        GLU  49   5.030 -11.635   1.665
  364    HA   GLU  49           HA       GLU  49   6.876 -12.306  -0.478
  365   1HB   GLU  49          1HB       GLU  49   4.384 -11.332  -0.505
  366   2HB   GLU  49          2HB       GLU  49   5.255  -9.799  -0.565
  367   1HG   GLU  49          1HG       GLU  49   5.673 -10.114  -2.751
  368   2HG   GLU  49          2HG       GLU  49   6.523 -11.614  -2.377
  369    H    ASN  50           H        ASN  50   7.408  -9.749  -1.567
  370    HA   ASN  50           HA       ASN  50   9.500  -8.818   0.340
  371   1HB   ASN  50          1HB       ASN  50   9.197  -8.721  -2.655
  372   2HB   ASN  50          2HB       ASN  50  10.281  -7.594  -1.839
  373   2HD2  ASN  50          2HD2      ASN  50  11.221  -9.686  -3.623
  374   1HD2  ASN  50          1HD2      ASN  50  12.142 -10.771  -2.696
  375    H    GLY  51           H        GLY  51   6.712  -8.025   0.654
  376   1HA   GLY  51          2HA       GLY  51   6.950  -5.296   1.201
  377   2HA   GLY  51          1HA       GLY  51   5.404  -6.080   0.871
  378    H    LEU  52           H        LEU  52   6.298  -6.867  -1.864
  379    HA   LEU  52           HA       LEU  52   6.740  -4.295  -3.230
  380   1HB   LEU  52          1HB       LEU  52   6.631  -7.177  -4.068
  381   2HB   LEU  52          2HB       LEU  52   6.403  -5.923  -5.286
  382    HG   LEU  52           HG       LEU  52   8.789  -6.253  -3.447
  383   1HD1  LEU  52          1HD1      LEU  52   8.625  -7.742  -5.471
  384   2HD1  LEU  52          2HD1      LEU  52   8.593  -6.290  -6.473
  385   3HD1  LEU  52          3HD1      LEU  52  10.016  -6.657  -5.497
  386   1HD2  LEU  52          1HD2      LEU  52   7.721  -3.918  -4.845
  387   2HD2  LEU  52          2HD2      LEU  52   9.020  -4.010  -3.657
  388   3HD2  LEU  52          3HD2      LEU  52   9.362  -4.306  -5.362
  389    H    CYS  53           H        CYS  53   5.284  -3.806  -5.142
  390    HA   CYS  53           HA       CYS  53   2.473  -3.896  -4.242
  391   1HB   CYS  53          1HB       CYS  53   3.640  -1.794  -5.070
  392   2HB   CYS  53          2HB       CYS  53   3.638  -2.523  -6.671
  393    HA   PRO  54           HA       PRO  54   1.829  -7.209  -7.187
  394   1HB   PRO  54          1HB       PRO  54  -0.780  -7.680  -6.466
  395   2HB   PRO  54          2HB       PRO  54   0.613  -8.283  -5.551
  396   1HG   PRO  54          2HG       PRO  54  -1.250  -6.060  -4.876
  397   2HG   PRO  54          1HG       PRO  54  -0.262  -7.062  -3.801
  398   1HD   PRO  54          1HD       PRO  54   0.329  -4.409  -4.640
  399   2HD   PRO  54          2HD       PRO  54   1.422  -5.512  -3.778
  400    H    ALA  55           H        ALA  55   1.173  -4.162  -7.674
  401    HA   ALA  55           HA       ALA  55  -0.737  -4.692  -9.900
  402   1HB   ALA  55          1HB       ALA  55  -1.026  -2.839  -7.644
  403   2HB   ALA  55          3HB       ALA  55  -1.220  -2.057  -9.213
  404   3HB   ALA  55          2HB       ALA  55  -2.241  -3.427  -8.778
  405    H    CYS  56           H        CYS  56   1.842  -2.606  -8.600
  406    HA   CYS  56           HA       CYS  56   2.415  -1.800 -11.422
  407   1HB   CYS  56          1HB       CYS  56   3.147   0.313 -10.678
  408   2HB   CYS  56          2HB       CYS  56   1.721   0.001  -9.692
  409    H    ARG  57           H        ARG  57   3.546  -3.547  -8.746
  410    HA   ARG  57           HA       ARG  57   5.528  -4.774  -8.471
  411   1HB   ARG  57          1HB       ARG  57   5.487  -4.076 -11.294
  412   2HB   ARG  57          2HB       ARG  57   7.135  -4.143 -10.668
  413   1HG   ARG  57          1HG       ARG  57   5.920  -6.354  -9.508
  414   2HG   ARG  57          2HG       ARG  57   5.238  -6.319 -11.135
  415   1HD   ARG  57          1HD       ARG  57   7.177  -7.030 -12.026
  416   2HD   ARG  57          2HD       ARG  57   8.068  -5.733 -11.230
  417    HE   ARG  57           HE       ARG  57   7.591  -7.593  -9.214
  418   1HH1  ARG  57          1HH1      ARG  57   7.855  -9.218 -11.925
  419   2HH1  ARG  57          2HH1      ARG  57   9.494  -9.754 -11.759
  420   1HH2  ARG  57          1HH2      ARG  57  10.221  -7.578  -9.160
  421   2HH2  ARG  57          2HH2      ARG  57  10.832  -8.827 -10.192
  422    H    LYS  58           H        LYS  58   5.328  -2.241  -7.281
  423    HA   LYS  58           HA       LYS  58   8.154  -1.281  -7.473
  424   1HB   LYS  58          1HB       LYS  58   5.655   0.320  -6.831
  425   2HB   LYS  58          2HB       LYS  58   7.302   0.948  -6.754
  426   1HG   LYS  58          1HG       LYS  58   6.214  -0.321  -9.269
  427   2HG   LYS  58          2HG       LYS  58   5.977   1.392  -8.922
  428   1HD   LYS  58          1HD       LYS  58   8.715   0.802  -8.417
  429   2HD   LYS  58          2HD       LYS  58   8.306   0.099  -9.982
  430   1HE   LYS  58          1HE       LYS  58   8.306   2.137 -10.931
  431   2HE   LYS  58          2HE       LYS  58   7.086   2.692  -9.785
  432   1HZ   LYS  58          1HZ       LYS  58  10.010   2.604  -9.273
  433   2HZ   LYS  58          2HZ       LYS  58   9.119   4.001  -9.648
  434   3HZ   LYS  58          3HZ       LYS  58   8.828   3.170  -8.196
  435    HA   PRO  59           HA       PRO  59   8.425  -2.227  -3.202
  436   1HB   PRO  59          1HB       PRO  59  10.291  -0.364  -2.415
  437   2HB   PRO  59          2HB       PRO  59  10.683  -1.815  -3.356
  438   1HG   PRO  59          2HG       PRO  59  10.504   1.022  -4.266
  439   2HG   PRO  59          1HG       PRO  59  11.468  -0.310  -4.925
  440   1HD   PRO  59          1HD       PRO  59   9.052   0.667  -6.016
  441   2HD   PRO  59          2HD       PRO  59   9.832  -0.874  -6.432
  442    H    TYR  60           H        TYR  60   7.010  -1.747  -1.591
  443    HA   TYR  60           HA       TYR  60   5.265   0.362  -1.364
  444   1HB   TYR  60          1HB       TYR  60   6.704  -1.009   0.927
  445   2HB   TYR  60          2HB       TYR  60   5.230  -0.060   1.092
  446    HD1  TYR  60           HD1      TYR  60   4.761  -1.383  -2.006
  447    HD2  TYR  60           HD2      TYR  60   5.005  -2.708   2.074
  448    HE1  TYR  60           HE1      TYR  60   3.392  -3.372  -2.570
  449    HE2  TYR  60           HE2      TYR  60   3.639  -4.696   1.509
  450    HH   TYR  60           HH       TYR  60   1.827  -5.192  -0.421
  451    HA   PRO  61           HA       PRO  61   7.549   3.976  -0.364
  452   1HB   PRO  61          1HB       PRO  61   5.769   5.298   1.263
  453   2HB   PRO  61          2HB       PRO  61   5.596   5.183  -0.497
  454   1HG   PRO  61          2HG       PRO  61   4.106   3.718   1.640
  455   2HG   PRO  61          1HG       PRO  61   3.576   4.172   0.011
  456   1HD   PRO  61          1HD       PRO  61   4.412   1.604   0.784
  457   2HD   PRO  61          2HD       PRO  61   4.286   2.191  -0.890
  458    H    GLU  62           H        GLU  62   5.782   3.828   2.701
  459    HA   GLU  62           HA       GLU  62   6.562   3.632   4.910
  460   1HB   GLU  62          1HB       GLU  62   7.566   1.468   3.696
  461   2HB   GLU  62          2HB       GLU  62   9.085   2.310   4.002
  462   1HG   GLU  62          1HG       GLU  62   8.029   2.634   6.416
  463   2HG   GLU  62          2HG       GLU  62   7.104   1.204   5.955
  464    H    ASP  63           H        ASP  63   9.537   3.577   5.487
  465    HA   ASP  63           HA       ASP  63   9.907   6.454   5.532
  466   1HB   ASP  63          1HB       ASP  63  11.012   4.237   6.882
  467   2HB   ASP  63          2HB       ASP  63  12.354   4.981   6.009
  468    HA   PRO  64           HA       PRO  64  11.921   6.778   1.622
  469   1HB   PRO  64          1HB       PRO  64  12.959   9.298   1.983
  470   2HB   PRO  64          2HB       PRO  64  11.251   8.983   1.631
  471   1HG   PRO  64          2HG       PRO  64  12.515   9.795   4.203
  472   2HG   PRO  64          1HG       PRO  64  10.853  10.045   3.641
  473   1HD   PRO  64          1HD       PRO  64  11.719   8.066   5.484
  474   2HD   PRO  64          2HD       PRO  64  10.126   8.149   4.700
  475    H    ALA  65           H        ALA  65  13.472   6.186   4.459
  476    HA   ALA  65           HA       ALA  65  16.152   6.290   3.138
  477   1HB   ALA  65          1HB       ALA  65  15.740   8.026   5.008
  478   2HB   ALA  65          2HB       ALA  65  15.773   6.651   6.111
  479   3HB   ALA  65          3HB       ALA  65  17.191   7.031   5.132
  480    H    VAL  66           H        VAL  66  15.303   3.996   2.638
  481    HA   VAL  66           HA       VAL  66  15.524   2.174   4.972
  482    HB   VAL  66           HB       VAL  66  13.638   1.862   3.375
  483   1HG1  VAL  66          1HG1      VAL  66  15.056   2.618   1.385
  484   2HG1  VAL  66          2HG1      VAL  66  15.755   0.999   1.392
  485   3HG1  VAL  66          3HG1      VAL  66  14.027   1.212   1.108
  486   1HG2  VAL  66          1HG2      VAL  66  15.259  -0.054   4.514
  487   2HG2  VAL  66          2HG2      VAL  66  13.722  -0.385   3.717
  488   3HG2  VAL  66          3HG2      VAL  66  15.233  -0.553   2.822
  489    H    TYR  67           H        TYR  67  17.084   2.909   1.877
  490    HA   TYR  67           HA       TYR  67  19.066   0.781   2.192
  491   1HB   TYR  67          1HB       TYR  67  18.583   2.999   0.229
  492   2HB   TYR  67          2HB       TYR  67  20.170   2.234   0.278
  493    HD1  TYR  67           HD1      TYR  67  16.583   1.722  -0.408
  494    HD2  TYR  67           HD2      TYR  67  20.470  -0.105  -0.340
  495    HE1  TYR  67           HE1      TYR  67  15.703  -0.201  -1.708
  496    HE2  TYR  67           HE2      TYR  67  19.592  -2.025  -1.639
  497    HH   TYR  67           HH       TYR  67  16.576  -2.849  -1.893
  498    H    LYS  68           H        LYS  68  21.484   1.819   1.730
  499    HA   LYS  68           HA       LYS  68  23.291   2.756   2.907
  500   1HB   LYS  68          1HB       LYS  68  21.280   4.931   2.530
  501   2HB   LYS  68          2HB       LYS  68  22.635   5.254   3.612
  502   1HG   LYS  68          1HG       LYS  68  23.996   4.149   1.578
  503   2HG   LYS  68          2HG       LYS  68  22.629   4.793   0.668
  504   1HD   LYS  68          1HD       LYS  68  23.964   6.553   2.693
  505   2HD   LYS  68          2HD       LYS  68  24.755   6.301   1.136
  506   1HE   LYS  68          1HE       LYS  68  22.181   6.767   0.345
  507   2HE   LYS  68          2HE       LYS  68  22.287   7.793   1.775
  508   1HZ   LYS  68          1HZ       LYS  68  24.351   7.801  -0.348
  509   2HZ   LYS  68          2HZ       LYS  68  23.000   8.826  -0.388
  510   3HZ   LYS  68          3HZ       LYS  68  24.115   8.943   0.889
  511    HA   PRO  69           HA       PRO  69  21.441   1.911   7.026
  512   1HB   PRO  69          1HB       PRO  69  23.170  -0.140   7.622
  513   2HB   PRO  69          2HB       PRO  69  21.640  -0.371   6.762
  514   1HG   PRO  69          2HG       PRO  69  24.421  -0.411   5.687
  515   2HG   PRO  69          1HG       PRO  69  22.969  -1.216   5.070
  516   1HD   PRO  69          1HD       PRO  69  24.117   1.159   4.037
  517   2HD   PRO  69          2HD       PRO  69  22.506   0.521   3.648
  518    H    LEU  70           H        LEU  70  24.869   1.977   6.044
  519    HA   LEU  70           HA       LEU  70  25.470   3.449   8.581
  520   1HB   LEU  70          1HB       LEU  70  26.992   1.390   7.032
  521   2HB   LEU  70          2HB       LEU  70  27.908   2.646   7.864
  522    HG   LEU  70           HG       LEU  70  27.611   0.695   9.328
  523   1HD1  LEU  70          1HD1      LEU  70  27.061   3.345   9.958
  524   2HD1  LEU  70          2HD1      LEU  70  25.708   2.464  10.669
  525   3HD1  LEU  70          3HD1      LEU  70  27.363   2.051  11.118
  526   1HD2  LEU  70          1HD2      LEU  70  25.281   0.252   8.113
  527   2HD2  LEU  70          2HD2      LEU  70  25.560  -0.292   9.767
  528   3HD2  LEU  70          3HD2      LEU  70  24.661   1.195   9.467
  529    H    SER  71           H        SER  71  27.400   4.983   8.280
  530    HA   SER  71           HA       SER  71  27.061   6.400   5.676
  531   1HB   SER  71          1HB       SER  71  27.540   7.278   8.473
  532   2HB   SER  71          2HB       SER  71  28.383   8.187   7.223
  533    HG   SER  71           HG       SER  71  26.431   9.141   7.356
  534    H    GLN  72           H        GLN  72  28.938   7.068   4.521
  535    HA   GLN  72           HA       GLN  72  31.462   5.727   5.410
  536   1HB   GLN  72          2HB       GLN  72  30.838   6.369   2.534
  537   2HB   GLN  72          1HB       GLN  72  31.959   5.170   3.180
  538   1HG   GLN  72          2HG       GLN  72  30.188   3.798   2.572
  539   2HG   GLN  72          1HG       GLN  72  29.755   4.156   4.243
  540   2HE2  GLN  72          2HE2      GLN  72  29.452   6.198   1.288
  541   1HE2  GLN  72          1HE2      GLN  72  27.777   6.431   1.442
  542    H    GLU  73           H        GLU  73  32.955   7.006   3.232
  543    HA   GLU  73           HA       GLU  73  33.340   9.631   4.538
  544   1HB   GLU  73          1HB       GLU  73  35.344   8.315   4.138
  545   2HB   GLU  73          2HB       GLU  73  34.940   8.151   2.429
  546   1HG   GLU  73          1HG       GLU  73  34.959  10.941   3.278
  547   2HG   GLU  73          2HG       GLU  73  36.514  10.159   3.558
  548    H    GLU  74           H        GLU  74  32.449   8.271   1.388
  549    HA   GLU  74           HA       GLU  74  31.206  10.846   0.675
  550   1HB   GLU  74          1HB       GLU  74  33.674   9.775  -0.610
  551   2HB   GLU  74          2HB       GLU  74  32.447  10.461  -1.675
  552   1HG   GLU  74          1HG       GLU  74  32.449  12.409   0.126
  553   2HG   GLU  74          2HG       GLU  74  34.074  11.802   0.450
  554    H    LEU  75           H        LEU  75  32.237   7.887  -1.064
  555    HA   LEU  75           HA       LEU  75  29.385   7.145  -1.390
  556   1HB   LEU  75          1HB       LEU  75  30.565   8.582  -3.377
  557   2HB   LEU  75          2HB       LEU  75  31.000   6.946  -3.868
  558    HG   LEU  75           HG       LEU  75  28.905   7.360  -4.909
  559   1HD1  LEU  75          1HD1      LEU  75  29.154   5.213  -3.498
  560   2HD1  LEU  75          2HD1      LEU  75  28.072   5.996  -2.346
  561   3HD1  LEU  75          3HD1      LEU  75  27.523   5.668  -3.991
  562   1HD2  LEU  75          1HD2      LEU  75  28.559   9.213  -2.875
  563   2HD2  LEU  75          2HD2      LEU  75  27.353   8.796  -4.092
  564   3HD2  LEU  75          3HD2      LEU  75  27.330   7.998  -2.519
  565    H    GLN  76           H        GLN  76  32.467   6.134  -2.902
  566    HA   GLN  76           HA       GLN  76  31.865   3.336  -2.585
  567   1HB   GLN  76          1HB       GLN  76  34.100   4.970  -3.593
  568   2HB   GLN  76          2HB       GLN  76  34.599   3.438  -2.873
  569   1HG   GLN  76          1HG       GLN  76  33.058   2.212  -4.319
  570   2HG   GLN  76          2HG       GLN  76  32.450   3.725  -4.991
  571   2HE2  GLN  76          2HE2      GLN  76  33.556   4.562  -6.784
  572   1HE2  GLN  76          1HE2      GLN  76  35.060   3.998  -7.333
  573    H    ARG  77           H        ARG  77  33.009   1.823  -1.175
  574    HA   ARG  77           HA       ARG  77  33.026   2.508   1.546
  575   1HB   ARG  77          1HB       ARG  77  33.896   0.248  -0.071
  576   2HB   ARG  77          2HB       ARG  77  34.956   0.497   1.318
  577   1HG   ARG  77          1HG       ARG  77  32.937  -0.996   1.741
  578   2HG   ARG  77          2HG       ARG  77  33.124   0.359   2.856
  579   1HD   ARG  77          1HD       ARG  77  31.318   1.507   1.984
  580   2HD   ARG  77          2HD       ARG  77  31.517   0.809   0.376
  581    HE   ARG  77           HE       ARG  77  30.646  -1.048   2.501
  582   1HH1  ARG  77          1HH1      ARG  77  30.366  -0.353  -0.709
  583   2HH1  ARG  77          2HH1      ARG  77  28.643  -0.506  -0.802
  584   1HH2  ARG  77          1HH2      ARG  77  28.204  -0.665   2.632
  585   2HH2  ARG  77          2HH2      ARG  77  27.419  -0.685   1.088
  586    H    ILE  78           H        ILE  78  35.247   2.137   2.875
  587    HA   ILE  78           HA       ILE  78  37.216   4.063   1.702
  588    HB   ILE  78           HB       ILE  78  36.677   3.578   4.644
  589   1HG1  ILE  78          2HG1      ILE  78  35.774   6.112   4.074
  590   2HG1  ILE  78          1HG1      ILE  78  35.272   5.221   2.637
  591   1HG2  ILE  78          1HG2      ILE  78  38.900   4.594   3.623
  592   2HG2  ILE  78          2HG2      ILE  78  37.906   6.042   3.459
  593   3HG2  ILE  78          3HG2      ILE  78  38.158   5.320   5.049
  594   1HD1  ILE  78          1HD1      ILE  78  34.732   4.261   5.458
  595   2HD1  ILE  78          2HD1      ILE  78  33.582   5.219   4.525
  596   3HD1  ILE  78          3HD1      ILE  78  34.058   3.617   3.961

  No H/Q in entry =         596
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1 -26.256  -8.665 -14.156
    2    H2   MET   1           H2       MET   1 -25.061  -9.682 -13.512
    3    H3   MET   1           H3       MET   1 -26.703 -10.039 -13.262
    4    HA   MET   1           HA       MET   1 -27.003  -8.304 -11.763
    5   1HB   MET   1          1HB       MET   1 -25.592 -10.213 -10.920
    6   2HB   MET   1          2HB       MET   1 -24.161  -9.253 -11.296
    7   1HG   MET   1          1HG       MET   1 -25.955  -7.594  -9.821
    8   2HG   MET   1          2HG       MET   1 -25.805  -9.126  -8.960
    9   1HE   MET   1          1HE       MET   1 -24.823  -5.952  -9.702
   10   2HE   MET   1          2HE       MET   1 -24.272  -5.913  -8.030
   11   3HE   MET   1          3HE       MET   1 -23.116  -5.672  -9.337
   12    H    SER   2           H        SER   2 -27.018  -6.340 -13.058
   13    HA   SER   2           HA       SER   2 -24.946  -4.476 -12.301
   14   1HB   SER   2          1HB       SER   2 -24.043  -5.895 -14.342
   15   2HB   SER   2          2HB       SER   2 -25.096  -4.835 -15.276
   16    HG   SER   2           HG       SER   2 -22.755  -4.292 -13.907
   17    H    ARG   3           H        ARG   3 -27.487  -5.161 -14.707
   18    HA   ARG   3           HA       ARG   3 -29.428  -3.944 -15.207
   19   1HB   ARG   3          1HB       ARG   3 -28.590  -2.008 -13.033
   20   2HB   ARG   3          2HB       ARG   3 -30.205  -2.253 -13.691
   21   1HG   ARG   3          1HG       ARG   3 -30.169  -4.589 -12.835
   22   2HG   ARG   3          2HG       ARG   3 -28.592  -4.273 -12.106
   23   1HD   ARG   3          1HD       ARG   3 -30.330  -2.155 -11.327
   24   2HD   ARG   3          2HD       ARG   3 -31.188  -3.671 -11.050
   25    HE   ARG   3           HE       ARG   3 -29.607  -4.207  -9.367
   26   1HH1  ARG   3          1HH1      ARG   3 -27.006  -4.089 -10.227
   27   2HH1  ARG   3          2HH1      ARG   3 -26.361  -2.569  -9.701
   28   1HH2  ARG   3          1HH2      ARG   3 -29.473  -1.142  -9.144
   29   2HH2  ARG   3          2HH2      ARG   3 -27.759  -0.901  -9.087
   30    H    SER   4           H        SER   4 -27.428  -1.174 -14.163
   31    HA   SER   4           HA       SER   4 -27.420  -0.307 -17.023
   32   1HB   SER   4          1HB       SER   4 -26.810   1.809 -15.146
   33   2HB   SER   4          2HB       SER   4 -28.111   1.718 -16.327
   34    HG   SER   4           HG       SER   4 -29.230   1.633 -14.511
   35    HA   PRO   5           HA       PRO   5 -23.027  -0.414 -16.893
   36   1HB   PRO   5          1HB       PRO   5 -22.530   1.334 -18.957
   37   2HB   PRO   5          2HB       PRO   5 -23.111  -0.323 -19.197
   38   1HG   PRO   5          2HG       PRO   5 -24.605   2.243 -19.454
   39   2HG   PRO   5          1HG       PRO   5 -24.913   0.683 -20.235
   40   1HD   PRO   5          1HD       PRO   5 -26.311   1.737 -18.003
   41   2HD   PRO   5          2HD       PRO   5 -26.402   0.070 -18.608
   42    H    ASP   6           H        ASP   6 -23.657   2.936 -17.914
   43    HA   ASP   6           HA       ASP   6 -21.676   3.978 -16.071
   44   1HB   ASP   6          1HB       ASP   6 -23.385   5.007 -18.219
   45   2HB   ASP   6          2HB       ASP   6 -23.199   6.147 -16.885
   46    H    ALA   7           H        ALA   7 -22.473   6.002 -14.681
   47    HA   ALA   7           HA       ALA   7 -23.674   6.708 -12.793
   48   1HB   ALA   7          1HB       ALA   7 -25.706   5.543 -14.604
   49   2HB   ALA   7          3HB       ALA   7 -26.181   5.646 -12.909
   50   3HB   ALA   7          2HB       ALA   7 -25.695   7.101 -13.778
   51    H    LYS   8           H        LYS   8 -22.093   4.315 -12.637
   52    HA   LYS   8           HA       LYS   8 -23.702   2.691 -10.707
   53   1HB   LYS   8          1HB       LYS   8 -22.011   1.926 -12.896
   54   2HB   LYS   8          2HB       LYS   8 -21.280   1.357 -11.394
   55   1HG   LYS   8          1HG       LYS   8 -24.174   0.950 -11.442
   56   2HG   LYS   8          2HG       LYS   8 -23.356   0.110 -12.760
   57   1HD   LYS   8          1HD       LYS   8 -22.609  -1.452 -11.327
   58   2HD   LYS   8          2HD       LYS   8 -21.802  -0.209 -10.371
   59   1HE   LYS   8          1HE       LYS   8 -24.661  -0.124  -9.923
   60   2HE   LYS   8          2HE       LYS   8 -24.036  -1.743  -9.606
   61   1HZ   LYS   8          1HZ       LYS   8 -22.186  -0.040  -8.517
   62   2HZ   LYS   8          2HZ       LYS   8 -23.679   0.654  -8.110
   63   3HZ   LYS   8          3HZ       LYS   8 -23.343  -0.951  -7.669
   64    H    GLU   9           H        GLU   9 -23.085   2.861  -8.603
   65    HA   GLU   9           HA       GLU   9 -21.122   4.634  -7.660
   66   1HB   GLU   9          1HB       GLU   9 -22.900   2.718  -6.525
   67   2HB   GLU   9          2HB       GLU   9 -21.303   2.437  -5.828
   68   1HG   GLU   9          1HG       GLU   9 -21.178   4.575  -4.905
   69   2HG   GLU   9          2HG       GLU   9 -22.334   5.248  -6.056
   70    H    ASP  10           H        ASP  10 -19.267   3.594  -6.093
   71    HA   ASP  10           HA       ASP  10 -17.860   1.327  -7.264
   72   1HB   ASP  10          1HB       ASP  10 -17.225   2.901  -8.961
   73   2HB   ASP  10          2HB       ASP  10 -16.887   4.150  -7.763
   74    HA   PRO  11           HA       PRO  11 -16.821   2.230  -2.901
   75   1HB   PRO  11          1HB       PRO  11 -17.185  -0.365  -2.068
   76   2HB   PRO  11          2HB       PRO  11 -18.490   0.832  -2.144
   77   1HG   PRO  11          2HG       PRO  11 -17.946  -1.469  -3.962
   78   2HG   PRO  11          1HG       PRO  11 -19.481  -0.658  -3.604
   79   1HD   PRO  11          1HD       PRO  11 -17.904  -0.284  -5.929
   80   2HD   PRO  11          2HD       PRO  11 -19.260   0.739  -5.409
   81    H    VAL  12           H        VAL  12 -15.112   0.981  -1.512
   82    HA   VAL  12           HA       VAL  12 -12.960   0.039  -3.359
   83    HB   VAL  12           HB       VAL  12 -12.325   0.811  -0.551
   84   1HG1  VAL  12          1HG1      VAL  12 -10.659   0.053  -2.293
   85   2HG1  VAL  12          2HG1      VAL  12 -11.024   1.525  -3.192
   86   3HG1  VAL  12          3HG1      VAL  12 -10.305   1.629  -1.585
   87   1HG2  VAL  12          1HG2      VAL  12 -13.216   2.751  -2.701
   88   2HG2  VAL  12          2HG2      VAL  12 -13.823   2.616  -1.050
   89   3HG2  VAL  12          3HG2      VAL  12 -12.199   3.236  -1.344
   90    H    GLU  13           H        GLU  13 -12.221  -2.023  -3.130
   91    HA   GLU  13           HA       GLU  13 -12.781  -3.466  -0.589
   92   1HB   GLU  13          1HB       GLU  13 -13.382  -5.492  -2.054
   93   2HB   GLU  13          2HB       GLU  13 -14.598  -4.222  -1.922
   94   1HG   GLU  13          1HG       GLU  13 -13.171  -3.322  -4.062
   95   2HG   GLU  13          2HG       GLU  13 -12.997  -5.066  -4.266
   96    H    CYS  14           H        CYS  14 -10.995  -4.576   0.068
   97    HA   CYS  14           HA       CYS  14  -8.479  -4.353  -1.052
   98   1HB   CYS  14          1HB       CYS  14  -8.989  -5.370   1.183
   99   2HB   CYS  14          2HB       CYS  14  -9.471  -6.848   0.352
  100    HA   PRO  15           HA       PRO  15  -9.120  -6.863  -4.732
  101   1HB   PRO  15          1HB       PRO  15  -6.868  -5.940  -6.008
  102   2HB   PRO  15          2HB       PRO  15  -8.408  -5.063  -5.993
  103   1HG   PRO  15          2HG       PRO  15  -5.903  -4.481  -4.485
  104   2HG   PRO  15          1HG       PRO  15  -7.189  -3.375  -4.994
  105   1HD   PRO  15          1HD       PRO  15  -6.836  -4.427  -2.385
  106   2HD   PRO  15          2HD       PRO  15  -8.278  -3.581  -2.987
  107    H    LEU  16           H        LEU  16  -6.933  -7.050  -2.235
  108    HA   LEU  16           HA       LEU  16  -5.201  -9.105  -3.495
  109   1HB   LEU  16          1HB       LEU  16  -5.145  -7.631  -0.858
  110   2HB   LEU  16          2HB       LEU  16  -4.130  -9.042  -1.145
  111    HG   LEU  16           HG       LEU  16  -3.117  -6.719  -1.634
  112   1HD1  LEU  16          1HD1      LEU  16  -3.075  -9.173  -3.313
  113   2HD1  LEU  16          2HD1      LEU  16  -2.301  -7.739  -3.987
  114   3HD1  LEU  16          3HD1      LEU  16  -1.763  -8.385  -2.437
  115   1HD2  LEU  16          1HD2      LEU  16  -5.223  -6.004  -2.912
  116   2HD2  LEU  16          2HD2      LEU  16  -3.681  -5.661  -3.699
  117   3HD2  LEU  16          3HD2      LEU  16  -4.652  -7.039  -4.221
  118    H    CYS  17           H        CYS  17  -7.711  -8.719  -1.039
  119    HA   CYS  17           HA       CYS  17  -7.996 -11.685  -0.992
  120   1HB   CYS  17          1HB       CYS  17  -8.108 -11.783   1.384
  121   2HB   CYS  17          2HB       CYS  17  -6.702 -10.777   1.041
  122    H    MET  18           H        MET  18  -9.394  -9.165  -2.076
  123    HA   MET  18           HA       MET  18 -11.578  -8.314  -2.228
  124   1HB   MET  18          1HB       MET  18 -11.520 -11.039  -2.804
  125   2HB   MET  18          2HB       MET  18 -12.871 -10.877  -1.681
  126   1HG   MET  18          1HG       MET  18 -14.043 -10.282  -3.540
  127   2HG   MET  18          2HG       MET  18 -13.279  -8.711  -3.293
  128   1HE   MET  18          1HE       MET  18 -13.958  -8.307  -5.476
  129   2HE   MET  18          2HE       MET  18 -12.354  -7.632  -5.756
  130   3HE   MET  18          3HE       MET  18 -13.089  -8.705  -6.956
  131    H    GLU  19           H        GLU  19 -11.719  -7.070  -0.314
  132    HA   GLU  19           HA       GLU  19 -13.529  -8.201   1.723
  133   1HB   GLU  19          1HB       GLU  19 -10.665  -7.517   2.201
  134   2HB   GLU  19          2HB       GLU  19 -11.825  -7.025   3.436
  135   1HG   GLU  19          1HG       GLU  19 -12.707  -9.518   3.076
  136   2HG   GLU  19          2HG       GLU  19 -11.039  -9.770   2.559
  137    HA   PRO  20           HA       PRO  20 -14.967  -4.059   1.851
  138   1HB   PRO  20          1HB       PRO  20 -15.745  -3.838   4.475
  139   2HB   PRO  20          2HB       PRO  20 -16.643  -4.769   3.264
  140   1HG   PRO  20          2HG       PRO  20 -14.904  -5.755   5.479
  141   2HG   PRO  20          1HG       PRO  20 -16.265  -6.560   4.679
  142   1HD   PRO  20          1HD       PRO  20 -13.525  -7.074   4.198
  143   2HD   PRO  20          2HD       PRO  20 -14.880  -7.609   3.181
  144    H    LEU  21           H        LEU  21 -13.376  -2.511   1.638
  145    HA   LEU  21           HA       LEU  21 -11.213  -2.191   3.530
  146   1HB   LEU  21          1HB       LEU  21 -12.181  -0.741   1.101
  147   2HB   LEU  21          2HB       LEU  21 -11.087   0.111   2.193
  148    HG   LEU  21           HG       LEU  21 -10.494  -2.677   1.191
  149   1HD1  LEU  21          1HD1      LEU  21 -10.659  -0.381  -0.412
  150   2HD1  LEU  21          2HD1      LEU  21  -8.940  -0.564  -0.059
  151   3HD1  LEU  21          3HD1      LEU  21  -9.832  -1.887  -0.814
  152   1HD2  LEU  21          1HD2      LEU  21  -8.874  -0.432   2.423
  153   2HD2  LEU  21          2HD2      LEU  21  -9.210  -2.015   3.124
  154   3HD2  LEU  21          3HD2      LEU  21  -8.150  -1.879   1.722
  155    H    GLU  22           H        GLU  22 -11.218  -1.035   5.393
  156    HA   GLU  22           HA       GLU  22 -13.654   0.324   6.242
  157   1HB   GLU  22          1HB       GLU  22 -11.617  -0.929   7.576
  158   2HB   GLU  22          2HB       GLU  22 -11.190   0.767   7.811
  159   1HG   GLU  22          1HG       GLU  22 -13.108   1.227   9.019
  160   2HG   GLU  22          2HG       GLU  22 -14.043  -0.036   8.217
  161    H    ILE  23           H        ILE  23 -13.235   2.603   7.350
  162    HA   ILE  23           HA       ILE  23 -12.700   4.471   5.269
  163    HB   ILE  23           HB       ILE  23 -12.669   4.891   8.273
  164   1HG1  ILE  23          1HG1      ILE  23 -14.777   3.923   7.411
  165   2HG1  ILE  23          2HG1      ILE  23 -15.012   5.589   7.941
  166   1HG2  ILE  23          1HG2      ILE  23 -11.784   6.639   6.359
  167   2HG2  ILE  23          2HG2      ILE  23 -13.492   7.068   6.458
  168   3HG2  ILE  23          3HG2      ILE  23 -12.482   7.127   7.903
  169   1HD1  ILE  23          1HD1      ILE  23 -14.676   6.320   5.558
  170   2HD1  ILE  23          2HD1      ILE  23 -14.656   4.620   5.092
  171   3HD1  ILE  23          3HD1      ILE  23 -16.110   5.323   5.799
  172    H    ASP  24           H        ASP  24 -10.775   4.043   8.260
  173    HA   ASP  24           HA       ASP  24  -8.507   5.471   7.298
  174   1HB   ASP  24          1HB       ASP  24  -9.063   3.597   9.540
  175   2HB   ASP  24          2HB       ASP  24  -7.371   3.814   9.093
  176    H    ASP  25           H        ASP  25  -9.627   2.290   6.564
  177    HA   ASP  25           HA       ASP  25  -7.027   1.204   5.822
  178   1HB   ASP  25          1HB       ASP  25  -9.880   0.340   5.334
  179   2HB   ASP  25          2HB       ASP  25  -8.515  -0.519   4.620
  180    H    ILE  26           H        ILE  26  -9.589   2.977   4.193
  181    HA   ILE  26           HA       ILE  26  -8.898   2.470   1.501
  182    HB   ILE  26           HB       ILE  26  -9.945   5.014   2.776
  183   1HG1  ILE  26          1HG1      ILE  26 -11.503   2.993   1.173
  184   2HG1  ILE  26          2HG1      ILE  26 -11.220   2.737   2.894
  185   1HG2  ILE  26          1HG2      ILE  26  -9.237   4.305   0.000
  186   2HG2  ILE  26          2HG2      ILE  26 -10.863   4.963   0.193
  187   3HG2  ILE  26          3HG2      ILE  26  -9.465   5.894   0.732
  188   1HD1  ILE  26          1HD1      ILE  26 -12.032   5.322   2.939
  189   2HD1  ILE  26          2HD1      ILE  26 -12.934   4.743   1.538
  190   3HD1  ILE  26          3HD1      ILE  26 -13.140   3.961   3.106
  191    H    ASN  27           H        ASN  27  -7.812   5.245   3.503
  192    HA   ASN  27           HA       ASN  27  -5.826   6.076   1.584
  193   1HB   ASN  27          2HB       ASN  27  -5.694   6.667   4.541
  194   2HB   ASN  27          1HB       ASN  27  -5.169   7.679   3.195
  195   2HD2  ASN  27          2HD2      ASN  27  -6.968   8.742   5.113
  196   1HD2  ASN  27          1HD2      ASN  27  -8.489   8.950   4.388
  197    H    PHE  28           H        PHE  28  -5.911   3.444   3.721
  198    HA   PHE  28           HA       PHE  28  -3.005   3.376   4.189
  199   1HB   PHE  28          1HB       PHE  28  -4.529   2.488   5.911
  200   2HB   PHE  28          2HB       PHE  28  -5.152   1.309   4.757
  201    HD1  PHE  28           HD1      PHE  28  -3.455  -0.309   3.670
  202    HD2  PHE  28           HD2      PHE  28  -2.608   2.008   7.185
  203    HE1  PHE  28           HE1      PHE  28  -1.586  -1.843   4.230
  204    HE2  PHE  28           HE2      PHE  28  -0.741   0.475   7.747
  205    HZ   PHE  28           HZ       PHE  28  -0.230  -1.449   6.268
  206    H    PHE  29           H        PHE  29  -1.657   2.670   2.606
  207    HA   PHE  29           HA       PHE  29  -2.510   0.355   0.951
  208   1HB   PHE  29          1HB       PHE  29  -1.385   1.685  -1.022
  209   2HB   PHE  29          2HB       PHE  29  -3.070   1.999  -0.606
  210    HD1  PHE  29           HD1      PHE  29   0.375   3.113   0.448
  211    HD2  PHE  29           HD2      PHE  29  -3.714   4.204  -0.322
  212    HE1  PHE  29           HE1      PHE  29   0.907   5.486   0.943
  213    HE2  PHE  29           HE2      PHE  29  -3.183   6.567   0.177
  214    HZ   PHE  29           HZ       PHE  29  -0.869   7.213   0.809
  215    HA   PRO  30           HA       PRO  30   1.701  -0.761   1.518
  216   1HB   PRO  30          1HB       PRO  30   1.907  -2.565  -0.543
  217   2HB   PRO  30          2HB       PRO  30   1.052  -2.907   0.970
  218   1HG   PRO  30          2HG       PRO  30  -0.072  -2.324  -1.727
  219   2HG   PRO  30          1HG       PRO  30  -0.789  -3.231  -0.385
  220   1HD   PRO  30          1HD       PRO  30  -1.409  -0.559  -1.114
  221   2HD   PRO  30          2HD       PRO  30  -1.889  -1.378   0.388
  222    H    CYS  31           H        CYS  31   0.537   0.502  -1.531
  223    HA   CYS  31           HA       CYS  31   3.318   1.401  -2.155
  224   1HB   CYS  31          1HB       CYS  31   2.789  -0.349  -3.738
  225   2HB   CYS  31          2HB       CYS  31   1.213   0.370  -4.076
  226    H    THR  32           H        THR  32   3.433   3.475  -3.224
  227    HA   THR  32           HA       THR  32   1.161   5.220  -2.513
  228    HB   THR  32           HB       THR  32   2.994   6.918  -3.540
  229    HG1  THR  32           HG1      THR  32   5.034   6.099  -3.032
  230   1HG2  THR  32          1HG2      THR  32   2.714   5.653  -0.828
  231   2HG2  THR  32          2HG2      THR  32   3.966   6.862  -1.113
  232   3HG2  THR  32          3HG2      THR  32   2.269   7.279  -1.343
  233    H    CYS  33           H        CYS  33   0.323   3.663  -4.597
  234    HA   CYS  33           HA       CYS  33   0.382   5.606  -6.865
  235   1HB   CYS  33          1HB       CYS  33   0.448   3.839  -8.478
  236   2HB   CYS  33          2HB       CYS  33   1.730   3.497  -7.319
  237    H    GLY  34           H        GLY  34  -1.468   4.158  -4.542
  238   1HA   GLY  34          2HA       GLY  34  -3.930   4.528  -6.191
  239   2HA   GLY  34          1HA       GLY  34  -3.844   4.824  -4.454
  240    H    TYR  35           H        TYR  35  -2.317   2.005  -5.903
  241    HA   TYR  35           HA       TYR  35  -4.536   0.202  -5.527
  242   1HB   TYR  35          1HB       TYR  35  -2.181  -0.058  -6.801
  243   2HB   TYR  35          2HB       TYR  35  -1.743  -0.824  -5.274
  244    HD1  TYR  35           HD1      TYR  35  -4.454  -0.813  -7.857
  245    HD2  TYR  35           HD2      TYR  35  -2.297  -3.090  -4.917
  246    HE1  TYR  35           HE1      TYR  35  -5.665  -2.862  -8.552
  247    HE2  TYR  35           HE2      TYR  35  -3.512  -5.136  -5.614
  248    HH   TYR  35           HH       TYR  35  -5.217  -5.379  -8.463
  249    H    GLN  36           H        GLN  36  -5.304   0.731  -3.386
  250    HA   GLN  36           HA       GLN  36  -3.461   0.195  -1.135
  251   1HB   GLN  36          1HB       GLN  36  -6.332   0.826  -0.645
  252   2HB   GLN  36          2HB       GLN  36  -4.894   1.415   0.187
  253   1HG   GLN  36          2HG       GLN  36  -5.218   3.335  -0.957
  254   2HG   GLN  36          1HG       GLN  36  -4.593   2.463  -2.354
  255   2HE2  GLN  36          2HE2      GLN  36  -7.377   4.032  -1.060
  256   1HE2  GLN  36          1HE2      GLN  36  -8.477   3.567  -2.265
  257    H    ILE  37           H        ILE  37  -4.228  -1.263   0.618
  258    HA   ILE  37           HA       ILE  37  -6.126  -3.356  -0.312
  259    HB   ILE  37           HB       ILE  37  -4.610  -5.138   0.168
  260   1HG1  ILE  37          1HG1      ILE  37  -2.666  -3.053   1.206
  261   2HG1  ILE  37          2HG1      ILE  37  -3.666  -4.077   2.236
  262   1HG2  ILE  37          1HG2      ILE  37  -4.207  -3.971  -1.989
  263   2HG2  ILE  37          2HG2      ILE  37  -3.020  -2.939  -1.191
  264   3HG2  ILE  37          3HG2      ILE  37  -2.726  -4.672  -1.336
  265   1HD1  ILE  37          1HD1      ILE  37  -2.538  -5.940   0.586
  266   2HD1  ILE  37          2HD1      ILE  37  -1.237  -4.753   0.699
  267   3HD1  ILE  37          3HD1      ILE  37  -1.885  -5.492   2.163
  268    H    CYS  38           H        CYS  38  -5.923  -5.070   1.845
  269    HA   CYS  38           HA       CYS  38  -6.996  -3.364   4.002
  270   1HB   CYS  38          1HB       CYS  38  -7.994  -5.336   4.880
  271   2HB   CYS  38          2HB       CYS  38  -8.148  -5.491   3.132
  272    H    ARG  39           H        ARG  39  -6.226  -3.665   6.235
  273    HA   ARG  39           HA       ARG  39  -3.363  -3.626   6.392
  274   1HB   ARG  39          1HB       ARG  39  -5.608  -3.536   8.357
  275   2HB   ARG  39          2HB       ARG  39  -3.997  -3.917   8.967
  276   1HG   ARG  39          1HG       ARG  39  -3.739  -1.756   7.120
  277   2HG   ARG  39          2HG       ARG  39  -5.047  -1.358   8.234
  278   1HD   ARG  39          1HD       ARG  39  -3.268  -2.317  10.008
  279   2HD   ARG  39          2HD       ARG  39  -2.144  -1.744   8.775
  280    HE   ARG  39           HE       ARG  39  -3.494   0.478   8.994
  281   1HH1  ARG  39          1HH1      ARG  39  -5.038  -0.911  11.313
  282   2HH1  ARG  39          2HH1      ARG  39  -4.260  -0.175  12.675
  283   1HH2  ARG  39          1HH2      ARG  39  -1.591   1.045  10.826
  284   2HH2  ARG  39          2HH2      ARG  39  -2.309   0.932  12.398
  285    H    PHE  40           H        PHE  40  -5.455  -6.270   6.153
  286    HA   PHE  40           HA       PHE  40  -3.685  -8.039   7.742
  287   1HB   PHE  40          1HB       PHE  40  -6.448  -8.091   7.033
  288   2HB   PHE  40          2HB       PHE  40  -5.684  -9.516   6.327
  289    HD1  PHE  40           HD1      PHE  40  -3.466  -9.931   8.301
  290    HD2  PHE  40           HD2      PHE  40  -7.622  -9.017   8.890
  291    HE1  PHE  40           HE1      PHE  40  -3.382 -10.994  10.539
  292    HE2  PHE  40           HE2      PHE  40  -7.538 -10.080  11.129
  293    HZ   PHE  40           HZ       PHE  40  -5.418 -11.070  11.953
  294    H    CYS  41           H        CYS  41  -4.103  -6.975   4.515
  295    HA   CYS  41           HA       CYS  41  -2.811  -9.370   3.355
  296   1HB   CYS  41          1HB       CYS  41  -4.148  -6.924   2.272
  297   2HB   CYS  41          2HB       CYS  41  -2.917  -7.691   1.271
  298    H    TRP  42           H        TRP  42  -2.054  -6.155   4.437
  299    HA   TRP  42           HA       TRP  42   0.556  -6.085   3.084
  300   1HB   TRP  42          1HB       TRP  42  -0.538  -3.967   3.360
  301   2HB   TRP  42          2HB       TRP  42  -0.822  -4.265   5.073
  302    HD1  TRP  42           HD1      TRP  42   2.097  -3.702   2.617
  303    HE1  TRP  42           HE1      TRP  42   4.053  -2.638   3.916
  304    HE3  TRP  42           HE3      TRP  42   0.171  -3.791   7.347
  305    HZ2  TRP  42           HZ2      TRP  42   4.716  -1.919   6.605
  306    HZ3  TRP  42           HZ3      TRP  42   1.486  -2.911   9.256
  307    HH2  TRP  42           HH2      TRP  42   3.753  -1.976   8.891
  308    H    HIS  43           H        HIS  43  -0.750  -6.917   6.236
  309    HA   HIS  43           HA       HIS  43   1.891  -7.009   7.503
  310   1HB   HIS  43          1HB       HIS  43  -0.870  -7.152   8.353
  311   2HB   HIS  43          2HB       HIS  43   0.049  -8.490   9.045
  312    HD1  HIS  43           HD1      HIS  43   1.924  -7.919  10.721
  313    HD2  HIS  43           HD2      HIS  43   0.018  -4.551   9.171
  314    HE1  HIS  43           HE1      HIS  43   2.698  -5.952  12.116
  315    H    ARG  44           H        ARG  44   0.488  -8.921   5.229
  316    HA   ARG  44           HA       ARG  44   1.704 -11.407   6.364
  317   1HB   ARG  44          1HB       ARG  44  -0.858 -10.997   5.297
  318   2HB   ARG  44          2HB       ARG  44   0.031 -11.832   4.024
  319   1HG   ARG  44          1HG       ARG  44   0.329 -13.736   5.284
  320   2HG   ARG  44          2HG       ARG  44   0.364 -12.847   6.807
  321   1HD   ARG  44          1HD       ARG  44  -2.066 -12.476   6.660
  322   2HD   ARG  44          2HD       ARG  44  -2.110 -13.347   5.126
  323    HE   ARG  44           HE       ARG  44  -0.933 -15.116   6.948
  324   1HH1  ARG  44          1HH1      ARG  44  -3.726 -15.108   5.476
  325   2HH1  ARG  44          2HH1      ARG  44  -4.748 -15.495   6.820
  326   1HH2  ARG  44          1HH2      ARG  44  -2.306 -14.856   9.198
  327   2HH2  ARG  44          2HH2      ARG  44  -3.943 -15.353   8.928
  328    H    ILE  45           H        ILE  45   1.460  -9.327   3.511
  329    HA   ILE  45           HA       ILE  45   3.176 -10.947   1.843
  330    HB   ILE  45           HB       ILE  45   2.382  -8.027   1.742
  331   1HG1  ILE  45          1HG1      ILE  45   1.622  -9.957  -0.371
  332   2HG1  ILE  45          2HG1      ILE  45   0.904 -10.257   1.212
  333   1HG2  ILE  45          1HG2      ILE  45   4.637  -8.492   0.685
  334   2HG2  ILE  45          2HG2      ILE  45   3.815  -9.614  -0.401
  335   3HG2  ILE  45          3HG2      ILE  45   3.407  -7.902  -0.435
  336   1HD1  ILE  45          1HD1      ILE  45   0.652  -7.516   0.938
  337   2HD1  ILE  45          2HD1      ILE  45   0.359  -8.103  -0.699
  338   3HD1  ILE  45          3HD1      ILE  45  -0.627  -8.693   0.640
  339    H    ARG  46           H        ARG  46   3.714  -8.337   4.157
  340    HA   ARG  46           HA       ARG  46   6.572  -8.161   3.490
  341   1HB   ARG  46          1HB       ARG  46   4.658  -6.571   4.936
  342   2HB   ARG  46          2HB       ARG  46   6.041  -6.905   5.979
  343   1HG   ARG  46          1HG       ARG  46   7.199  -6.334   3.513
  344   2HG   ARG  46          2HG       ARG  46   5.870  -5.179   3.630
  345   1HD   ARG  46          1HD       ARG  46   7.990  -4.321   4.641
  346   2HD   ARG  46          2HD       ARG  46   6.664  -4.414   5.800
  347    HE   ARG  46           HE       ARG  46   8.719  -6.582   5.633
  348   1HH1  ARG  46          1HH1      ARG  46   7.870  -3.789   7.303
  349   2HH1  ARG  46          2HH1      ARG  46   7.918  -4.507   8.879
  350   1HH2  ARG  46          1HH2      ARG  46   8.338  -7.735   7.687
  351   2HH2  ARG  46          2HH2      ARG  46   8.184  -6.740   9.096
  352    H    THR  47           H        THR  47   4.996 -10.571   4.834
  353    HA   THR  47           HA       THR  47   7.097 -11.040   6.911
  354    HB   THR  47           HB       THR  47   4.636 -12.570   7.292
  355    HG1  THR  47           HG1      THR  47   4.589  -9.753   7.194
  356   1HG2  THR  47          1HG2      THR  47   6.377 -10.736   8.942
  357   2HG2  THR  47          2HG2      THR  47   4.910 -11.471   9.589
  358   3HG2  THR  47          3HG2      THR  47   6.242 -12.491   9.046
  359    H    ASP  48           H        ASP  48   5.259 -12.297   4.218
  360    HA   ASP  48           HA       ASP  48   6.846 -14.826   4.408
  361   1HB   ASP  48          1HB       ASP  48   4.023 -14.302   3.491
  362   2HB   ASP  48          2HB       ASP  48   4.909 -15.709   2.901
  363    H    GLU  49           H        GLU  49   4.952 -13.283   1.800
  364    HA   GLU  49           HA       GLU  49   7.094 -13.883  -0.107
  365   1HB   GLU  49          2HB       GLU  49   5.577 -13.113  -1.791
  366   2HB   GLU  49          1HB       GLU  49   4.600 -13.996  -0.618
  367   1HG   GLU  49          1HG       GLU  49   4.427 -11.580   0.502
  368   2HG   GLU  49          2HG       GLU  49   4.720 -11.063  -1.159
  369    H    ASN  50           H        ASN  50   6.499 -11.387  -1.674
  370    HA   ASN  50           HA       ASN  50   8.308  -9.586  -0.120
  371   1HB   ASN  50          1HB       ASN  50   7.978 -10.187  -3.033
  372   2HB   ASN  50          2HB       ASN  50   8.511  -8.570  -2.571
  373   2HD2  ASN  50          2HD2      ASN  50  10.741  -8.384  -2.385
  374   1HD2  ASN  50          1HD2      ASN  50  11.800  -9.652  -1.995
  375    H    GLY  51           H        GLY  51   7.696  -7.476   0.257
  376   1HA   GLY  51          2HA       GLY  51   6.058  -5.836   0.739
  377   2HA   GLY  51          1HA       GLY  51   4.877  -6.797  -0.141
  378    H    LEU  52           H        LEU  52   5.612  -6.950  -2.650
  379    HA   LEU  52           HA       LEU  52   6.450  -4.218  -3.500
  380   1HB   LEU  52          1HB       LEU  52   6.441  -6.863  -4.981
  381   2HB   LEU  52          2HB       LEU  52   6.785  -5.318  -5.754
  382    HG   LEU  52           HG       LEU  52   8.400  -6.791  -3.678
  383   1HD1  LEU  52          1HD1      LEU  52   8.664  -5.882  -6.476
  384   2HD1  LEU  52          2HD1      LEU  52  10.092  -5.605  -5.477
  385   3HD1  LEU  52          3HD1      LEU  52   9.442  -7.235  -5.653
  386   1HD2  LEU  52          1HD2      LEU  52   8.328  -3.816  -4.221
  387   2HD2  LEU  52          2HD2      LEU  52   8.314  -4.646  -2.664
  388   3HD2  LEU  52          3HD2      LEU  52   9.790  -4.605  -3.628
  389    H    CYS  53           H        CYS  53   5.184  -3.143  -5.094
  390    HA   CYS  53           HA       CYS  53   2.343  -3.512  -4.808
  391   1HB   CYS  53          1HB       CYS  53   3.436  -1.303  -5.214
  392   2HB   CYS  53          2HB       CYS  53   3.827  -1.835  -6.849
  393    HA   PRO  54           HA       PRO  54   2.137  -6.499  -8.144
  394   1HB   PRO  54          1HB       PRO  54  -0.492  -7.156  -7.695
  395   2HB   PRO  54          2HB       PRO  54   0.852  -7.818  -6.748
  396   1HG   PRO  54          2HG       PRO  54  -1.148  -5.745  -5.972
  397   2HG   PRO  54          1HG       PRO  54  -0.232  -6.860  -4.944
  398   1HD   PRO  54          1HD       PRO  54   0.349  -4.117  -5.353
  399   2HD   PRO  54          2HD       PRO  54   1.421  -5.313  -4.593
  400    H    ALA  55           H        ALA  55   0.642  -3.489  -7.779
  401    HA   ALA  55           HA       ALA  55  -0.838  -3.752 -10.352
  402   1HB   ALA  55          1HB       ALA  55  -1.042  -1.819  -8.046
  403   2HB   ALA  55          3HB       ALA  55  -1.757  -1.454  -9.617
  404   3HB   ALA  55          2HB       ALA  55  -2.290  -2.871  -8.712
  405    H    CYS  56           H        CYS  56   1.965  -2.218  -8.920
  406    HA   CYS  56           HA       CYS  56   2.602  -1.131 -11.582
  407   1HB   CYS  56          1HB       CYS  56   2.604   1.118 -11.069
  408   2HB   CYS  56          2HB       CYS  56   1.276   0.587 -10.043
  409    H    ARG  57           H        ARG  57   3.679  -3.087  -9.465
  410    HA   ARG  57           HA       ARG  57   5.782  -3.660  -8.554
  411   1HB   ARG  57          1HB       ARG  57   6.292  -2.393 -11.220
  412   2HB   ARG  57          2HB       ARG  57   7.675  -2.780 -10.196
  413   1HG   ARG  57          1HG       ARG  57   6.463  -5.107  -9.943
  414   2HG   ARG  57          2HG       ARG  57   5.670  -4.630 -11.446
  415   1HD   ARG  57          1HD       ARG  57   8.050  -4.082 -12.298
  416   2HD   ARG  57          2HD       ARG  57   8.615  -5.039 -10.931
  417    HE   ARG  57           HE       ARG  57   6.617  -6.436 -12.523
  418   1HH1  ARG  57          1HH1      ARG  57   9.391  -7.115 -11.087
  419   2HH1  ARG  57          2HH1      ARG  57  10.226  -7.796 -12.444
  420   1HH2  ARG  57          1HH2      ARG  57   7.920  -6.652 -14.770
  421   2HH2  ARG  57          2HH2      ARG  57   9.392  -7.533 -14.529
  422    H    LYS  58           H        LYS  58   5.853  -2.417  -6.640
  423    HA   LYS  58           HA       LYS  58   7.778  -0.197  -6.669
  424   1HB   LYS  58          1HB       LYS  58   5.293   0.645  -7.059
  425   2HB   LYS  58          2HB       LYS  58   5.168   0.393  -5.318
  426   1HG   LYS  58          2HG       LYS  58   5.859   2.668  -5.620
  427   2HG   LYS  58          1HG       LYS  58   7.285   1.782  -5.082
  428   1HD   LYS  58          1HD       LYS  58   8.115   1.622  -7.357
  429   2HD   LYS  58          2HD       LYS  58   6.632   2.339  -7.989
  430   1HE   LYS  58          1HE       LYS  58   7.474   4.184  -6.094
  431   2HE   LYS  58          2HE       LYS  58   8.981   3.648  -6.835
  432   1HZ   LYS  58          1HZ       LYS  58   6.587   4.605  -8.311
  433   2HZ   LYS  58          2HZ       LYS  58   7.995   5.513  -8.031
  434   3HZ   LYS  58          3HZ       LYS  58   8.063   4.126  -9.004
  435    HA   PRO  59           HA       PRO  59   8.489  -2.327  -2.851
  436   1HB   PRO  59          1HB       PRO  59  10.464  -0.641  -1.908
  437   2HB   PRO  59          2HB       PRO  59  10.738  -1.904  -3.121
  438   1HG   PRO  59          2HG       PRO  59  10.514   1.052  -3.502
  439   2HG   PRO  59          1HG       PRO  59  11.422  -0.136  -4.452
  440   1HD   PRO  59          1HD       PRO  59   8.959   0.986  -5.203
  441   2HD   PRO  59          2HD       PRO  59   9.657  -0.501  -5.883
  442    H    TYR  60           H        TYR  60   6.779  -2.054  -1.471
  443    HA   TYR  60           HA       TYR  60   5.376   0.140  -0.674
  444   1HB   TYR  60          2HB       TYR  60   6.316  -2.040   1.214
  445   2HB   TYR  60          1HB       TYR  60   4.910  -1.008   1.456
  446    HD1  TYR  60           HD1      TYR  60   4.676  -1.214  -1.867
  447    HD2  TYR  60           HD2      TYR  60   4.516  -3.896   1.488
  448    HE1  TYR  60           HE1      TYR  60   3.300  -2.794  -3.193
  449    HE2  TYR  60           HE2      TYR  60   3.141  -5.473   0.159
  450    HH   TYR  60           HH       TYR  60   1.445  -4.975  -2.104
  451    HA   PRO  61           HA       PRO  61   8.401   2.719   1.294
  452   1HB   PRO  61          1HB       PRO  61   6.661   4.726   1.993
  453   2HB   PRO  61          2HB       PRO  61   7.296   4.508   0.353
  454   1HG   PRO  61          2HG       PRO  61   4.572   3.912   1.404
  455   2HG   PRO  61          1HG       PRO  61   5.078   4.293  -0.250
  456   1HD   PRO  61          1HD       PRO  61   4.478   1.712   0.763
  457   2HD   PRO  61          2HD       PRO  61   5.266   2.074  -0.788
  458    H    GLU  62           H        GLU  62   9.019   3.206   3.446
  459    HA   GLU  62           HA       GLU  62   7.348   3.298   5.719
  460   1HB   GLU  62          1HB       GLU  62   7.725   1.059   6.707
  461   2HB   GLU  62          2HB       GLU  62   6.814   0.946   5.202
  462   1HG   GLU  62          1HG       GLU  62   8.396  -0.392   4.331
  463   2HG   GLU  62          2HG       GLU  62   9.604   0.873   4.566
  464    H    ASP  63           H        ASP  63   8.649   3.247   7.747
  465    HA   ASP  63           HA       ASP  63  11.153   4.544   7.467
  466   1HB   ASP  63          2HB       ASP  63  11.430   4.191   9.858
  467   2HB   ASP  63          1HB       ASP  63   9.734   4.551   9.539
  468    HA   PRO  64           HA       PRO  64  13.962   1.250   6.735
  469   1HB   PRO  64          1HB       PRO  64  16.222   2.350   7.852
  470   2HB   PRO  64          2HB       PRO  64  15.548   2.871   6.299
  471   1HG   PRO  64          2HG       PRO  64  15.442   4.243   8.948
  472   2HG   PRO  64          1HG       PRO  64  15.383   4.941   7.320
  473   1HD   PRO  64          1HD       PRO  64  13.164   4.541   9.024
  474   2HD   PRO  64          2HD       PRO  64  13.090   4.896   7.286
  475    H    ALA  65           H        ALA  65  15.114   2.562   9.844
  476    HA   ALA  65           HA       ALA  65  15.733   1.386  11.797
  477   1HB   ALA  65          1HB       ALA  65  13.082  -0.007  11.426
  478   2HB   ALA  65          3HB       ALA  65  13.169   1.705  11.841
  479   3HB   ALA  65          2HB       ALA  65  13.854   0.498  12.930
  480    H    VAL  66           H        VAL  66  17.399   0.135  10.567
  481    HA   VAL  66           HA       VAL  66  16.702  -2.563   9.676
  482    HB   VAL  66           HB       VAL  66  19.141  -2.788   9.302
  483   1HG1  VAL  66          1HG1      VAL  66  17.677  -0.337   8.355
  484   2HG1  VAL  66          2HG1      VAL  66  19.346  -0.611   7.855
  485   3HG1  VAL  66          3HG1      VAL  66  18.100  -1.794   7.455
  486   1HG2  VAL  66          1HG2      VAL  66  19.216  -0.741  11.300
  487   2HG2  VAL  66          2HG2      VAL  66  20.576  -1.579  10.550
  488   3HG2  VAL  66          3HG2      VAL  66  19.950  -0.094   9.832
  489    H    TYR  67           H        TYR  67  19.508  -3.248  11.087
  490    HA   TYR  67           HA       TYR  67  19.058  -3.333  13.877
  491   1HB   TYR  67          1HB       TYR  67  18.405  -5.795  14.046
  492   2HB   TYR  67          2HB       TYR  67  17.125  -4.696  13.529
  493    HD1  TYR  67           HD1      TYR  67  16.344  -4.664  11.210
  494    HD2  TYR  67           HD2      TYR  67  19.450  -7.345  12.478
  495    HE1  TYR  67           HE1      TYR  67  16.085  -5.956   9.108
  496    HE2  TYR  67           HE2      TYR  67  19.192  -8.638  10.378
  497    HH   TYR  67           HH       TYR  67  18.164  -7.815   7.829
  498    H    LYS  68           H        LYS  68  20.792  -4.383  14.933
  499    HA   LYS  68           HA       LYS  68  23.054  -5.046  13.177
  500   1HB   LYS  68          2HB       LYS  68  24.380  -5.031  15.210
  501   2HB   LYS  68          1HB       LYS  68  23.308  -3.629  15.232
  502   1HG   LYS  68          1HG       LYS  68  21.677  -5.302  16.480
  503   2HG   LYS  68          2HG       LYS  68  23.182  -6.137  16.867
  504   1HD   LYS  68          2HD       LYS  68  23.424  -4.668  18.564
  505   2HD   LYS  68          1HD       LYS  68  23.765  -3.450  17.334
  506   1HE   LYS  68          1HE       LYS  68  21.955  -2.696  18.829
  507   2HE   LYS  68          2HE       LYS  68  21.356  -2.924  17.185
  508   1HZ   LYS  68          1HZ       LYS  68  21.035  -5.367  18.302
  509   2HZ   LYS  68          2HZ       LYS  68  20.671  -4.328  19.597
  510   3HZ   LYS  68          3HZ       LYS  68  19.813  -4.197  18.139
  511    HA   PRO  69           HA       PRO  69  21.954  -9.380  13.620
  512   1HB   PRO  69          1HB       PRO  69  23.725 -10.250  11.705
  513   2HB   PRO  69          2HB       PRO  69  22.131  -9.572  11.328
  514   1HG   PRO  69          2HG       PRO  69  24.821  -8.320  11.031
  515   2HG   PRO  69          1HG       PRO  69  23.328  -7.995  10.136
  516   1HD   PRO  69          1HD       PRO  69  24.383  -6.407  12.228
  517   2HD   PRO  69          2HD       PRO  69  22.742  -6.294  11.558
  518    H    LEU  70           H        LEU  70  25.161  -7.936  13.758
  519    HA   LEU  70           HA       LEU  70  26.092 -10.270  15.382
  520   1HB   LEU  70          1HB       LEU  70  27.434  -8.523  13.384
  521   2HB   LEU  70          2HB       LEU  70  28.389  -8.964  14.800
  522    HG   LEU  70           HG       LEU  70  26.886 -11.217  13.667
  523   1HD1  LEU  70          1HD1      LEU  70  27.684  -9.645  11.687
  524   2HD1  LEU  70          2HD1      LEU  70  29.256 -10.358  12.046
  525   3HD1  LEU  70          3HD1      LEU  70  27.902 -11.391  11.585
  526   1HD2  LEU  70          1HD2      LEU  70  28.956 -10.934  15.367
  527   2HD2  LEU  70          2HD2      LEU  70  28.729 -12.387  14.394
  528   3HD2  LEU  70          3HD2      LEU  70  29.858 -11.139  13.867
  529    H    SER  71           H        SER  71  24.762  -8.987  17.063
  530    HA   SER  71           HA       SER  71  25.281  -6.497  18.100
  531   1HB   SER  71          1HB       SER  71  24.916  -9.101  19.595
  532   2HB   SER  71          2HB       SER  71  24.943  -7.534  20.399
  533    HG   SER  71           HG       SER  71  22.876  -8.653  19.372
  534    H    GLN  72           H        GLN  72  27.184  -5.485  18.490
  535    HA   GLN  72           HA       GLN  72  29.433  -5.165  19.086
  536   1HB   GLN  72          1HB       GLN  72  28.738  -7.439  20.974
  537   2HB   GLN  72          2HB       GLN  72  30.163  -6.409  21.109
  538   1HG   GLN  72          1HG       GLN  72  27.612  -4.945  20.862
  539   2HG   GLN  72          2HG       GLN  72  27.778  -5.889  22.342
  540   2HE2  GLN  72          2HE2      GLN  72  28.608  -4.591  23.979
  541   1HE2  GLN  72          1HE2      GLN  72  29.819  -3.418  23.776
  542    H    GLU  73           H        GLU  73  31.550  -6.710  19.563
  543    HA   GLU  73           HA       GLU  73  31.452  -8.998  17.662
  544   1HB   GLU  73          1HB       GLU  73  33.096  -6.507  17.423
  545   2HB   GLU  73          2HB       GLU  73  33.819  -8.037  16.924
  546   1HG   GLU  73          1HG       GLU  73  32.078  -8.443  15.328
  547   2HG   GLU  73          2HG       GLU  73  31.097  -7.124  15.966
  548    H    GLU  74           H        GLU  74  33.294 -10.466  17.947
  549    HA   GLU  74           HA       GLU  74  35.005 -10.050  20.308
  550   1HB   GLU  74          2HB       GLU  74  34.263 -12.130  21.409
  551   2HB   GLU  74          1HB       GLU  74  32.932 -10.981  21.283
  552   1HG   GLU  74          1HG       GLU  74  32.996 -12.547  18.885
  553   2HG   GLU  74          2HG       GLU  74  33.046 -13.643  20.266
  554    H    LEU  75           H        LEU  75  36.471 -10.147  18.367
  555    HA   LEU  75           HA       LEU  75  37.935 -11.312  16.944
  556   1HB   LEU  75          2HB       LEU  75  37.600 -13.730  18.688
  557   2HB   LEU  75          1HB       LEU  75  39.071 -13.055  17.988
  558    HG   LEU  75           HG       LEU  75  37.472 -11.914  20.296
  559   1HD1  LEU  75          1HD1      LEU  75  39.316 -13.893  20.377
  560   2HD1  LEU  75          2HD1      LEU  75  40.384 -12.492  20.453
  561   3HD1  LEU  75          3HD1      LEU  75  39.127 -12.708  21.670
  562   1HD2  LEU  75          1HD2      LEU  75  39.635 -10.776  18.553
  563   2HD2  LEU  75          2HD2      LEU  75  38.216  -9.979  19.233
  564   3HD2  LEU  75          3HD2      LEU  75  39.601 -10.344  20.262
  565    H    GLN  76           H        GLN  76  36.397 -11.449  15.188
  566    HA   GLN  76           HA       GLN  76  34.581 -13.727  15.014
  567   1HB   GLN  76          1HB       GLN  76  35.120 -11.290  13.501
  568   2HB   GLN  76          2HB       GLN  76  34.857 -12.680  12.447
  569   1HG   GLN  76          1HG       GLN  76  32.935 -12.849  14.533
  570   2HG   GLN  76          2HG       GLN  76  32.913 -11.186  13.943
  571   2HE2  GLN  76          2HE2      GLN  76  33.723 -11.832  11.200
  572   1HE2  GLN  76          1HE2      GLN  76  32.412 -12.627  10.472
  573    H    ARG  77           H        ARG  77  37.860 -13.556  14.770
  574    HA   ARG  77           HA       ARG  77  38.291 -15.145  12.374
  575   1HB   ARG  77          1HB       ARG  77  39.981 -14.309  14.717
  576   2HB   ARG  77          2HB       ARG  77  40.565 -15.562  13.622
  577   1HG   ARG  77          2HG       ARG  77  41.322 -13.850  12.346
  578   2HG   ARG  77          1HG       ARG  77  39.635 -13.631  11.879
  579   1HD   ARG  77          1HD       ARG  77  39.785 -12.333  14.325
  580   2HD   ARG  77          2HD       ARG  77  41.330 -11.944  13.570
  581    HE   ARG  77           HE       ARG  77  38.918 -10.713  12.860
  582   1HH1  ARG  77          1HH1      ARG  77  41.927 -10.885  11.672
  583   2HH1  ARG  77          2HH1      ARG  77  41.515 -10.871   9.990
  584   1HH2  ARG  77          1HH2      ARG  77  38.137 -11.429  10.537
  585   2HH2  ARG  77          2HH2      ARG  77  39.370 -11.179   9.347
  586    H    ILE  78           H        ILE  78  37.489 -15.827  15.696
  587    HA   ILE  78           HA       ILE  78  38.000 -18.730  15.226
  588    HB   ILE  78           HB       ILE  78  37.320 -17.396  17.858
  589   1HG1  ILE  78          1HG1      ILE  78  39.375 -16.391  16.900
  590   2HG1  ILE  78          2HG1      ILE  78  39.742 -17.386  18.310
  591   1HG2  ILE  78          1HG2      ILE  78  38.047 -20.110  16.930
  592   2HG2  ILE  78          2HG2      ILE  78  38.893 -19.563  18.377
  593   3HG2  ILE  78          3HG2      ILE  78  37.131 -19.616  18.353
  594   1HD1  ILE  78          1HD1      ILE  78  39.832 -19.176  16.166
  595   2HD1  ILE  78          2HD1      ILE  78  40.609 -17.718  15.549
  596   3HD1  ILE  78          3HD1      ILE  78  41.220 -18.491  17.012

  No H/Q in entry =         596
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1 -11.925  12.474  14.734
    2    H2   MET   1           H2       MET   1 -11.689  14.156  14.702
    3    H3   MET   1           H3       MET   1 -11.142  13.249  16.027
    4    HA   MET   1           HA       MET   1 -13.049  14.036  16.933
    5   1HB   MET   1          1HB       MET   1 -15.149  14.163  15.326
    6   2HB   MET   1          2HB       MET   1 -13.929  15.435  15.299
    7   1HG   MET   1          1HG       MET   1 -13.152  13.265  13.545
    8   2HG   MET   1          2HG       MET   1 -14.763  13.844  13.130
    9   1HE   MET   1          1HE       MET   1 -11.874  13.705  11.970
   10   2HE   MET   1          2HE       MET   1 -11.387  15.230  11.218
   11   3HE   MET   1          3HE       MET   1 -10.832  14.826  12.841
   12    H    SER   2           H        SER   2 -12.296  11.518  17.266
   13    HA   SER   2           HA       SER   2 -13.093   9.382  17.817
   14   1HB   SER   2          1HB       SER   2 -15.917   9.827  17.319
   15   2HB   SER   2          2HB       SER   2 -15.094   9.506  18.844
   16    HG   SER   2           HG       SER   2 -16.004  11.550  18.926
   17    H    ARG   3           H        ARG   3 -14.293   7.482  16.826
   18    HA   ARG   3           HA       ARG   3 -13.954   7.592  13.898
   19   1HB   ARG   3          1HB       ARG   3 -14.241   5.433  15.948
   20   2HB   ARG   3          2HB       ARG   3 -14.725   5.066  14.292
   21   1HG   ARG   3          1HG       ARG   3 -12.320   6.392  13.950
   22   2HG   ARG   3          2HG       ARG   3 -12.040   5.440  15.408
   23   1HD   ARG   3          1HD       ARG   3 -13.101   4.349  12.782
   24   2HD   ARG   3          2HD       ARG   3 -11.448   4.165  13.370
   25    HE   ARG   3           HE       ARG   3 -13.233   3.187  15.369
   26   1HH1  ARG   3          1HH1      ARG   3 -11.704   2.479  12.372
   27   2HH1  ARG   3          2HH1      ARG   3 -12.078   0.788  12.423
   28   1HH2  ARG   3          1HH2      ARG   3 -13.894   1.007  15.368
   29   2HH2  ARG   3          2HH2      ARG   3 -13.318  -0.045  14.118
   30    H    SER   4           H        SER   4 -15.789   8.936  13.380
   31    HA   SER   4           HA       SER   4 -18.430   8.697  14.165
   32   1HB   SER   4          1HB       SER   4 -17.061   9.578  11.719
   33   2HB   SER   4          2HB       SER   4 -18.705   9.015  11.434
   34    HG   SER   4           HG       SER   4 -19.252  10.405  13.296
   35    HA   PRO   5           HA       PRO   5 -19.867   4.767  12.842
   36   1HB   PRO   5          1HB       PRO   5 -22.491   5.372  12.280
   37   2HB   PRO   5          2HB       PRO   5 -21.845   5.241  13.925
   38   1HG   PRO   5          2HG       PRO   5 -22.567   7.689  12.380
   39   2HG   PRO   5          1HG       PRO   5 -22.539   7.437  14.133
   40   1HD   PRO   5          1HD       PRO   5 -20.564   8.788  12.627
   41   2HD   PRO   5          2HD       PRO   5 -20.391   8.223  14.304
   42    H    ASP   6           H        ASP   6 -21.144   3.705  10.930
   43    HA   ASP   6           HA       ASP   6 -21.223   5.223   8.437
   44   1HB   ASP   6          1HB       ASP   6 -19.549   3.726   7.295
   45   2HB   ASP   6          2HB       ASP   6 -18.838   4.809   8.492
   46    H    ALA   7           H        ALA   7 -22.622   4.233   7.008
   47    HA   ALA   7           HA       ALA   7 -23.789   1.648   7.904
   48   1HB   ALA   7          1HB       ALA   7 -25.713   2.711   7.412
   49   2HB   ALA   7          2HB       ALA   7 -25.246   2.647   5.712
   50   3HB   ALA   7          3HB       ALA   7 -24.835   4.058   6.686
   51    H    LYS   8           H        LYS   8 -24.854   0.825   5.433
   52    HA   LYS   8           HA       LYS   8 -22.815  -0.742   4.327
   53   1HB   LYS   8          1HB       LYS   8 -25.513  -0.415   3.850
   54   2HB   LYS   8          2HB       LYS   8 -24.794   0.156   2.344
   55   1HG   LYS   8          1HG       LYS   8 -24.065  -1.917   1.760
   56   2HG   LYS   8          2HG       LYS   8 -23.590  -2.318   3.410
   57   1HD   LYS   8          1HD       LYS   8 -26.390  -2.131   3.491
   58   2HD   LYS   8          2HD       LYS   8 -26.034  -2.999   1.996
   59   1HE   LYS   8          1HE       LYS   8 -24.274  -4.147   3.789
   60   2HE   LYS   8          2HE       LYS   8 -25.705  -3.864   4.782
   61   1HZ   LYS   8          1HZ       LYS   8 -26.180  -4.951   2.130
   62   2HZ   LYS   8          2HZ       LYS   8 -25.407  -5.992   3.227
   63   3HZ   LYS   8          3HZ       LYS   8 -26.921  -5.330   3.610
   64    H    GLU   9           H        GLU   9 -24.200   2.115   2.663
   65    HA   GLU   9           HA       GLU   9 -23.201   3.568   1.108
   66   1HB   GLU   9          1HB       GLU   9 -21.689   3.571   3.492
   67   2HB   GLU   9          2HB       GLU   9 -20.514   3.513   2.178
   68   1HG   GLU   9          2HG       GLU   9 -20.884   5.812   2.396
   69   2HG   GLU   9          1HG       GLU   9 -22.009   5.378   1.108
   70    H    ASP  10           H        ASP  10 -20.473   3.623   0.229
   71    HA   ASP  10           HA       ASP  10 -20.054   0.902  -0.895
   72   1HB   ASP  10          1HB       ASP  10 -21.415   2.541  -2.430
   73   2HB   ASP  10          2HB       ASP  10 -19.844   3.294  -2.701
   74    HA   PRO  11           HA       PRO  11 -16.170   3.044   0.424
   75   1HB   PRO  11          1HB       PRO  11 -15.433   1.141   2.266
   76   2HB   PRO  11          2HB       PRO  11 -16.437   2.548   2.660
   77   1HG   PRO  11          2HG       PRO  11 -17.246  -0.305   2.345
   78   2HG   PRO  11          1HG       PRO  11 -18.004   0.977   3.304
   79   1HD   PRO  11          1HD       PRO  11 -18.901   0.034   0.788
   80   2HD   PRO  11          2HD       PRO  11 -19.446   1.514   1.604
   81    H    VAL  12           H        VAL  12 -14.197   2.509  -0.525
   82    HA   VAL  12           HA       VAL  12 -13.939   0.641  -2.546
   83    HB   VAL  12           HB       VAL  12 -11.691   1.371  -0.651
   84   1HG1  VAL  12          1HG1      VAL  12 -11.883   0.311  -3.460
   85   2HG1  VAL  12          2HG1      VAL  12 -10.490   1.280  -2.977
   86   3HG1  VAL  12          3HG1      VAL  12 -10.847  -0.229  -2.139
   87   1HG2  VAL  12          1HG2      VAL  12 -13.017   2.891  -2.901
   88   2HG2  VAL  12          2HG2      VAL  12 -12.668   3.448  -1.264
   89   3HG2  VAL  12          3HG2      VAL  12 -11.354   3.223  -2.420
   90    H    GLU  13           H        GLU  13 -12.720  -1.431  -2.619
   91    HA   GLU  13           HA       GLU  13 -12.819  -2.954  -0.057
   92   1HB   GLU  13          1HB       GLU  13 -13.685  -4.920  -1.439
   93   2HB   GLU  13          2HB       GLU  13 -14.841  -3.622  -1.144
   94   1HG   GLU  13          1HG       GLU  13 -14.400  -2.676  -3.354
   95   2HG   GLU  13          2HG       GLU  13 -13.159  -3.894  -3.652
   96    H    CYS  14           H        CYS  14 -11.393  -4.851  -0.074
   97    HA   CYS  14           HA       CYS  14  -8.875  -4.332  -1.332
   98   1HB   CYS  14          1HB       CYS  14  -9.384  -5.716   0.795
   99   2HB   CYS  14          2HB       CYS  14  -9.703  -7.046  -0.319
  100    HA   PRO  15           HA       PRO  15 -10.033  -6.174  -5.245
  101   1HB   PRO  15          1HB       PRO  15  -7.755  -5.373  -6.558
  102   2HB   PRO  15          2HB       PRO  15  -9.144  -4.311  -6.268
  103   1HG   PRO  15          2HG       PRO  15  -6.485  -4.328  -4.923
  104   2HG   PRO  15          1HG       PRO  15  -7.632  -2.994  -5.124
  105   1HD   PRO  15          1HD       PRO  15  -7.247  -4.524  -2.766
  106   2HD   PRO  15          2HD       PRO  15  -8.580  -3.393  -3.079
  107    H    LEU  16           H        LEU  16  -8.014  -7.364  -2.994
  108    HA   LEU  16           HA       LEU  16  -6.914  -9.423  -4.866
  109   1HB   LEU  16          1HB       LEU  16  -5.423  -9.366  -2.406
  110   2HB   LEU  16          2HB       LEU  16  -4.843  -9.121  -4.050
  111    HG   LEU  16           HG       LEU  16  -6.248  -6.906  -2.562
  112   1HD1  LEU  16          1HD1      LEU  16  -3.401  -7.854  -2.325
  113   2HD1  LEU  16          2HD1      LEU  16  -3.780  -6.139  -2.157
  114   3HD1  LEU  16          3HD1      LEU  16  -4.498  -7.314  -1.054
  115   1HD2  LEU  16          1HD2      LEU  16  -4.523  -7.218  -4.997
  116   2HD2  LEU  16          2HD2      LEU  16  -6.000  -6.276  -4.790
  117   3HD2  LEU  16          3HD2      LEU  16  -4.478  -5.688  -4.119
  118    H    CYS  17           H        CYS  17  -8.619  -8.759  -1.897
  119    HA   CYS  17           HA       CYS  17  -9.091 -11.691  -1.648
  120   1HB   CYS  17          1HB       CYS  17  -8.734 -11.699   0.694
  121   2HB   CYS  17          2HB       CYS  17  -7.385 -10.761   0.057
  122    H    MET  18           H        MET  18 -10.436  -8.833  -2.308
  123    HA   MET  18           HA       MET  18 -12.582  -7.927  -2.110
  124   1HB   MET  18          1HB       MET  18 -13.027 -10.121  -3.254
  125   2HB   MET  18          2HB       MET  18 -13.350 -10.825  -1.668
  126   1HG   MET  18          1HG       MET  18 -14.972  -8.712  -1.476
  127   2HG   MET  18          2HG       MET  18 -14.961  -8.854  -3.234
  128   1HE   MET  18          1HE       MET  18 -15.247 -10.847   0.084
  129   2HE   MET  18          2HE       MET  18 -16.639  -9.787  -0.118
  130   3HE   MET  18          3HE       MET  18 -16.865 -11.533  -0.113
  131    H    GLU  19           H        GLU  19 -12.376  -6.780  -0.153
  132    HA   GLU  19           HA       GLU  19 -13.889  -7.931   2.094
  133   1HB   GLU  19          1HB       GLU  19 -11.012  -7.883   2.082
  134   2HB   GLU  19          2HB       GLU  19 -11.605  -6.764   3.311
  135   1HG   GLU  19          1HG       GLU  19 -13.248  -8.755   3.882
  136   2HG   GLU  19          2HG       GLU  19 -12.003  -9.729   3.096
  137    HA   PRO  20           HA       PRO  20 -15.025  -3.737   2.655
  138   1HB   PRO  20          1HB       PRO  20 -15.389  -3.632   5.379
  139   2HB   PRO  20          2HB       PRO  20 -16.505  -4.453   4.271
  140   1HG   PRO  20          2HG       PRO  20 -14.505  -5.639   6.141
  141   2HG   PRO  20          1HG       PRO  20 -16.013  -6.333   5.524
  142   1HD   PRO  20          1HD       PRO  20 -13.411  -6.945   4.598
  143   2HD   PRO  20          2HD       PRO  20 -14.933  -7.358   3.781
  144    H    LEU  21           H        LEU  21 -13.664  -1.992   2.498
  145    HA   LEU  21           HA       LEU  21 -11.153  -1.945   4.036
  146   1HB   LEU  21          1HB       LEU  21 -12.343  -0.252   1.846
  147   2HB   LEU  21          2HB       LEU  21 -10.942   0.316   2.756
  148    HG   LEU  21           HG       LEU  21 -11.051  -2.397   1.417
  149   1HD1  LEU  21          1HD1      LEU  21 -10.252   0.308   0.378
  150   2HD1  LEU  21          2HD1      LEU  21  -9.396  -1.127  -0.186
  151   3HD1  LEU  21          3HD1      LEU  21 -11.134  -0.981  -0.439
  152   1HD2  LEU  21          1HD2      LEU  21  -9.433  -1.998   3.313
  153   2HD2  LEU  21          2HD2      LEU  21  -8.654  -2.382   1.779
  154   3HD2  LEU  21          3HD2      LEU  21  -8.705  -0.714   2.349
  155    H    GLU  22           H        GLU  22 -11.201  -1.155   6.082
  156    HA   GLU  22           HA       GLU  22 -13.356   0.319   7.210
  157   1HB   GLU  22          1HB       GLU  22 -10.829  -0.701   8.077
  158   2HB   GLU  22          2HB       GLU  22 -10.944   0.984   8.588
  159   1HG   GLU  22          2HG       GLU  22 -11.918  -0.386  10.327
  160   2HG   GLU  22          1HG       GLU  22 -13.229   0.468   9.513
  161    H    ILE  23           H        ILE  23 -12.552   2.572   8.399
  162    HA   ILE  23           HA       ILE  23 -12.495   4.505   6.261
  163    HB   ILE  23           HB       ILE  23 -12.275   4.662   9.267
  164   1HG1  ILE  23          2HG1      ILE  23 -14.360   6.100   8.803
  165   2HG1  ILE  23          1HG1      ILE  23 -14.275   5.479   7.154
  166   1HG2  ILE  23          1HG2      ILE  23 -11.962   6.924   7.271
  167   2HG2  ILE  23          2HG2      ILE  23 -12.329   7.167   8.979
  168   3HG2  ILE  23          3HG2      ILE  23 -10.803   6.423   8.503
  169   1HD1  ILE  23          1HD1      ILE  23 -14.024   3.412   9.243
  170   2HD1  ILE  23          2HD1      ILE  23 -15.589   4.227   9.209
  171   3HD1  ILE  23          3HD1      ILE  23 -14.988   3.410   7.766
  172    H    ASP  24           H        ASP  24 -10.042   3.349   8.574
  173    HA   ASP  24           HA       ASP  24  -7.995   5.082   7.370
  174   1HB   ASP  24          1HB       ASP  24  -7.767   2.894   9.460
  175   2HB   ASP  24          2HB       ASP  24  -6.476   4.004   9.000
  176    H    ASP  25           H        ASP  25  -9.346   2.055   6.686
  177    HA   ASP  25           HA       ASP  25  -6.872   0.929   5.529
  178   1HB   ASP  25          1HB       ASP  25  -9.695  -0.048   5.894
  179   2HB   ASP  25          2HB       ASP  25  -8.626  -0.857   4.748
  180    H    ILE  26           H        ILE  26  -9.408   2.991   4.562
  181    HA   ILE  26           HA       ILE  26  -9.339   2.230   1.743
  182    HB   ILE  26           HB       ILE  26 -11.446   3.046   2.390
  183   1HG1  ILE  26          1HG1      ILE  26 -10.029   5.507   1.361
  184   2HG1  ILE  26          2HG1      ILE  26 -10.526   4.161   0.338
  185   1HG2  ILE  26          1HG2      ILE  26  -9.831   5.039   3.954
  186   2HG2  ILE  26          2HG2      ILE  26 -11.519   5.375   3.565
  187   3HG2  ILE  26          3HG2      ILE  26 -11.099   3.953   4.519
  188   1HD1  ILE  26          1HD1      ILE  26 -12.549   5.431   2.154
  189   2HD1  ILE  26          2HD1      ILE  26 -12.127   6.244   0.644
  190   3HD1  ILE  26          3HD1      ILE  26 -12.796   4.612   0.611
  191    H    ASN  27           H        ASN  27  -7.891   4.638   3.858
  192    HA   ASN  27           HA       ASN  27  -6.479   5.815   1.501
  193   1HB   ASN  27          1HB       ASN  27  -7.722   7.020   3.720
  194   2HB   ASN  27          2HB       ASN  27  -5.990   7.173   4.018
  195   2HD2  ASN  27          2HD2      ASN  27  -8.631   8.308   2.042
  196   1HD2  ASN  27          1HD2      ASN  27  -7.721   9.369   1.080
  197    H    PHE  28           H        PHE  28  -6.008   3.328   3.437
  198    HA   PHE  28           HA       PHE  28  -3.177   3.967   4.117
  199   1HB   PHE  28          1HB       PHE  28  -4.296   3.086   6.024
  200   2HB   PHE  28          2HB       PHE  28  -5.117   1.853   5.069
  201    HD1  PHE  28           HD1      PHE  28  -1.552   2.973   5.513
  202    HD2  PHE  28           HD2      PHE  28  -4.338  -0.296   5.463
  203    HE1  PHE  28           HE1      PHE  28   0.301   1.385   5.954
  204    HE2  PHE  28           HE2      PHE  28  -2.484  -1.884   5.903
  205    HZ   PHE  28           HZ       PHE  28  -0.165  -1.042   6.150
  206    H    PHE  29           H        PHE  29  -2.505   3.755   1.858
  207    HA   PHE  29           HA       PHE  29  -2.706   0.998   0.761
  208   1HB   PHE  29          1HB       PHE  29  -1.545   2.261  -1.256
  209   2HB   PHE  29          2HB       PHE  29  -3.279   2.420  -0.983
  210    HD1  PHE  29           HD1      PHE  29   0.017   4.067  -0.558
  211    HD2  PHE  29           HD2      PHE  29  -4.249   4.470  -0.185
  212    HE1  PHE  29           HE1      PHE  29   0.268   6.519  -0.254
  213    HE2  PHE  29           HE2      PHE  29  -3.998   6.914   0.122
  214    HZ   PHE  29           HZ       PHE  29  -1.737   7.942   0.085
  215    HA   PRO  30           HA       PRO  30   1.510   0.341   1.893
  216   1HB   PRO  30          1HB       PRO  30   1.844  -2.002   0.499
  217   2HB   PRO  30          2HB       PRO  30   0.952  -1.895   2.027
  218   1HG   PRO  30          2HG       PRO  30  -0.105  -2.226  -0.738
  219   2HG   PRO  30          1HG       PRO  30  -0.831  -2.706   0.805
  220   1HD   PRO  30          1HD       PRO  30  -1.517  -0.418  -0.730
  221   2HD   PRO  30          2HD       PRO  30  -2.027  -0.759   0.937
  222    H    CYS  31           H        CYS  31   0.389   1.095  -1.216
  223    HA   CYS  31           HA       CYS  31   3.198   1.436  -2.167
  224   1HB   CYS  31          1HB       CYS  31   2.003  -0.576  -3.200
  225   2HB   CYS  31          2HB       CYS  31   0.934   0.590  -3.981
  226    H    THR  32           H        THR  32   3.312   3.051  -3.985
  227    HA   THR  32           HA       THR  32   1.609   5.358  -3.339
  228    HB   THR  32           HB       THR  32   3.144   6.603  -4.782
  229    HG1  THR  32           HG1      THR  32   4.227   5.608  -6.267
  230   1HG2  THR  32          1HG2      THR  32   3.967   4.960  -2.543
  231   2HG2  THR  32          2HG2      THR  32   5.322   5.257  -3.631
  232   3HG2  THR  32          3HG2      THR  32   4.434   6.614  -2.938
  233    H    CYS  33           H        CYS  33   2.132   3.129  -6.055
  234    HA   CYS  33           HA       CYS  33   0.795   4.432  -8.115
  235   1HB   CYS  33          1HB       CYS  33   0.241   2.263  -9.028
  236   2HB   CYS  33          2HB       CYS  33   1.817   2.136  -8.249
  237    H    GLY  34           H        GLY  34  -0.574   3.170  -5.161
  238   1HA   GLY  34          2HA       GLY  34  -3.216   4.229  -6.050
  239   2HA   GLY  34          1HA       GLY  34  -2.695   4.105  -4.370
  240    H    TYR  35           H        TYR  35  -1.605   1.334  -4.886
  241    HA   TYR  35           HA       TYR  35  -4.055  -0.195  -5.515
  242   1HB   TYR  35          1HB       TYR  35  -1.496  -0.778  -6.055
  243   2HB   TYR  35          2HB       TYR  35  -1.601  -1.534  -4.466
  244    HD1  TYR  35           HD1      TYR  35  -4.001  -1.161  -7.326
  245    HD2  TYR  35           HD2      TYR  35  -1.961  -3.837  -4.655
  246    HE1  TYR  35           HE1      TYR  35  -5.207  -3.082  -8.329
  247    HE2  TYR  35           HE2      TYR  35  -3.166  -5.756  -5.658
  248    HH   TYR  35           HH       TYR  35  -4.963  -5.477  -8.568
  249    H    GLN  36           H        GLN  36  -4.308   1.449  -3.254
  250    HA   GLN  36           HA       GLN  36  -3.703   0.542  -0.735
  251   1HB   GLN  36          1HB       GLN  36  -6.309   1.098  -0.297
  252   2HB   GLN  36          2HB       GLN  36  -5.096   2.351  -0.553
  253   1HG   GLN  36          1HG       GLN  36  -5.839   2.833  -2.676
  254   2HG   GLN  36          2HG       GLN  36  -6.363   1.178  -2.982
  255   2HE2  GLN  36          2HE2      GLN  36  -7.373   4.297  -1.747
  256   1HE2  GLN  36          1HE2      GLN  36  -8.985   3.868  -1.432
  257    H    ILE  37           H        ILE  37  -3.783  -1.441   0.164
  258    HA   ILE  37           HA       ILE  37  -5.937  -3.312  -0.735
  259    HB   ILE  37           HB       ILE  37  -4.461  -5.134  -0.254
  260   1HG1  ILE  37          1HG1      ILE  37  -2.664  -3.051   1.037
  261   2HG1  ILE  37          2HG1      ILE  37  -3.569  -4.311   1.877
  262   1HG2  ILE  37          1HG2      ILE  37  -3.977  -3.750  -2.325
  263   2HG2  ILE  37          2HG2      ILE  37  -2.684  -2.972  -1.412
  264   3HG2  ILE  37          3HG2      ILE  37  -2.615  -4.703  -1.736
  265   1HD1  ILE  37          1HD1      ILE  37  -1.830  -5.290  -0.297
  266   2HD1  ILE  37          2HD1      ILE  37  -0.971  -4.573   1.067
  267   3HD1  ILE  37          3HD1      ILE  37  -2.069  -5.929   1.330
  268    H    CYS  38           H        CYS  38  -6.018  -5.109   1.275
  269    HA   CYS  38           HA       CYS  38  -7.018  -3.475   3.522
  270   1HB   CYS  38          1HB       CYS  38  -8.294  -5.347   4.164
  271   2HB   CYS  38          2HB       CYS  38  -8.296  -5.438   2.405
  272    H    ARG  39           H        ARG  39  -6.518  -4.358   5.795
  273    HA   ARG  39           HA       ARG  39  -3.652  -4.399   6.133
  274   1HB   ARG  39          1HB       ARG  39  -5.990  -4.172   7.813
  275   2HB   ARG  39          2HB       ARG  39  -4.843  -5.309   8.522
  276   1HG   ARG  39          1HG       ARG  39  -3.463  -3.632   9.112
  277   2HG   ARG  39          2HG       ARG  39  -3.437  -3.018   7.458
  278   1HD   ARG  39          1HD       ARG  39  -4.349  -1.257   8.795
  279   2HD   ARG  39          2HD       ARG  39  -5.714  -1.978   7.944
  280    HE   ARG  39           HE       ARG  39  -6.366  -3.071  10.035
  281   1HH1  ARG  39          1HH1      ARG  39  -4.676  -3.629  11.962
  282   2HH1  ARG  39          2HH1      ARG  39  -4.366  -2.207  12.902
  283   1HH2  ARG  39          1HH2      ARG  39  -5.563  -0.027  10.482
  284   2HH2  ARG  39          2HH2      ARG  39  -4.869  -0.166  12.063
  285    H    PHE  40           H        PHE  40  -6.012  -6.894   5.697
  286    HA   PHE  40           HA       PHE  40  -4.422  -8.997   6.948
  287   1HB   PHE  40          1HB       PHE  40  -6.959  -9.006   6.622
  288   2HB   PHE  40          2HB       PHE  40  -6.636  -9.376   4.927
  289    HD1  PHE  40           HD1      PHE  40  -5.752 -10.512   8.383
  290    HD2  PHE  40           HD2      PHE  40  -6.317 -11.598   4.267
  291    HE1  PHE  40           HE1      PHE  40  -5.423 -12.899   8.969
  292    HE2  PHE  40           HE2      PHE  40  -5.988 -13.985   4.852
  293    HZ   PHE  40           HZ       PHE  40  -5.541 -14.635   7.202
  294    H    CYS  41           H        CYS  41  -4.548  -7.475   3.839
  295    HA   CYS  41           HA       CYS  41  -3.074  -9.680   2.538
  296   1HB   CYS  41          1HB       CYS  41  -4.312  -7.100   1.597
  297   2HB   CYS  41          2HB       CYS  41  -3.133  -7.938   0.588
  298    H    TRP  42           H        TRP  42  -2.527  -6.641   4.093
  299    HA   TRP  42           HA       TRP  42   0.156  -6.288   2.936
  300   1HB   TRP  42          1HB       TRP  42  -1.270  -4.331   3.509
  301   2HB   TRP  42          2HB       TRP  42  -1.213  -4.810   5.205
  302    HD1  TRP  42           HD1      TRP  42   1.226  -3.879   2.356
  303    HE1  TRP  42           HE1      TRP  42   3.268  -2.703   3.400
  304    HE3  TRP  42           HE3      TRP  42   0.043  -4.283   7.309
  305    HZ2  TRP  42           HZ2      TRP  42   4.268  -2.024   5.991
  306    HZ3  TRP  42           HZ3      TRP  42   1.558  -3.364   9.041
  307    HH2  TRP  42           HH2      TRP  42   3.666  -2.237   8.389
  308    H    HIS  43           H        HIS  43  -1.335  -7.608   5.821
  309    HA   HIS  43           HA       HIS  43   1.114  -7.718   7.378
  310   1HB   HIS  43          1HB       HIS  43  -1.667  -8.370   7.755
  311   2HB   HIS  43          2HB       HIS  43  -0.671  -9.737   8.257
  312    HD1  HIS  43           HD1      HIS  43   0.102  -9.578  10.609
  313    HD2  HIS  43           HD2      HIS  43  -0.454  -5.800   8.937
  314    HE1  HIS  43           HE1      HIS  43   0.629  -7.903  12.434
  315    H    ARG  44           H        ARG  44   0.033  -9.431   4.682
  316    HA   ARG  44           HA       ARG  44   1.570 -11.869   5.441
  317   1HB   ARG  44          1HB       ARG  44  -0.811 -11.397   3.890
  318   2HB   ARG  44          2HB       ARG  44   0.407 -12.166   2.872
  319   1HG   ARG  44          1HG       ARG  44   0.733 -13.907   4.618
  320   2HG   ARG  44          2HG       ARG  44  -0.550 -13.161   5.572
  321   1HD   ARG  44          1HD       ARG  44  -2.098 -13.485   3.616
  322   2HD   ARG  44          2HD       ARG  44  -0.816 -14.393   2.817
  323    HE   ARG  44           HE       ARG  44  -0.955 -15.832   5.033
  324   1HH1  ARG  44          1HH1      ARG  44  -3.333 -14.749   2.831
  325   2HH1  ARG  44          2HH1      ARG  44  -4.620 -15.662   3.545
  326   1HH2  ARG  44          1HH2      ARG  44  -2.693 -16.813   6.189
  327   2HH2  ARG  44          2HH2      ARG  44  -4.258 -16.829   5.446
  328    H    ILE  45           H        ILE  45   1.386  -9.284   3.023
  329    HA   ILE  45           HA       ILE  45   3.535 -10.322   1.394
  330    HB   ILE  45           HB       ILE  45   2.332  -7.557   1.665
  331   1HG1  ILE  45          1HG1      ILE  45   2.174  -9.520  -0.631
  332   2HG1  ILE  45          2HG1      ILE  45   1.006  -9.524   0.689
  333   1HG2  ILE  45          1HG2      ILE  45   4.831  -8.336   0.496
  334   2HG2  ILE  45          2HG2      ILE  45   3.716  -7.909  -0.803
  335   3HG2  ILE  45          3HG2      ILE  45   4.063  -6.750   0.476
  336   1HD1  ILE  45          1HD1      ILE  45   0.804  -6.966   0.173
  337   2HD1  ILE  45          2HD1      ILE  45   1.503  -7.405  -1.386
  338   3HD1  ILE  45          3HD1      ILE  45  -0.027  -8.118  -0.872
  339    H    ARG  46           H        ARG  46   3.390  -8.224   4.223
  340    HA   ARG  46           HA       ARG  46   6.269  -7.596   3.998
  341   1HB   ARG  46          1HB       ARG  46   4.062  -6.768   5.880
  342   2HB   ARG  46          2HB       ARG  46   5.753  -6.446   6.266
  343   1HG   ARG  46          1HG       ARG  46   5.267  -5.710   3.532
  344   2HG   ARG  46          2HG       ARG  46   4.050  -4.947   4.557
  345   1HD   ARG  46          2HD       ARG  46   6.039  -3.510   4.371
  346   2HD   ARG  46          1HD       ARG  46   5.842  -4.080   6.028
  347    HE   ARG  46           HE       ARG  46   7.529  -5.960   5.048
  348   1HH1  ARG  46          1HH1      ARG  46   8.343  -4.188   2.815
  349   2HH1  ARG  46          2HH1      ARG  46   9.664  -3.298   3.496
  350   1HH2  ARG  46          1HH2      ARG  46   8.861  -4.104   6.773
  351   2HH2  ARG  46          2HH2      ARG  46   9.957  -3.250   5.739
  352    H    THR  47           H        THR  47   5.191 -10.394   4.507
  353    HA   THR  47           HA       THR  47   6.768 -10.875   7.000
  354    HB   THR  47           HB       THR  47   5.042 -12.971   7.009
  355    HG1  THR  47           HG1      THR  47   3.615 -12.419   5.533
  356   1HG2  THR  47          1HG2      THR  47   5.634 -11.307   8.832
  357   2HG2  THR  47          2HG2      THR  47   4.353 -10.275   8.197
  358   3HG2  THR  47          3HG2      THR  47   3.962 -11.868   8.846
  359    H    ASP  48           H        ASP  48   5.418 -12.484   4.090
  360    HA   ASP  48           HA       ASP  48   8.006 -13.969   3.911
  361   1HB   ASP  48          1HB       ASP  48   6.590 -15.873   2.933
  362   2HB   ASP  48          2HB       ASP  48   6.465 -15.615   4.674
  363    H    GLU  49           H        GLU  49   7.192 -11.519   2.539
  364    HA   GLU  49           HA       GLU  49   7.274 -12.569  -0.258
  365   1HB   GLU  49          1HB       GLU  49   5.194 -11.016   0.935
  366   2HB   GLU  49          2HB       GLU  49   6.030  -9.993  -0.234
  367   1HG   GLU  49          2HG       GLU  49   4.506 -11.052  -1.628
  368   2HG   GLU  49          1HG       GLU  49   5.872 -12.163  -1.750
  369    H    ASN  50           H        ASN  50   7.489  -9.993  -1.456
  370    HA   ASN  50           HA       ASN  50  10.218  -9.245  -0.512
  371   1HB   ASN  50          1HB       ASN  50   9.344  -9.909  -3.035
  372   2HB   ASN  50          2HB       ASN  50   9.283  -8.147  -3.080
  373   2HD2  ASN  50          2HD2      ASN  50  11.253  -7.104  -3.473
  374   1HD2  ASN  50          1HD2      ASN  50  12.779  -7.832  -3.317
  375    H    GLY  51           H        GLY  51   7.373  -8.286   0.351
  376   1HA   GLY  51          2HA       GLY  51   8.050  -5.668   1.123
  377   2HA   GLY  51          1HA       GLY  51   6.389  -6.247   0.977
  378    H    LEU  52           H        LEU  52   6.944  -6.842  -1.958
  379    HA   LEU  52           HA       LEU  52   7.095  -4.044  -2.980
  380   1HB   LEU  52          1HB       LEU  52   7.405  -6.742  -4.329
  381   2HB   LEU  52          2HB       LEU  52   7.244  -5.244  -5.241
  382    HG   LEU  52           HG       LEU  52   9.468  -6.072  -3.375
  383   1HD1  LEU  52          1HD1      LEU  52   9.186  -5.248  -6.263
  384   2HD1  LEU  52          2HD1      LEU  52  10.744  -5.142  -5.441
  385   3HD1  LEU  52          3HD1      LEU  52   9.935  -6.701  -5.598
  386   1HD2  LEU  52          1HD2      LEU  52   8.494  -3.333  -4.080
  387   2HD2  LEU  52          2HD2      LEU  52   9.290  -3.895  -2.610
  388   3HD2  LEU  52          3HD2      LEU  52  10.237  -3.601  -4.068
  389    H    CYS  53           H        CYS  53   5.559  -3.482  -4.711
  390    HA   CYS  53           HA       CYS  53   2.843  -4.412  -4.039
  391   1HB   CYS  53          1HB       CYS  53   3.043  -2.047  -4.118
  392   2HB   CYS  53          2HB       CYS  53   3.982  -2.098  -5.608
  393    HA   PRO  54           HA       PRO  54   3.021  -6.988  -7.683
  394   1HB   PRO  54          1HB       PRO  54   0.524  -8.083  -7.354
  395   2HB   PRO  54          2HB       PRO  54   1.952  -8.609  -6.445
  396   1HG   PRO  54          2HG       PRO  54  -0.358  -6.967  -5.524
  397   2HG   PRO  54          1HG       PRO  54   0.728  -8.002  -4.582
  398   1HD   PRO  54          1HD       PRO  54   0.845  -5.173  -4.750
  399   2HD   PRO  54          2HD       PRO  54   2.091  -6.237  -4.061
  400    H    ALA  55           H        ALA  55   0.720  -4.483  -7.019
  401    HA   ALA  55           HA       ALA  55  -0.777  -4.728  -9.497
  402   1HB   ALA  55          1HB       ALA  55  -0.839  -3.068  -7.122
  403   2HB   ALA  55          3HB       ALA  55  -1.005  -2.082  -8.575
  404   3HB   ALA  55          2HB       ALA  55  -2.129  -3.407  -8.275
  405    H    CYS  56           H        CYS  56   2.018  -2.807  -8.443
  406    HA   CYS  56           HA       CYS  56   2.384  -2.020 -11.299
  407   1HB   CYS  56          2HB       CYS  56   2.971   0.195 -10.703
  408   2HB   CYS  56          1HB       CYS  56   1.553  -0.159  -9.718
  409    H    ARG  57           H        ARG  57   3.821  -2.992  -8.274
  410    HA   ARG  57           HA       ARG  57   5.847  -4.221  -8.033
  411   1HB   ARG  57          1HB       ARG  57   5.744  -4.185 -10.731
  412   2HB   ARG  57          2HB       ARG  57   7.102  -3.088 -10.474
  413   1HG   ARG  57          1HG       ARG  57   8.153  -4.803  -8.993
  414   2HG   ARG  57          2HG       ARG  57   6.839  -5.910  -9.400
  415   1HD   ARG  57          1HD       ARG  57   7.506  -6.067 -11.654
  416   2HD   ARG  57          2HD       ARG  57   8.472  -4.593 -11.564
  417    HE   ARG  57           HE       ARG  57   9.403  -6.763  -9.822
  418   1HH1  ARG  57          1HH1      ARG  57  11.615  -5.328 -10.344
  419   2HH1  ARG  57          2HH1      ARG  57  12.273  -5.870 -11.851
  420   1HH2  ARG  57          1HH2      ARG  57   9.345  -7.420 -12.874
  421   2HH2  ARG  57          2HH2      ARG  57  10.988  -7.057 -13.284
  422    H    LYS  58           H        LYS  58   5.919  -2.521  -6.347
  423    HA   LYS  58           HA       LYS  58   8.366  -0.932  -6.620
  424   1HB   LYS  58          1HB       LYS  58   5.773   0.287  -7.003
  425   2HB   LYS  58          2HB       LYS  58   6.531   0.935  -5.547
  426   1HG   LYS  58          1HG       LYS  58   8.662   1.166  -6.994
  427   2HG   LYS  58          2HG       LYS  58   7.585   0.956  -8.373
  428   1HD   LYS  58          1HD       LYS  58   6.221   2.823  -6.902
  429   2HD   LYS  58          2HD       LYS  58   7.895   3.267  -6.570
  430   1HE   LYS  58          1HE       LYS  58   8.017   4.244  -8.591
  431   2HE   LYS  58          2HE       LYS  58   7.732   2.675  -9.344
  432   1HZ   LYS  58          1HZ       LYS  58   5.300   3.647  -8.342
  433   2HZ   LYS  58          2HZ       LYS  58   6.021   4.881  -9.257
  434   3HZ   LYS  58          3HZ       LYS  58   5.737   3.360  -9.960
  435    HA   PRO  59           HA       PRO  59   8.493  -2.014  -2.386
  436   1HB   PRO  59          1HB       PRO  59  10.292  -0.118  -1.512
  437   2HB   PRO  59          2HB       PRO  59  10.747  -1.566  -2.429
  438   1HG   PRO  59          2HG       PRO  59  10.537   1.268  -3.362
  439   2HG   PRO  59          1HG       PRO  59  11.588  -0.032  -3.951
  440   1HD   PRO  59          1HD       PRO  59   9.239   0.841  -5.220
  441   2HD   PRO  59          2HD       PRO  59  10.045  -0.717  -5.515
  442    H    TYR  60           H        TYR  60   6.755  -1.592  -1.117
  443    HA   TYR  60           HA       TYR  60   5.102   0.579  -0.942
  444   1HB   TYR  60          1HB       TYR  60   6.116  -0.865   1.523
  445   2HB   TYR  60          2HB       TYR  60   4.564  -0.050   1.339
  446    HD1  TYR  60           HD1      TYR  60   4.321  -1.053  -1.668
  447    HD2  TYR  60           HD2      TYR  60   5.005  -2.987   2.105
  448    HE1  TYR  60           HE1      TYR  60   3.326  -3.144  -2.558
  449    HE2  TYR  60           HE2      TYR  60   4.011  -5.073   1.219
  450    HH   TYR  60           HH       TYR  60   2.095  -5.329  -1.165
  451    HA   PRO  61           HA       PRO  61   7.509   3.944   0.584
  452   1HB   PRO  61          1HB       PRO  61   5.419   5.595   1.265
  453   2HB   PRO  61          2HB       PRO  61   5.943   5.320  -0.405
  454   1HG   PRO  61          2HG       PRO  61   3.529   4.278   0.997
  455   2HG   PRO  61          1HG       PRO  61   3.793   4.551  -0.734
  456   1HD   PRO  61          1HD       PRO  61   3.892   2.049   0.600
  457   2HD   PRO  61          2HD       PRO  61   4.435   2.377  -1.060
  458    H    GLU  62           H        GLU  62   8.520   3.758   2.566
  459    HA   GLU  62           HA       GLU  62   6.869   4.050   5.006
  460   1HB   GLU  62          1HB       GLU  62   8.160   2.127   6.068
  461   2HB   GLU  62          2HB       GLU  62   6.959   1.660   4.865
  462   1HG   GLU  62          1HG       GLU  62   8.914   1.795   3.166
  463   2HG   GLU  62          2HG       GLU  62   9.959   1.747   4.586
  464    H    ASP  63           H        ASP  63   7.833   5.658   6.123
  465    HA   ASP  63           HA       ASP  63  10.469   5.661   7.079
  466   1HB   ASP  63          1HB       ASP  63  11.272   7.613   5.471
  467   2HB   ASP  63          2HB       ASP  63  11.512   5.925   5.019
  468    HA   PRO  64           HA       PRO  64   8.690   9.096   9.156
  469   1HB   PRO  64          1HB       PRO  64  10.973  10.113  10.303
  470   2HB   PRO  64          2HB       PRO  64  10.158   8.645  10.873
  471   1HG   PRO  64          2HG       PRO  64  12.686   8.901   9.311
  472   2HG   PRO  64          1HG       PRO  64  12.176   7.614  10.416
  473   1HD   PRO  64          1HD       PRO  64  12.105   7.492   7.592
  474   2HD   PRO  64          2HD       PRO  64  11.288   6.372   8.705
  475    H    ALA  65           H        ALA  65  10.694   9.423   6.489
  476    HA   ALA  65           HA       ALA  65  10.843  11.204   4.951
  477   1HB   ALA  65          1HB       ALA  65   9.477  13.096   5.195
  478   2HB   ALA  65          3HB       ALA  65   9.561  13.047   6.956
  479   3HB   ALA  65          2HB       ALA  65   8.587  11.862   6.086
  480    H    VAL  66           H        VAL  66  12.930  10.556   6.787
  481    HA   VAL  66           HA       VAL  66  14.195  13.246   7.041
  482    HB   VAL  66           HB       VAL  66  15.263  12.517   9.149
  483   1HG1  VAL  66          1HG1      VAL  66  12.987  13.670   9.068
  484   2HG1  VAL  66          2HG1      VAL  66  12.277  12.079   9.344
  485   3HG1  VAL  66          3HG1      VAL  66  13.350  12.788  10.552
  486   1HG2  VAL  66          1HG2      VAL  66  13.903   9.980   8.393
  487   2HG2  VAL  66          2HG2      VAL  66  15.424  10.226   9.250
  488   3HG2  VAL  66          3HG2      VAL  66  13.892  10.391  10.108
  489    H    TYR  67           H        TYR  67  16.548  11.574   8.233
  490    HA   TYR  67           HA       TYR  67  18.512  10.647   7.341
  491   1HB   TYR  67          1HB       TYR  67  16.252   9.179   6.157
  492   2HB   TYR  67          2HB       TYR  67  17.732   9.098   5.202
  493    HD1  TYR  67           HD1      TYR  67  17.266   9.355   8.906
  494    HD2  TYR  67           HD2      TYR  67  18.651   6.975   5.610
  495    HE1  TYR  67           HE1      TYR  67  18.203   7.699  10.497
  496    HE2  TYR  67           HE2      TYR  67  19.588   5.320   7.200
  497    HH   TYR  67           HH       TYR  67  20.364   5.766  10.072
  498    H    LYS  68           H        LYS  68  18.198  13.195   6.489
  499    HA   LYS  68           HA       LYS  68  19.632  13.277   4.019
  500   1HB   LYS  68          1HB       LYS  68  17.511  12.644   2.989
  501   2HB   LYS  68          2HB       LYS  68  16.678  13.945   3.840
  502   1HG   LYS  68          1HG       LYS  68  17.376  15.512   2.360
  503   2HG   LYS  68          2HG       LYS  68  19.017  14.863   2.318
  504   1HD   LYS  68          1HD       LYS  68  17.293  12.954   1.078
  505   2HD   LYS  68          2HD       LYS  68  16.943  14.535   0.378
  506   1HE   LYS  68          1HE       LYS  68  18.724  13.956  -0.959
  507   2HE   LYS  68          2HE       LYS  68  19.620  14.686   0.374
  508   1HZ   LYS  68          1HZ       LYS  68  18.929  11.815   0.388
  509   2HZ   LYS  68          2HZ       LYS  68  20.315  12.377  -0.419
  510   3HZ   LYS  68          3HZ       LYS  68  20.147  12.618   1.254
  511    HA   PRO  69           HA       PRO  69  19.391  17.091   6.681
  512   1HB   PRO  69          1HB       PRO  69  21.963  16.932   7.640
  513   2HB   PRO  69          2HB       PRO  69  20.567  16.205   8.455
  514   1HG   PRO  69          2HG       PRO  69  22.721  14.877   6.874
  515   2HG   PRO  69          1HG       PRO  69  21.729  14.224   8.189
  516   1HD   PRO  69          1HD       PRO  69  21.347  13.727   5.431
  517   2HD   PRO  69          2HD       PRO  69  20.176  13.385   6.723
  518    H    LEU  70           H        LEU  70  21.774  18.600   6.741
  519    HA   LEU  70           HA       LEU  70  22.253  19.025   3.821
  520   1HB   LEU  70          1HB       LEU  70  21.434  20.807   5.842
  521   2HB   LEU  70          2HB       LEU  70  23.121  21.210   5.519
  522    HG   LEU  70           HG       LEU  70  22.374  21.010   2.997
  523   1HD1  LEU  70          1HD1      LEU  70  20.066  20.206   3.752
  524   2HD1  LEU  70          2HD1      LEU  70  19.773  21.860   4.288
  525   3HD1  LEU  70          3HD1      LEU  70  20.076  21.527   2.584
  526   1HD2  LEU  70          1HD2      LEU  70  22.973  23.075   4.599
  527   2HD2  LEU  70          2HD2      LEU  70  22.376  23.320   2.957
  528   3HD2  LEU  70          3HD2      LEU  70  21.270  23.448   4.326
  529    H    SER  71           H        SER  71  23.964  17.369   3.891
  530    HA   SER  71           HA       SER  71  26.262  17.713   5.628
  531   1HB   SER  71          1HB       SER  71  27.288  15.965   4.238
  532   2HB   SER  71          2HB       SER  71  25.641  15.518   4.670
  533    HG   SER  71           HG       SER  71  25.503  16.926   2.442
  534    H    GLN  72           H        GLN  72  28.439  17.474   3.912
  535    HA   GLN  72           HA       GLN  72  28.509  20.208   2.736
  536   1HB   GLN  72          1HB       GLN  72  30.248  19.033   4.451
  537   2HB   GLN  72          2HB       GLN  72  30.988  18.582   2.914
  538   1HG   GLN  72          1HG       GLN  72  31.911  20.642   2.892
  539   2HG   GLN  72          2HG       GLN  72  30.292  21.259   2.562
  540   2HE2  GLN  72          2HE2      GLN  72  29.218  22.408   4.242
  541   1HE2  GLN  72          1HE2      GLN  72  29.904  22.685   5.769
  542    H    GLU  73           H        GLU  73  27.120  18.851   1.012
  543    HA   GLU  73           HA       GLU  73  27.047  18.099  -1.208
  544   1HB   GLU  73          1HB       GLU  73  29.756  19.354  -0.975
  545   2HB   GLU  73          2HB       GLU  73  29.396  18.394  -2.410
  546   1HG   GLU  73          1HG       GLU  73  27.197  20.184  -1.722
  547   2HG   GLU  73          2HG       GLU  73  28.697  21.065  -2.011
  548    H    GLU  74           H        GLU  74  27.794  16.271   1.008
  549    HA   GLU  74           HA       GLU  74  28.445  14.025   1.217
  550   1HB   GLU  74          1HB       GLU  74  27.453  14.277  -1.347
  551   2HB   GLU  74          2HB       GLU  74  29.065  13.618  -1.630
  552   1HG   GLU  74          1HG       GLU  74  28.363  12.020   0.390
  553   2HG   GLU  74          2HG       GLU  74  26.744  12.400  -0.200
  554    H    LEU  75           H        LEU  75  30.406  12.860   1.438
  555    HA   LEU  75           HA       LEU  75  32.828  14.409   0.642
  556   1HB   LEU  75          1HB       LEU  75  32.459  13.894   3.081
  557   2HB   LEU  75          2HB       LEU  75  32.610  12.182   2.686
  558    HG   LEU  75           HG       LEU  75  34.792  13.687   1.520
  559   1HD1  LEU  75          1HD1      LEU  75  34.029  14.284   4.323
  560   2HD1  LEU  75          2HD1      LEU  75  35.728  13.890   4.059
  561   3HD1  LEU  75          3HD1      LEU  75  34.989  15.235   3.190
  562   1HD2  LEU  75          1HD2      LEU  75  34.289  11.269   3.151
  563   2HD2  LEU  75          2HD2      LEU  75  35.375  11.495   1.780
  564   3HD2  LEU  75          3HD2      LEU  75  35.870  12.012   3.392
  565    H    GLN  76           H        GLN  76  32.565  13.452  -1.570
  566    HA   GLN  76           HA       GLN  76  34.320  11.220  -1.945
  567   1HB   GLN  76          1HB       GLN  76  32.047  10.204  -1.082
  568   2HB   GLN  76          2HB       GLN  76  31.516  10.495  -2.739
  569   1HG   GLN  76          2HG       GLN  76  32.405   8.382  -3.010
  570   2HG   GLN  76          1HG       GLN  76  33.861   9.339  -3.293
  571   2HE2  GLN  76          2HE2      GLN  76  35.615   8.944  -1.912
  572   1HE2  GLN  76          1HE2      GLN  76  35.524   8.047  -0.474
  573    H    ARG  77           H        ARG  77  35.074  12.938  -3.394
  574    HA   ARG  77           HA       ARG  77  35.152  14.083  -5.455
  575   1HB   ARG  77          1HB       ARG  77  34.425  11.273  -5.912
  576   2HB   ARG  77          2HB       ARG  77  33.951  12.341  -7.233
  577   1HG   ARG  77          1HG       ARG  77  36.605  13.014  -6.287
  578   2HG   ARG  77          2HG       ARG  77  36.521  11.312  -6.742
  579   1HD   ARG  77          1HD       ARG  77  35.099  12.609  -8.755
  580   2HD   ARG  77          2HD       ARG  77  36.462  13.682  -8.443
  581    HE   ARG  77           HE       ARG  77  36.618  11.078  -9.696
  582   1HH1  ARG  77          1HH1      ARG  77  38.308  13.807  -8.745
  583   2HH1  ARG  77          2HH1      ARG  77  39.848  13.026  -8.608
  584   1HH2  ARG  77          1HH2      ARG  77  38.565   9.834  -9.041
  585   2HH2  ARG  77          2HH2      ARG  77  39.994  10.776  -8.776
  586    H    ILE  78           H        ILE  78  33.436  14.128  -7.635
  587    HA   ILE  78           HA       ILE  78  31.506  15.255  -8.354
  588    HB   ILE  78           HB       ILE  78  30.238  13.807  -6.012
  589   1HG1  ILE  78          1HG1      ILE  78  30.538  12.840  -8.868
  590   2HG1  ILE  78          2HG1      ILE  78  31.632  12.362  -7.570
  591   1HG2  ILE  78          1HG2      ILE  78  28.919  15.604  -7.232
  592   2HG2  ILE  78          2HG2      ILE  78  29.048  14.606  -8.680
  593   3HG2  ILE  78          3HG2      ILE  78  28.194  13.996  -7.262
  594   1HD1  ILE  78          1HD1      ILE  78  29.640  11.546  -6.277
  595   2HD1  ILE  78          2HD1      ILE  78  28.643  11.882  -7.693
  596   3HD1  ILE  78          3HD1      ILE  78  29.914  10.662  -7.779

  No H/Q in entry =         596
  Start of MODEL   21
    1    H1   MET   1           H1       MET   1 -29.807 -10.246   0.395
    2    H2   MET   1           H2       MET   1 -30.123 -11.783   1.044
    3    H3   MET   1           H3       MET   1 -30.708 -11.379  -0.495
    4    HA   MET   1           HA       MET   1 -32.355 -10.005   0.316
    5   1HB   MET   1          1HB       MET   1 -31.915 -12.223   2.335
    6   2HB   MET   1          2HB       MET   1 -33.396 -11.271   2.223
    7   1HG   MET   1          1HG       MET   1 -34.088 -12.336   0.334
    8   2HG   MET   1          2HG       MET   1 -32.459 -12.409  -0.338
    9   1HE   MET   1          1HE       MET   1 -35.279 -13.958   0.817
   10   2HE   MET   1          2HE       MET   1 -34.914 -15.588   1.375
   11   3HE   MET   1          3HE       MET   1 -34.834 -14.239   2.507
   12    H    SER   2           H        SER   2 -32.395  -8.033   1.265
   13    HA   SER   2           HA       SER   2 -31.994  -6.317   2.813
   14   1HB   SER   2          1HB       SER   2 -32.528  -6.872   4.965
   15   2HB   SER   2          2HB       SER   2 -32.935  -8.429   4.250
   16    HG   SER   2           HG       SER   2 -31.130  -7.937   6.081
   17    H    ARG   3           H        ARG   3 -30.212  -5.978   4.846
   18    HA   ARG   3           HA       ARG   3 -27.936  -5.609   5.275
   19   1HB   ARG   3          2HB       ARG   3 -27.480  -8.091   3.594
   20   2HB   ARG   3          1HB       ARG   3 -26.407  -7.421   4.823
   21   1HG   ARG   3          1HG       ARG   3 -28.724  -7.717   6.249
   22   2HG   ARG   3          2HG       ARG   3 -28.821  -9.089   5.143
   23   1HD   ARG   3          1HD       ARG   3 -27.601  -9.972   6.943
   24   2HD   ARG   3          2HD       ARG   3 -26.332  -9.498   5.813
   25    HE   ARG   3           HE       ARG   3 -26.808  -7.275   7.493
   26   1HH1  ARG   3          1HH1      ARG   3 -26.966 -10.058   9.085
   27   2HH1  ARG   3          2HH1      ARG   3 -25.404 -10.009   9.832
   28   1HH2  ARG   3          1HH2      ARG   3 -24.244  -7.408   7.853
   29   2HH2  ARG   3          2HH2      ARG   3 -23.863  -8.509   9.135
   30    H    SER   4           H        SER   4 -29.049  -4.172   3.152
   31    HA   SER   4           HA       SER   4 -26.720  -4.035   1.287
   32   1HB   SER   4          1HB       SER   4 -29.040  -3.022  -0.018
   33   2HB   SER   4          2HB       SER   4 -28.080  -4.432  -0.457
   34    HG   SER   4           HG       SER   4 -30.461  -4.238   0.967
   35    HA   PRO   5           HA       PRO   5 -26.917   0.125   2.938
   36   1HB   PRO   5          1HB       PRO   5 -24.536   0.933   1.828
   37   2HB   PRO   5          2HB       PRO   5 -24.647  -0.026   3.315
   38   1HG   PRO   5          2HG       PRO   5 -23.848  -0.895   0.576
   39   2HG   PRO   5          1HG       PRO   5 -23.392  -1.576   2.147
   40   1HD   PRO   5          1HD       PRO   5 -25.334  -2.636   0.382
   41   2HD   PRO   5          2HD       PRO   5 -25.103  -3.101   2.082
   42    H    ASP   6           H        ASP   6 -26.133   2.351   1.629
   43    HA   ASP   6           HA       ASP   6 -27.846   2.336  -0.799
   44   1HB   ASP   6          1HB       ASP   6 -26.746   4.571   0.927
   45   2HB   ASP   6          2HB       ASP   6 -27.646   4.851  -0.564
   46    H    ALA   7           H        ALA   7 -25.190   1.174  -0.927
   47    HA   ALA   7           HA       ALA   7 -24.149   2.771  -3.163
   48   1HB   ALA   7          1HB       ALA   7 -21.979   2.054  -1.311
   49   2HB   ALA   7          3HB       ALA   7 -22.248   3.553  -2.202
   50   3HB   ALA   7          2HB       ALA   7 -23.078   3.277  -0.671
   51    H    LYS   8           H        LYS   8 -22.832   1.498  -4.559
   52    HA   LYS   8           HA       LYS   8 -22.880  -1.417  -3.914
   53   1HB   LYS   8          1HB       LYS   8 -23.215   0.158  -6.414
   54   2HB   LYS   8          2HB       LYS   8 -22.356  -1.376  -6.556
   55   1HG   LYS   8          1HG       LYS   8 -24.307  -2.489  -6.452
   56   2HG   LYS   8          2HG       LYS   8 -24.627  -1.785  -4.866
   57   1HD   LYS   8          1HD       LYS   8 -25.068  -0.019  -7.222
   58   2HD   LYS   8          2HD       LYS   8 -26.222  -1.333  -6.989
   59   1HE   LYS   8          1HE       LYS   8 -27.160  -0.324  -5.197
   60   2HE   LYS   8          2HE       LYS   8 -25.588   0.050  -4.491
   61   1HZ   LYS   8          1HZ       LYS   8 -25.436   1.846  -6.232
   62   2HZ   LYS   8          2HZ       LYS   8 -27.092   1.592  -6.519
   63   3HZ   LYS   8          3HZ       LYS   8 -26.566   2.103  -4.989
   64    H    GLU   9           H        GLU   9 -20.875   0.666  -6.034
   65    HA   GLU   9           HA       GLU   9 -18.476  -0.605  -4.773
   66   1HB   GLU   9          1HB       GLU   9 -19.195  -1.183  -7.270
   67   2HB   GLU   9          2HB       GLU   9 -18.382   0.346  -7.608
   68   1HG   GLU   9          2HG       GLU   9 -16.601  -1.142  -7.769
   69   2HG   GLU   9          1HG       GLU   9 -16.491  -0.669  -6.073
   70    H    ASP  10           H        ASP  10 -19.622   1.863  -3.903
   71    HA   ASP  10           HA       ASP  10 -18.102   4.030  -5.152
   72   1HB   ASP  10          1HB       ASP  10 -19.611   4.135  -2.530
   73   2HB   ASP  10          2HB       ASP  10 -19.163   5.485  -3.567
   74    HA   PRO  11           HA       PRO  11 -15.634   3.639  -1.084
   75   1HB   PRO  11          1HB       PRO  11 -16.008   1.371   0.420
   76   2HB   PRO  11          2HB       PRO  11 -16.940   2.860   0.654
   77   1HG   PRO  11          2HG       PRO  11 -17.795   0.292  -0.583
   78   2HG   PRO  11          1HG       PRO  11 -18.777   1.543   0.196
   79   1HD   PRO  11          1HD       PRO  11 -18.471   1.139  -2.599
   80   2HD   PRO  11          2HD       PRO  11 -19.232   2.536  -1.812
   81    H    VAL  12           H        VAL  12 -13.599   2.440  -0.632
   82    HA   VAL  12           HA       VAL  12 -12.851   0.722  -2.907
   83    HB   VAL  12           HB       VAL  12 -11.160   1.673  -0.576
   84   1HG1  VAL  12          1HG1      VAL  12 -10.522  -0.308  -2.226
   85   2HG1  VAL  12          2HG1      VAL  12 -10.133   1.026  -3.313
   86   3HG1  VAL  12          3HG1      VAL  12  -9.321   0.894  -1.752
   87   1HG2  VAL  12          1HG2      VAL  12 -12.027   2.965  -3.131
   88   2HG2  VAL  12          2HG2      VAL  12 -11.718   3.695  -1.555
   89   3HG2  VAL  12          3HG2      VAL  12 -10.369   3.233  -2.593
   90    H    GLU  13           H        GLU  13 -12.207  -1.453  -2.697
   91    HA   GLU  13           HA       GLU  13 -12.341  -2.668   0.007
   92   1HB   GLU  13          1HB       GLU  13 -13.815  -4.485  -0.852
   93   2HB   GLU  13          2HB       GLU  13 -14.611  -2.910  -0.872
   94   1HG   GLU  13          1HG       GLU  13 -13.830  -2.697  -3.294
   95   2HG   GLU  13          2HG       GLU  13 -13.406  -4.408  -3.208
   96    H    CYS  14           H        CYS  14 -10.768  -4.181   0.253
   97    HA   CYS  14           HA       CYS  14  -8.630  -4.583  -1.433
   98   1HB   CYS  14          1HB       CYS  14  -8.861  -5.476   0.893
   99   2HB   CYS  14          2HB       CYS  14  -9.882  -6.761   0.255
  100    HA   PRO  15           HA       PRO  15 -10.841  -6.684  -4.762
  101   1HB   PRO  15          1HB       PRO  15  -8.941  -6.104  -6.659
  102   2HB   PRO  15          2HB       PRO  15 -10.218  -4.975  -6.177
  103   1HG   PRO  15          2HG       PRO  15  -7.316  -4.923  -5.500
  104   2HG   PRO  15          1HG       PRO  15  -8.471  -3.583  -5.589
  105   1HD   PRO  15          1HD       PRO  15  -7.549  -4.838  -3.219
  106   2HD   PRO  15          2HD       PRO  15  -8.918  -3.714  -3.346
  107    H    LEU  16           H        LEU  16  -8.329  -7.632  -2.929
  108    HA   LEU  16           HA       LEU  16  -7.507  -9.829  -4.782
  109   1HB   LEU  16          2HB       LEU  16  -6.040  -9.305  -2.232
  110   2HB   LEU  16          1HB       LEU  16  -5.422  -9.862  -3.786
  111    HG   LEU  16           HG       LEU  16  -6.458  -7.056  -3.307
  112   1HD1  LEU  16          1HD1      LEU  16  -3.618  -8.124  -3.298
  113   2HD1  LEU  16          2HD1      LEU  16  -4.051  -6.415  -3.296
  114   3HD1  LEU  16          3HD1      LEU  16  -4.478  -7.432  -1.922
  115   1HD2  LEU  16          1HD2      LEU  16  -6.427  -8.038  -5.659
  116   2HD2  LEU  16          2HD2      LEU  16  -5.475  -6.567  -5.448
  117   3HD2  LEU  16          3HD2      LEU  16  -4.673  -8.137  -5.505
  118    H    CYS  17           H        CYS  17  -9.063  -9.081  -1.754
  119    HA   CYS  17           HA       CYS  17  -9.510 -12.004  -1.372
  120   1HB   CYS  17          1HB       CYS  17  -9.040 -11.924   0.920
  121   2HB   CYS  17          2HB       CYS  17  -7.808 -10.855   0.258
  122    H    MET  18           H        MET  18 -10.869  -9.065  -1.985
  123    HA   MET  18           HA       MET  18 -13.076  -8.331  -1.993
  124   1HB   MET  18          1HB       MET  18 -13.305 -11.265  -1.568
  125   2HB   MET  18          2HB       MET  18 -14.723 -10.302  -1.154
  126   1HG   MET  18          1HG       MET  18 -15.118  -9.699  -3.326
  127   2HG   MET  18          2HG       MET  18 -13.401  -9.633  -3.727
  128   1HE   MET  18          1HE       MET  18 -15.003 -10.400  -5.722
  129   2HE   MET  18          2HE       MET  18 -13.447 -11.155  -6.097
  130   3HE   MET  18          3HE       MET  18 -14.938 -12.080  -6.252
  131    H    GLU  19           H        GLU  19 -13.158  -6.823  -0.373
  132    HA   GLU  19           HA       GLU  19 -14.556  -7.374   2.040
  133   1HB   GLU  19          1HB       GLU  19 -11.921  -8.236   2.206
  134   2HB   GLU  19          2HB       GLU  19 -11.878  -6.644   2.964
  135   1HG   GLU  19          1HG       GLU  19 -13.852  -7.328   4.361
  136   2HG   GLU  19          2HG       GLU  19 -13.699  -8.953   3.693
  137    HA   PRO  20           HA       PRO  20 -14.618  -2.976   1.408
  138   1HB   PRO  20          1HB       PRO  20 -16.468  -2.436   3.368
  139   2HB   PRO  20          2HB       PRO  20 -16.891  -3.087   1.775
  140   1HG   PRO  20          2HG       PRO  20 -16.803  -4.482   4.409
  141   2HG   PRO  20          1HG       PRO  20 -17.774  -4.853   2.975
  142   1HD   PRO  20          1HD       PRO  20 -15.419  -6.203   3.776
  143   2HD   PRO  20          2HD       PRO  20 -16.211  -6.335   2.191
  144    H    LEU  21           H        LEU  21 -12.860  -1.841   2.163
  145    HA   LEU  21           HA       LEU  21 -11.811  -2.189   4.847
  146   1HB   LEU  21          1HB       LEU  21 -11.208  -0.179   2.661
  147   2HB   LEU  21          2HB       LEU  21 -10.331  -0.252   4.189
  148    HG   LEU  21           HG       LEU  21 -10.573  -2.869   2.899
  149   1HD1  LEU  21          1HD1      LEU  21  -9.277  -0.554   1.452
  150   2HD1  LEU  21          2HD1      LEU  21  -8.745  -2.217   1.204
  151   3HD1  LEU  21          3HD1      LEU  21 -10.399  -1.752   0.810
  152   1HD2  LEU  21          1HD2      LEU  21  -8.347  -1.133   3.996
  153   2HD2  LEU  21          2HD2      LEU  21  -9.065  -2.563   4.735
  154   3HD2  LEU  21          3HD2      LEU  21  -8.053  -2.727   3.300
  155    H    GLU  22           H        GLU  22 -11.461  -0.164   6.254
  156    HA   GLU  22           HA       GLU  22 -14.092   1.097   6.655
  157   1HB   GLU  22          1HB       GLU  22 -11.938   0.337   8.332
  158   2HB   GLU  22          2HB       GLU  22 -12.061   2.093   8.439
  159   1HG   GLU  22          1HG       GLU  22 -14.455   1.919   8.950
  160   2HG   GLU  22          2HG       GLU  22 -14.373   0.164   8.794
  161    H    ILE  23           H        ILE  23 -13.053   3.545   7.830
  162    HA   ILE  23           HA       ILE  23 -12.777   5.094   5.360
  163    HB   ILE  23           HB       ILE  23 -12.980   5.823   8.287
  164   1HG1  ILE  23          1HG1      ILE  23 -15.002   5.085   6.929
  165   2HG1  ILE  23          2HG1      ILE  23 -15.132   6.688   7.655
  166   1HG2  ILE  23          1HG2      ILE  23 -12.537   7.633   5.895
  167   2HG2  ILE  23          2HG2      ILE  23 -13.086   8.202   7.471
  168   3HG2  ILE  23          3HG2      ILE  23 -11.492   7.467   7.305
  169   1HD1  ILE  23          1HD1      ILE  23 -14.248   6.156   4.803
  170   2HD1  ILE  23          2HD1      ILE  23 -15.871   6.660   5.273
  171   3HD1  ILE  23          3HD1      ILE  23 -14.500   7.737   5.541
  172    H    ASP  24           H        ASP  24 -10.872   5.185   8.399
  173    HA   ASP  24           HA       ASP  24  -8.580   6.306   7.014
  174   1HB   ASP  24          1HB       ASP  24  -9.353   6.403   9.576
  175   2HB   ASP  24          2HB       ASP  24  -8.260   5.023   9.686
  176    H    ASP  25           H        ASP  25  -9.790   3.232   6.972
  177    HA   ASP  25           HA       ASP  25  -7.128   1.911   7.027
  178   1HB   ASP  25          1HB       ASP  25  -9.909   0.737   6.727
  179   2HB   ASP  25          2HB       ASP  25  -8.416  -0.191   6.875
  180    H    ILE  26           H        ILE  26  -9.258   3.350   4.822
  181    HA   ILE  26           HA       ILE  26  -8.638   1.586   2.567
  182    HB   ILE  26           HB       ILE  26 -10.061   4.244   2.813
  183   1HG1  ILE  26          1HG1      ILE  26 -11.133   1.637   1.745
  184   2HG1  ILE  26          2HG1      ILE  26 -11.059   1.928   3.483
  185   1HG2  ILE  26          1HG2      ILE  26  -9.531   2.610   0.310
  186   2HG2  ILE  26          2HG2      ILE  26 -10.588   4.019   0.406
  187   3HG2  ILE  26          3HG2      ILE  26  -8.853   4.200   0.663
  188   1HD1  ILE  26          1HD1      ILE  26 -12.234   4.188   2.909
  189   2HD1  ILE  26          2HD1      ILE  26 -12.655   3.391   1.393
  190   3HD1  ILE  26          3HD1      ILE  26 -13.201   2.712   2.926
  191    H    ASN  27           H        ASN  27  -7.962   5.061   3.188
  192    HA   ASN  27           HA       ASN  27  -6.090   5.464   1.149
  193   1HB   ASN  27          1HB       ASN  27  -5.107   7.227   2.597
  194   2HB   ASN  27          2HB       ASN  27  -6.870   7.285   2.609
  195   2HD2  ASN  27          2HD2      ASN  27  -7.777   7.385   4.664
  196   1HD2  ASN  27          1HD2      ASN  27  -7.031   6.837   6.087
  197    H    PHE  28           H        PHE  28  -5.772   3.592   4.054
  198    HA   PHE  28           HA       PHE  28  -2.889   3.529   4.158
  199   1HB   PHE  28          1HB       PHE  28  -4.216   2.891   6.107
  200   2HB   PHE  28          2HB       PHE  28  -4.964   1.575   5.201
  201    HD1  PHE  28           HD1      PHE  28  -3.442  -0.269   4.264
  202    HD2  PHE  28           HD2      PHE  28  -2.151   2.575   7.214
  203    HE1  PHE  28           HE1      PHE  28  -1.557  -1.759   4.874
  204    HE2  PHE  28           HE2      PHE  28  -0.267   1.084   7.826
  205    HZ   PHE  28           HZ       PHE  28   0.031  -1.083   6.656
  206    H    PHE  29           H        PHE  29  -1.710   2.747   2.476
  207    HA   PHE  29           HA       PHE  29  -2.482   0.100   1.355
  208   1HB   PHE  29          1HB       PHE  29  -1.488   1.212  -0.879
  209   2HB   PHE  29          2HB       PHE  29  -3.203   1.289  -0.489
  210    HD1  PHE  29           HD1      PHE  29  -0.137   3.143   0.679
  211    HD2  PHE  29           HD2      PHE  29  -4.117   3.365  -0.944
  212    HE1  PHE  29           HE1      PHE  29  -0.039   5.622   0.755
  213    HE2  PHE  29           HE2      PHE  29  -4.012   5.837  -0.864
  214    HZ   PHE  29           HZ       PHE  29  -1.974   6.969  -0.017
  215    HA   PRO  30           HA       PRO  30   1.818  -0.684   1.722
  216   1HB   PRO  30          1HB       PRO  30   2.121  -2.552  -0.277
  217   2HB   PRO  30          2HB       PRO  30   1.341  -2.900   1.276
  218   1HG   PRO  30          2HG       PRO  30   0.094  -2.514  -1.405
  219   2HG   PRO  30          1HG       PRO  30  -0.501  -3.432  -0.011
  220   1HD   PRO  30          1HD       PRO  30  -1.385  -0.862  -0.802
  221   2HD   PRO  30          2HD       PRO  30  -1.723  -1.651   0.753
  222    H    CYS  31           H        CYS  31   0.486   0.226  -1.395
  223    HA   CYS  31           HA       CYS  31   3.083   1.535  -2.065
  224   1HB   CYS  31          1HB       CYS  31   2.877  -0.488  -3.447
  225   2HB   CYS  31          2HB       CYS  31   1.278   0.029  -3.984
  226    H    THR  32           H        THR  32   2.838   3.522  -3.237
  227    HA   THR  32           HA       THR  32   0.202   4.785  -2.814
  228    HB   THR  32           HB       THR  32   2.314   5.940  -2.138
  229    HG1  THR  32           HG1      THR  32   0.506   6.987  -3.996
  230   1HG2  THR  32          1HG2      THR  32   3.481   5.011  -4.288
  231   2HG2  THR  32          2HG2      THR  32   2.816   6.452  -5.056
  232   3HG2  THR  32          3HG2      THR  32   3.926   6.611  -3.694
  233    H    CYS  33           H        CYS  33  -0.169   2.962  -4.775
  234    HA   CYS  33           HA       CYS  33  -0.336   4.679  -7.210
  235   1HB   CYS  33          2HB       CYS  33   0.325   2.894  -8.645
  236   2HB   CYS  33          1HB       CYS  33   1.513   2.916  -7.344
  237    H    GLY  34           H        GLY  34  -2.032   3.138  -4.889
  238   1HA   GLY  34          2HA       GLY  34  -4.312   2.631  -6.752
  239   2HA   GLY  34          1HA       GLY  34  -4.494   3.183  -5.085
  240    H    TYR  35           H        TYR  35  -2.549   0.533  -6.513
  241    HA   TYR  35           HA       TYR  35  -4.145  -1.642  -5.733
  242   1HB   TYR  35          1HB       TYR  35  -2.181  -2.004  -7.097
  243   2HB   TYR  35          2HB       TYR  35  -1.125  -1.389  -5.827
  244    HD1  TYR  35           HD1      TYR  35  -3.838  -3.976  -6.207
  245    HD2  TYR  35           HD2      TYR  35   0.001  -2.969  -4.558
  246    HE1  TYR  35           HE1      TYR  35  -3.649  -6.253  -5.247
  247    HE2  TYR  35           HE2      TYR  35   0.187  -5.247  -3.601
  248    HH   TYR  35           HH       TYR  35  -1.129  -7.710  -4.452
  249    H    GLN  36           H        GLN  36  -5.106  -1.183  -3.695
  250    HA   GLN  36           HA       GLN  36  -3.241  -1.097  -1.368
  251   1HB   GLN  36          1HB       GLN  36  -4.877   0.765  -1.579
  252   2HB   GLN  36          2HB       GLN  36  -6.192  -0.407  -1.513
  253   1HG   GLN  36          1HG       GLN  36  -4.753  -1.114   0.700
  254   2HG   GLN  36          2HG       GLN  36  -4.481   0.630   0.660
  255   2HE2  GLN  36          2HE2      GLN  36  -6.983   1.449  -0.473
  256   1HE2  GLN  36          1HE2      GLN  36  -8.212   1.108   0.648
  257    H    ILE  37           H        ILE  37  -3.527  -2.581   0.343
  258    HA   ILE  37           HA       ILE  37  -5.462  -4.799  -0.179
  259    HB   ILE  37           HB       ILE  37  -3.777  -6.412   0.552
  260   1HG1  ILE  37          1HG1      ILE  37  -2.129  -3.910   0.982
  261   2HG1  ILE  37          2HG1      ILE  37  -2.509  -5.173   2.152
  262   1HG2  ILE  37          1HG2      ILE  37  -3.836  -5.222  -1.864
  263   2HG2  ILE  37          2HG2      ILE  37  -2.196  -4.789  -1.381
  264   3HG2  ILE  37          3HG2      ILE  37  -2.674  -6.485  -1.462
  265   1HD1  ILE  37          1HD1      ILE  37  -1.185  -6.789   0.796
  266   2HD1  ILE  37          2HD1      ILE  37  -0.749  -5.476  -0.298
  267   3HD1  ILE  37          3HD1      ILE  37  -0.204  -5.442   1.378
  268    H    CYS  38           H        CYS  38  -6.293  -5.806   1.730
  269    HA   CYS  38           HA       CYS  38  -6.981  -4.235   3.896
  270   1HB   CYS  38          1HB       CYS  38  -6.333  -7.198   4.001
  271   2HB   CYS  38          2HB       CYS  38  -7.307  -6.321   5.181
  272    H    ARG  39           H        ARG  39  -6.123  -4.008   6.080
  273    HA   ARG  39           HA       ARG  39  -3.322  -3.521   6.220
  274   1HB   ARG  39          1HB       ARG  39  -5.395  -2.921   7.852
  275   2HB   ARG  39          2HB       ARG  39  -4.719  -4.290   8.736
  276   1HG   ARG  39          1HG       ARG  39  -3.003  -3.037   9.473
  277   2HG   ARG  39          2HG       ARG  39  -2.594  -2.557   7.826
  278   1HD   ARG  39          1HD       ARG  39  -3.960  -0.655   7.902
  279   2HD   ARG  39          2HD       ARG  39  -4.938  -1.293   9.224
  280    HE   ARG  39           HE       ARG  39  -2.144  -0.833   9.953
  281   1HH1  ARG  39          1HH1      ARG  39  -5.287  -0.344  10.873
  282   2HH1  ARG  39          2HH1      ARG  39  -5.063   1.254  11.503
  283   1HH2  ARG  39          1HH2      ARG  39  -1.852   1.589  10.241
  284   2HH2  ARG  39          2HH2      ARG  39  -3.119   2.347  11.146
  285    H    PHE  40           H        PHE  40  -5.273  -6.362   6.859
  286    HA   PHE  40           HA       PHE  40  -3.044  -7.911   7.966
  287   1HB   PHE  40          1HB       PHE  40  -5.569  -8.227   8.456
  288   2HB   PHE  40          2HB       PHE  40  -5.636  -9.031   6.889
  289    HD1  PHE  40           HD1      PHE  40  -3.585 -10.771   6.524
  290    HD2  PHE  40           HD2      PHE  40  -5.237  -9.584  10.306
  291    HE1  PHE  40           HE1      PHE  40  -2.716 -12.852   7.557
  292    HE2  PHE  40           HE2      PHE  40  -4.369 -11.663  11.339
  293    HZ   PHE  40           HZ       PHE  40  -3.107 -13.297   9.965
  294    H    CYS  41           H        CYS  41  -4.765  -7.596   4.890
  295    HA   CYS  41           HA       CYS  41  -3.527  -9.744   3.500
  296   1HB   CYS  41          1HB       CYS  41  -4.863  -7.183   2.714
  297   2HB   CYS  41          2HB       CYS  41  -3.908  -8.020   1.489
  298    H    TRP  42           H        TRP  42  -2.373  -6.592   4.432
  299    HA   TRP  42           HA       TRP  42   0.001  -6.754   2.694
  300   1HB   TRP  42          1HB       TRP  42  -0.832  -4.534   3.031
  301   2HB   TRP  42          2HB       TRP  42  -0.944  -4.766   4.775
  302    HD1  TRP  42           HD1      TRP  42   1.779  -4.717   2.025
  303    HE1  TRP  42           HE1      TRP  42   3.937  -3.749   3.052
  304    HE3  TRP  42           HE3      TRP  42   0.260  -4.103   6.863
  305    HZ2  TRP  42           HZ2      TRP  42   4.892  -2.835   5.587
  306    HZ3  TRP  42           HZ3      TRP  42   1.813  -3.182   8.561
  307    HH2  TRP  42           HH2      TRP  42   4.126  -2.548   7.930
  308    H    HIS  43           H        HIS  43  -0.926  -7.316   6.043
  309    HA   HIS  43           HA       HIS  43   1.651  -7.476   7.221
  310   1HB   HIS  43          1HB       HIS  43  -1.047  -8.573   7.817
  311   2HB   HIS  43          2HB       HIS  43   0.309  -9.421   8.558
  312    HD1  HIS  43           HD1      HIS  43   2.004  -7.845   9.976
  313    HD2  HIS  43           HD2      HIS  43  -1.717  -6.191   9.080
  314    HE1  HIS  43           HE1      HIS  43   1.707  -5.865  11.528
  315    H    ARG  44           H        ARG  44   0.042  -9.525   4.952
  316    HA   ARG  44           HA       ARG  44   1.850 -11.806   5.443
  317   1HB   ARG  44          1HB       ARG  44  -0.731 -11.571   4.419
  318   2HB   ARG  44          2HB       ARG  44   0.254 -11.911   2.997
  319   1HG   ARG  44          1HG       ARG  44   1.309 -13.806   4.334
  320   2HG   ARG  44          2HG       ARG  44   0.037 -13.553   5.529
  321   1HD   ARG  44          1HD       ARG  44  -1.661 -13.871   3.715
  322   2HD   ARG  44          2HD       ARG  44  -0.346 -14.269   2.608
  323    HE   ARG  44           HE       ARG  44  -1.507 -16.085   4.475
  324   1HH1  ARG  44          1HH1      ARG  44   0.947 -15.808   2.272
  325   2HH1  ARG  44          2HH1      ARG  44   2.032 -16.916   3.042
  326   1HH2  ARG  44          1HH2      ARG  44   0.147 -17.162   5.940
  327   2HH2  ARG  44          2HH2      ARG  44   1.579 -17.683   5.117
  328    H    ILE  45           H        ILE  45   1.064  -9.664   2.669
  329    HA   ILE  45           HA       ILE  45   3.109 -10.482   0.936
  330    HB   ILE  45           HB       ILE  45   1.916  -7.739   1.398
  331   1HG1  ILE  45          1HG1      ILE  45   1.579  -9.731  -0.864
  332   2HG1  ILE  45          2HG1      ILE  45   0.477  -9.604   0.507
  333   1HG2  ILE  45          1HG2      ILE  45   4.221  -7.589   0.426
  334   2HG2  ILE  45          2HG2      ILE  45   3.687  -8.627  -0.897
  335   3HG2  ILE  45          3HG2      ILE  45   2.965  -7.032  -0.680
  336   1HD1  ILE  45          1HD1      ILE  45   0.816  -6.972  -0.447
  337   2HD1  ILE  45          2HD1      ILE  45   0.595  -7.976  -1.880
  338   3HD1  ILE  45          3HD1      ILE  45  -0.621  -7.982  -0.603
  339    H    ARG  46           H        ARG  46   3.345  -8.535   3.842
  340    HA   ARG  46           HA       ARG  46   6.091  -7.682   3.267
  341   1HB   ARG  46          1HB       ARG  46   4.466  -6.339   4.663
  342   2HB   ARG  46          2HB       ARG  46   4.610  -7.578   5.909
  343   1HG   ARG  46          2HG       ARG  46   6.277  -6.161   6.629
  344   2HG   ARG  46          1HG       ARG  46   7.218  -7.136   5.499
  345   1HD   ARG  46          1HD       ARG  46   6.478  -5.390   3.720
  346   2HD   ARG  46          2HD       ARG  46   6.089  -4.371   5.105
  347    HE   ARG  46           HE       ARG  46   8.680  -5.262   5.598
  348   1HH1  ARG  46          1HH1      ARG  46   7.004  -3.652   3.043
  349   2HH1  ARG  46          2HH1      ARG  46   8.384  -2.730   2.546
  350   1HH2  ARG  46          1HH2      ARG  46  10.479  -4.056   4.969
  351   2HH2  ARG  46          2HH2      ARG  46  10.349  -2.959   3.635
  352    H    THR  47           H        THR  47   4.496 -10.019   5.441
  353    HA   THR  47           HA       THR  47   7.147 -11.114   6.191
  354    HB   THR  47           HB       THR  47   4.451 -12.138   7.097
  355    HG1  THR  47           HG1      THR  47   5.987  -9.960   8.043
  356   1HG2  THR  47          1HG2      THR  47   7.294 -12.504   7.842
  357   2HG2  THR  47          2HG2      THR  47   6.166 -12.351   9.188
  358   3HG2  THR  47          3HG2      THR  47   5.938 -13.622   7.987
  359    H    ASP  48           H        ASP  48   5.970 -11.374   3.445
  360    HA   ASP  48           HA       ASP  48   6.464 -14.251   3.149
  361   1HB   ASP  48          1HB       ASP  48   4.076 -14.291   3.623
  362   2HB   ASP  48          2HB       ASP  48   3.784 -13.027   2.427
  363    H    GLU  49           H        GLU  49   5.113 -11.422   1.400
  364    HA   GLU  49           HA       GLU  49   6.398 -12.233  -1.089
  365   1HB   GLU  49          1HB       GLU  49   4.264 -10.646  -0.534
  366   2HB   GLU  49          2HB       GLU  49   5.511  -9.420  -0.764
  367   1HG   GLU  49          2HG       GLU  49   4.842  -9.683  -2.959
  368   2HG   GLU  49          1HG       GLU  49   6.085 -10.934  -2.889
  369    H    ASN  50           H        ASN  50   7.185  -9.413  -1.740
  370    HA   ASN  50           HA       ASN  50   9.765  -9.390  -0.226
  371   1HB   ASN  50          1HB       ASN  50   9.423  -8.115  -2.927
  372   2HB   ASN  50          2HB       ASN  50  10.888  -8.749  -2.177
  373   2HD2  ASN  50          2HD2      ASN  50   9.671  -9.476  -4.841
  374   1HD2  ASN  50          1HD2      ASN  50   9.422 -11.153  -4.773
  375    H    GLY  51           H        GLY  51   6.922  -7.868  -0.203
  376   1HA   GLY  51          2HA       GLY  51   8.063  -5.414   0.887
  377   2HA   GLY  51          1HA       GLY  51   6.344  -5.799   0.781
  378    H    LEU  52           H        LEU  52   7.625  -6.375  -2.221
  379    HA   LEU  52           HA       LEU  52   7.595  -3.588  -3.167
  380   1HB   LEU  52          1HB       LEU  52   8.236  -6.259  -4.365
  381   2HB   LEU  52          2HB       LEU  52   7.799  -4.935  -5.444
  382    HG   LEU  52           HG       LEU  52  10.025  -4.916  -3.389
  383   1HD1  LEU  52          1HD1      LEU  52   9.887  -5.762  -6.117
  384   2HD1  LEU  52          2HD1      LEU  52  10.836  -4.277  -6.057
  385   3HD1  LEU  52          3HD1      LEU  52  11.311  -5.666  -5.079
  386   1HD2  LEU  52          1HD2      LEU  52   8.512  -2.769  -4.577
  387   2HD2  LEU  52          2HD2      LEU  52   9.863  -2.666  -3.448
  388   3HD2  LEU  52          3HD2      LEU  52  10.167  -2.717  -5.185
  389    H    CYS  53           H        CYS  53   6.230  -3.081  -5.108
  390    HA   CYS  53           HA       CYS  53   3.449  -3.873  -4.585
  391   1HB   CYS  53          1HB       CYS  53   4.159  -1.498  -5.099
  392   2HB   CYS  53          2HB       CYS  53   4.500  -2.029  -6.744
  393    HA   PRO  54           HA       PRO  54   3.854  -6.952  -7.830
  394   1HB   PRO  54          1HB       PRO  54   1.429  -8.138  -7.321
  395   2HB   PRO  54          2HB       PRO  54   2.891  -8.466  -6.376
  396   1HG   PRO  54          2HG       PRO  54   0.502  -6.845  -5.633
  397   2HG   PRO  54          1HG       PRO  54   1.647  -7.699  -4.586
  398   1HD   PRO  54          1HD       PRO  54   1.617  -4.911  -5.097
  399   2HD   PRO  54          2HD       PRO  54   2.925  -5.820  -4.311
  400    H    ALA  55           H        ALA  55   2.117  -4.186  -7.780
  401    HA   ALA  55           HA       ALA  55   0.567  -4.903 -10.236
  402   1HB   ALA  55          1HB       ALA  55  -0.498  -3.937  -7.937
  403   2HB   ALA  55          3HB       ALA  55  -0.128  -2.422  -8.763
  404   3HB   ALA  55          2HB       ALA  55  -1.183  -3.609  -9.530
  405    H    CYS  56           H        CYS  56   2.674  -2.477  -8.712
  406    HA   CYS  56           HA       CYS  56   3.232  -1.459 -11.461
  407   1HB   CYS  56          1HB       CYS  56   2.966   0.768 -10.855
  408   2HB   CYS  56          2HB       CYS  56   1.720   0.015  -9.864
  409    H    ARG  57           H        ARG  57   4.527  -3.135  -9.076
  410    HA   ARG  57           HA       ARG  57   6.700  -3.469  -8.254
  411   1HB   ARG  57          1HB       ARG  57   6.905  -2.649 -11.058
  412   2HB   ARG  57          2HB       ARG  57   8.363  -2.288 -10.131
  413   1HG   ARG  57          1HG       ARG  57   8.536  -4.587  -9.389
  414   2HG   ARG  57          2HG       ARG  57   6.979  -4.984 -10.115
  415   1HD   ARG  57          1HD       ARG  57   9.041  -3.796 -11.906
  416   2HD   ARG  57          2HD       ARG  57   9.297  -5.459 -11.379
  417    HE   ARG  57           HE       ARG  57   7.307  -4.589 -13.283
  418   1HH1  ARG  57          1HH1      ARG  57   5.154  -5.571 -12.077
  419   2HH1  ARG  57          2HH1      ARG  57   5.269  -7.298 -12.028
  420   1HH2  ARG  57          1HH2      ARG  57   8.683  -7.348 -12.636
  421   2HH2  ARG  57          2HH2      ARG  57   7.270  -8.306 -12.346
  422    H    LYS  58           H        LYS  58   6.301  -1.941  -6.515
  423    HA   LYS  58           HA       LYS  58   8.163   0.348  -6.612
  424   1HB   LYS  58          1HB       LYS  58   5.279   0.624  -6.706
  425   2HB   LYS  58          2HB       LYS  58   5.915   1.333  -5.223
  426   1HG   LYS  58          1HG       LYS  58   7.726   2.341  -6.886
  427   2HG   LYS  58          2HG       LYS  58   6.439   2.102  -8.068
  428   1HD   LYS  58          1HD       LYS  58   4.987   3.243  -6.121
  429   2HD   LYS  58          2HD       LYS  58   6.553   3.960  -5.739
  430   1HE   LYS  58          1HE       LYS  58   5.622   3.946  -8.590
  431   2HE   LYS  58          2HE       LYS  58   4.947   5.136  -7.477
  432   1HZ   LYS  58          1HZ       LYS  58   7.707   5.041  -7.068
  433   2HZ   LYS  58          2HZ       LYS  58   7.449   5.158  -8.743
  434   3HZ   LYS  58          3HZ       LYS  58   6.785   6.320  -7.701
  435    HA   PRO  59           HA       PRO  59   8.874  -1.291  -2.597
  436   1HB   PRO  59          1HB       PRO  59  10.416   0.773  -1.625
  437   2HB   PRO  59          2HB       PRO  59  11.011  -0.445  -2.767
  438   1HG   PRO  59          2HG       PRO  59  10.258   2.400  -3.277
  439   2HG   PRO  59          1HG       PRO  59  11.419   1.375  -4.137
  440   1HD   PRO  59          1HD       PRO  59   8.811   1.996  -5.021
  441   2HD   PRO  59          2HD       PRO  59   9.838   0.693  -5.656
  442    H    TYR  60           H        TYR  60   7.042  -1.277  -1.313
  443    HA   TYR  60           HA       TYR  60   5.282   0.763  -0.691
  444   1HB   TYR  60          1HB       TYR  60   6.329  -1.298   1.277
  445   2HB   TYR  60          2HB       TYR  60   4.802  -0.433   1.408
  446    HD1  TYR  60           HD1      TYR  60   4.767  -0.659  -1.903
  447    HD2  TYR  60           HD2      TYR  60   4.801  -3.359   1.439
  448    HE1  TYR  60           HE1      TYR  60   3.667  -2.395  -3.293
  449    HE2  TYR  60           HE2      TYR  60   3.702  -5.092   0.049
  450    HH   TYR  60           HH       TYR  60   2.071  -4.848  -2.238
  451    HA   PRO  61           HA       PRO  61   7.464   3.704   1.731
  452   1HB   PRO  61          1HB       PRO  61   5.472   4.570   3.419
  453   2HB   PRO  61          2HB       PRO  61   5.564   5.005   1.705
  454   1HG   PRO  61          2HG       PRO  61   3.748   3.051   3.050
  455   2HG   PRO  61          1HG       PRO  61   3.477   4.008   1.585
  456   1HD   PRO  61          1HD       PRO  61   4.165   1.279   1.645
  457   2HD   PRO  61          2HD       PRO  61   4.282   2.342   0.227
  458    H    GLU  62           H        GLU  62   5.341   3.018   4.416
  459    HA   GLU  62           HA       GLU  62   5.863   2.335   6.601
  460   1HB   GLU  62          1HB       GLU  62   5.784   0.181   5.185
  461   2HB   GLU  62          2HB       GLU  62   7.545   0.215   5.270
  462   1HG   GLU  62          1HG       GLU  62   7.019   0.597   7.870
  463   2HG   GLU  62          2HG       GLU  62   5.552  -0.280   7.432
  464    H    ASP  63           H        ASP  63   7.320   4.423   6.456
  465    HA   ASP  63           HA       ASP  63   9.288   5.430   7.246
  466   1HB   ASP  63          2HB       ASP  63  10.222   2.638   7.929
  467   2HB   ASP  63          1HB       ASP  63  10.709   4.156   8.683
  468    HA   PRO  64           HA       PRO  64  11.590   4.538   3.459
  469   1HB   PRO  64          1HB       PRO  64  12.395   7.143   3.107
  470   2HB   PRO  64          2HB       PRO  64  10.824   6.522   2.570
  471   1HG   PRO  64          2HG       PRO  64  11.452   8.277   4.899
  472   2HG   PRO  64          1HG       PRO  64   9.950   8.141   3.969
  473   1HD   PRO  64          1HD       PRO  64  10.436   6.992   6.511
  474   2HD   PRO  64          2HD       PRO  64   9.082   6.602   5.428
  475    H    ALA  65           H        ALA  65  12.557   5.965   6.486
  476    HA   ALA  65           HA       ALA  65  14.638   6.058   7.568
  477   1HB   ALA  65          1HB       ALA  65  16.123   4.234   5.900
  478   2HB   ALA  65          3HB       ALA  65  15.541   3.994   7.548
  479   3HB   ALA  65          2HB       ALA  65  14.504   3.591   6.178
  480    H    VAL  66           H        VAL  66  14.503   8.210   6.147
  481    HA   VAL  66           HA       VAL  66  17.077   8.342   4.647
  482    HB   VAL  66           HB       VAL  66  16.085   9.712   2.944
  483   1HG1  VAL  66          1HG1      VAL  66  14.644   7.197   3.681
  484   2HG1  VAL  66          2HG1      VAL  66  13.976   8.180   2.378
  485   3HG1  VAL  66          3HG1      VAL  66  15.620   7.552   2.256
  486   1HG2  VAL  66          1HG2      VAL  66  14.131  10.198   5.026
  487   2HG2  VAL  66          2HG2      VAL  66  14.418  11.110   3.543
  488   3HG2  VAL  66          3HG2      VAL  66  13.322   9.728   3.531
  489    H    TYR  67           H        TYR  67  16.262  11.270   4.163
  490    HA   TYR  67           HA       TYR  67  17.643  12.400   6.390
  491   1HB   TYR  67          1HB       TYR  67  16.516  13.324   3.931
  492   2HB   TYR  67          2HB       TYR  67  15.930  14.369   5.226
  493    HD1  TYR  67           HD1      TYR  67  18.959  13.027   3.566
  494    HD2  TYR  67           HD2      TYR  67  17.419  15.815   6.449
  495    HE1  TYR  67           HE1      TYR  67  21.170  14.146   3.667
  496    HE2  TYR  67           HE2      TYR  67  19.630  16.933   6.550
  497    HH   TYR  67           HH       TYR  67  21.665  17.135   4.860
  498    H    LYS  68           H        LYS  68  16.912  12.792   8.416
  499    HA   LYS  68           HA       LYS  68  14.561  14.027   9.198
  500   1HB   LYS  68          1HB       LYS  68  14.063  11.293   8.323
  501   2HB   LYS  68          2HB       LYS  68  13.578  11.536  10.002
  502   1HG   LYS  68          1HG       LYS  68  12.574  13.799   8.967
  503   2HG   LYS  68          2HG       LYS  68  12.508  12.793   7.519
  504   1HD   LYS  68          1HD       LYS  68  11.408  11.016   9.052
  505   2HD   LYS  68          2HD       LYS  68  11.142  12.355  10.171
  506   1HE   LYS  68          1HE       LYS  68   9.702  13.469   8.704
  507   2HE   LYS  68          2HE       LYS  68  10.353  12.651   7.285
  508   1HZ   LYS  68          1HZ       LYS  68   9.408  10.607   8.772
  509   2HZ   LYS  68          2HZ       LYS  68   8.264  11.824   9.084
  510   3HZ   LYS  68          3HZ       LYS  68   8.575  11.342   7.488
  511    HA   PRO  69           HA       PRO  69  16.283  11.545  12.894
  512   1HB   PRO  69          1HB       PRO  69  18.034   9.497  12.352
  513   2HB   PRO  69          2HB       PRO  69  16.278   9.279  12.454
  514   1HG   PRO  69          2HG       PRO  69  18.025   9.329  10.039
  515   2HG   PRO  69          1HG       PRO  69  16.457   8.538  10.274
  516   1HD   PRO  69          1HD       PRO  69  16.903  10.978   8.901
  517   2HD   PRO  69          2HD       PRO  69  15.328  10.332   9.408
  518    H    LEU  70           H        LEU  70  17.736  12.981  13.779
  519    HA   LEU  70           HA       LEU  70  20.275  13.494  12.306
  520   1HB   LEU  70          1HB       LEU  70  18.458  15.137  13.901
  521   2HB   LEU  70          2HB       LEU  70  20.138  15.306  14.414
  522    HG   LEU  70           HG       LEU  70  19.880  15.263  11.506
  523   1HD1  LEU  70          1HD1      LEU  70  17.684  16.334  12.200
  524   2HD1  LEU  70          2HD1      LEU  70  18.635  17.615  12.952
  525   3HD1  LEU  70          3HD1      LEU  70  18.730  17.353  11.210
  526   1HD2  LEU  70          1HD2      LEU  70  21.337  16.628  13.655
  527   2HD2  LEU  70          2HD2      LEU  70  21.864  16.233  12.020
  528   3HD2  LEU  70          3HD2      LEU  70  20.929  17.698  12.314
  529    H    SER  71           H        SER  71  20.567  11.136  13.415
  530    HA   SER  71           HA       SER  71  21.813  11.569  16.098
  531   1HB   SER  71          1HB       SER  71  20.248   9.392  14.926
  532   2HB   SER  71          2HB       SER  71  21.759   8.827  15.633
  533    HG   SER  71           HG       SER  71  20.362   8.892  17.306
  534    H    GLN  72           H        GLN  72  22.307   9.952  12.957
  535    HA   GLN  72           HA       GLN  72  24.281   9.326  11.865
  536   1HB   GLN  72          1HB       GLN  72  25.354  11.625  13.529
  537   2HB   GLN  72          2HB       GLN  72  26.190  10.890  12.160
  538   1HG   GLN  72          2HG       GLN  72  25.094  12.360  10.844
  539   2HG   GLN  72          1HG       GLN  72  23.630  11.439  11.188
  540   2HE2  GLN  72          2HE2      GLN  72  24.367  14.519  11.002
  541   1HE2  GLN  72          1HE2      GLN  72  23.580  15.161  12.361
  542    H    GLU  73           H        GLU  73  26.260  10.382  14.547
  543    HA   GLU  73           HA       GLU  73  27.395   7.752  14.858
  544   1HB   GLU  73          1HB       GLU  73  27.725  10.415  16.129
  545   2HB   GLU  73          2HB       GLU  73  28.170   9.028  17.125
  546   1HG   GLU  73          2HG       GLU  73  30.159   9.560  15.957
  547   2HG   GLU  73          1HG       GLU  73  29.480   8.204  15.056
  548    H    GLU  74           H        GLU  74  26.957   6.177  16.403
  549    HA   GLU  74           HA       GLU  74  25.483   6.560  18.801
  550   1HB   GLU  74          1HB       GLU  74  23.733   6.995  16.879
  551   2HB   GLU  74          2HB       GLU  74  23.714   5.235  16.769
  552   1HG   GLU  74          1HG       GLU  74  22.078   5.525  18.374
  553   2HG   GLU  74          2HG       GLU  74  23.496   5.436  19.420
  554    H    LEU  75           H        LEU  75  27.615   5.118  18.690
  555    HA   LEU  75           HA       LEU  75  27.357   2.397  17.785
  556   1HB   LEU  75          1HB       LEU  75  29.239   3.923  19.525
  557   2HB   LEU  75          2HB       LEU  75  29.225   2.168  19.701
  558    HG   LEU  75           HG       LEU  75  29.222   3.148  16.910
  559   1HD1  LEU  75          1HD1      LEU  75  31.343   3.867  18.883
  560   2HD1  LEU  75          2HD1      LEU  75  31.872   3.297  17.301
  561   3HD1  LEU  75          3HD1      LEU  75  30.831   4.716  17.424
  562   1HD2  LEU  75          1HD2      LEU  75  29.406   0.746  17.698
  563   2HD2  LEU  75          2HD2      LEU  75  30.698   1.260  16.613
  564   3HD2  LEU  75          3HD2      LEU  75  30.994   1.152  18.348
  565    H    GLN  76           H        GLN  76  28.084   2.873  21.176
  566    HA   GLN  76           HA       GLN  76  25.625   1.307  21.851
  567   1HB   GLN  76          1HB       GLN  76  28.053   0.291  22.122
  568   2HB   GLN  76          2HB       GLN  76  28.071   1.269  23.589
  569   1HG   GLN  76          1HG       GLN  76  26.745  -0.206  24.650
  570   2HG   GLN  76          2HG       GLN  76  25.546  -0.117  23.359
  571   2HE2  GLN  76          2HE2      GLN  76  25.685  -2.614  24.259
  572   1HE2  GLN  76          1HE2      GLN  76  26.646  -3.621  23.288
  573    H    ARG  77           H        ARG  77  25.332   4.016  21.788
  574    HA   ARG  77           HA       ARG  77  24.778   5.882  23.103
  575   1HB   ARG  77          1HB       ARG  77  24.389   3.601  25.056
  576   2HB   ARG  77          2HB       ARG  77  23.963   5.270  25.438
  577   1HG   ARG  77          1HG       ARG  77  22.337   5.362  23.698
  578   2HG   ARG  77          2HG       ARG  77  22.940   3.878  22.957
  579   1HD   ARG  77          1HD       ARG  77  21.931   2.516  24.531
  580   2HD   ARG  77          2HD       ARG  77  21.986   3.751  25.789
  581    HE   ARG  77           HE       ARG  77  20.223   4.751  23.867
  582   1HH1  ARG  77          1HH1      ARG  77  19.769   3.666  26.791
  583   2HH1  ARG  77          2HH1      ARG  77  18.410   2.635  26.498
  584   1HH2  ARG  77          1HH2      ARG  77  18.789   2.667  23.053
  585   2HH2  ARG  77          2HH2      ARG  77  17.856   2.068  24.382
  586    H    ILE  78           H        ILE  78  27.317   6.101  22.809
  587    HA   ILE  78           HA       ILE  78  29.429   6.548  23.770
  588    HB   ILE  78           HB       ILE  78  29.295   8.229  25.522
  589   1HG1  ILE  78          1HG1      ILE  78  26.340   7.678  25.794
  590   2HG1  ILE  78          2HG1      ILE  78  27.513   6.815  26.790
  591   1HG2  ILE  78          1HG2      ILE  78  27.821   8.308  23.089
  592   2HG2  ILE  78          2HG2      ILE  78  26.859   9.143  24.309
  593   3HG2  ILE  78          3HG2      ILE  78  28.511   9.665  23.979
  594   1HD1  ILE  78          1HD1      ILE  78  27.873   9.755  26.633
  595   2HD1  ILE  78          2HD1      ILE  78  26.441   9.201  27.503
  596   3HD1  ILE  78          3HD1      ILE  78  28.044   8.671  28.014

  No H/Q in entry =         596
  Start of MODEL   22
    1    H1   MET   1           H1       MET   1 -28.885  -3.718  -4.202
    2    H2   MET   1           H2       MET   1 -27.342  -4.401  -4.024
    3    H3   MET   1           H3       MET   1 -27.744  -2.984  -3.177
    4    HA   MET   1           HA       MET   1 -26.878  -1.809  -4.823
    5   1HB   MET   1          1HB       MET   1 -26.079  -2.924  -6.895
    6   2HB   MET   1          2HB       MET   1 -25.545  -3.774  -5.445
    7   1HG   MET   1          1HG       MET   1 -27.934  -5.004  -5.895
    8   2HG   MET   1          2HG       MET   1 -27.439  -4.638  -7.547
    9   1HE   MET   1          1HE       MET   1 -28.091  -7.079  -6.900
   10   2HE   MET   1          2HE       MET   1 -26.815  -8.189  -7.390
   11   3HE   MET   1          3HE       MET   1 -27.208  -8.009  -5.682
   12    H    SER   2           H        SER   2 -29.131  -0.883  -4.761
   13    HA   SER   2           HA       SER   2 -30.657  -1.525  -7.248
   14   1HB   SER   2          1HB       SER   2 -32.056  -1.803  -5.322
   15   2HB   SER   2          2HB       SER   2 -31.502  -0.286  -4.619
   16    HG   SER   2           HG       SER   2 -33.148   0.538  -5.628
   17    H    ARG   3           H        ARG   3 -28.402   0.615  -6.175
   18    HA   ARG   3           HA       ARG   3 -27.672   2.636  -7.147
   19   1HB   ARG   3          1HB       ARG   3 -29.034   1.573  -9.173
   20   2HB   ARG   3          2HB       ARG   3 -30.167   2.867  -8.785
   21   1HG   ARG   3          1HG       ARG   3 -27.557   3.995  -8.726
   22   2HG   ARG   3          2HG       ARG   3 -27.682   3.046 -10.208
   23   1HD   ARG   3          1HD       ARG   3 -30.019   4.205 -10.443
   24   2HD   ARG   3          2HD       ARG   3 -29.348   5.386  -9.319
   25    HE   ARG   3           HE       ARG   3 -27.569   4.848 -11.558
   26   1HH1  ARG   3          1HH1      ARG   3 -28.815   7.337  -9.883
   27   2HH1  ARG   3          2HH1      ARG   3 -29.281   8.315 -11.236
   28   1HH2  ARG   3          1HH2      ARG   3 -28.813   5.786 -13.562
   29   2HH2  ARG   3          2HH2      ARG   3 -29.280   7.436 -13.319
   30    H    SER   4           H        SER   4 -28.185   3.457  -4.949
   31    HA   SER   4           HA       SER   4 -29.542   5.866  -4.871
   32   1HB   SER   4          1HB       SER   4 -31.733   5.341  -5.055
   33   2HB   SER   4          2HB       SER   4 -31.402   3.620  -4.885
   34    HG   SER   4           HG       SER   4 -32.679   4.763  -3.174
   35    HA   PRO   5           HA       PRO   5 -29.096   4.242  -0.403
   36   1HB   PRO   5          1HB       PRO   5 -28.641   1.552  -0.066
   37   2HB   PRO   5          2HB       PRO   5 -30.259   2.272  -0.107
   38   1HG   PRO   5          2HG       PRO   5 -28.873   0.658  -2.192
   39   2HG   PRO   5          1HG       PRO   5 -30.608   0.872  -1.908
   40   1HD   PRO   5          1HD       PRO   5 -29.075   2.161  -3.914
   41   2HD   PRO   5          2HD       PRO   5 -30.728   2.585  -3.422
   42    H    ASP   6           H        ASP   6 -27.164   3.506   0.957
   43    HA   ASP   6           HA       ASP   6 -24.725   3.160  -0.741
   44   1HB   ASP   6          1HB       ASP   6 -25.300   5.127   1.450
   45   2HB   ASP   6          2HB       ASP   6 -23.649   4.540   1.240
   46    H    ALA   7           H        ALA   7 -26.012   0.968   0.375
   47    HA   ALA   7           HA       ALA   7 -24.873   0.351   2.992
   48   1HB   ALA   7          1HB       ALA   7 -26.130  -1.547   0.989
   49   2HB   ALA   7          2HB       ALA   7 -27.046  -0.604   2.164
   50   3HB   ALA   7          3HB       ALA   7 -25.904  -1.828   2.715
   51    H    LYS   8           H        LYS   8 -24.419  -1.144  -0.243
   52    HA   LYS   8           HA       LYS   8 -21.632  -1.805   0.628
   53   1HB   LYS   8          1HB       LYS   8 -23.342  -3.703   0.109
   54   2HB   LYS   8          2HB       LYS   8 -23.088  -3.253  -1.577
   55   1HG   LYS   8          2HG       LYS   8 -21.455  -4.902  -1.255
   56   2HG   LYS   8          1HG       LYS   8 -20.548  -3.416  -0.975
   57   1HD   LYS   8          2HD       LYS   8 -19.963  -4.331   1.010
   58   2HD   LYS   8          1HD       LYS   8 -21.613  -3.967   1.521
   59   1HE   LYS   8          1HE       LYS   8 -22.347  -6.150   1.172
   60   2HE   LYS   8          2HE       LYS   8 -21.076  -6.497  -0.001
   61   1HZ   LYS   8          1HZ       LYS   8 -19.736  -5.902   2.301
   62   2HZ   LYS   8          2HZ       LYS   8 -21.063  -6.820   2.836
   63   3HZ   LYS   8          3HZ       LYS   8 -20.006  -7.457   1.673
   64    H    GLU   9           H        GLU   9 -22.674   0.666  -0.712
   65    HA   GLU   9           HA       GLU   9 -20.829   0.566  -3.048
   66   1HB   GLU   9          1HB       GLU   9 -23.194   0.328  -3.845
   67   2HB   GLU   9          2HB       GLU   9 -23.561   1.885  -3.101
   68   1HG   GLU   9          1HG       GLU   9 -22.177   3.066  -4.594
   69   2HG   GLU   9          2HG       GLU   9 -21.278   1.617  -5.048
   70    H    ASP  10           H        ASP  10 -19.260   1.870  -2.112
   71    HA   ASP  10           HA       ASP  10 -19.429   4.642  -2.168
   72   1HB   ASP  10          1HB       ASP  10 -20.920   3.608   0.045
   73   2HB   ASP  10          2HB       ASP  10 -19.508   4.454   0.680
   74    HA   PRO  11           HA       PRO  11 -15.731   3.393   0.595
   75   1HB   PRO  11          1HB       PRO  11 -15.714   0.846   1.627
   76   2HB   PRO  11          2HB       PRO  11 -16.443   2.233   2.455
   77   1HG   PRO  11          2HG       PRO  11 -17.785  -0.024   1.044
   78   2HG   PRO  11          1HG       PRO  11 -18.390   0.997   2.359
   79   1HD   PRO  11          1HD       PRO  11 -19.061   1.240  -0.381
   80   2HD   PRO  11          2HD       PRO  11 -19.409   2.427   0.892
   81    H    VAL  12           H        VAL  12 -14.023   1.231   0.571
   82    HA   VAL  12           HA       VAL  12 -13.958   0.436  -2.316
   83    HB   VAL  12           HB       VAL  12 -11.517   0.590  -0.556
   84   1HG1  VAL  12          1HG1      VAL  12 -11.558  -0.503  -2.865
   85   2HG1  VAL  12          2HG1      VAL  12 -11.843   1.110  -3.517
   86   3HG1  VAL  12          3HG1      VAL  12 -10.355   0.765  -2.636
   87   1HG2  VAL  12          1HG2      VAL  12 -12.843   2.777  -0.523
   88   2HG2  VAL  12          2HG2      VAL  12 -11.188   2.891  -1.124
   89   3HG2  VAL  12          3HG2      VAL  12 -12.538   2.875  -2.258
   90    H    GLU  13           H        GLU  13 -12.973  -1.695  -2.735
   91    HA   GLU  13           HA       GLU  13 -13.174  -3.528  -0.378
   92   1HB   GLU  13          2HB       GLU  13 -13.977  -4.112  -3.247
   93   2HB   GLU  13          1HB       GLU  13 -14.074  -5.243  -1.897
   94   1HG   GLU  13          2HG       GLU  13 -16.108  -4.432  -1.386
   95   2HG   GLU  13          1HG       GLU  13 -15.383  -2.854  -1.080
   96    H    CYS  14           H        CYS  14 -11.251  -4.497   0.027
   97    HA   CYS  14           HA       CYS  14  -8.864  -4.185  -1.283
   98   1HB   CYS  14          1HB       CYS  14  -9.137  -5.414   0.858
   99   2HB   CYS  14          2HB       CYS  14  -9.778  -6.791  -0.039
  100    HA   PRO  15           HA       PRO  15  -9.691  -6.248  -5.167
  101   1HB   PRO  15          1HB       PRO  15  -7.359  -5.437  -6.367
  102   2HB   PRO  15          2HB       PRO  15  -8.787  -4.400  -6.204
  103   1HG   PRO  15          2HG       PRO  15  -6.216  -4.297  -4.702
  104   2HG   PRO  15          1HG       PRO  15  -7.380  -3.002  -5.024
  105   1HD   PRO  15          1HD       PRO  15  -7.103  -4.439  -2.591
  106   2HD   PRO  15          2HD       PRO  15  -8.435  -3.344  -3.021
  107    H    LEU  16           H        LEU  16  -7.794  -7.293  -2.746
  108    HA   LEU  16           HA       LEU  16  -6.422  -9.328  -4.457
  109   1HB   LEU  16          2HB       LEU  16  -5.445  -8.969  -1.686
  110   2HB   LEU  16          1HB       LEU  16  -4.540  -9.229  -3.175
  111    HG   LEU  16           HG       LEU  16  -5.911  -6.608  -2.534
  112   1HD1  LEU  16          1HD1      LEU  16  -3.412  -7.773  -1.506
  113   2HD1  LEU  16          2HD1      LEU  16  -3.196  -6.193  -2.255
  114   3HD1  LEU  16          3HD1      LEU  16  -4.329  -6.387  -0.917
  115   1HD2  LEU  16          1HD2      LEU  16  -4.267  -7.709  -4.723
  116   2HD2  LEU  16          2HD2      LEU  16  -5.377  -6.340  -4.733
  117   3HD2  LEU  16          3HD2      LEU  16  -3.729  -6.133  -4.141
  118    H    CYS  17           H        CYS  17  -8.474  -8.789  -1.641
  119    HA   CYS  17           HA       CYS  17  -8.869 -11.744  -1.552
  120   1HB   CYS  17          1HB       CYS  17  -8.831 -11.769   0.854
  121   2HB   CYS  17          2HB       CYS  17  -7.362 -10.959   0.318
  122    H    MET  18           H        MET  18 -10.251  -8.754  -1.952
  123    HA   MET  18           HA       MET  18 -12.500  -8.234  -2.335
  124   1HB   MET  18          1HB       MET  18 -13.262 -10.842  -1.007
  125   2HB   MET  18          2HB       MET  18 -14.214  -9.880  -2.134
  126   1HG   MET  18          1HG       MET  18 -13.095 -10.664  -3.968
  127   2HG   MET  18          2HG       MET  18 -11.553 -10.751  -3.117
  128   1HE   MET  18          1HE       MET  18 -13.886 -12.151  -4.885
  129   2HE   MET  18          2HE       MET  18 -12.981 -13.657  -5.021
  130   3HE   MET  18          3HE       MET  18 -14.553 -13.651  -4.224
  131    H    GLU  19           H        GLU  19 -11.289  -9.248   0.747
  132    HA   GLU  19           HA       GLU  19 -13.241  -8.675   2.586
  133   1HB   GLU  19          1HB       GLU  19 -10.891  -9.260   3.148
  134   2HB   GLU  19          2HB       GLU  19 -10.396  -7.627   2.702
  135   1HG   GLU  19          1HG       GLU  19 -11.884  -6.701   4.442
  136   2HG   GLU  19          2HG       GLU  19 -12.366  -8.337   4.897
  137    HA   PRO  20           HA       PRO  20 -14.403  -4.483   1.725
  138   1HB   PRO  20          1HB       PRO  20 -15.956  -4.125   3.965
  139   2HB   PRO  20          2HB       PRO  20 -16.484  -5.044   2.545
  140   1HG   PRO  20          2HG       PRO  20 -15.610  -6.051   5.212
  141   2HG   PRO  20          1HG       PRO  20 -16.696  -6.801   4.029
  142   1HD   PRO  20          1HD       PRO  20 -13.981  -7.487   4.459
  143   2HD   PRO  20          2HD       PRO  20 -14.982  -7.990   3.080
  144    H    LEU  21           H        LEU  21 -12.980  -2.812   2.057
  145    HA   LEU  21           HA       LEU  21 -11.219  -2.642   4.311
  146   1HB   LEU  21          1HB       LEU  21 -12.032  -0.621   2.209
  147   2HB   LEU  21          2HB       LEU  21 -10.798  -0.298   3.428
  148    HG   LEU  21           HG       LEU  21 -10.422  -2.872   2.079
  149   1HD1  LEU  21          1HD1      LEU  21 -11.404  -1.072   0.350
  150   2HD1  LEU  21          2HD1      LEU  21  -9.724  -0.536   0.361
  151   3HD1  LEU  21          3HD1      LEU  21 -10.119  -2.193  -0.101
  152   1HD2  LEU  21          1HD2      LEU  21  -8.769  -1.739   3.553
  153   2HD2  LEU  21          2HD2      LEU  21  -8.123  -2.032   1.939
  154   3HD2  LEU  21          3HD2      LEU  21  -8.666  -0.415   2.391
  155    H    GLU  22           H        GLU  22 -11.271  -0.079   5.223
  156    HA   GLU  22           HA       GLU  22 -13.985   0.278   6.417
  157   1HB   GLU  22          1HB       GLU  22 -11.874  -0.731   7.834
  158   2HB   GLU  22          2HB       GLU  22 -11.675   0.998   8.121
  159   1HG   GLU  22          1HG       GLU  22 -14.172   1.042   8.693
  160   2HG   GLU  22          2HG       GLU  22 -14.085  -0.721   8.734
  161    H    ILE  23           H        ILE  23 -12.941   2.536   8.025
  162    HA   ILE  23           HA       ILE  23 -12.938   4.534   5.845
  163    HB   ILE  23           HB       ILE  23 -13.375   4.643   8.824
  164   1HG1  ILE  23          2HG1      ILE  23 -15.358   6.046   7.812
  165   2HG1  ILE  23          1HG1      ILE  23 -14.900   5.250   6.306
  166   1HG2  ILE  23          1HG2      ILE  23 -12.267   6.765   7.092
  167   2HG2  ILE  23          2HG2      ILE  23 -13.688   7.246   8.020
  168   3HG2  ILE  23          3HG2      ILE  23 -12.260   6.630   8.851
  169   1HD1  ILE  23          1HD1      ILE  23 -15.075   3.449   8.637
  170   2HD1  ILE  23          2HD1      ILE  23 -16.608   4.172   8.150
  171   3HD1  ILE  23          3HD1      ILE  23 -15.673   3.225   6.993
  172    H    ASP  24           H        ASP  24 -11.014   3.963   8.820
  173    HA   ASP  24           HA       ASP  24  -8.889   5.723   7.927
  174   1HB   ASP  24          1HB       ASP  24  -9.528   4.954  10.351
  175   2HB   ASP  24          2HB       ASP  24  -8.489   3.574   9.991
  176    H    ASP  25           H        ASP  25  -9.767   2.597   7.009
  177    HA   ASP  25           HA       ASP  25  -6.983   1.753   6.450
  178   1HB   ASP  25          1HB       ASP  25  -9.628   0.352   5.961
  179   2HB   ASP  25          2HB       ASP  25  -8.039  -0.351   5.664
  180    H    ILE  26           H        ILE  26  -9.357   3.592   4.956
  181    HA   ILE  26           HA       ILE  26  -8.962   2.681   2.223
  182    HB   ILE  26           HB       ILE  26 -10.331   4.997   3.550
  183   1HG1  ILE  26          1HG1      ILE  26 -11.110   2.900   1.502
  184   2HG1  ILE  26          2HG1      ILE  26 -11.556   2.919   3.208
  185   1HG2  ILE  26          1HG2      ILE  26  -9.677   4.844   0.589
  186   2HG2  ILE  26          2HG2      ILE  26 -10.842   5.958   1.305
  187   3HG2  ILE  26          3HG2      ILE  26  -9.132   6.088   1.715
  188   1HD1  ILE  26          1HD1      ILE  26 -12.331   5.432   2.220
  189   2HD1  ILE  26          2HD1      ILE  26 -12.814   4.278   0.977
  190   3HD1  ILE  26          3HD1      ILE  26 -13.393   4.086   2.632
  191    H    ASN  27           H        ASN  27  -7.559   5.214   4.275
  192    HA   ASN  27           HA       ASN  27  -5.823   6.107   2.051
  193   1HB   ASN  27          1HB       ASN  27  -6.900   7.371   4.307
  194   2HB   ASN  27          2HB       ASN  27  -5.181   7.209   4.666
  195   2HD2  ASN  27          2HD2      ASN  27  -7.299   8.171   1.902
  196   1HD2  ASN  27          1HD2      ASN  27  -6.277   9.414   1.362
  197    H    PHE  28           H        PHE  28  -5.599   3.374   3.205
  198    HA   PHE  28           HA       PHE  28  -2.779   3.575   4.191
  199   1HB   PHE  28          1HB       PHE  28  -4.117   2.687   5.983
  200   2HB   PHE  28          2HB       PHE  28  -4.944   1.575   4.890
  201    HD1  PHE  28           HD1      PHE  28  -1.453   2.478   5.938
  202    HD2  PHE  28           HD2      PHE  28  -4.191  -0.630   4.797
  203    HE1  PHE  28           HE1      PHE  28   0.312   0.780   6.327
  204    HE2  PHE  28           HE2      PHE  28  -2.424  -2.327   5.184
  205    HZ   PHE  28           HZ       PHE  28  -0.173  -1.623   5.949
  206    H    PHE  29           H        PHE  29  -1.847   3.359   2.120
  207    HA   PHE  29           HA       PHE  29  -2.421   0.770   0.736
  208   1HB   PHE  29          1HB       PHE  29  -1.227   2.138  -1.215
  209   2HB   PHE  29          2HB       PHE  29  -2.953   2.324  -0.901
  210    HD1  PHE  29           HD1      PHE  29   0.392   3.756  -0.002
  211    HD2  PHE  29           HD2      PHE  29  -3.846   4.418  -0.327
  212    HE1  PHE  29           HE1      PHE  29   0.722   6.162   0.510
  213    HE2  PHE  29           HE2      PHE  29  -3.514   6.821   0.189
  214    HZ   PHE  29           HZ       PHE  29  -1.228   7.693   0.604
  215    HA   PRO  30           HA       PRO  30   1.783  -0.213   1.650
  216   1HB   PRO  30          1HB       PRO  30   2.005  -2.353  -0.062
  217   2HB   PRO  30          2HB       PRO  30   1.152  -2.428   1.490
  218   1HG   PRO  30          2HG       PRO  30   0.025  -2.320  -1.270
  219   2HG   PRO  30          1HG       PRO  30  -0.680  -3.007   0.203
  220   1HD   PRO  30          1HD       PRO  30  -1.354  -0.512  -0.950
  221   2HD   PRO  30          2HD       PRO  30  -1.792  -1.060   0.683
  222    H    CYS  31           H        CYS  31   0.645   1.020  -1.282
  223    HA   CYS  31           HA       CYS  31   3.428   1.529  -2.188
  224   1HB   CYS  31          1HB       CYS  31   2.476  -0.465  -3.419
  225   2HB   CYS  31          2HB       CYS  31   1.241   0.610  -4.071
  226    H    THR  32           H        THR  32   3.441   3.330  -3.859
  227    HA   THR  32           HA       THR  32   1.471   5.369  -3.041
  228    HB   THR  32           HB       THR  32   3.036   6.714  -4.741
  229    HG1  THR  32           HG1      THR  32   5.196   5.599  -4.149
  230   1HG2  THR  32          1HG2      THR  32   2.931   6.267  -1.937
  231   2HG2  THR  32          2HG2      THR  32   4.634   6.297  -2.396
  232   3HG2  THR  32          3HG2      THR  32   3.592   7.665  -2.784
  233    H    CYS  33           H        CYS  33   2.065   3.251  -5.727
  234    HA   CYS  33           HA       CYS  33   0.952   4.711  -7.868
  235   1HB   CYS  33          1HB       CYS  33   0.393   2.564  -8.880
  236   2HB   CYS  33          2HB       CYS  33   1.960   2.436  -8.084
  237    H    GLY  34           H        GLY  34  -0.646   3.066  -5.182
  238   1HA   GLY  34          2HA       GLY  34  -3.226   4.208  -6.178
  239   2HA   GLY  34          1HA       GLY  34  -2.797   4.155  -4.467
  240    H    TYR  35           H        TYR  35  -1.581   1.384  -4.974
  241    HA   TYR  35           HA       TYR  35  -3.974  -0.225  -5.596
  242   1HB   TYR  35          1HB       TYR  35  -1.378  -0.736  -6.055
  243   2HB   TYR  35          2HB       TYR  35  -1.508  -1.471  -4.459
  244    HD1  TYR  35           HD1      TYR  35  -3.916  -1.224  -7.325
  245    HD2  TYR  35           HD2      TYR  35  -1.689  -3.793  -4.698
  246    HE1  TYR  35           HE1      TYR  35  -5.011  -3.208  -8.334
  247    HE2  TYR  35           HE2      TYR  35  -2.780  -5.773  -5.709
  248    HH   TYR  35           HH       TYR  35  -3.963  -6.458  -7.601
  249    H    GLN  36           H        GLN  36  -4.447   1.420  -3.442
  250    HA   GLN  36           HA       GLN  36  -3.840   0.546  -0.858
  251   1HB   GLN  36          1HB       GLN  36  -5.113   2.587  -1.268
  252   2HB   GLN  36          2HB       GLN  36  -6.457   1.653  -1.921
  253   1HG   GLN  36          1HG       GLN  36  -6.124   0.453   0.510
  254   2HG   GLN  36          2HG       GLN  36  -5.679   2.117   0.890
  255   2HE2  GLN  36          2HE2      GLN  36  -7.410   3.511  -0.893
  256   1HE2  GLN  36          1HE2      GLN  36  -9.017   3.227  -0.429
  257    H    ILE  37           H        ILE  37  -4.307  -1.286   0.266
  258    HA   ILE  37           HA       ILE  37  -6.636  -2.913  -0.630
  259    HB   ILE  37           HB       ILE  37  -5.428  -4.915  -0.688
  260   1HG1  ILE  37          1HG1      ILE  37  -4.324  -4.736   1.483
  261   2HG1  ILE  37          2HG1      ILE  37  -3.121  -5.138   0.259
  262   1HG2  ILE  37          1HG2      ILE  37  -4.590  -2.873  -2.276
  263   2HG2  ILE  37          2HG2      ILE  37  -3.067  -3.335  -1.515
  264   3HG2  ILE  37          3HG2      ILE  37  -4.000  -4.528  -2.418
  265   1HD1  ILE  37          1HD1      ILE  37  -2.779  -2.567   0.073
  266   2HD1  ILE  37          2HD1      ILE  37  -3.595  -2.503   1.635
  267   3HD1  ILE  37          3HD1      ILE  37  -2.089  -3.404   1.463
  268    H    CYS  38           H        CYS  38  -6.801  -4.800   1.202
  269    HA   CYS  38           HA       CYS  38  -7.519  -3.403   3.608
  270   1HB   CYS  38          1HB       CYS  38  -8.333  -5.493   4.379
  271   2HB   CYS  38          2HB       CYS  38  -8.558  -5.557   2.635
  272    H    ARG  39           H        ARG  39  -6.673  -4.339   5.808
  273    HA   ARG  39           HA       ARG  39  -3.760  -3.965   5.781
  274   1HB   ARG  39          1HB       ARG  39  -5.926  -3.889   7.782
  275   2HB   ARG  39          2HB       ARG  39  -4.398  -4.536   8.380
  276   1HG   ARG  39          1HG       ARG  39  -3.241  -2.553   7.964
  277   2HG   ARG  39          2HG       ARG  39  -4.399  -2.015   6.746
  278   1HD   ARG  39          1HD       ARG  39  -5.202  -0.702   8.422
  279   2HD   ARG  39          2HD       ARG  39  -5.999  -2.182   8.956
  280    HE   ARG  39           HE       ARG  39  -3.567  -2.375  10.188
  281   1HH1  ARG  39          1HH1      ARG  39  -3.462   0.651   9.890
  282   2HH1  ARG  39          2HH1      ARG  39  -4.139   1.161  11.401
  283   1HH2  ARG  39          1HH2      ARG  39  -5.506  -1.940  12.137
  284   2HH2  ARG  39          2HH2      ARG  39  -5.298  -0.306  12.672
  285    H    PHE  40           H        PHE  40  -5.948  -6.622   5.791
  286    HA   PHE  40           HA       PHE  40  -4.094  -8.468   7.110
  287   1HB   PHE  40          1HB       PHE  40  -6.831  -8.602   5.980
  288   2HB   PHE  40          2HB       PHE  40  -5.893 -10.095   5.886
  289    HD1  PHE  40           HD1      PHE  40  -7.044  -7.431   8.225
  290    HD2  PHE  40           HD2      PHE  40  -5.495 -11.417   7.822
  291    HE1  PHE  40           HE1      PHE  40  -7.441  -7.829  10.641
  292    HE2  PHE  40           HE2      PHE  40  -5.890 -11.814  10.238
  293    HZ   PHE  40           HZ       PHE  40  -6.864 -10.020  11.647
  294    H    CYS  41           H        CYS  41  -4.401  -7.151   3.993
  295    HA   CYS  41           HA       CYS  41  -3.155  -9.485   2.667
  296   1HB   CYS  41          1HB       CYS  41  -4.426  -6.941   1.760
  297   2HB   CYS  41          2HB       CYS  41  -3.177  -7.629   0.723
  298    H    TRP  42           H        TRP  42  -2.331  -6.373   4.003
  299    HA   TRP  42           HA       TRP  42   0.321  -6.306   2.741
  300   1HB   TRP  42          1HB       TRP  42  -0.739  -4.177   3.218
  301   2HB   TRP  42          2HB       TRP  42  -0.965  -4.620   4.909
  302    HD1  TRP  42           HD1      TRP  42   1.969  -4.204   2.416
  303    HE1  TRP  42           HE1      TRP  42   3.987  -3.254   3.708
  304    HE3  TRP  42           HE3      TRP  42   0.008  -4.053   7.129
  305    HZ2  TRP  42           HZ2      TRP  42   4.677  -2.526   6.386
  306    HZ3  TRP  42           HZ3      TRP  42   1.366  -3.227   9.029
  307    HH2  TRP  42           HH2      TRP  42   3.696  -2.464   8.665
  308    H    HIS  43           H        HIS  43  -1.121  -7.266   5.808
  309    HA   HIS  43           HA       HIS  43   1.351  -7.560   7.258
  310   1HB   HIS  43          1HB       HIS  43  -1.360  -8.868   7.621
  311   2HB   HIS  43          2HB       HIS  43  -0.025  -9.044   8.758
  312    HD1  HIS  43           HD1      HIS  43   1.029  -6.113   8.669
  313    HD2  HIS  43           HD2      HIS  43  -2.986  -7.147   9.108
  314    HE1  HIS  43           HE1      HIS  43  -0.107  -4.131   9.763
  315    H    ARG  44           H        ARG  44   0.041  -9.286   4.654
  316    HA   ARG  44           HA       ARG  44   1.580 -11.740   5.383
  317   1HB   ARG  44          1HB       ARG  44  -0.985 -11.346   4.188
  318   2HB   ARG  44          2HB       ARG  44   0.065 -12.095   2.985
  319   1HG   ARG  44          1HG       ARG  44   0.288 -13.214   5.714
  320   2HG   ARG  44          2HG       ARG  44  -1.259 -13.493   4.913
  321   1HD   ARG  44          1HD       ARG  44   0.057 -14.293   2.892
  322   2HD   ARG  44          2HD       ARG  44   1.496 -14.250   3.912
  323    HE   ARG  44           HE       ARG  44  -0.372 -15.762   5.341
  324   1HH1  ARG  44          1HH1      ARG  44   1.435 -15.852   2.410
  325   2HH1  ARG  44          2HH1      ARG  44   1.271 -17.564   2.204
  326   1HH2  ARG  44          1HH2      ARG  44  -0.712 -17.982   5.017
  327   2HH2  ARG  44          2HH2      ARG  44   0.056 -18.768   3.679
  328    H    ILE  45           H        ILE  45   1.409  -9.065   3.163
  329    HA   ILE  45           HA       ILE  45   3.194 -10.302   1.191
  330    HB   ILE  45           HB       ILE  45   2.105  -7.498   1.537
  331   1HG1  ILE  45          1HG1      ILE  45   1.663  -9.447  -0.730
  332   2HG1  ILE  45          2HG1      ILE  45   0.671  -9.494   0.729
  333   1HG2  ILE  45          1HG2      ILE  45   4.273  -8.555  -0.200
  334   2HG2  ILE  45          2HG2      ILE  45   3.082  -7.519  -0.985
  335   3HG2  ILE  45          3HG2      ILE  45   4.003  -6.917   0.393
  336   1HD1  ILE  45          1HD1      ILE  45   1.082  -6.882  -0.696
  337   2HD1  ILE  45          2HD1      ILE  45  -0.104  -8.031  -1.311
  338   3HD1  ILE  45          3HD1      ILE  45  -0.262  -7.392   0.325
  339    H    ARG  46           H        ARG  46   3.469  -7.897   3.798
  340    HA   ARG  46           HA       ARG  46   6.332  -7.503   3.251
  341   1HB   ARG  46          1HB       ARG  46   4.316  -6.032   4.558
  342   2HB   ARG  46          2HB       ARG  46   5.455  -6.500   5.822
  343   1HG   ARG  46          1HG       ARG  46   7.217  -5.756   3.929
  344   2HG   ARG  46          2HG       ARG  46   5.863  -4.724   3.467
  345   1HD   ARG  46          1HD       ARG  46   6.168  -3.376   5.252
  346   2HD   ARG  46          2HD       ARG  46   6.267  -4.749   6.355
  347    HE   ARG  46           HE       ARG  46   8.525  -3.313   5.225
  348   1HH1  ARG  46          1HH1      ARG  46   9.748  -5.509   4.256
  349   2HH1  ARG  46          2HH1      ARG  46  10.256  -6.483   5.595
  350   1HH2  ARG  46          1HH2      ARG  46   8.147  -4.931   7.868
  351   2HH2  ARG  46          2HH2      ARG  46   9.349  -6.156   7.639
  352    H    THR  47           H        THR  47   4.790 -10.054   4.483
  353    HA   THR  47           HA       THR  47   6.956 -10.560   6.483
  354    HB   THR  47           HB       THR  47   4.666 -10.144   7.504
  355    HG1  THR  47           HG1      THR  47   5.540 -12.790   7.920
  356   1HG2  THR  47          1HG2      THR  47   4.100 -12.780   6.121
  357   2HG2  THR  47          2HG2      THR  47   3.057 -12.023   7.325
  358   3HG2  THR  47          3HG2      THR  47   3.328 -11.234   5.772
  359    H    ASP  48           H        ASP  48   4.888 -11.822   3.941
  360    HA   ASP  48           HA       ASP  48   6.593 -14.280   3.908
  361   1HB   ASP  48          1HB       ASP  48   3.661 -13.980   3.915
  362   2HB   ASP  48          2HB       ASP  48   4.272 -15.054   2.655
  363    H    GLU  49           H        GLU  49   6.629 -11.588   2.434
  364    HA   GLU  49           HA       GLU  49   6.976 -12.785  -0.255
  365   1HB   GLU  49          1HB       GLU  49   4.729 -11.190   0.418
  366   2HB   GLU  49          2HB       GLU  49   5.790 -10.177  -0.563
  367   1HG   GLU  49          1HG       GLU  49   5.785 -12.748  -1.762
  368   2HG   GLU  49          2HG       GLU  49   4.104 -12.352  -1.407
  369    H    ASN  50           H        ASN  50   7.405 -10.219  -1.517
  370    HA   ASN  50           HA       ASN  50  10.032  -9.572  -0.279
  371   1HB   ASN  50          1HB       ASN  50   9.431 -10.121  -2.871
  372   2HB   ASN  50          2HB       ASN  50   9.281  -8.363  -2.882
  373   2HD2  ASN  50          2HD2      ASN  50  11.214  -7.096  -2.208
  374   1HD2  ASN  50          1HD2      ASN  50  12.759  -7.792  -2.300
  375    H    GLY  51           H        GLY  51   7.022  -8.478   0.117
  376   1HA   GLY  51          2HA       GLY  51   7.808  -5.937   1.161
  377   2HA   GLY  51          1HA       GLY  51   6.141  -6.440   0.878
  378    H    LEU  52           H        LEU  52   6.826  -6.955  -2.027
  379    HA   LEU  52           HA       LEU  52   7.283  -4.171  -2.970
  380   1HB   LEU  52          1HB       LEU  52   7.328  -6.874  -4.316
  381   2HB   LEU  52          2HB       LEU  52   7.241  -5.389  -5.261
  382    HG   LEU  52           HG       LEU  52   9.430  -6.233  -3.347
  383   1HD1  LEU  52          1HD1      LEU  52   9.379  -7.035  -5.771
  384   2HD1  LEU  52          2HD1      LEU  52   9.589  -5.347  -6.240
  385   3HD1  LEU  52          3HD1      LEU  52  10.833  -6.161  -5.289
  386   1HD2  LEU  52          1HD2      LEU  52   8.550  -3.550  -4.210
  387   2HD2  LEU  52          2HD2      LEU  52   9.589  -4.011  -2.861
  388   3HD2  LEU  52          3HD2      LEU  52  10.262  -3.870  -4.486
  389    H    CYS  53           H        CYS  53   5.881  -3.696  -5.039
  390    HA   CYS  53           HA       CYS  53   3.065  -3.946  -4.189
  391   1HB   CYS  53          1HB       CYS  53   3.994  -1.743  -4.893
  392   2HB   CYS  53          2HB       CYS  53   4.264  -2.403  -6.504
  393    HA   PRO  54           HA       PRO  54   2.671  -7.227  -7.222
  394   1HB   PRO  54          1HB       PRO  54   0.182  -8.017  -6.372
  395   2HB   PRO  54          2HB       PRO  54   1.686  -8.503  -5.570
  396   1HG   PRO  54          2HG       PRO  54  -0.359  -6.531  -4.677
  397   2HG   PRO  54          1HG       PRO  54   0.794  -7.467  -3.712
  398   1HD   PRO  54          1HD       PRO  54   1.045  -4.731  -4.442
  399   2HD   PRO  54          2HD       PRO  54   2.304  -5.747  -3.708
  400    H    ALA  55           H        ALA  55   1.433  -4.231  -7.250
  401    HA   ALA  55           HA       ALA  55  -0.533  -4.840  -9.419
  402   1HB   ALA  55          1HB       ALA  55  -0.597  -2.922  -7.152
  403   2HB   ALA  55          3HB       ALA  55  -1.186  -2.309  -8.697
  404   3HB   ALA  55          2HB       ALA  55  -1.926  -3.738  -7.976
  405    H    CYS  56           H        CYS  56   2.215  -2.845  -8.427
  406    HA   CYS  56           HA       CYS  56   2.504  -2.052 -11.281
  407   1HB   CYS  56          1HB       CYS  56   2.650   0.227 -10.848
  408   2HB   CYS  56          2HB       CYS  56   1.436  -0.254  -9.669
  409    H    ARG  57           H        ARG  57   3.878  -3.628  -8.793
  410    HA   ARG  57           HA       ARG  57   6.087  -4.266  -8.317
  411   1HB   ARG  57          1HB       ARG  57   6.076  -3.476 -11.154
  412   2HB   ARG  57          2HB       ARG  57   7.660  -3.364 -10.385
  413   1HG   ARG  57          1HG       ARG  57   5.887  -5.810 -10.175
  414   2HG   ARG  57          2HG       ARG  57   7.138  -5.624 -11.404
  415   1HD   ARG  57          1HD       ARG  57   8.538  -4.974  -9.154
  416   2HD   ARG  57          2HD       ARG  57   7.407  -6.164  -8.509
  417    HE   ARG  57           HE       ARG  57   9.534  -6.691 -10.480
  418   1HH1  ARG  57          1HH1      ARG  57   8.013  -8.041  -7.921
  419   2HH1  ARG  57          2HH1      ARG  57   7.663  -9.570  -8.655
  420   1HH2  ARG  57          1HH2      ARG  57   8.509  -8.529 -11.853
  421   2HH2  ARG  57          2HH2      ARG  57   7.946  -9.846 -10.881
  422    H    LYS  58           H        LYS  58   6.100  -2.668  -6.588
  423    HA   LYS  58           HA       LYS  58   8.226  -0.677  -6.946
  424   1HB   LYS  58          1HB       LYS  58   5.379   0.060  -6.879
  425   2HB   LYS  58          2HB       LYS  58   6.346   0.888  -5.658
  426   1HG   LYS  58          1HG       LYS  58   7.915   0.950  -7.985
  427   2HG   LYS  58          2HG       LYS  58   6.277   1.311  -8.530
  428   1HD   LYS  58          1HD       LYS  58   6.081   3.073  -6.826
  429   2HD   LYS  58          2HD       LYS  58   7.706   2.705  -6.245
  430   1HE   LYS  58          1HE       LYS  58   7.009   3.656  -9.041
  431   2HE   LYS  58          2HE       LYS  58   7.731   4.645  -7.773
  432   1HZ   LYS  58          1HZ       LYS  58   9.387   2.554  -7.809
  433   2HZ   LYS  58          2HZ       LYS  58   8.936   2.608  -9.442
  434   3HZ   LYS  58          3HZ       LYS  58   9.636   3.972  -8.710
  435    HA   PRO  59           HA       PRO  59   8.821  -1.938  -2.801
  436   1HB   PRO  59          1HB       PRO  59  10.420   0.136  -1.940
  437   2HB   PRO  59          2HB       PRO  59  10.986  -1.179  -2.984
  438   1HG   PRO  59          2HG       PRO  59  10.347   1.647  -3.705
  439   2HG   PRO  59          1HG       PRO  59  11.479   0.522  -4.472
  440   1HD   PRO  59          1HD       PRO  59   8.910   1.175  -5.441
  441   2HD   PRO  59          2HD       PRO  59   9.893  -0.210  -5.964
  442    H    TYR  60           H        TYR  60   7.424  -1.781  -1.114
  443    HA   TYR  60           HA       TYR  60   5.439   0.151  -0.786
  444   1HB   TYR  60          1HB       TYR  60   6.824  -1.533   1.315
  445   2HB   TYR  60          2HB       TYR  60   5.360  -0.604   1.621
  446    HD1  TYR  60           HD1      TYR  60   4.936  -1.412  -1.666
  447    HD2  TYR  60           HD2      TYR  60   5.075  -3.354   2.164
  448    HE1  TYR  60           HE1      TYR  60   3.566  -3.273  -2.557
  449    HE2  TYR  60           HE2      TYR  60   3.705  -5.216   1.269
  450    HH   TYR  60           HH       TYR  60   1.866  -5.125  -1.195
  451    HA   PRO  61           HA       PRO  61   7.826   3.606   0.705
  452   1HB   PRO  61          1HB       PRO  61   5.688   5.307   0.997
  453   2HB   PRO  61          2HB       PRO  61   6.436   4.944  -0.568
  454   1HG   PRO  61          2HG       PRO  61   3.833   3.999   0.527
  455   2HG   PRO  61          1HG       PRO  61   4.341   4.176  -1.159
  456   1HD   PRO  61          1HD       PRO  61   4.213   1.749   0.310
  457   2HD   PRO  61          2HD       PRO  61   4.979   1.981  -1.277
  458    H    GLU  62           H        GLU  62   7.098   5.352   2.631
  459    HA   GLU  62           HA       GLU  62   6.819   5.597   4.949
  460   1HB   GLU  62          2HB       GLU  62   4.984   3.196   4.693
  461   2HB   GLU  62          1HB       GLU  62   4.972   4.412   5.970
  462   1HG   GLU  62          1HG       GLU  62   4.471   6.148   4.213
  463   2HG   GLU  62          2HG       GLU  62   4.289   4.834   3.049
  464    H    ASP  63           H        ASP  63   7.878   4.828   6.789
  465    HA   ASP  63           HA       ASP  63   8.522   2.068   7.246
  466   1HB   ASP  63          1HB       ASP  63  10.040   2.969   5.224
  467   2HB   ASP  63          2HB       ASP  63  11.019   3.551   6.571
  468    HA   PRO  64           HA       PRO  64   9.005   4.767  10.870
  469   1HB   PRO  64          1HB       PRO  64   7.777   3.000  12.582
  470   2HB   PRO  64          2HB       PRO  64   6.897   4.181  11.596
  471   1HG   PRO  64          2HG       PRO  64   7.146   1.234  11.214
  472   2HG   PRO  64          1HG       PRO  64   5.850   2.327  10.702
  473   1HD   PRO  64          1HD       PRO  64   7.895   1.289   9.042
  474   2HD   PRO  64          2HD       PRO  64   6.801   2.630   8.638
  475    H    ALA  65           H        ALA  65  10.288   1.810   9.896
  476    HA   ALA  65           HA       ALA  65  11.490   0.735  12.209
  477   1HB   ALA  65          1HB       ALA  65  11.619  -0.394  10.040
  478   2HB   ALA  65          3HB       ALA  65  13.246  -0.131  10.666
  479   3HB   ALA  65          2HB       ALA  65  12.612   0.914   9.395
  480    H    VAL  66           H        VAL  66  13.531   2.476   9.886
  481    HA   VAL  66           HA       VAL  66  14.283   4.661  11.521
  482    HB   VAL  66           HB       VAL  66  15.086   2.908  13.083
  483   1HG1  VAL  66          1HG1      VAL  66  15.544   1.182  11.364
  484   2HG1  VAL  66          2HG1      VAL  66  16.906   2.138  10.781
  485   3HG1  VAL  66          3HG1      VAL  66  16.943   1.449  12.402
  486   1HG2  VAL  66          1HG2      VAL  66  17.017   4.733  11.677
  487   2HG2  VAL  66          2HG2      VAL  66  16.364   4.852  13.311
  488   3HG2  VAL  66          3HG2      VAL  66  17.609   3.657  12.943
  489    H    TYR  67           H        TYR  67  15.504   2.161   9.312
  490    HA   TYR  67           HA       TYR  67  16.815   2.345   7.376
  491   1HB   TYR  67          1HB       TYR  67  14.979   3.576   6.458
  492   2HB   TYR  67          2HB       TYR  67  15.375   5.008   7.409
  493    HD1  TYR  67           HD1      TYR  67  17.256   2.676   5.138
  494    HD2  TYR  67           HD2      TYR  67  16.299   6.736   6.161
  495    HE1  TYR  67           HE1      TYR  67  18.741   3.482   3.321
  496    HE2  TYR  67           HE2      TYR  67  17.782   7.542   4.343
  497    HH   TYR  67           HH       TYR  67  19.988   5.493   2.725
  498    H    LYS  68           H        LYS  68  18.747   2.312   8.801
  499    HA   LYS  68           HA       LYS  68  20.000   4.911   9.384
  500   1HB   LYS  68          1HB       LYS  68  21.905   3.361  10.180
  501   2HB   LYS  68          2HB       LYS  68  20.387   3.294  11.076
  502   1HG   LYS  68          1HG       LYS  68  19.884   1.189  10.334
  503   2HG   LYS  68          2HG       LYS  68  20.599   1.468   8.745
  504   1HD   LYS  68          1HD       LYS  68  22.759   0.963   9.479
  505   2HD   LYS  68          2HD       LYS  68  22.372   1.310  11.166
  506   1HE   LYS  68          2HE       LYS  68  22.310  -0.984  11.287
  507   2HE   LYS  68          1HE       LYS  68  20.651  -0.716  10.750
  508   1HZ   LYS  68          1HZ       LYS  68  22.616  -0.836   8.631
  509   2HZ   LYS  68          2HZ       LYS  68  22.409  -2.289   9.487
  510   3HZ   LYS  68          3HZ       LYS  68  21.080  -1.549   8.730
  511    HA   PRO  69           HA       PRO  69  22.010   4.748   5.402
  512   1HB   PRO  69          1HB       PRO  69  23.258   7.186   5.647
  513   2HB   PRO  69          2HB       PRO  69  21.554   6.996   5.198
  514   1HG   PRO  69          2HG       PRO  69  22.721   7.887   7.792
  515   2HG   PRO  69          1HG       PRO  69  21.136   8.251   7.091
  516   1HD   PRO  69          1HD       PRO  69  21.657   6.356   9.133
  517   2HD   PRO  69          2HD       PRO  69  20.148   6.511   8.210
  518    H    LEU  70           H        LEU  70  24.350   4.954   4.648
  519    HA   LEU  70           HA       LEU  70  26.204   4.137   6.851
  520   1HB   LEU  70          1HB       LEU  70  25.560   2.896   4.348
  521   2HB   LEU  70          2HB       LEU  70  27.247   3.408   4.300
  522    HG   LEU  70           HG       LEU  70  27.038   1.134   5.237
  523   1HD1  LEU  70          1HD1      LEU  70  28.826   2.688   6.030
  524   2HD1  LEU  70          2HD1      LEU  70  27.769   3.178   7.353
  525   3HD1  LEU  70          3HD1      LEU  70  28.348   1.516   7.259
  526   1HD2  LEU  70          1HD2      LEU  70  24.705   1.940   6.305
  527   2HD2  LEU  70          2HD2      LEU  70  25.629   0.596   6.978
  528   3HD2  LEU  70          3HD2      LEU  70  25.746   2.198   7.705
  529    H    SER  71           H        SER  71  26.060   6.798   6.652
  530    HA   SER  71           HA       SER  71  28.620   7.495   5.324
  531   1HB   SER  71          1HB       SER  71  27.160   8.227   3.626
  532   2HB   SER  71          2HB       SER  71  25.940   8.762   4.779
  533    HG   SER  71           HG       SER  71  28.182  10.043   3.828
  534    H    GLN  72           H        GLN  72  29.558   7.767   7.382
  535    HA   GLN  72           HA       GLN  72  28.273   9.695   9.238
  536   1HB   GLN  72          1HB       GLN  72  29.199   7.527  10.104
  537   2HB   GLN  72          2HB       GLN  72  30.806   8.070   9.620
  538   1HG   GLN  72          1HG       GLN  72  29.836  10.232  11.049
  539   2HG   GLN  72          2HG       GLN  72  29.196   8.853  11.942
  540   2HE2  GLN  72          2HE2      GLN  72  31.097  10.269  13.306
  541   1HE2  GLN  72          1HE2      GLN  72  32.588   9.457  13.310
  542    H    GLU  73           H        GLU  73  28.860  11.245   7.275
  543    HA   GLU  73           HA       GLU  73  31.649  12.248   7.631
  544   1HB   GLU  73          2HB       GLU  73  31.317  13.407   5.486
  545   2HB   GLU  73          1HB       GLU  73  30.989  11.683   5.313
  546   1HG   GLU  73          1HG       GLU  73  28.579  12.096   5.524
  547   2HG   GLU  73          2HG       GLU  73  28.881  13.817   5.756
  548    H    GLU  74           H        GLU  74  28.244  13.274   7.572
  549    HA   GLU  74           HA       GLU  74  29.114  15.816   8.891
  550   1HB   GLU  74          1HB       GLU  74  26.947  16.759   8.016
  551   2HB   GLU  74          2HB       GLU  74  28.092  16.311   6.751
  552   1HG   GLU  74          1HG       GLU  74  26.928  14.201   6.383
  553   2HG   GLU  74          2HG       GLU  74  25.831  14.540   7.724
  554    H    LEU  75           H        LEU  75  27.103  16.730  10.210
  555    HA   LEU  75           HA       LEU  75  25.979  16.404  12.260
  556   1HB   LEU  75          1HB       LEU  75  24.674  14.969  10.122
  557   2HB   LEU  75          2HB       LEU  75  24.448  14.106  11.644
  558    HG   LEU  75           HG       LEU  75  22.652  15.715  11.421
  559   1HD1  LEU  75          1HD1      LEU  75  24.456  15.644  13.565
  560   2HD1  LEU  75          2HD1      LEU  75  24.160  17.360  13.286
  561   3HD1  LEU  75          3HD1      LEU  75  22.808  16.272  13.602
  562   1HD2  LEU  75          1HD2      LEU  75  24.883  17.429  10.498
  563   2HD2  LEU  75          2HD2      LEU  75  23.187  17.440  10.021
  564   3HD2  LEU  75          3HD2      LEU  75  23.690  18.238  11.511
  565    H    GLN  76           H        GLN  76  28.429  15.404  12.632
  566    HA   GLN  76           HA       GLN  76  28.513  12.573  13.211
  567   1HB   GLN  76          1HB       GLN  76  30.587  13.764  12.800
  568   2HB   GLN  76          2HB       GLN  76  30.260  14.873  14.132
  569   1HG   GLN  76          1HG       GLN  76  30.480  13.110  15.758
  570   2HG   GLN  76          2HG       GLN  76  30.548  11.881  14.493
  571   2HE2  GLN  76          2HE2      GLN  76  32.719  11.357  15.604
  572   1HE2  GLN  76          1HE2      GLN  76  34.082  12.248  15.122
  573    H    ARG  77           H        ARG  77  27.433  15.385  14.962
  574    HA   ARG  77           HA       ARG  77  27.602  14.319  17.618
  575   1HB   ARG  77          2HB       ARG  77  25.587  16.295  16.503
  576   2HB   ARG  77          1HB       ARG  77  25.967  16.050  18.207
  577   1HG   ARG  77          1HG       ARG  77  28.415  16.489  16.777
  578   2HG   ARG  77          2HG       ARG  77  27.279  17.773  16.365
  579   1HD   ARG  77          1HD       ARG  77  26.946  17.444  19.113
  580   2HD   ARG  77          2HD       ARG  77  28.686  17.289  18.875
  581    HE   ARG  77           HE       ARG  77  27.108  19.658  17.945
  582   1HH1  ARG  77          1HH1      ARG  77  29.928  19.186  16.900
  583   2HH1  ARG  77          2HH1      ARG  77  30.857  20.169  17.983
  584   1HH2  ARG  77          1HH2      ARG  77  28.312  20.477  20.315
  585   2HH2  ARG  77          2HH2      ARG  77  29.942  20.901  19.914
  586    H    ILE  78           H        ILE  78  24.646  14.706  15.632
  587    HA   ILE  78           HA       ILE  78  23.716  12.084  16.723
  588    HB   ILE  78           HB       ILE  78  21.938  14.497  16.278
  589   1HG1  ILE  78          1HG1      ILE  78  23.684  14.791  18.112
  590   2HG1  ILE  78          2HG1      ILE  78  22.007  14.895  18.649
  591   1HG2  ILE  78          1HG2      ILE  78  21.544  11.831  17.676
  592   2HG2  ILE  78          2HG2      ILE  78  20.372  13.151  17.685
  593   3HG2  ILE  78          3HG2      ILE  78  20.784  12.347  16.169
  594   1HD1  ILE  78          1HD1      ILE  78  23.598  12.324  18.737
  595   2HD1  ILE  78          2HD1      ILE  78  23.519  13.448  20.094
  596   3HD1  ILE  78          3HD1      ILE  78  22.051  12.661  19.515

  No H/Q in entry =         596
  Start of MODEL   23
    1    H1   MET   1           H1       MET   1 -30.310  -9.891  -6.099
    2    H2   MET   1           H2       MET   1 -30.283 -10.754  -7.562
    3    H3   MET   1           H3       MET   1 -31.749 -10.138  -6.963
    4    HA   MET   1           HA       MET   1 -31.921 -12.337  -6.370
    5   1HB   MET   1          1HB       MET   1 -29.091 -12.234  -6.704
    6   2HB   MET   1          2HB       MET   1 -29.413 -12.903  -5.102
    7   1HG   MET   1          1HG       MET   1 -31.037 -13.894  -7.415
    8   2HG   MET   1          2HG       MET   1 -29.382 -14.475  -7.237
    9   1HE   MET   1          1HE       MET   1 -28.774 -16.182  -6.313
   10   2HE   MET   1          2HE       MET   1 -29.414 -17.123  -4.968
   11   3HE   MET   1          3HE       MET   1 -30.180 -17.231  -6.551
   12    H    SER   2           H        SER   2 -29.456 -10.886  -4.209
   13    HA   SER   2           HA       SER   2 -31.396 -11.220  -1.974
   14   1HB   SER   2          1HB       SER   2 -29.193 -12.244  -1.632
   15   2HB   SER   2          2HB       SER   2 -28.405 -10.704  -1.957
   16    HG   SER   2           HG       SER   2 -28.743 -11.234   0.313
   17    H    ARG   3           H        ARG   3 -32.151  -9.448  -0.850
   18    HA   ARG   3           HA       ARG   3 -32.644  -7.193  -0.432
   19   1HB   ARG   3          1HB       ARG   3 -29.720  -6.946  -1.199
   20   2HB   ARG   3          2HB       ARG   3 -30.678  -5.633  -0.513
   21   1HG   ARG   3          1HG       ARG   3 -30.356  -8.330   0.828
   22   2HG   ARG   3          2HG       ARG   3 -29.324  -6.942   1.180
   23   1HD   ARG   3          1HD       ARG   3 -32.344  -6.875   1.392
   24   2HD   ARG   3          2HD       ARG   3 -31.279  -7.202   2.758
   25    HE   ARG   3           HE       ARG   3 -31.649  -4.598   1.440
   26   1HH1  ARG   3          1HH1      ARG   3 -29.021  -4.066   1.563
   27   2HH1  ARG   3          2HH1      ARG   3 -28.579  -3.868   3.227
   28   1HH2  ARG   3          1HH2      ARG   3 -31.417  -5.443   4.444
   29   2HH2  ARG   3          2HH2      ARG   3 -29.933  -4.648   4.855
   30    H    SER   4           H        SER   4 -34.015  -6.229  -1.844
   31    HA   SER   4           HA       SER   4 -33.965  -6.254  -4.611
   32   1HB   SER   4          1HB       SER   4 -35.896  -5.207  -4.056
   33   2HB   SER   4          2HB       SER   4 -35.216  -4.569  -2.563
   34    HG   SER   4           HG       SER   4 -35.574  -2.827  -3.855
   35    HA   PRO   5           HA       PRO   5 -31.285  -2.300  -4.720
   36   1HB   PRO   5          1HB       PRO   5 -30.281  -1.382  -2.330
   37   2HB   PRO   5          2HB       PRO   5 -31.834  -0.861  -3.005
   38   1HG   PRO   5          2HG       PRO   5 -31.303  -2.713  -0.731
   39   2HG   PRO   5          1HG       PRO   5 -32.724  -1.705  -1.050
   40   1HD   PRO   5          1HD       PRO   5 -32.525  -4.492  -1.508
   41   2HD   PRO   5          2HD       PRO   5 -33.811  -3.423  -2.107
   42    H    ASP   6           H        ASP   6 -29.164  -2.588  -5.375
   43    HA   ASP   6           HA       ASP   6 -27.272  -4.035  -3.627
   44   1HB   ASP   6          1HB       ASP   6 -28.442  -5.130  -6.139
   45   2HB   ASP   6          2HB       ASP   6 -26.709  -5.361  -5.899
   46    H    ALA   7           H        ALA   7 -25.315  -3.047  -3.786
   47    HA   ALA   7           HA       ALA   7 -23.516  -1.852  -4.718
   48   1HB   ALA   7          1HB       ALA   7 -24.358  -3.286  -6.817
   49   2HB   ALA   7          3HB       ALA   7 -24.826  -1.688  -7.394
   50   3HB   ALA   7          2HB       ALA   7 -23.142  -2.020  -6.988
   51    H    LYS   8           H        LYS   8 -23.344   0.278  -4.249
   52    HA   LYS   8           HA       LYS   8 -25.390   2.135  -5.371
   53   1HB   LYS   8          1HB       LYS   8 -25.258   3.403  -3.175
   54   2HB   LYS   8          2HB       LYS   8 -26.073   1.843  -3.087
   55   1HG   LYS   8          1HG       LYS   8 -23.570   1.021  -2.563
   56   2HG   LYS   8          2HG       LYS   8 -23.445   2.673  -1.956
   57   1HD   LYS   8          1HD       LYS   8 -25.496   2.289  -0.590
   58   2HD   LYS   8          2HD       LYS   8 -25.510   0.611  -1.134
   59   1HE   LYS   8          1HE       LYS   8 -23.122   1.861   0.239
   60   2HE   LYS   8          2HE       LYS   8 -24.399   1.026   1.123
   61   1HZ   LYS   8          1HZ       LYS   8 -23.991  -0.924  -0.310
   62   2HZ   LYS   8          2HZ       LYS   8 -22.664  -0.116  -0.997
   63   3HZ   LYS   8          3HZ       LYS   8 -22.652  -0.513   0.652
   64    H    GLU   9           H        GLU   9 -22.241   1.313  -5.353
   65    HA   GLU   9           HA       GLU   9 -20.259   2.456  -5.866
   66   1HB   GLU   9          1HB       GLU   9 -22.459   3.913  -7.141
   67   2HB   GLU   9          2HB       GLU   9 -21.054   4.931  -6.821
   68   1HG   GLU   9          1HG       GLU   9 -19.829   2.705  -7.781
   69   2HG   GLU   9          2HG       GLU   9 -21.344   2.644  -8.681
   70    H    ASP  10           H        ASP  10 -19.148   3.033  -4.050
   71    HA   ASP  10           HA       ASP  10 -18.840   5.598  -3.111
   72   1HB   ASP  10          1HB       ASP  10 -21.394   4.500  -2.226
   73   2HB   ASP  10          2HB       ASP  10 -20.377   4.973  -0.865
   74    HA   PRO  11           HA       PRO  11 -17.466   2.596   0.336
   75   1HB   PRO  11          1HB       PRO  11 -18.427   0.024   0.246
   76   2HB   PRO  11          2HB       PRO  11 -19.245   1.343   1.100
   77   1HG   PRO  11          2HG       PRO  11 -19.973   0.045  -1.481
   78   2HG   PRO  11          1HG       PRO  11 -21.010   0.884  -0.317
   79   1HD   PRO  11          1HD       PRO  11 -20.038   1.945  -2.761
   80   2HD   PRO  11          2HD       PRO  11 -20.827   2.859  -1.457
   81    H    VAL  12           H        VAL  12 -15.633   1.135   0.365
   82    HA   VAL  12           HA       VAL  12 -14.877   0.092  -2.336
   83    HB   VAL  12           HB       VAL  12 -12.831   0.763  -0.243
   84   1HG1  VAL  12          1HG1      VAL  12 -12.846  -0.121  -2.933
   85   2HG1  VAL  12          2HG1      VAL  12 -12.256   1.541  -2.960
   86   3HG1  VAL  12          3HG1      VAL  12 -11.445   0.332  -1.963
   87   1HG2  VAL  12          1HG2      VAL  12 -14.555   2.669  -1.757
   88   2HG2  VAL  12          2HG2      VAL  12 -13.768   2.868  -0.191
   89   3HG2  VAL  12          3HG2      VAL  12 -12.832   3.039  -1.676
   90    H    GLU  13           H        GLU  13 -13.492  -1.872  -2.267
   91    HA   GLU  13           HA       GLU  13 -13.544  -3.377   0.282
   92   1HB   GLU  13          1HB       GLU  13 -14.514  -5.376  -0.999
   93   2HB   GLU  13          2HB       GLU  13 -15.644  -4.081  -0.603
   94   1HG   GLU  13          1HG       GLU  13 -14.989  -3.115  -2.934
   95   2HG   GLU  13          2HG       GLU  13 -14.397  -4.744  -3.262
   96    H    CYS  14           H        CYS  14 -11.631  -4.445   0.485
   97    HA   CYS  14           HA       CYS  14  -9.506  -4.311  -1.309
   98   1HB   CYS  14          1HB       CYS  14  -9.664  -5.290   1.135
   99   2HB   CYS  14          2HB       CYS  14  -9.869  -6.823   0.292
  100    HA   PRO  15           HA       PRO  15 -11.317  -7.024  -4.431
  101   1HB   PRO  15          1HB       PRO  15  -9.749  -6.054  -6.468
  102   2HB   PRO  15          2HB       PRO  15 -11.237  -5.262  -5.921
  103   1HG   PRO  15          2HG       PRO  15  -8.406  -4.458  -5.457
  104   2HG   PRO  15          1HG       PRO  15  -9.866  -3.456  -5.481
  105   1HD   PRO  15          1HD       PRO  15  -8.497  -4.363  -3.165
  106   2HD   PRO  15          2HD       PRO  15 -10.106  -3.611  -3.208
  107    H    LEU  16           H        LEU  16  -8.065  -6.629  -3.322
  108    HA   LEU  16           HA       LEU  16  -6.889  -8.735  -4.956
  109   1HB   LEU  16          1HB       LEU  16  -5.942  -7.285  -2.474
  110   2HB   LEU  16          2HB       LEU  16  -4.972  -8.477  -3.343
  111    HG   LEU  16           HG       LEU  16  -6.025  -6.669  -5.272
  112   1HD1  LEU  16          1HD1      LEU  16  -5.744  -5.392  -2.767
  113   2HD1  LEU  16          2HD1      LEU  16  -4.344  -4.909  -3.724
  114   3HD1  LEU  16          3HD1      LEU  16  -5.972  -4.624  -4.339
  115   1HD2  LEU  16          1HD2      LEU  16  -3.603  -7.928  -4.541
  116   2HD2  LEU  16          2HD2      LEU  16  -3.937  -7.035  -6.024
  117   3HD2  LEU  16          3HD2      LEU  16  -3.250  -6.200  -4.630
  118    H    CYS  17           H        CYS  17  -8.475  -8.556  -1.827
  119    HA   CYS  17           HA       CYS  17  -8.197 -11.522  -1.630
  120   1HB   CYS  17          1HB       CYS  17  -7.686 -11.447   0.674
  121   2HB   CYS  17          2HB       CYS  17  -6.701 -10.151  -0.002
  122    H    MET  18           H        MET  18 -10.243  -9.065  -2.125
  123    HA   MET  18           HA       MET  18 -12.546  -8.805  -1.903
  124   1HB   MET  18          1HB       MET  18 -12.032 -11.650  -1.986
  125   2HB   MET  18          2HB       MET  18 -13.417 -11.309  -0.946
  126   1HG   MET  18          1HG       MET  18 -13.604  -9.635  -3.256
  127   2HG   MET  18          2HG       MET  18 -13.318 -11.289  -3.798
  128   1HE   MET  18          1HE       MET  18 -14.031 -13.003  -2.089
  129   2HE   MET  18          2HE       MET  18 -15.375 -12.839  -0.961
  130   3HE   MET  18          3HE       MET  18 -15.653 -13.477  -2.586
  131    H    GLU  19           H        GLU  19 -12.205  -7.402  -0.057
  132    HA   GLU  19           HA       GLU  19 -13.370  -8.528   2.413
  133   1HB   GLU  19          1HB       GLU  19 -10.552  -8.047   2.128
  134   2HB   GLU  19          2HB       GLU  19 -11.215  -6.889   3.283
  135   1HG   GLU  19          2HG       GLU  19 -11.192  -8.531   4.825
  136   2HG   GLU  19          1HG       GLU  19 -12.460  -9.332   3.897
  137    HA   PRO  20           HA       PRO  20 -15.140  -4.522   2.672
  138   1HB   PRO  20          1HB       PRO  20 -15.454  -4.292   5.392
  139   2HB   PRO  20          2HB       PRO  20 -16.452  -5.350   4.378
  140   1HG   PRO  20          2HG       PRO  20 -14.254  -6.079   6.257
  141   2HG   PRO  20          1HG       PRO  20 -15.644  -7.041   5.731
  142   1HD   PRO  20          1HD       PRO  20 -12.992  -7.291   4.769
  143   2HD   PRO  20          2HD       PRO  20 -14.442  -8.006   4.034
  144    H    LEU  21           H        LEU  21 -14.038  -2.615   2.349
  145    HA   LEU  21           HA       LEU  21 -11.595  -2.053   3.915
  146   1HB   LEU  21          1HB       LEU  21 -12.853  -0.938   1.431
  147   2HB   LEU  21          2HB       LEU  21 -11.728   0.073   2.337
  148    HG   LEU  21           HG       LEU  21 -11.080  -2.756   1.472
  149   1HD1  LEU  21          1HD1      LEU  21 -11.524  -1.033  -0.412
  150   2HD1  LEU  21          2HD1      LEU  21 -10.053  -0.243   0.152
  151   3HD1  LEU  21          3HD1      LEU  21  -9.990  -1.902  -0.444
  152   1HD2  LEU  21          1HD2      LEU  21  -9.855  -1.620   3.414
  153   2HD2  LEU  21          2HD2      LEU  21  -8.842  -2.197   2.091
  154   3HD2  LEU  21          3HD2      LEU  21  -9.230  -0.481   2.221
  155    H    GLU  22           H        GLU  22 -11.601  -0.672   5.639
  156    HA   GLU  22           HA       GLU  22 -14.136   0.690   6.317
  157   1HB   GLU  22          2HB       GLU  22 -11.537   0.530   7.876
  158   2HB   GLU  22          1HB       GLU  22 -13.085   1.109   8.489
  159   1HG   GLU  22          1HG       GLU  22 -12.786  -1.663   7.334
  160   2HG   GLU  22          2HG       GLU  22 -12.454  -1.329   9.034
  161    H    ILE  23           H        ILE  23 -12.912   2.836   7.815
  162    HA   ILE  23           HA       ILE  23 -12.432   4.680   5.576
  163    HB   ILE  23           HB       ILE  23 -12.949   4.976   8.527
  164   1HG1  ILE  23          2HG1      ILE  23 -14.731   6.491   7.628
  165   2HG1  ILE  23          1HG1      ILE  23 -14.191   6.100   5.996
  166   1HG2  ILE  23          1HG2      ILE  23 -11.917   7.136   6.661
  167   2HG2  ILE  23          2HG2      ILE  23 -12.619   7.440   8.249
  168   3HG2  ILE  23          3HG2      ILE  23 -11.114   6.530   8.110
  169   1HD1  ILE  23          1HD1      ILE  23 -14.648   3.701   6.432
  170   2HD1  ILE  23          2HD1      ILE  23 -15.230   4.118   8.043
  171   3HD1  ILE  23          3HD1      ILE  23 -16.099   4.685   6.617
  172    H    ASP  24           H        ASP  24 -10.662   3.565   8.482
  173    HA   ASP  24           HA       ASP  24  -8.265   5.053   7.669
  174   1HB   ASP  24          1HB       ASP  24  -9.042   3.318   9.975
  175   2HB   ASP  24          2HB       ASP  24  -7.322   3.499   9.620
  176    H    ASP  25           H        ASP  25  -9.576   2.549   6.218
  177    HA   ASP  25           HA       ASP  25  -7.012   1.035   5.945
  178   1HB   ASP  25          1HB       ASP  25  -9.875   0.180   5.427
  179   2HB   ASP  25          2HB       ASP  25  -8.463  -0.802   5.032
  180    H    ILE  26           H        ILE  26  -9.002   3.279   4.420
  181    HA   ILE  26           HA       ILE  26  -8.562   2.362   1.673
  182    HB   ILE  26           HB       ILE  26  -9.644   4.942   2.839
  183   1HG1  ILE  26          1HG1      ILE  26 -11.044   2.785   1.237
  184   2HG1  ILE  26          2HG1      ILE  26 -10.982   2.778   2.999
  185   1HG2  ILE  26          1HG2      ILE  26  -8.467   5.208   0.604
  186   2HG2  ILE  26          2HG2      ILE  26  -9.658   4.094  -0.069
  187   3HG2  ILE  26          3HG2      ILE  26 -10.178   5.640   0.603
  188   1HD1  ILE  26          1HD1      ILE  26 -11.759   5.378   2.388
  189   2HD1  ILE  26          2HD1      ILE  26 -12.633   4.396   1.212
  190   3HD1  ILE  26          3HD1      ILE  26 -12.825   4.084   2.937
  191    H    ASN  27           H        ASN  27  -7.791   5.586   2.964
  192    HA   ASN  27           HA       ASN  27  -5.694   6.184   1.227
  193   1HB   ASN  27          1HB       ASN  27  -6.815   7.421   3.410
  194   2HB   ASN  27          2HB       ASN  27  -5.189   7.063   3.994
  195   2HD2  ASN  27          2HD2      ASN  27  -6.787   8.395   1.040
  196   1HD2  ASN  27          1HD2      ASN  27  -5.582   9.552   0.735
  197    H    PHE  28           H        PHE  28  -5.683   3.939   3.883
  198    HA   PHE  28           HA       PHE  28  -2.811   3.864   4.239
  199   1HB   PHE  28          1HB       PHE  28  -4.170   3.038   6.037
  200   2HB   PHE  28          2HB       PHE  28  -5.024   1.928   4.964
  201    HD1  PHE  28           HD1      PHE  28  -1.467   2.751   5.872
  202    HD2  PHE  28           HD2      PHE  28  -4.380  -0.301   5.057
  203    HE1  PHE  28           HE1      PHE  28   0.241   1.004   6.300
  204    HE2  PHE  28           HE2      PHE  28  -2.672  -2.047   5.487
  205    HZ   PHE  28           HZ       PHE  28  -0.362  -1.394   6.109
  206    H    PHE  29           H        PHE  29  -1.901   3.616   2.133
  207    HA   PHE  29           HA       PHE  29  -2.428   0.947   0.889
  208   1HB   PHE  29          1HB       PHE  29  -1.417   2.126  -1.201
  209   2HB   PHE  29          2HB       PHE  29  -3.082   2.495  -0.762
  210    HD1  PHE  29           HD1      PHE  29   0.438   3.675  -0.205
  211    HD2  PHE  29           HD2      PHE  29  -3.734   4.705  -0.384
  212    HE1  PHE  29           HE1      PHE  29   1.016   6.076   0.033
  213    HE2  PHE  29           HE2      PHE  29  -3.155   7.102  -0.144
  214    HZ   PHE  29           HZ       PHE  29  -0.779   7.789   0.062
  215    HA   PRO  30           HA       PRO  30   1.820   0.188   1.795
  216   1HB   PRO  30          1HB       PRO  30   2.101  -2.058   0.231
  217   2HB   PRO  30          2HB       PRO  30   1.280  -2.055   1.802
  218   1HG   PRO  30          2HG       PRO  30   0.097  -2.188  -0.934
  219   2HG   PRO  30          1HG       PRO  30  -0.550  -2.796   0.599
  220   1HD   PRO  30          1HD       PRO  30  -1.353  -0.417  -0.704
  221   2HD   PRO  30          2HD       PRO  30  -1.727  -0.865   0.974
  222    H    CYS  31           H        CYS  31   0.632   1.349  -1.092
  223    HA   CYS  31           HA       CYS  31   3.378   1.779  -2.127
  224   1HB   CYS  31          1HB       CYS  31   2.245  -0.251  -3.247
  225   2HB   CYS  31          2HB       CYS  31   1.167   0.927  -3.997
  226    H    THR  32           H        THR  32   3.424   3.571  -3.733
  227    HA   THR  32           HA       THR  32   1.426   5.620  -3.007
  228    HB   THR  32           HB       THR  32   3.711   6.368  -2.974
  229    HG1  THR  32           HG1      THR  32   2.578   7.239  -5.420
  230   1HG2  THR  32          1HG2      THR  32   3.829   5.093  -5.707
  231   2HG2  THR  32          2HG2      THR  32   5.026   6.275  -5.178
  232   3HG2  THR  32          3HG2      THR  32   4.838   4.756  -4.300
  233    H    CYS  33           H        CYS  33   1.986   3.397  -5.565
  234    HA   CYS  33           HA       CYS  33   0.999   4.866  -7.789
  235   1HB   CYS  33          1HB       CYS  33   0.494   2.704  -8.801
  236   2HB   CYS  33          2HB       CYS  33   2.035   2.605  -7.951
  237    H    GLY  34           H        GLY  34  -0.701   3.188  -5.177
  238   1HA   GLY  34          2HA       GLY  34  -3.250   4.310  -6.274
  239   2HA   GLY  34          1HA       GLY  34  -2.885   4.284  -4.549
  240    H    TYR  35           H        TYR  35  -1.592   1.503  -5.172
  241    HA   TYR  35           HA       TYR  35  -4.023  -0.094  -5.677
  242   1HB   TYR  35          1HB       TYR  35  -1.495  -0.570  -6.405
  243   2HB   TYR  35          2HB       TYR  35  -1.445  -1.350  -4.826
  244    HD1  TYR  35           HD1      TYR  35  -4.325  -1.076  -7.198
  245    HD2  TYR  35           HD2      TYR  35  -1.438  -3.665  -5.338
  246    HE1  TYR  35           HE1      TYR  35  -5.485  -3.052  -8.138
  247    HE2  TYR  35           HE2      TYR  35  -2.596  -5.635  -6.290
  248    HH   TYR  35           HH       TYR  35  -4.210  -5.935  -8.495
  249    H    GLN  36           H        GLN  36  -4.146   1.508  -3.365
  250    HA   GLN  36           HA       GLN  36  -3.377   0.552  -0.909
  251   1HB   GLN  36          1HB       GLN  36  -6.118   0.975  -0.492
  252   2HB   GLN  36          2HB       GLN  36  -4.835   2.165  -0.302
  253   1HG   GLN  36          1HG       GLN  36  -5.107   2.900  -2.603
  254   2HG   GLN  36          2HG       GLN  36  -6.274   1.613  -2.914
  255   2HE2  GLN  36          2HE2      GLN  36  -5.909   4.843  -1.730
  256   1HE2  GLN  36          1HE2      GLN  36  -7.506   5.061  -1.200
  257    H    ILE  37           H        ILE  37  -4.500  -0.874   0.672
  258    HA   ILE  37           HA       ILE  37  -6.220  -2.980  -0.449
  259    HB   ILE  37           HB       ILE  37  -4.522  -4.718   0.511
  260   1HG1  ILE  37          2HG1      ILE  37  -2.140  -3.845   0.070
  261   2HG1  ILE  37          1HG1      ILE  37  -2.839  -2.229   0.151
  262   1HG2  ILE  37          1HG2      ILE  37  -5.057  -3.726  -2.023
  263   2HG2  ILE  37          2HG2      ILE  37  -3.299  -3.639  -1.920
  264   3HG2  ILE  37          3HG2      ILE  37  -4.121  -5.178  -1.667
  265   1HD1  ILE  37          1HD1      ILE  37  -3.090  -4.322   2.330
  266   2HD1  ILE  37          2HD1      ILE  37  -1.930  -2.993   2.347
  267   3HD1  ILE  37          3HD1      ILE  37  -3.659  -2.655   2.410
  268    H    CYS  38           H        CYS  38  -6.147  -4.812   1.545
  269    HA   CYS  38           HA       CYS  38  -7.138  -3.243   3.840
  270   1HB   CYS  38          1HB       CYS  38  -8.206  -5.245   4.563
  271   2HB   CYS  38          2HB       CYS  38  -8.380  -5.239   2.810
  272    H    ARG  39           H        ARG  39  -6.531  -4.214   6.087
  273    HA   ARG  39           HA       ARG  39  -3.637  -4.105   6.310
  274   1HB   ARG  39          1HB       ARG  39  -5.926  -4.394   8.224
  275   2HB   ARG  39          2HB       ARG  39  -4.299  -4.788   8.779
  276   1HG   ARG  39          1HG       ARG  39  -3.588  -2.615   8.670
  277   2HG   ARG  39          2HG       ARG  39  -4.578  -2.254   7.255
  278   1HD   ARG  39          1HD       ARG  39  -6.223  -1.410   8.540
  279   2HD   ARG  39          2HD       ARG  39  -6.251  -2.860   9.544
  280    HE   ARG  39           HE       ARG  39  -4.559  -1.829  10.978
  281   1HH1  ARG  39          1HH1      ARG  39  -2.871  -0.007  10.118
  282   2HH1  ARG  39          2HH1      ARG  39  -3.648   1.540  10.084
  283   1HH2  ARG  39          1HH2      ARG  39  -6.855   0.227  10.216
  284   2HH2  ARG  39          2HH2      ARG  39  -5.903   1.673  10.139
  285    H    PHE  40           H        PHE  40  -5.916  -6.634   5.850
  286    HA   PHE  40           HA       PHE  40  -4.225  -8.729   7.023
  287   1HB   PHE  40          1HB       PHE  40  -6.695  -8.894   5.266
  288   2HB   PHE  40          2HB       PHE  40  -5.915 -10.271   6.047
  289    HD1  PHE  40           HD1      PHE  40  -5.234  -9.433   8.683
  290    HD2  PHE  40           HD2      PHE  40  -8.686  -8.363   6.362
  291    HE1  PHE  40           HE1      PHE  40  -6.491  -8.967  10.769
  292    HE2  PHE  40           HE2      PHE  40  -9.944  -7.897   8.447
  293    HZ   PHE  40           HZ       PHE  40  -8.847  -8.198  10.651
  294    H    CYS  41           H        CYS  41  -4.384  -7.023   4.067
  295    HA   CYS  41           HA       CYS  41  -3.134  -9.195   2.499
  296   1HB   CYS  41          1HB       CYS  41  -4.274  -6.501   1.897
  297   2HB   CYS  41          2HB       CYS  41  -3.007  -7.100   0.830
  298    H    TRP  42           H        TRP  42  -2.306  -6.152   4.059
  299    HA   TRP  42           HA       TRP  42   0.408  -6.107   2.974
  300   1HB   TRP  42          1HB       TRP  42  -0.696  -4.006   3.545
  301   2HB   TRP  42          2HB       TRP  42  -0.914  -4.540   5.211
  302    HD1  TRP  42           HD1      TRP  42   1.933  -3.777   2.717
  303    HE1  TRP  42           HE1      TRP  42   3.979  -2.963   4.061
  304    HE3  TRP  42           HE3      TRP  42   0.164  -4.379   7.469
  305    HZ2  TRP  42           HZ2      TRP  42   4.760  -2.615   6.791
  306    HZ3  TRP  42           HZ3      TRP  42   1.577  -3.799   9.421
  307    HH2  TRP  42           HH2      TRP  42   3.872  -2.918   9.087
  308    H    HIS  43           H        HIS  43  -1.195  -7.648   5.597
  309    HA   HIS  43           HA       HIS  43   1.222  -7.938   7.244
  310   1HB   HIS  43          1HB       HIS  43  -1.643  -8.539   7.500
  311   2HB   HIS  43          2HB       HIS  43  -0.603  -9.794   8.175
  312    HD1  HIS  43           HD1      HIS  43   0.303  -9.347  10.461
  313    HD2  HIS  43           HD2      HIS  43  -0.902  -5.833   8.567
  314    HE1  HIS  43           HE1      HIS  43   0.560  -7.491  12.165
  315    H    ARG  44           H        ARG  44   0.340  -9.260   4.375
  316    HA   ARG  44           HA       ARG  44   1.628 -11.878   5.044
  317   1HB   ARG  44          1HB       ARG  44  -0.752 -12.131   4.403
  318   2HB   ARG  44          2HB       ARG  44  -0.420 -11.302   2.882
  319   1HG   ARG  44          1HG       ARG  44   0.956 -13.061   2.092
  320   2HG   ARG  44          2HG       ARG  44   1.119 -13.766   3.701
  321   1HD   ARG  44          1HD       ARG  44  -1.631 -13.518   2.558
  322   2HD   ARG  44          2HD       ARG  44  -0.582 -14.782   1.917
  323    HE   ARG  44           HE       ARG  44  -0.301 -15.362   4.476
  324   1HH1  ARG  44          1HH1      ARG  44  -2.289 -13.702   5.682
  325   2HH1  ARG  44          2HH1      ARG  44  -3.759 -14.612   5.558
  326   1HH2  ARG  44          1HH2      ARG  44  -2.545 -16.747   3.111
  327   2HH2  ARG  44          2HH2      ARG  44  -3.904 -16.335   4.103
  328    H    ILE  45           H        ILE  45   1.474  -9.134   2.868
  329    HA   ILE  45           HA       ILE  45   3.315 -10.270   0.916
  330    HB   ILE  45           HB       ILE  45   2.441  -7.405   1.403
  331   1HG1  ILE  45          1HG1      ILE  45   1.558  -8.895  -0.990
  332   2HG1  ILE  45          2HG1      ILE  45   0.925  -9.517   0.534
  333   1HG2  ILE  45          1HG2      ILE  45   4.594  -7.550   0.200
  334   2HG2  ILE  45          2HG2      ILE  45   3.871  -8.668  -0.957
  335   3HG2  ILE  45          3HG2      ILE  45   3.306  -7.000  -0.872
  336   1HD1  ILE  45          1HD1      ILE  45   0.382  -7.034   1.072
  337   2HD1  ILE  45          2HD1      ILE  45   0.586  -6.771  -0.659
  338   3HD1  ILE  45          3HD1      ILE  45  -0.655  -7.880  -0.077
  339    H    ARG  46           H        ARG  46   3.607  -7.899   3.576
  340    HA   ARG  46           HA       ARG  46   6.536  -7.816   3.184
  341   1HB   ARG  46          1HB       ARG  46   5.044  -5.796   3.806
  342   2HB   ARG  46          2HB       ARG  46   5.017  -6.488   5.428
  343   1HG   ARG  46          1HG       ARG  46   7.422  -6.365   5.599
  344   2HG   ARG  46          2HG       ARG  46   7.568  -5.904   3.901
  345   1HD   ARG  46          1HD       ARG  46   6.988  -3.733   4.306
  346   2HD   ARG  46          2HD       ARG  46   5.800  -4.175   5.530
  347    HE   ARG  46           HE       ARG  46   7.650  -4.359   7.151
  348   1HH1  ARG  46          1HH1      ARG  46   7.769  -1.955   4.875
  349   2HH1  ARG  46          2HH1      ARG  46   9.462  -1.622   5.027
  350   1HH2  ARG  46          1HH2      ARG  46  10.103  -4.402   7.000
  351   2HH2  ARG  46          2HH2      ARG  46  10.783  -3.008   6.229
  352    H    THR  47           H        THR  47   5.063 -10.279   4.140
  353    HA   THR  47           HA       THR  47   6.601 -10.625   6.684
  354    HB   THR  47           HB       THR  47   3.961 -11.957   6.010
  355    HG1  THR  47           HG1      THR  47   4.221  -9.522   6.573
  356   1HG2  THR  47          1HG2      THR  47   5.926 -12.106   8.242
  357   2HG2  THR  47          2HG2      THR  47   4.217 -12.138   8.677
  358   3HG2  THR  47          3HG2      THR  47   4.871 -13.359   7.586
  359    H    ASP  48           H        ASP  48   4.847 -12.690   4.330
  360    HA   ASP  48           HA       ASP  48   7.140 -14.579   4.430
  361   1HB   ASP  48          1HB       ASP  48   4.272 -14.800   3.524
  362   2HB   ASP  48          2HB       ASP  48   5.470 -15.999   3.031
  363    H    GLU  49           H        GLU  49   6.144 -11.985   2.589
  364    HA   GLU  49           HA       GLU  49   7.341 -13.132   0.101
  365   1HB   GLU  49          1HB       GLU  49   4.923 -11.894   0.361
  366   2HB   GLU  49          2HB       GLU  49   5.955 -10.522  -0.049
  367   1HG   GLU  49          1HG       GLU  49   6.405 -11.312  -2.155
  368   2HG   GLU  49          2HG       GLU  49   6.342 -13.001  -1.647
  369    H    ASN  50           H        ASN  50   7.656 -10.352  -0.945
  370    HA   ASN  50           HA       ASN  50  10.162  -9.716   0.539
  371   1HB   ASN  50          1HB       ASN  50  10.006 -10.210  -2.054
  372   2HB   ASN  50          2HB       ASN  50   9.495  -8.523  -2.131
  373   2HD2  ASN  50          2HD2      ASN  50  12.026  -9.464  -3.209
  374   1HD2  ASN  50          1HD2      ASN  50  13.267  -8.732  -2.311
  375    H    GLY  51           H        GLY  51   7.132  -8.330  -0.621
  376   1HA   GLY  51          2HA       GLY  51   7.696  -5.947   1.087
  377   2HA   GLY  51          1HA       GLY  51   6.082  -6.542   0.698
  378    H    LEU  52           H        LEU  52   6.892  -6.979  -2.163
  379    HA   LEU  52           HA       LEU  52   7.347  -4.191  -3.070
  380   1HB   LEU  52          1HB       LEU  52   7.403  -6.879  -4.438
  381   2HB   LEU  52          2HB       LEU  52   7.324  -5.388  -5.375
  382    HG   LEU  52           HG       LEU  52   9.483  -6.206  -3.413
  383   1HD1  LEU  52          1HD1      LEU  52   9.272  -5.863  -6.393
  384   2HD1  LEU  52          2HD1      LEU  52  10.825  -5.620  -5.594
  385   3HD1  LEU  52          3HD1      LEU  52  10.006  -7.178  -5.474
  386   1HD2  LEU  52          1HD2      LEU  52   8.711  -3.546  -4.542
  387   2HD2  LEU  52          2HD2      LEU  52   9.425  -3.933  -2.977
  388   3HD2  LEU  52          3HD2      LEU  52  10.431  -3.920  -4.426
  389    H    CYS  53           H        CYS  53   5.958  -3.634  -5.118
  390    HA   CYS  53           HA       CYS  53   3.139  -3.915  -4.291
  391   1HB   CYS  53          1HB       CYS  53   4.017  -1.681  -4.871
  392   2HB   CYS  53          2HB       CYS  53   4.388  -2.254  -6.496
  393    HA   PRO  54           HA       PRO  54   2.709  -7.062  -7.445
  394   1HB   PRO  54          1HB       PRO  54   0.185  -7.816  -6.669
  395   2HB   PRO  54          2HB       PRO  54   1.660  -8.358  -5.849
  396   1HG   PRO  54          2HG       PRO  54  -0.362  -6.368  -4.944
  397   2HG   PRO  54          1HG       PRO  54   0.757  -7.348  -3.982
  398   1HD   PRO  54          1HD       PRO  54   1.066  -4.598  -4.650
  399   2HD   PRO  54          2HD       PRO  54   2.286  -5.648  -3.897
  400    H    ALA  55           H        ALA  55   1.735  -4.055  -7.642
  401    HA   ALA  55           HA       ALA  55  -0.224  -4.608  -9.824
  402   1HB   ALA  55          1HB       ALA  55  -0.467  -2.768  -7.489
  403   2HB   ALA  55          3HB       ALA  55  -1.075  -2.189  -9.041
  404   3HB   ALA  55          2HB       ALA  55  -1.716  -3.676  -8.341
  405    H    CYS  56           H        CYS  56   2.382  -2.578  -8.572
  406    HA   CYS  56           HA       CYS  56   2.766  -1.590 -11.353
  407   1HB   CYS  56          1HB       CYS  56   2.858   0.654 -10.745
  408   2HB   CYS  56          2HB       CYS  56   1.598   0.065  -9.666
  409    H    ARG  57           H        ARG  57   4.082  -3.401  -9.054
  410    HA   ARG  57           HA       ARG  57   6.284  -4.013  -8.508
  411   1HB   ARG  57          1HB       ARG  57   7.274  -2.474 -10.885
  412   2HB   ARG  57          2HB       ARG  57   7.775  -4.059 -10.295
  413   1HG   ARG  57          1HG       ARG  57   5.121  -3.421 -11.618
  414   2HG   ARG  57          2HG       ARG  57   6.464  -4.286 -12.366
  415   1HD   ARG  57          1HD       ARG  57   5.821  -5.485  -9.818
  416   2HD   ARG  57          2HD       ARG  57   4.375  -5.392 -10.824
  417    HE   ARG  57           HE       ARG  57   5.785  -6.554 -12.612
  418   1HH1  ARG  57          1HH1      ARG  57   8.398  -6.680 -11.351
  419   2HH1  ARG  57          2HH1      ARG  57   8.396  -8.211 -10.543
  420   1HH2  ARG  57          1HH2      ARG  57   4.950  -8.571 -10.667
  421   2HH2  ARG  57          2HH2      ARG  57   6.442  -9.283 -10.156
  422    H    LYS  58           H        LYS  58   6.280  -2.573  -6.646
  423    HA   LYS  58           HA       LYS  58   8.391  -0.554  -6.804
  424   1HB   LYS  58          1HB       LYS  58   5.783   0.329  -7.230
  425   2HB   LYS  58          2HB       LYS  58   6.066   0.662  -5.522
  426   1HG   LYS  58          1HG       LYS  58   7.387   2.405  -6.045
  427   2HG   LYS  58          2HG       LYS  58   8.415   1.364  -7.029
  428   1HD   LYS  58          2HD       LYS  58   7.602   2.318  -8.895
  429   2HD   LYS  58          1HD       LYS  58   5.976   1.791  -8.456
  430   1HE   LYS  58          1HE       LYS  58   5.456   3.970  -8.197
  431   2HE   LYS  58          2HE       LYS  58   6.480   3.953  -6.760
  432   1HZ   LYS  58          1HZ       LYS  58   7.639   4.337  -9.446
  433   2HZ   LYS  58          2HZ       LYS  58   6.982   5.649  -8.588
  434   3HZ   LYS  58          3HZ       LYS  58   8.281   4.775  -7.936
  435    HA   PRO  59           HA       PRO  59   8.829  -2.068  -2.718
  436   1HB   PRO  59          1HB       PRO  59  10.525  -0.119  -1.759
  437   2HB   PRO  59          2HB       PRO  59  11.038  -1.427  -2.840
  438   1HG   PRO  59          2HG       PRO  59  10.569   1.455  -3.465
  439   2HG   PRO  59          1HG       PRO  59  11.654   0.297  -4.254
  440   1HD   PRO  59          1HD       PRO  59   9.147   1.127  -5.246
  441   2HD   PRO  59          2HD       PRO  59  10.061  -0.293  -5.799
  442    H    TYR  60           H        TYR  60   7.201  -1.889  -1.242
  443    HA   TYR  60           HA       TYR  60   5.436   0.191  -0.828
  444   1HB   TYR  60          1HB       TYR  60   6.582  -1.762   1.180
  445   2HB   TYR  60          2HB       TYR  60   5.256  -0.668   1.568
  446    HD1  TYR  60           HD1      TYR  60   4.829  -1.259  -1.807
  447    HD2  TYR  60           HD2      TYR  60   4.492  -3.303   1.957
  448    HE1  TYR  60           HE1      TYR  60   3.214  -2.842  -2.810
  449    HE2  TYR  60           HE2      TYR  60   2.878  -4.890   0.948
  450    HH   TYR  60           HH       TYR  60   1.780  -4.506  -2.414
  451    HA   PRO  61           HA       PRO  61   8.067   3.330   0.909
  452   1HB   PRO  61          1HB       PRO  61   6.086   5.208   1.217
  453   2HB   PRO  61          2HB       PRO  61   6.844   4.840  -0.342
  454   1HG   PRO  61          2HG       PRO  61   4.130   4.112   0.637
  455   2HG   PRO  61          1HG       PRO  61   4.713   4.283  -1.027
  456   1HD   PRO  61          1HD       PRO  61   4.311   1.844   0.388
  457   2HD   PRO  61          2HD       PRO  61   5.107   2.035  -1.188
  458    H    GLU  62           H        GLU  62   7.156   1.280   2.730
  459    HA   GLU  62           HA       GLU  62   5.698   2.425   4.944
  460   1HB   GLU  62          1HB       GLU  62   6.714  -0.124   4.221
  461   2HB   GLU  62          2HB       GLU  62   7.426   0.282   5.784
  462   1HG   GLU  62          1HG       GLU  62   4.510   0.815   5.399
  463   2HG   GLU  62          2HG       GLU  62   5.022  -0.859   5.615
  464    H    ASP  63           H        ASP  63   6.799   2.470   7.196
  465    HA   ASP  63           HA       ASP  63   8.426   3.373   8.625
  466   1HB   ASP  63          1HB       ASP  63   9.891   2.045   6.578
  467   2HB   ASP  63          2HB       ASP  63  10.679   3.597   6.864
  468    HA   PRO  64           HA       PRO  64   7.905   7.347   6.247
  469   1HB   PRO  64          1HB       PRO  64   5.780   8.305   7.705
  470   2HB   PRO  64          2HB       PRO  64   5.600   7.337   6.232
  471   1HG   PRO  64          2HG       PRO  64   5.175   6.529   9.069
  472   2HG   PRO  64          1HG       PRO  64   4.456   5.863   7.594
  473   1HD   PRO  64          1HD       PRO  64   6.587   4.716   9.073
  474   2HD   PRO  64          2HD       PRO  64   6.064   4.237   7.443
  475    H    ALA  65           H        ALA  65   8.317   6.328   9.508
  476    HA   ALA  65           HA       ALA  65   8.548   8.758  10.921
  477   1HB   ALA  65          1HB       ALA  65  10.214   7.516  12.351
  478   2HB   ALA  65          2HB       ALA  65  10.144   6.194  11.188
  479   3HB   ALA  65          3HB       ALA  65   8.701   6.647  12.096
  480    H    VAL  66           H        VAL  66  10.727   7.276   8.600
  481    HA   VAL  66           HA       VAL  66  12.389   9.748   8.712
  482    HB   VAL  66           HB       VAL  66  13.538   6.950   8.489
  483   1HG1  VAL  66          1HG1      VAL  66  14.553   9.598   7.973
  484   2HG1  VAL  66          2HG1      VAL  66  15.424   8.890   9.335
  485   3HG1  VAL  66          3HG1      VAL  66  15.373   8.047   7.787
  486   1HG2  VAL  66          1HG2      VAL  66  12.744   8.535  10.810
  487   2HG2  VAL  66          2HG2      VAL  66  13.270   6.854  10.734
  488   3HG2  VAL  66          3HG2      VAL  66  14.464   8.149  10.835
  489    H    TYR  67           H        TYR  67  12.152   6.657   6.906
  490    HA   TYR  67           HA       TYR  67  11.926   6.283   4.599
  491   1HB   TYR  67          1HB       TYR  67  10.095   8.066   4.965
  492   2HB   TYR  67          2HB       TYR  67  11.263   9.215   4.310
  493    HD1  TYR  67           HD1      TYR  67  10.038   5.750   3.515
  494    HD2  TYR  67           HD2      TYR  67  11.096   9.640   2.036
  495    HE1  TYR  67           HE1      TYR  67   9.456   5.034   1.212
  496    HE2  TYR  67           HE2      TYR  67  10.515   8.925  -0.265
  497    HH   TYR  67           HH       TYR  67  10.428   6.542  -1.480
  498    H    LYS  68           H        LYS  68  13.057   6.799   2.545
  499    HA   LYS  68           HA       LYS  68  15.556   8.364   3.050
  500   1HB   LYS  68          1HB       LYS  68  15.256   5.664   2.335
  501   2HB   LYS  68          2HB       LYS  68  15.758   6.482   0.855
  502   1HG   LYS  68          1HG       LYS  68  17.321   7.586   2.941
  503   2HG   LYS  68          2HG       LYS  68  17.339   5.838   3.177
  504   1HD   LYS  68          1HD       LYS  68  18.390   5.434   1.161
  505   2HD   LYS  68          2HD       LYS  68  17.708   6.871   0.397
  506   1HE   LYS  68          1HE       LYS  68  19.267   8.309   1.439
  507   2HE   LYS  68          2HE       LYS  68  19.707   7.098   2.644
  508   1HZ   LYS  68          1HZ       LYS  68  20.534   5.735   0.711
  509   2HZ   LYS  68          2HZ       LYS  68  20.391   7.139  -0.234
  510   3HZ   LYS  68          3HZ       LYS  68  21.445   7.116   1.094
  511    HA   PRO  69           HA       PRO  69  13.632  10.660  -0.335
  512   1HB   PRO  69          1HB       PRO  69  15.038  12.969   0.175
  513   2HB   PRO  69          2HB       PRO  69  13.549  12.519   1.025
  514   1HG   PRO  69          2HG       PRO  69  16.368  12.424   1.998
  515   2HG   PRO  69          1HG       PRO  69  14.868  12.614   2.920
  516   1HD   PRO  69          1HD       PRO  69  16.361  10.225   2.674
  517   2HD   PRO  69          2HD       PRO  69  14.698  10.355   3.285
  518    H    LEU  70           H        LEU  70  16.760   9.513   0.186
  519    HA   LEU  70           HA       LEU  70  18.666   9.356  -1.185
  520   1HB   LEU  70          1HB       LEU  70  16.310   8.946  -2.779
  521   2HB   LEU  70          2HB       LEU  70  17.516   9.790  -3.749
  522    HG   LEU  70           HG       LEU  70  18.960   7.840  -2.337
  523   1HD1  LEU  70          1HD1      LEU  70  16.332   6.774  -3.407
  524   2HD1  LEU  70          2HD1      LEU  70  17.728   5.759  -3.044
  525   3HD1  LEU  70          3HD1      LEU  70  16.931   6.657  -1.752
  526   1HD2  LEU  70          1HD2      LEU  70  17.933   8.065  -5.174
  527   2HD2  LEU  70          2HD2      LEU  70  19.544   8.447  -4.567
  528   3HD2  LEU  70          3HD2      LEU  70  19.018   6.768  -4.673
  529    H    SER  71           H        SER  71  18.603  11.829  -0.127
  530    HA   SER  71           HA       SER  71  19.207  13.615  -2.454
  531   1HB   SER  71          1HB       SER  71  18.571  15.512  -0.920
  532   2HB   SER  71          2HB       SER  71  17.225  14.464  -1.359
  533    HG   SER  71           HG       SER  71  17.003  14.367   0.741
  534    H    GLN  72           H        GLN  72  21.151  14.755  -2.331
  535    HA   GLN  72           HA       GLN  72  23.307  13.724  -0.872
  536   1HB   GLN  72          1HB       GLN  72  22.782  16.381  -2.166
  537   2HB   GLN  72          2HB       GLN  72  24.237  16.176  -1.190
  538   1HG   GLN  72          2HG       GLN  72  25.104  15.418  -3.170
  539   2HG   GLN  72          1HG       GLN  72  24.356  13.907  -2.655
  540   2HE2  GLN  72          2HE2      GLN  72  22.887  13.010  -4.111
  541   1HE2  GLN  72          1HE2      GLN  72  22.124  13.859  -5.367
  542    H    GLU  73           H        GLU  73  21.988  16.967  -0.133
  543    HA   GLU  73           HA       GLU  73  21.399  16.421   2.609
  544   1HB   GLU  73          1HB       GLU  73  24.121  16.423   2.189
  545   2HB   GLU  73          2HB       GLU  73  23.819  18.096   2.662
  546   1HG   GLU  73          1HG       GLU  73  22.270  16.765   4.474
  547   2HG   GLU  73          2HG       GLU  73  23.593  15.616   4.258
  548    H    GLU  74           H        GLU  74  22.453  19.046   3.536
  549    HA   GLU  74           HA       GLU  74  20.543  20.769   2.015
  550   1HB   GLU  74          1HB       GLU  74  21.474  20.833   4.894
  551   2HB   GLU  74          2HB       GLU  74  20.575  22.157   4.151
  552   1HG   GLU  74          1HG       GLU  74  19.441  19.434   3.787
  553   2HG   GLU  74          2HG       GLU  74  19.361  20.104   5.417
  554    H    LEU  75           H        LEU  75  23.832  20.447   3.140
  555    HA   LEU  75           HA       LEU  75  25.747  21.690   2.601
  556   1HB   LEU  75          1HB       LEU  75  23.799  22.383   0.486
  557   2HB   LEU  75          2HB       LEU  75  25.084  23.567   0.733
  558    HG   LEU  75           HG       LEU  75  26.643  21.449   0.746
  559   1HD1  LEU  75          1HD1      LEU  75  24.129  20.491  -0.644
  560   2HD1  LEU  75          2HD1      LEU  75  25.707  19.744  -0.895
  561   3HD1  LEU  75          3HD1      LEU  75  24.969  19.730   0.707
  562   1HD2  LEU  75          1HD2      LEU  75  25.335  22.543  -1.766
  563   2HD2  LEU  75          2HD2      LEU  75  26.735  23.228  -0.942
  564   3HD2  LEU  75          3HD2      LEU  75  26.859  21.655  -1.729
  565    H    GLN  76           H        GLN  76  26.684  23.534   3.481
  566    HA   GLN  76           HA       GLN  76  25.182  25.971   3.961
  567   1HB   GLN  76          1HB       GLN  76  25.383  23.901   6.077
  568   2HB   GLN  76          2HB       GLN  76  25.756  25.551   6.579
  569   1HG   GLN  76          1HG       GLN  76  23.574  26.194   5.324
  570   2HG   GLN  76          2HG       GLN  76  23.193  24.474   5.414
  571   2HE2  GLN  76          2HE2      GLN  76  21.590  24.460   7.047
  572   1HE2  GLN  76          1HE2      GLN  76  21.839  25.054   8.618
  573    H    ARG  77           H        ARG  77  27.910  24.051   5.266
  574    HA   ARG  77           HA       ARG  77  29.824  26.041   4.320
  575   1HB   ARG  77          1HB       ARG  77  28.716  26.663   6.729
  576   2HB   ARG  77          2HB       ARG  77  30.070  25.660   7.248
  577   1HG   ARG  77          1HG       ARG  77  31.657  27.062   6.128
  578   2HG   ARG  77          2HG       ARG  77  30.382  27.933   5.277
  579   1HD   ARG  77          1HD       ARG  77  30.163  27.939   8.230
  580   2HD   ARG  77          2HD       ARG  77  31.539  28.827   7.573
  581    HE   ARG  77           HE       ARG  77  28.815  29.701   7.466
  582   1HH1  ARG  77          1HH1      ARG  77  31.730  29.466   5.625
  583   2HH1  ARG  77          2HH1      ARG  77  31.338  30.802   4.596
  584   1HH2  ARG  77          1HH2      ARG  77  28.281  31.422   6.105
  585   2HH2  ARG  77          2HH2      ARG  77  29.390  31.907   4.867
  586    H    ILE  78           H        ILE  78  32.030  25.268   4.579
  587    HA   ILE  78           HA       ILE  78  32.340  22.539   5.696
  588    HB   ILE  78           HB       ILE  78  31.725  22.461   3.198
  589   1HG1  ILE  78          1HG1      ILE  78  32.867  20.634   4.520
  590   2HG1  ILE  78          2HG1      ILE  78  33.244  20.630   2.798
  591   1HG2  ILE  78          1HG2      ILE  78  33.833  24.336   3.076
  592   2HG2  ILE  78          2HG2      ILE  78  34.452  22.862   2.332
  593   3HG2  ILE  78          3HG2      ILE  78  32.974  23.605   1.721
  594   1HD1  ILE  78          1HD1      ILE  78  35.174  22.318   3.864
  595   2HD1  ILE  78          2HD1      ILE  78  35.019  21.056   5.084
  596   3HD1  ILE  78          3HD1      ILE  78  35.416  20.630   3.421

  No H/Q in entry =         596
  Start of MODEL   24
    1    H1   MET   1           H1       MET   1 -36.547   2.416  -9.822
    2    H2   MET   1           H2       MET   1 -36.141   2.687  -8.195
    3    H3   MET   1           H3       MET   1 -35.410   3.609  -9.420
    4    HA   MET   1           HA       MET   1 -33.739   2.169  -9.395
    5   1HB   MET   1          1HB       MET   1 -35.192   1.323  -7.217
    6   2HB   MET   1          2HB       MET   1 -35.108  -0.144  -8.194
    7   1HG   MET   1          1HG       MET   1 -32.688  -0.006  -8.295
    8   2HG   MET   1          2HG       MET   1 -32.705   1.562  -7.487
    9   1HE   MET   1          1HE       MET   1 -30.941  -0.551  -6.788
   10   2HE   MET   1          2HE       MET   1 -30.961   0.541  -5.404
   11   3HE   MET   1          3HE       MET   1 -31.127  -1.194  -5.151
   12    H    SER   2           H        SER   2 -35.045   2.305 -11.719
   13    HA   SER   2           HA       SER   2 -35.837  -0.415 -12.571
   14   1HB   SER   2          1HB       SER   2 -37.156   1.526 -13.363
   15   2HB   SER   2          2HB       SER   2 -35.715   2.185 -14.132
   16    HG   SER   2           HG       SER   2 -37.271   0.801 -15.404
   17    H    ARG   3           H        ARG   3 -33.037   0.219 -11.793
   18    HA   ARG   3           HA       ARG   3 -30.887  -0.322 -12.564
   19   1HB   ARG   3          1HB       ARG   3 -32.675  -2.025 -13.935
   20   2HB   ARG   3          2HB       ARG   3 -31.566  -1.403 -15.159
   21   1HG   ARG   3          1HG       ARG   3 -29.770  -2.489 -14.270
   22   2HG   ARG   3          2HG       ARG   3 -30.298  -2.210 -12.609
   23   1HD   ARG   3          1HD       ARG   3 -31.986  -3.983 -12.830
   24   2HD   ARG   3          2HD       ARG   3 -31.505  -4.249 -14.505
   25    HE   ARG   3           HE       ARG   3 -29.230  -4.513 -12.760
   26   1HH1  ARG   3          1HH1      ARG   3 -31.970  -6.046 -14.162
   27   2HH1  ARG   3          2HH1      ARG   3 -31.478  -7.644 -13.711
   28   1HH2  ARG   3          1HH2      ARG   3 -28.654  -6.583 -12.005
   29   2HH2  ARG   3          2HH2      ARG   3 -29.603  -7.948 -12.491
   30    H    SER   4           H        SER   4 -32.565   2.113 -13.572
   31    HA   SER   4           HA       SER   4 -31.382   2.733 -16.159
   32   1HB   SER   4          1HB       SER   4 -33.216   4.057 -16.061
   33   2HB   SER   4          2HB       SER   4 -33.290   3.966 -14.305
   34    HG   SER   4           HG       SER   4 -32.576   5.941 -14.402
   35    HA   PRO   5           HA       PRO   5 -28.596   5.586 -13.530
   36   1HB   PRO   5          1HB       PRO   5 -28.800   5.404 -10.797
   37   2HB   PRO   5          2HB       PRO   5 -29.768   6.518 -11.778
   38   1HG   PRO   5          2HG       PRO   5 -30.597   3.976 -10.456
   39   2HG   PRO   5          1HG       PRO   5 -31.575   5.390 -10.878
   40   1HD   PRO   5          1HD       PRO   5 -31.473   2.955 -12.316
   41   2HD   PRO   5          2HD       PRO   5 -32.178   4.480 -12.894
   42    H    ASP   6           H        ASP   6 -26.747   4.400 -14.025
   43    HA   ASP   6           HA       ASP   6 -26.185   1.805 -12.870
   44   1HB   ASP   6          1HB       ASP   6 -24.882   3.665 -14.754
   45   2HB   ASP   6          2HB       ASP   6 -23.760   2.705 -13.789
   46    H    ALA   7           H        ALA   7 -23.981   4.593 -12.675
   47    HA   ALA   7           HA       ALA   7 -22.628   5.303 -10.891
   48   1HB   ALA   7          1HB       ALA   7 -24.833   6.103 -10.092
   49   2HB   ALA   7          3HB       ALA   7 -25.107   4.545  -9.313
   50   3HB   ALA   7          2HB       ALA   7 -23.807   5.597  -8.751
   51    H    LYS   8           H        LYS   8 -21.107   3.551 -11.050
   52    HA   LYS   8           HA       LYS   8 -20.794   2.002  -8.667
   53   1HB   LYS   8          1HB       LYS   8 -22.385   0.795 -10.821
   54   2HB   LYS   8          2HB       LYS   8 -21.012  -0.197 -10.329
   55   1HG   LYS   8          1HG       LYS   8 -21.949   0.581  -7.898
   56   2HG   LYS   8          2HG       LYS   8 -23.453   0.529  -8.818
   57   1HD   LYS   8          1HD       LYS   8 -21.448  -1.735  -8.851
   58   2HD   LYS   8          2HD       LYS   8 -22.776  -1.659  -7.692
   59   1HE   LYS   8          1HE       LYS   8 -23.905  -2.795  -9.322
   60   2HE   LYS   8          2HE       LYS   8 -24.127  -1.181  -9.998
   61   1HZ   LYS   8          1HZ       LYS   8 -21.619  -2.098 -10.794
   62   2HZ   LYS   8          2HZ       LYS   8 -22.724  -3.354 -11.090
   63   3HZ   LYS   8          3HZ       LYS   8 -22.986  -1.819 -11.764
   64    H    GLU   9           H        GLU   9 -18.867   3.429  -9.527
   65    HA   GLU   9           HA       GLU   9 -17.019   1.560 -10.930
   66   1HB   GLU   9          1HB       GLU   9 -18.047   3.516 -12.382
   67   2HB   GLU   9          2HB       GLU   9 -16.856   4.496 -11.524
   68   1HG   GLU   9          1HG       GLU   9 -15.045   3.098 -12.299
   69   2HG   GLU   9          2HG       GLU   9 -16.173   1.929 -12.983
   70    H    ASP  10           H        ASP  10 -17.268   2.146  -8.120
   71    HA   ASP  10           HA       ASP  10 -14.525   3.149  -7.652
   72   1HB   ASP  10          1HB       ASP  10 -16.984   4.608  -6.949
   73   2HB   ASP  10          2HB       ASP  10 -15.877   4.385  -5.595
   74    HA   PRO  11           HA       PRO  11 -15.931  -0.389  -4.986
   75   1HB   PRO  11          1HB       PRO  11 -14.096  -2.200  -5.941
   76   2HB   PRO  11          2HB       PRO  11 -15.716  -1.990  -6.629
   77   1HG   PRO  11          2HG       PRO  11 -13.085  -1.093  -7.713
   78   2HG   PRO  11          1HG       PRO  11 -14.580  -1.488  -8.579
   79   1HD   PRO  11          1HD       PRO  11 -13.637   1.118  -8.011
   80   2HD   PRO  11          2HD       PRO  11 -15.275   0.698  -8.557
   81    H    VAL  12           H        VAL  12 -15.058   0.331  -3.043
   82    HA   VAL  12           HA       VAL  12 -12.123   0.666  -2.816
   83    HB   VAL  12           HB       VAL  12 -13.738   2.380  -1.897
   84   1HG1  VAL  12          1HG1      VAL  12 -14.906   0.068  -0.819
   85   2HG1  VAL  12          2HG1      VAL  12 -14.208   0.919   0.559
   86   3HG1  VAL  12          3HG1      VAL  12 -15.369   1.737  -0.486
   87   1HG2  VAL  12          1HG2      VAL  12 -11.315   1.467  -0.912
   88   2HG2  VAL  12          2HG2      VAL  12 -12.128   2.945  -0.397
   89   3HG2  VAL  12          3HG2      VAL  12 -12.346   1.454   0.519
   90    H    GLU  13           H        GLU  13 -12.480  -1.930  -3.202
   91    HA   GLU  13           HA       GLU  13 -12.387  -3.127  -0.461
   92   1HB   GLU  13          2HB       GLU  13 -13.286  -4.496  -3.013
   93   2HB   GLU  13          1HB       GLU  13 -13.294  -5.189  -1.391
   94   1HG   GLU  13          1HG       GLU  13 -14.967  -3.620  -0.648
   95   2HG   GLU  13          2HG       GLU  13 -14.842  -2.697  -2.147
   96    H    CYS  14           H        CYS  14 -10.595  -4.364  -0.012
   97    HA   CYS  14           HA       CYS  14  -8.191  -4.109  -1.375
   98   1HB   CYS  14          1HB       CYS  14  -8.430  -5.090   0.892
   99   2HB   CYS  14          2HB       CYS  14  -9.110  -6.549   0.174
  100    HA   PRO  15           HA       PRO  15  -9.242  -6.559  -4.992
  101   1HB   PRO  15          1HB       PRO  15  -7.081  -5.718  -6.464
  102   2HB   PRO  15          2HB       PRO  15  -8.568  -4.772  -6.280
  103   1HG   PRO  15          2HG       PRO  15  -5.902  -4.340  -5.018
  104   2HG   PRO  15          1HG       PRO  15  -7.179  -3.165  -5.373
  105   1HD   PRO  15          1HD       PRO  15  -6.616  -4.300  -2.836
  106   2HD   PRO  15          2HD       PRO  15  -8.064  -3.367  -3.270
  107    H    LEU  16           H        LEU  16  -7.084  -7.205  -2.655
  108    HA   LEU  16           HA       LEU  16  -5.602  -9.242  -4.269
  109   1HB   LEU  16          2HB       LEU  16  -4.835  -8.475  -1.466
  110   2HB   LEU  16          1HB       LEU  16  -3.819  -9.102  -2.763
  111    HG   LEU  16           HG       LEU  16  -5.114  -6.360  -2.763
  112   1HD1  LEU  16          1HD1      LEU  16  -2.472  -7.384  -1.817
  113   2HD1  LEU  16          2HD1      LEU  16  -2.487  -5.844  -2.677
  114   3HD1  LEU  16          3HD1      LEU  16  -3.441  -6.042  -1.207
  115   1HD2  LEU  16          1HD2      LEU  16  -3.561  -7.969  -4.718
  116   2HD2  LEU  16          2HD2      LEU  16  -4.745  -6.692  -4.999
  117   3HD2  LEU  16          3HD2      LEU  16  -3.087  -6.277  -4.564
  118    H    CYS  17           H        CYS  17  -7.797  -8.748  -1.591
  119    HA   CYS  17           HA       CYS  17  -7.992 -11.715  -1.334
  120   1HB   CYS  17          2HB       CYS  17  -8.121 -11.580   1.058
  121   2HB   CYS  17          1HB       CYS  17  -6.703 -10.648   0.580
  122    H    MET  18           H        MET  18  -9.523  -8.901  -2.106
  123    HA   MET  18           HA       MET  18 -11.762  -8.561  -2.677
  124   1HB   MET  18          2HB       MET  18 -12.465 -11.063  -1.131
  125   2HB   MET  18          1HB       MET  18 -13.399 -10.273  -2.400
  126   1HG   MET  18          1HG       MET  18 -10.635 -11.108  -3.115
  127   2HG   MET  18          2HG       MET  18 -11.820 -12.396  -2.892
  128   1HE   MET  18          1HE       MET  18 -13.935 -12.419  -3.602
  129   2HE   MET  18          2HE       MET  18 -14.712 -11.553  -4.925
  130   3HE   MET  18          3HE       MET  18 -13.671 -12.943  -5.263
  131    H    GLU  19           H        GLU  19 -10.870  -9.385   0.635
  132    HA   GLU  19           HA       GLU  19 -13.089  -8.488   2.063
  133   1HB   GLU  19          1HB       GLU  19 -10.962  -9.396   3.058
  134   2HB   GLU  19          2HB       GLU  19 -10.211  -7.829   2.759
  135   1HG   GLU  19          1HG       GLU  19 -12.273  -6.881   4.063
  136   2HG   GLU  19          2HG       GLU  19 -12.421  -8.528   4.676
  137    HA   PRO  20           HA       PRO  20 -13.341  -4.267   0.755
  138   1HB   PRO  20          1HB       PRO  20 -15.258  -3.489   2.565
  139   2HB   PRO  20          2HB       PRO  20 -15.611  -4.423   1.101
  140   1HG   PRO  20          2HG       PRO  20 -15.505  -5.346   3.938
  141   2HG   PRO  20          1HG       PRO  20 -16.443  -5.992   2.581
  142   1HD   PRO  20          1HD       PRO  20 -14.062  -7.105   3.605
  143   2HD   PRO  20          2HD       PRO  20 -14.801  -7.499   2.038
  144    H    LEU  21           H        LEU  21 -13.003  -2.074   1.699
  145    HA   LEU  21           HA       LEU  21 -11.049  -2.177   3.910
  146   1HB   LEU  21          1HB       LEU  21 -11.934   0.037   2.038
  147   2HB   LEU  21          2HB       LEU  21 -10.749   0.264   3.326
  148    HG   LEU  21           HG       LEU  21 -10.320  -2.021   1.456
  149   1HD1  LEU  21          1HD1      LEU  21 -10.424   0.824   0.663
  150   2HD1  LEU  21          2HD1      LEU  21  -8.943  -0.017   0.206
  151   3HD1  LEU  21          3HD1      LEU  21 -10.508  -0.626  -0.336
  152   1HD2  LEU  21          1HD2      LEU  21  -8.662  -0.038   3.016
  153   2HD2  LEU  21          2HD2      LEU  21  -8.704  -1.795   3.171
  154   3HD2  LEU  21          3HD2      LEU  21  -7.938  -1.051   1.766
  155    H    GLU  22           H        GLU  22 -11.354   0.268   5.098
  156    HA   GLU  22           HA       GLU  22 -14.135   0.221   6.198
  157   1HB   GLU  22          1HB       GLU  22 -11.727  -0.431   7.558
  158   2HB   GLU  22          2HB       GLU  22 -12.239   1.144   8.161
  159   1HG   GLU  22          1HG       GLU  22 -14.454   0.276   8.685
  160   2HG   GLU  22          2HG       GLU  22 -14.045  -1.282   7.967
  161    H    ILE  23           H        ILE  23 -13.539   2.443   7.998
  162    HA   ILE  23           HA       ILE  23 -13.681   4.607   5.998
  163    HB   ILE  23           HB       ILE  23 -14.179   4.448   8.976
  164   1HG1  ILE  23          2HG1      ILE  23 -16.410   5.435   8.049
  165   2HG1  ILE  23          1HG1      ILE  23 -15.817   4.879   6.485
  166   1HG2  ILE  23          1HG2      ILE  23 -14.048   6.902   7.202
  167   2HG2  ILE  23          2HG2      ILE  23 -14.832   6.880   8.781
  168   3HG2  ILE  23          3HG2      ILE  23 -13.097   6.585   8.653
  169   1HD1  ILE  23          1HD1      ILE  23 -15.579   2.899   8.662
  170   2HD1  ILE  23          2HD1      ILE  23 -17.235   3.320   8.229
  171   3HD1  ILE  23          3HD1      ILE  23 -16.137   2.688   7.002
  172    H    ASP  24           H        ASP  24 -11.782   3.943   8.973
  173    HA   ASP  24           HA       ASP  24  -9.883   6.067   8.271
  174   1HB   ASP  24          1HB       ASP  24  -8.690   5.276  10.335
  175   2HB   ASP  24          2HB       ASP  24 -10.372   5.726  10.619
  176    H    ASP  25           H        ASP  25 -10.291   3.019   7.091
  177    HA   ASP  25           HA       ASP  25  -7.377   2.421   6.952
  178   1HB   ASP  25          1HB       ASP  25  -9.827   0.797   6.211
  179   2HB   ASP  25          2HB       ASP  25  -8.173   0.264   5.910
  180    H    ILE  26           H        ILE  26 -10.034   3.590   5.047
  181    HA   ILE  26           HA       ILE  26  -9.249   2.976   2.431
  182    HB   ILE  26           HB       ILE  26 -10.591   5.375   3.664
  183   1HG1  ILE  26          1HG1      ILE  26 -11.485   3.322   1.616
  184   2HG1  ILE  26          2HG1      ILE  26 -11.784   3.199   3.347
  185   1HG2  ILE  26          1HG2      ILE  26  -9.436   5.146   0.925
  186   2HG2  ILE  26          2HG2      ILE  26 -11.066   5.811   1.053
  187   3HG2  ILE  26          3HG2      ILE  26  -9.730   6.583   1.908
  188   1HD1  ILE  26          1HD1      ILE  26 -12.571   5.808   2.366
  189   2HD1  ILE  26          2HD1      ILE  26 -13.378   4.533   1.454
  190   3HD1  ILE  26          3HD1      ILE  26 -13.542   4.601   3.209
  191    H    ASN  27           H        ASN  27  -7.697   5.089   4.729
  192    HA   ASN  27           HA       ASN  27  -5.937   6.204   2.599
  193   1HB   ASN  27          1HB       ASN  27  -5.656   6.901   5.504
  194   2HB   ASN  27          2HB       ASN  27  -5.390   7.911   4.083
  195   2HD2  ASN  27          2HD2      ASN  27  -7.840   6.724   6.326
  196   1HD2  ASN  27          1HD2      ASN  27  -9.107   7.689   5.740
  197    H    PHE  28           H        PHE  28  -5.693   3.422   3.184
  198    HA   PHE  28           HA       PHE  28  -2.946   3.410   4.356
  199   1HB   PHE  28          1HB       PHE  28  -4.429   2.447   6.030
  200   2HB   PHE  28          2HB       PHE  28  -5.145   1.376   4.824
  201    HD1  PHE  28           HD1      PHE  28  -2.069   2.134   6.741
  202    HD2  PHE  28           HD2      PHE  28  -4.012  -0.606   4.067
  203    HE1  PHE  28           HE1      PHE  28  -0.281   0.466   7.153
  204    HE2  PHE  28           HE2      PHE  28  -2.226  -2.276   4.476
  205    HZ   PHE  28           HZ       PHE  28  -0.359  -1.740   6.020
  206    H    PHE  29           H        PHE  29  -1.799   3.154   2.470
  207    HA   PHE  29           HA       PHE  29  -2.465   0.746   0.827
  208   1HB   PHE  29          1HB       PHE  29  -1.342   2.250  -1.059
  209   2HB   PHE  29          2HB       PHE  29  -3.061   2.403  -0.693
  210    HD1  PHE  29           HD1      PHE  29   0.292   3.810   0.207
  211    HD2  PHE  29           HD2      PHE  29  -3.957   4.439   0.027
  212    HE1  PHE  29           HE1      PHE  29   0.610   6.185   0.857
  213    HE2  PHE  29           HE2      PHE  29  -3.640   6.808   0.681
  214    HZ   PHE  29           HZ       PHE  29  -1.354   7.684   1.093
  215    HA   PRO  30           HA       PRO  30   1.779  -0.157   1.649
  216   1HB   PRO  30          1HB       PRO  30   2.012  -2.264  -0.103
  217   2HB   PRO  30          2HB       PRO  30   1.206  -2.385   1.471
  218   1HG   PRO  30          2HG       PRO  30  -0.001  -2.277  -1.252
  219   2HG   PRO  30          1HG       PRO  30  -0.647  -2.989   0.236
  220   1HD   PRO  30          1HD       PRO  30  -1.403  -0.495  -0.880
  221   2HD   PRO  30          2HD       PRO  30  -1.801  -1.074   0.753
  222    H    CYS  31           H        CYS  31   0.498   0.842  -1.385
  223    HA   CYS  31           HA       CYS  31   3.264   1.475  -2.326
  224   1HB   CYS  31          1HB       CYS  31   2.162  -0.408  -3.621
  225   2HB   CYS  31          2HB       CYS  31   0.952   0.762  -4.147
  226    H    THR  32           H        THR  32   3.386   3.444  -3.628
  227    HA   THR  32           HA       THR  32   1.479   5.463  -2.699
  228    HB   THR  32           HB       THR  32   3.110   6.725  -4.534
  229    HG1  THR  32           HG1      THR  32   5.184   5.677  -3.601
  230   1HG2  THR  32          1HG2      THR  32   2.993   6.343  -1.613
  231   2HG2  THR  32          2HG2      THR  32   4.558   6.887  -2.220
  232   3HG2  THR  32          3HG2      THR  32   3.106   7.832  -2.550
  233    H    CYS  33           H        CYS  33   2.141   3.742  -5.719
  234    HA   CYS  33           HA       CYS  33   0.866   5.353  -7.590
  235   1HB   CYS  33          2HB       CYS  33   0.403   3.393  -8.878
  236   2HB   CYS  33          1HB       CYS  33   1.882   3.050  -7.985
  237    H    GLY  34           H        GLY  34  -0.648   3.395  -5.058
  238   1HA   GLY  34          2HA       GLY  34  -3.258   4.639  -5.835
  239   2HA   GLY  34          1HA       GLY  34  -2.762   4.433  -4.154
  240    H    TYR  35           H        TYR  35  -1.603   1.688  -4.959
  241    HA   TYR  35           HA       TYR  35  -4.079   0.201  -5.577
  242   1HB   TYR  35          1HB       TYR  35  -1.561  -0.351  -6.285
  243   2HB   TYR  35          2HB       TYR  35  -1.573  -1.203  -4.742
  244    HD1  TYR  35           HD1      TYR  35  -4.266  -0.655  -7.284
  245    HD2  TYR  35           HD2      TYR  35  -1.814  -3.496  -5.193
  246    HE1  TYR  35           HE1      TYR  35  -5.536  -2.515  -8.322
  247    HE2  TYR  35           HE2      TYR  35  -3.085  -5.356  -6.230
  248    HH   TYR  35           HH       TYR  35  -4.662  -5.330  -8.739
  249    H    GLN  36           H        GLN  36  -4.394   1.634  -3.289
  250    HA   GLN  36           HA       GLN  36  -3.681   0.680  -0.803
  251   1HB   GLN  36          1HB       GLN  36  -5.226   2.592  -1.250
  252   2HB   GLN  36          2HB       GLN  36  -6.501   1.433  -1.623
  253   1HG   GLN  36          1HG       GLN  36  -5.830   0.450   0.753
  254   2HG   GLN  36          2HG       GLN  36  -5.255   2.098   1.013
  255   2HE2  GLN  36          2HE2      GLN  36  -7.272   3.375  -0.699
  256   1HE2  GLN  36          1HE2      GLN  36  -8.757   3.249   0.113
  257    H    ILE  37           H        ILE  37  -4.447  -0.940   0.609
  258    HA   ILE  37           HA       ILE  37  -6.343  -2.948  -0.456
  259    HB   ILE  37           HB       ILE  37  -4.772  -4.801   0.148
  260   1HG1  ILE  37          1HG1      ILE  37  -2.483  -2.900   0.066
  261   2HG1  ILE  37          2HG1      ILE  37  -3.417  -2.956   1.561
  262   1HG2  ILE  37          1HG2      ILE  37  -4.101  -2.804  -1.996
  263   2HG2  ILE  37          2HG2      ILE  37  -3.086  -4.229  -1.773
  264   3HG2  ILE  37          3HG2      ILE  37  -4.797  -4.415  -2.159
  265   1HD1  ILE  37          1HD1      ILE  37  -3.021  -5.643   0.704
  266   2HD1  ILE  37          2HD1      ILE  37  -1.459  -4.826   0.622
  267   3HD1  ILE  37          3HD1      ILE  37  -2.361  -4.854   2.138
  268    H    CYS  38           H        CYS  38  -6.015  -4.852   1.540
  269    HA   CYS  38           HA       CYS  38  -7.008  -3.362   3.885
  270   1HB   CYS  38          1HB       CYS  38  -7.941  -5.418   4.613
  271   2HB   CYS  38          2HB       CYS  38  -8.142  -5.446   2.865
  272    H    ARG  39           H        ARG  39  -6.113  -3.823   6.045
  273    HA   ARG  39           HA       ARG  39  -3.223  -3.850   6.034
  274   1HB   ARG  39          1HB       ARG  39  -5.031  -4.261   8.428
  275   2HB   ARG  39          2HB       ARG  39  -3.381  -3.636   8.426
  276   1HG   ARG  39          1HG       ARG  39  -4.247  -1.748   6.938
  277   2HG   ARG  39          2HG       ARG  39  -5.871  -2.302   7.348
  278   1HD   ARG  39          2HD       ARG  39  -3.738  -1.362   9.286
  279   2HD   ARG  39          1HD       ARG  39  -5.246  -0.535   8.896
  280    HE   ARG  39           HE       ARG  39  -5.094  -2.337  10.965
  281   1HH1  ARG  39          1HH1      ARG  39  -7.205  -1.500   8.482
  282   2HH1  ARG  39          2HH1      ARG  39  -8.285  -2.834   8.717
  283   1HH2  ARG  39          1HH2      ARG  39  -6.247  -4.423  11.028
  284   2HH2  ARG  39          2HH2      ARG  39  -7.743  -4.488  10.156
  285    H    PHE  40           H        PHE  40  -5.468  -6.358   5.839
  286    HA   PHE  40           HA       PHE  40  -3.858  -8.311   7.350
  287   1HB   PHE  40          1HB       PHE  40  -6.506  -8.192   6.867
  288   2HB   PHE  40          2HB       PHE  40  -6.020  -9.199   5.503
  289    HD1  PHE  40           HD1      PHE  40  -4.595  -8.978   8.957
  290    HD2  PHE  40           HD2      PHE  40  -6.653 -11.392   6.061
  291    HE1  PHE  40           HE1      PHE  40  -4.414 -10.941  10.464
  292    HE2  PHE  40           HE2      PHE  40  -6.472 -13.355   7.567
  293    HZ   PHE  40           HZ       PHE  40  -5.353 -13.128   9.767
  294    H    CYS  41           H        CYS  41  -4.045  -7.070   4.148
  295    HA   CYS  41           HA       CYS  41  -2.758  -9.446   2.951
  296   1HB   CYS  41          1HB       CYS  41  -3.996  -6.927   1.929
  297   2HB   CYS  41          2HB       CYS  41  -2.750  -7.684   0.935
  298    H    TRP  42           H        TRP  42  -1.928  -6.309   4.211
  299    HA   TRP  42           HA       TRP  42   0.713  -6.298   2.914
  300   1HB   TRP  42          1HB       TRP  42  -0.323  -4.146   3.215
  301   2HB   TRP  42          2HB       TRP  42  -0.607  -4.461   4.928
  302    HD1  TRP  42           HD1      TRP  42   2.212  -3.719   2.442
  303    HE1  TRP  42           HE1      TRP  42   4.263  -2.870   3.755
  304    HE3  TRP  42           HE3      TRP  42   0.556  -4.443   7.216
  305    HZ2  TRP  42           HZ2      TRP  42   5.091  -2.546   6.480
  306    HZ3  TRP  42           HZ3      TRP  42   1.991  -3.858   9.149
  307    HH2  TRP  42           HH2      TRP  42   4.254  -2.912   8.788
  308    H    HIS  43           H        HIS  43  -0.688  -7.479   5.839
  309    HA   HIS  43           HA       HIS  43   1.849  -7.476   7.325
  310   1HB   HIS  43          1HB       HIS  43  -0.973  -8.186   7.874
  311   2HB   HIS  43          2HB       HIS  43   0.226  -9.167   8.717
  312    HD1  HIS  43           HD1      HIS  43   1.820  -7.945  10.388
  313    HD2  HIS  43           HD2      HIS  43  -1.088  -5.477   8.705
  314    HE1  HIS  43           HE1      HIS  43   1.821  -5.807  11.747
  315    H    ARG  44           H        ARG  44   0.098  -9.605   5.197
  316    HA   ARG  44           HA       ARG  44   1.684 -11.962   6.008
  317   1HB   ARG  44          1HB       ARG  44  -0.747 -11.456   4.457
  318   2HB   ARG  44          2HB       ARG  44   0.325 -12.618   3.674
  319   1HG   ARG  44          1HG       ARG  44   0.268 -14.094   5.515
  320   2HG   ARG  44          2HG       ARG  44  -0.334 -12.845   6.608
  321   1HD   ARG  44          2HD       ARG  44  -2.443 -13.480   6.156
  322   2HD   ARG  44          1HD       ARG  44  -2.192 -13.061   4.461
  323    HE   ARG  44           HE       ARG  44  -1.600 -15.772   5.586
  324   1HH1  ARG  44          1HH1      ARG  44  -0.432 -16.203   3.234
  325   2HH1  ARG  44          2HH1      ARG  44  -1.650 -16.315   2.009
  326   1HH2  ARG  44          1HH2      ARG  44  -4.104 -14.799   3.939
  327   2HH2  ARG  44          2HH2      ARG  44  -3.732 -15.521   2.408
  328    H    ILE  45           H        ILE  45   1.433  -9.698   3.298
  329    HA   ILE  45           HA       ILE  45   3.247 -11.042   1.551
  330    HB   ILE  45           HB       ILE  45   1.624  -8.984   1.190
  331   1HG1  ILE  45          1HG1      ILE  45   4.156  -8.725  -0.360
  332   2HG1  ILE  45          2HG1      ILE  45   3.377 -10.307  -0.365
  333   1HG2  ILE  45          1HG2      ILE  45   2.862  -7.486   2.711
  334   2HG2  ILE  45          2HG2      ILE  45   4.304  -7.667   1.710
  335   3HG2  ILE  45          3HG2      ILE  45   2.872  -6.867   1.059
  336   1HD1  ILE  45          1HD1      ILE  45   1.603  -7.958  -0.783
  337   2HD1  ILE  45          2HD1      ILE  45   2.704  -8.357  -2.102
  338   3HD1  ILE  45          3HD1      ILE  45   1.546  -9.557  -1.526
  339    H    ARG  46           H        ARG  46   3.795  -8.569   4.047
  340    HA   ARG  46           HA       ARG  46   6.696  -8.635   3.531
  341   1HB   ARG  46          1HB       ARG  46   4.841  -6.993   5.195
  342   2HB   ARG  46          2HB       ARG  46   6.515  -7.125   5.736
  343   1HG   ARG  46          1HG       ARG  46   7.283  -6.408   3.488
  344   2HG   ARG  46          2HG       ARG  46   5.602  -6.227   2.985
  345   1HD   ARG  46          1HD       ARG  46   6.051  -4.054   3.641
  346   2HD   ARG  46          2HD       ARG  46   5.476  -4.717   5.171
  347    HE   ARG  46           HE       ARG  46   7.742  -4.735   5.977
  348   1HH1  ARG  46          1HH1      ARG  46   7.897  -4.589   2.598
  349   2HH1  ARG  46          2HH1      ARG  46   9.268  -3.531   2.545
  350   1HH2  ARG  46          1HH2      ARG  46   9.310  -2.977   5.967
  351   2HH2  ARG  46          2HH2      ARG  46  10.067  -2.618   4.450
  352    H    THR  47           H        THR  47   5.055 -10.978   4.659
  353    HA   THR  47           HA       THR  47   6.768 -11.412   7.075
  354    HB   THR  47           HB       THR  47   3.939 -12.358   6.533
  355    HG1  THR  47           HG1      THR  47   4.655 -10.184   7.496
  356   1HG2  THR  47          1HG2      THR  47   6.054 -13.338   8.376
  357   2HG2  THR  47          2HG2      THR  47   4.439 -13.153   9.058
  358   3HG2  THR  47          3HG2      THR  47   4.692 -14.204   7.663
  359    H    ASP  48           H        ASP  48   5.130 -12.951   4.314
  360    HA   ASP  48           HA       ASP  48   7.020 -15.247   4.575
  361   1HB   ASP  48          1HB       ASP  48   4.222 -14.964   3.640
  362   2HB   ASP  48          2HB       ASP  48   5.234 -16.043   2.680
  363    H    GLU  49           H        GLU  49   6.545 -12.401   2.864
  364    HA   GLU  49           HA       GLU  49   8.577 -13.158   0.893
  365   1HB   GLU  49          2HB       GLU  49   7.239 -12.641  -1.072
  366   2HB   GLU  49          1HB       GLU  49   6.421 -13.903  -0.151
  367   1HG   GLU  49          1HG       GLU  49   4.914 -12.271   0.843
  368   2HG   GLU  49          2HG       GLU  49   5.785 -10.946   0.070
  369    H    ASN  50           H        ASN  50   7.674 -10.837  -0.811
  370    HA   ASN  50           HA       ASN  50   8.528  -8.677   1.075
  371   1HB   ASN  50          1HB       ASN  50   9.274  -7.531  -1.113
  372   2HB   ASN  50          2HB       ASN  50  10.242  -8.895  -0.553
  373   2HD2  ASN  50          2HD2      ASN  50  10.297 -10.790  -1.866
  374   1HD2  ASN  50          1HD2      ASN  50   9.481 -10.916  -3.348
  375    H    GLY  51           H        GLY  51   7.303  -6.787   1.116
  376   1HA   GLY  51          2HA       GLY  51   5.234  -5.652   0.996
  377   2HA   GLY  51          1HA       GLY  51   4.617  -6.969   0.002
  378    H    LEU  52           H        LEU  52   5.455  -7.017  -2.289
  379    HA   LEU  52           HA       LEU  52   6.309  -4.371  -3.311
  380   1HB   LEU  52          1HB       LEU  52   6.125  -7.142  -4.486
  381   2HB   LEU  52          2HB       LEU  52   6.228  -5.736  -5.545
  382    HG   LEU  52           HG       LEU  52   8.222  -6.586  -3.431
  383   1HD1  LEU  52          1HD1      LEU  52   8.200  -6.422  -6.446
  384   2HD1  LEU  52          2HD1      LEU  52   9.715  -6.425  -5.543
  385   3HD1  LEU  52          3HD1      LEU  52   8.616  -7.800  -5.426
  386   1HD2  LEU  52          1HD2      LEU  52   7.666  -3.960  -4.657
  387   2HD2  LEU  52          2HD2      LEU  52   8.582  -4.348  -3.201
  388   3HD2  LEU  52          3HD2      LEU  52   9.349  -4.474  -4.785
  389    H    CYS  53           H        CYS  53   5.089  -3.674  -5.372
  390    HA   CYS  53           HA       CYS  53   2.212  -3.728  -4.730
  391   1HB   CYS  53          1HB       CYS  53   3.401  -1.585  -5.272
  392   2HB   CYS  53          2HB       CYS  53   3.636  -2.191  -6.913
  393    HA   PRO  54           HA       PRO  54   1.821  -6.839  -7.945
  394   1HB   PRO  54          1HB       PRO  54  -0.765  -7.503  -7.288
  395   2HB   PRO  54          2HB       PRO  54   0.653  -8.138  -6.433
  396   1HG   PRO  54          2HG       PRO  54  -1.300  -6.067  -5.548
  397   2HG   PRO  54          1HG       PRO  54  -0.295  -7.150  -4.571
  398   1HD   PRO  54          1HD       PRO  54   0.220  -4.410  -5.086
  399   2HD   PRO  54          2HD       PRO  54   1.360  -5.576  -4.380
  400    H    ALA  55           H        ALA  55   0.630  -3.781  -7.707
  401    HA   ALA  55           HA       ALA  55  -1.182  -4.085 -10.063
  402   1HB   ALA  55          1HB       ALA  55  -1.198  -2.325  -7.679
  403   2HB   ALA  55          3HB       ALA  55  -1.620  -1.542  -9.202
  404   3HB   ALA  55          2HB       ALA  55  -2.547  -2.933  -8.639
  405    H    CYS  56           H        CYS  56   1.684  -2.455  -8.827
  406    HA   CYS  56           HA       CYS  56   2.242  -1.544 -11.596
  407   1HB   CYS  56          1HB       CYS  56   2.546   0.692 -11.054
  408   2HB   CYS  56          2HB       CYS  56   1.222   0.284  -9.969
  409    H    ARG  57           H        ARG  57   3.225  -3.594  -9.520
  410    HA   ARG  57           HA       ARG  57   5.287  -4.377  -8.667
  411   1HB   ARG  57          1HB       ARG  57   5.664  -3.558 -11.511
  412   2HB   ARG  57          2HB       ARG  57   7.106  -3.984 -10.588
  413   1HG   ARG  57          1HG       ARG  57   5.263  -5.967  -9.912
  414   2HG   ARG  57          2HG       ARG  57   5.010  -5.719 -11.640
  415   1HD   ARG  57          1HD       ARG  57   7.681  -5.731 -11.651
  416   2HD   ARG  57          2HD       ARG  57   7.435  -6.700 -10.199
  417    HE   ARG  57           HE       ARG  57   5.734  -7.827 -12.099
  418   1HH1  ARG  57          1HH1      ARG  57   8.332  -8.979 -10.824
  419   2HH1  ARG  57          2HH1      ARG  57   9.180  -9.461 -12.254
  420   1HH2  ARG  57          1HH2      ARG  57   7.145  -7.642 -14.394
  421   2HH2  ARG  57          2HH2      ARG  57   8.508  -8.705 -14.277
  422    H    LYS  58           H        LYS  58   5.551  -2.804  -6.958
  423    HA   LYS  58           HA       LYS  58   7.971  -1.191  -7.280
  424   1HB   LYS  58          1HB       LYS  58   5.343   0.041  -7.449
  425   2HB   LYS  58          2HB       LYS  58   6.246   0.660  -6.066
  426   1HG   LYS  58          1HG       LYS  58   8.012   1.440  -7.405
  427   2HG   LYS  58          2HG       LYS  58   7.569   0.399  -8.758
  428   1HD   LYS  58          1HD       LYS  58   6.111   1.920  -9.585
  429   2HD   LYS  58          2HD       LYS  58   5.423   2.241  -7.993
  430   1HE   LYS  58          1HE       LYS  58   8.157   3.253  -8.271
  431   2HE   LYS  58          2HE       LYS  58   7.037   3.981  -9.423
  432   1HZ   LYS  58          1HZ       LYS  58   5.525   4.168  -7.340
  433   2HZ   LYS  58          2HZ       LYS  58   6.984   4.043  -6.484
  434   3HZ   LYS  58          3HZ       LYS  58   6.756   5.310  -7.594
  435    HA   PRO  59           HA       PRO  59   8.233  -2.441  -3.095
  436   1HB   PRO  59          1HB       PRO  59  10.193  -0.694  -2.265
  437   2HB   PRO  59          2HB       PRO  59  10.508  -2.126  -3.260
  438   1HG   PRO  59          2HG       PRO  59  10.437   0.748  -4.072
  439   2HG   PRO  59          1HG       PRO  59  11.348  -0.595  -4.781
  440   1HD   PRO  59          1HD       PRO  59   8.974   0.502  -5.832
  441   2HD   PRO  59          2HD       PRO  59   9.676  -1.066  -6.284
  442    H    TYR  60           H        TYR  60   6.733  -1.947  -1.559
  443    HA   TYR  60           HA       TYR  60   5.204   0.324  -1.279
  444   1HB   TYR  60          2HB       TYR  60   6.306  -1.317   1.023
  445   2HB   TYR  60          1HB       TYR  60   4.879  -0.289   1.088
  446    HD1  TYR  60           HD1      TYR  60   4.532  -1.315  -2.085
  447    HD2  TYR  60           HD2      TYR  60   4.551  -3.054   1.844
  448    HE1  TYR  60           HE1      TYR  60   3.139  -3.196  -2.909
  449    HE2  TYR  60           HE2      TYR  60   3.159  -4.932   1.019
  450    HH   TYR  60           HH       TYR  60   2.061  -5.785  -0.702
  451    HA   PRO  61           HA       PRO  61   7.762   3.567   0.183
  452   1HB   PRO  61          1HB       PRO  61   5.973   4.956   1.744
  453   2HB   PRO  61          2HB       PRO  61   5.949   4.973  -0.028
  454   1HG   PRO  61          2HG       PRO  61   4.131   3.548   1.861
  455   2HG   PRO  61          1HG       PRO  61   3.810   4.134   0.221
  456   1HD   PRO  61          1HD       PRO  61   4.338   1.460   0.931
  457   2HD   PRO  61          2HD       PRO  61   4.388   2.124  -0.715
  458    H    GLU  62           H        GLU  62   8.772   4.466   2.151
  459    HA   GLU  62           HA       GLU  62   9.212   2.460   4.184
  460   1HB   GLU  62          1HB       GLU  62  10.236   5.155   3.537
  461   2HB   GLU  62          2HB       GLU  62  10.251   4.753   5.255
  462   1HG   GLU  62          2HG       GLU  62  12.323   3.931   4.514
  463   2HG   GLU  62          1HG       GLU  62  11.297   2.496   4.476
  464    H    ASP  63           H        ASP  63   8.342   5.839   4.904
  465    HA   ASP  63           HA       ASP  63   6.766   6.711   6.412
  466   1HB   ASP  63          1HB       ASP  63   5.316   5.036   4.954
  467   2HB   ASP  63          2HB       ASP  63   5.291   4.101   6.449
  468    HA   PRO  64           HA       PRO  64   8.783   4.070   9.683
  469   1HB   PRO  64          1HB       PRO  64  10.716   5.891  10.395
  470   2HB   PRO  64          2HB       PRO  64  10.953   4.643   9.160
  471   1HG   PRO  64          2HG       PRO  64  10.523   7.572   8.808
  472   2HG   PRO  64          1HG       PRO  64  11.359   6.426   7.748
  473   1HD   PRO  64          1HD       PRO  64   8.739   7.433   7.366
  474   2HD   PRO  64          2HD       PRO  64   9.465   6.052   6.513
  475    H    ALA  65           H        ALA  65   8.145   7.574   9.583
  476    HA   ALA  65           HA       ALA  65   6.829   8.867  11.056
  477   1HB   ALA  65          1HB       ALA  65   6.556   6.670  13.048
  478   2HB   ALA  65          3HB       ALA  65   5.787   6.422  11.480
  479   3HB   ALA  65          2HB       ALA  65   5.348   7.816  12.467
  480    H    VAL  66           H        VAL  66   8.264  10.287  11.938
  481    HA   VAL  66           HA       VAL  66  10.635   9.692  13.308
  482    HB   VAL  66           HB       VAL  66  10.126  12.011  14.467
  483   1HG1  VAL  66          1HG1      VAL  66  10.985  11.207  11.795
  484   2HG1  VAL  66          2HG1      VAL  66  10.313  12.837  11.810
  485   3HG1  VAL  66          3HG1      VAL  66  11.665  12.431  12.867
  486   1HG2  VAL  66          1HG2      VAL  66   7.629  11.579  13.581
  487   2HG2  VAL  66          2HG2      VAL  66   8.306  13.203  13.694
  488   3HG2  VAL  66          3HG2      VAL  66   8.283  12.364  12.143
  489    H    TYR  67           H        TYR  67   8.387  11.399  15.370
  490    HA   TYR  67           HA       TYR  67   7.660  10.936  17.550
  491   1HB   TYR  67          1HB       TYR  67   7.773   8.157  16.362
  492   2HB   TYR  67          2HB       TYR  67   7.286   8.434  18.034
  493    HD1  TYR  67           HD1      TYR  67   5.596  10.605  18.210
  494    HD2  TYR  67           HD2      TYR  67   6.013   7.947  14.861
  495    HE1  TYR  67           HE1      TYR  67   3.314  11.206  17.449
  496    HE2  TYR  67           HE2      TYR  67   3.730   8.548  14.101
  497    HH   TYR  67           HH       TYR  67   2.176  11.008  14.719
  498    H    LYS  68           H        LYS  68   9.418  11.642  18.766
  499    HA   LYS  68           HA       LYS  68  11.559   9.616  19.283
  500   1HB   LYS  68          1HB       LYS  68  11.791  12.266  18.388
  501   2HB   LYS  68          2HB       LYS  68  12.240  12.319  20.093
  502   1HG   LYS  68          2HG       LYS  68  14.278  11.777  19.094
  503   2HG   LYS  68          1HG       LYS  68  13.647  10.181  19.502
  504   1HD   LYS  68          1HD       LYS  68  12.517  10.532  17.057
  505   2HD   LYS  68          2HD       LYS  68  14.012  11.444  16.847
  506   1HE   LYS  68          1HE       LYS  68  14.668   9.033  18.215
  507   2HE   LYS  68          2HE       LYS  68  13.654   8.601  16.840
  508   1HZ   LYS  68          1HZ       LYS  68  15.572  10.597  16.159
  509   2HZ   LYS  68          2HZ       LYS  68  16.323   9.200  16.768
  510   3HZ   LYS  68          3HZ       LYS  68  15.282   9.088  15.434
  511    HA   PRO  69           HA       PRO  69   9.406  10.083  23.274
  512   1HB   PRO  69          1HB       PRO  69   9.627   7.421  23.918
  513   2HB   PRO  69          2HB       PRO  69   8.296   8.085  22.956
  514   1HG   PRO  69          2HG       PRO  69  10.630   6.462  22.059
  515   2HG   PRO  69          1HG       PRO  69   9.026   6.621  21.325
  516   1HD   PRO  69          1HD       PRO  69  11.392   7.910  20.449
  517   2HD   PRO  69          2HD       PRO  69   9.737   8.293  19.928
  518    H    LEU  70           H        LEU  70  11.794   7.436  23.270
  519    HA   LEU  70           HA       LEU  70  13.356   8.976  25.304
  520   1HB   LEU  70          1HB       LEU  70  12.478   6.202  25.138
  521   2HB   LEU  70          2HB       LEU  70  14.225   6.319  25.359
  522    HG   LEU  70           HG       LEU  70  13.815   7.913  27.256
  523   1HD1  LEU  70          1HD1      LEU  70  10.947   7.097  26.713
  524   2HD1  LEU  70          2HD1      LEU  70  11.478   7.879  28.202
  525   3HD1  LEU  70          3HD1      LEU  70  11.616   8.728  26.662
  526   1HD2  LEU  70          1HD2      LEU  70  13.801   5.184  27.249
  527   2HD2  LEU  70          2HD2      LEU  70  13.739   6.157  28.718
  528   3HD2  LEU  70          3HD2      LEU  70  12.251   5.516  28.022
  529    H    SER  71           H        SER  71  15.739   8.660  25.191
  530    HA   SER  71           HA       SER  71  16.885   9.304  22.744
  531   1HB   SER  71          1HB       SER  71  17.848   8.690  25.296
  532   2HB   SER  71          2HB       SER  71  18.649   7.531  24.240
  533    HG   SER  71           HG       SER  71  18.855   9.637  22.885
  534    H    GLN  72           H        GLN  72  18.355   7.898  21.353
  535    HA   GLN  72           HA       GLN  72  16.997   5.895  20.006
  536   1HB   GLN  72          1HB       GLN  72  19.882   6.535  20.366
  537   2HB   GLN  72          2HB       GLN  72  19.501   4.944  19.708
  538   1HG   GLN  72          1HG       GLN  72  17.903   6.224  18.111
  539   2HG   GLN  72          2HG       GLN  72  18.826   7.653  18.576
  540   2HE2  GLN  72          2HE2      GLN  72  18.880   4.768  16.625
  541   1HE2  GLN  72          1HE2      GLN  72  20.448   4.970  16.006
  542    H    GLU  73           H        GLU  73  17.024   3.569  20.109
  543    HA   GLU  73           HA       GLU  73  18.308   2.136  22.259
  544   1HB   GLU  73          1HB       GLU  73  15.972   3.486  23.014
  545   2HB   GLU  73          2HB       GLU  73  15.460   1.817  22.763
  546   1HG   GLU  73          1HG       GLU  73  17.390   1.079  24.194
  547   2HG   GLU  73          2HG       GLU  73  17.711   2.777  24.549
  548    H    GLU  74           H        GLU  74  18.837   0.592  20.702
  549    HA   GLU  74           HA       GLU  74  16.521  -0.853  19.473
  550   1HB   GLU  74          2HB       GLU  74  17.904  -1.323  17.537
  551   2HB   GLU  74          1HB       GLU  74  17.938   0.416  17.829
  552   1HG   GLU  74          1HG       GLU  74  20.163   0.391  18.191
  553   2HG   GLU  74          2HG       GLU  74  20.018  -0.941  19.339
  554    H    LEU  75           H        LEU  75  17.975  -1.331  22.046
  555    HA   LEU  75           HA       LEU  75  19.038  -4.057  21.412
  556   1HB   LEU  75          1HB       LEU  75  19.944  -1.946  23.325
  557   2HB   LEU  75          2HB       LEU  75  20.111  -3.630  23.820
  558    HG   LEU  75           HG       LEU  75  21.133  -2.523  21.190
  559   1HD1  LEU  75          1HD1      LEU  75  22.290  -2.611  23.912
  560   2HD1  LEU  75          2HD1      LEU  75  23.338  -3.226  22.634
  561   3HD1  LEU  75          3HD1      LEU  75  22.710  -1.581  22.544
  562   1HD2  LEU  75          1HD2      LEU  75  20.718  -5.174  22.222
  563   2HD2  LEU  75          2HD2      LEU  75  21.383  -4.697  20.660
  564   3HD2  LEU  75          3HD2      LEU  75  22.450  -4.893  22.051
  565    H    GLN  76           H        GLN  76  16.961  -2.112  23.483
  566    HA   GLN  76           HA       GLN  76  15.711  -4.645  24.439
  567   1HB   GLN  76          1HB       GLN  76  16.968  -2.503  26.049
  568   2HB   GLN  76          2HB       GLN  76  15.372  -3.012  26.599
  569   1HG   GLN  76          1HG       GLN  76  16.159  -4.988  27.356
  570   2HG   GLN  76          2HG       GLN  76  17.048  -5.285  25.861
  571   2HE2  GLN  76          2HE2      GLN  76  17.732  -5.255  28.978
  572   1HE2  GLN  76          1HE2      GLN  76  19.229  -4.456  29.002
  573    H    ARG  77           H        ARG  77  13.453  -4.490  24.733
  574    HA   ARG  77           HA       ARG  77  12.112  -2.461  23.179
  575   1HB   ARG  77          2HB       ARG  77  10.676  -4.145  25.213
  576   2HB   ARG  77          1HB       ARG  77  10.154  -3.662  23.599
  577   1HG   ARG  77          1HG       ARG  77  12.251  -5.086  22.840
  578   2HG   ARG  77          2HG       ARG  77  12.019  -5.865  24.405
  579   1HD   ARG  77          1HD       ARG  77   9.465  -5.861  23.548
  580   2HD   ARG  77          2HD       ARG  77  10.286  -5.916  21.987
  581    HE   ARG  77           HE       ARG  77  10.823  -8.154  22.467
  582   1HH1  ARG  77          1HH1      ARG  77   8.844  -7.451  24.912
  583   2HH1  ARG  77          2HH1      ARG  77   9.677  -8.320  26.156
  584   1HH2  ARG  77          1HH2      ARG  77  12.539  -8.816  24.263
  585   2HH2  ARG  77          2HH2      ARG  77  11.768  -9.093  25.789
  586    H    ILE  78           H        ILE  78  10.488  -0.939  24.057
  587    HA   ILE  78           HA       ILE  78   9.980   0.868  25.468
  588    HB   ILE  78           HB       ILE  78  10.576  -1.173  27.633
  589   1HG1  ILE  78          1HG1      ILE  78   7.923  -0.563  26.302
  590   2HG1  ILE  78          2HG1      ILE  78   8.949  -1.918  25.830
  591   1HG2  ILE  78          1HG2      ILE  78   9.934   1.541  27.799
  592   2HG2  ILE  78          2HG2      ILE  78   8.396   0.716  28.054
  593   3HG2  ILE  78          3HG2      ILE  78   9.774   0.352  29.092
  594   1HD1  ILE  78          1HD1      ILE  78   8.914  -2.577  28.323
  595   2HD1  ILE  78          2HD1      ILE  78   7.563  -1.453  28.472
  596   3HD1  ILE  78          3HD1      ILE  78   7.437  -2.848  27.401

  No H/Q in entry =         596
  Start of MODEL   25
    1    H1   MET   1           H1       MET   1 -32.016  17.689   2.205
    2    H2   MET   1           H2       MET   1 -32.478  18.395   3.675
    3    H3   MET   1           H3       MET   1 -31.080  18.938   2.875
    4    HA   MET   1           HA       MET   1 -29.825  17.165   3.512
    5   1HB   MET   1          1HB       MET   1 -31.660  18.168   5.509
    6   2HB   MET   1          2HB       MET   1 -31.261  16.483   5.846
    7   1HG   MET   1          1HG       MET   1 -29.045  16.940   6.228
    8   2HG   MET   1          2HG       MET   1 -29.007  18.257   5.057
    9   1HE   MET   1          1HE       MET   1 -27.583  19.567   6.443
   10   2HE   MET   1          2HE       MET   1 -27.952  20.317   8.003
   11   3HE   MET   1          3HE       MET   1 -27.537  18.607   7.919
   12    H    SER   2           H        SER   2 -29.794  14.835   4.337
   13    HA   SER   2           HA       SER   2 -32.151  13.194   3.979
   14   1HB   SER   2          1HB       SER   2 -31.863  12.344   1.864
   15   2HB   SER   2          2HB       SER   2 -31.133  13.923   1.592
   16    HG   SER   2           HG       SER   2 -29.374  12.866   1.171
   17    H    ARG   3           H        ARG   3 -30.688  10.829   3.156
   18    HA   ARG   3           HA       ARG   3 -28.972  10.492   5.581
   19   1HB   ARG   3          1HB       ARG   3 -31.201   9.018   4.705
   20   2HB   ARG   3          2HB       ARG   3 -29.802   8.005   4.343
   21   1HG   ARG   3          1HG       ARG   3 -29.207   9.003   6.857
   22   2HG   ARG   3          2HG       ARG   3 -30.949   8.732   6.941
   23   1HD   ARG   3          1HD       ARG   3 -30.744   6.460   6.722
   24   2HD   ARG   3          2HD       ARG   3 -29.337   6.585   5.665
   25    HE   ARG   3           HE       ARG   3 -29.086   7.137   8.590
   26   1HH1  ARG   3          1HH1      ARG   3 -26.662   7.349   6.914
   27   2HH1  ARG   3          2HH1      ARG   3 -25.955   5.774   7.056
   28   1HH2  ARG   3          1HH2      ARG   3 -28.854   4.293   8.253
   29   2HH2  ARG   3          2HH2      ARG   3 -27.197   4.042   7.812
   30    H    SER   4           H        SER   4 -26.849  10.529   5.017
   31    HA   SER   4           HA       SER   4 -25.745  10.358   2.472
   32   1HB   SER   4          1HB       SER   4 -24.659   9.615   5.179
   33   2HB   SER   4          2HB       SER   4 -23.678   9.395   3.733
   34    HG   SER   4           HG       SER   4 -23.289  11.448   3.874
   35    HA   PRO   5           HA       PRO   5 -26.391   6.119   1.376
   36   1HB   PRO   5          1HB       PRO   5 -24.838   6.146  -0.891
   37   2HB   PRO   5          2HB       PRO   5 -26.463   6.847  -0.810
   38   1HG   PRO   5          2HG       PRO   5 -23.824   8.232  -0.864
   39   2HG   PRO   5          1HG       PRO   5 -25.409   8.817  -1.394
   40   1HD   PRO   5          1HD       PRO   5 -24.117   9.489   1.037
   41   2HD   PRO   5          2HD       PRO   5 -25.818   9.806   0.631
   42    H    ASP   6           H        ASP   6 -23.124   6.689   0.138
   43    HA   ASP   6           HA       ASP   6 -22.042   4.885   2.256
   44   1HB   ASP   6          1HB       ASP   6 -22.532   3.811  -0.087
   45   2HB   ASP   6          2HB       ASP   6 -21.076   4.674  -0.582
   46    H    ALA   7           H        ALA   7 -20.932   6.554   3.304
   47    HA   ALA   7           HA       ALA   7 -19.321   8.243   3.608
   48   1HB   ALA   7          1HB       ALA   7 -17.974   6.137   3.103
   49   2HB   ALA   7          2HB       ALA   7 -17.829   6.734   1.449
   50   3HB   ALA   7          3HB       ALA   7 -17.147   7.663   2.785
   51    H    LYS   8           H        LYS   8 -17.423   9.034   1.428
   52    HA   LYS   8           HA       LYS   8 -19.226  10.981   0.134
   53   1HB   LYS   8          1HB       LYS   8 -16.220  10.754  -0.154
   54   2HB   LYS   8          2HB       LYS   8 -17.228  12.166  -0.477
   55   1HG   LYS   8          1HG       LYS   8 -17.738  11.306   2.203
   56   2HG   LYS   8          2HG       LYS   8 -15.991  11.419   1.985
   57   1HD   LYS   8          1HD       LYS   8 -17.354  13.659   0.731
   58   2HD   LYS   8          2HD       LYS   8 -17.747  13.550   2.447
   59   1HE   LYS   8          1HE       LYS   8 -14.892  13.152   1.719
   60   2HE   LYS   8          2HE       LYS   8 -15.527  14.788   1.542
   61   1HZ   LYS   8          1HZ       LYS   8 -16.323  13.495   3.985
   62   2HZ   LYS   8          2HZ       LYS   8 -14.642  13.702   3.851
   63   3HZ   LYS   8          3HZ       LYS   8 -15.673  15.044   3.738
   64    H    GLU   9           H        GLU   9 -17.611   8.025  -0.620
   65    HA   GLU   9           HA       GLU   9 -18.614   8.232  -3.402
   66   1HB   GLU   9          1HB       GLU   9 -15.994   8.816  -2.943
   67   2HB   GLU   9          2HB       GLU   9 -15.900   7.071  -3.175
   68   1HG   GLU   9          1HG       GLU   9 -16.833   7.193  -5.348
   69   2HG   GLU   9          2HG       GLU   9 -17.435   8.831  -5.087
   70    H    ASP  10           H        ASP  10 -18.076   5.964  -4.508
   71    HA   ASP  10           HA       ASP  10 -19.539   3.962  -3.204
   72   1HB   ASP  10          2HB       ASP  10 -18.683   2.430  -4.847
   73   2HB   ASP  10          1HB       ASP  10 -18.801   4.002  -5.638
   74    HA   PRO  11           HA       PRO  11 -16.827   2.253  -0.207
   75   1HB   PRO  11          1HB       PRO  11 -17.734  -0.344  -0.193
   76   2HB   PRO  11          2HB       PRO  11 -18.627   1.007   0.527
   77   1HG   PRO  11          2HG       PRO  11 -19.164  -0.457  -2.014
   78   2HG   PRO  11          1HG       PRO  11 -20.291   0.417  -0.964
   79   1HD   PRO  11          1HD       PRO  11 -19.211   1.372  -3.402
   80   2HD   PRO  11          2HD       PRO  11 -20.073   2.342  -2.188
   81    H    VAL  12           H        VAL  12 -14.681   1.726  -0.497
   82    HA   VAL  12           HA       VAL  12 -13.867   0.246  -2.907
   83    HB   VAL  12           HB       VAL  12 -12.043   1.156  -0.678
   84   1HG1  VAL  12          1HG1      VAL  12 -11.731   0.766  -3.670
   85   2HG1  VAL  12          2HG1      VAL  12 -10.476   1.409  -2.610
   86   3HG1  VAL  12          3HG1      VAL  12 -11.042  -0.249  -2.405
   87   1HG2  VAL  12          1HG2      VAL  12 -13.572   2.752  -2.681
   88   2HG2  VAL  12          2HG2      VAL  12 -13.006   3.210  -1.074
   89   3HG2  VAL  12          3HG2      VAL  12 -11.880   3.186  -2.432
   90    H    GLU  13           H        GLU  13 -12.726  -1.751  -2.857
   91    HA   GLU  13           HA       GLU  13 -12.948  -3.251  -0.278
   92   1HB   GLU  13          1HB       GLU  13 -13.688  -4.044  -3.083
   93   2HB   GLU  13          2HB       GLU  13 -13.183  -5.279  -1.929
   94   1HG   GLU  13          1HG       GLU  13 -14.910  -4.365  -0.327
   95   2HG   GLU  13          2HG       GLU  13 -15.496  -3.346  -1.642
   96    H    CYS  14           H        CYS  14 -11.433  -5.246  -0.350
   97    HA   CYS  14           HA       CYS  14  -8.771  -4.285  -1.118
   98   1HB   CYS  14          1HB       CYS  14  -9.177  -5.432   1.063
   99   2HB   CYS  14          2HB       CYS  14  -9.572  -6.907   0.178
  100    HA   PRO  15           HA       PRO  15  -9.152  -6.642  -4.928
  101   1HB   PRO  15          1HB       PRO  15  -6.930  -5.525  -6.095
  102   2HB   PRO  15          2HB       PRO  15  -8.516  -4.736  -6.065
  103   1HG   PRO  15          2HG       PRO  15  -6.077  -4.104  -4.474
  104   2HG   PRO  15          1HG       PRO  15  -7.418  -3.045  -4.939
  105   1HD   PRO  15          1HD       PRO  15  -7.040  -4.240  -2.394
  106   2HD   PRO  15          2HD       PRO  15  -8.513  -3.430  -2.965
  107    H    LEU  16           H        LEU  16  -7.158  -7.021  -2.370
  108    HA   LEU  16           HA       LEU  16  -5.253  -8.850  -3.749
  109   1HB   LEU  16          1HB       LEU  16  -5.229  -7.410  -1.103
  110   2HB   LEU  16          2HB       LEU  16  -4.202  -8.820  -1.359
  111    HG   LEU  16           HG       LEU  16  -3.201  -6.493  -1.878
  112   1HD1  LEU  16          1HD1      LEU  16  -2.348  -8.797  -2.603
  113   2HD1  LEU  16          2HD1      LEU  16  -3.113  -8.473  -4.157
  114   3HD1  LEU  16          3HD1      LEU  16  -1.819  -7.424  -3.576
  115   1HD2  LEU  16          1HD2      LEU  16  -5.329  -5.874  -3.216
  116   2HD2  LEU  16          2HD2      LEU  16  -3.771  -5.450  -3.930
  117   3HD2  LEU  16          3HD2      LEU  16  -4.648  -6.870  -4.502
  118    H    CYS  17           H        CYS  17  -7.647  -8.720  -1.115
  119    HA   CYS  17           HA       CYS  17  -7.693 -11.713  -1.189
  120   1HB   CYS  17          2HB       CYS  17  -8.007 -11.799   1.188
  121   2HB   CYS  17          1HB       CYS  17  -6.625 -10.747   0.901
  122    H    MET  18           H        MET  18  -9.432  -8.751  -1.251
  123    HA   MET  18           HA       MET  18 -11.656  -8.424  -1.945
  124   1HB   MET  18          1HB       MET  18 -11.347 -11.116  -2.483
  125   2HB   MET  18          2HB       MET  18 -12.667 -11.109  -1.312
  126   1HG   MET  18          1HG       MET  18 -14.046 -10.534  -2.998
  127   2HG   MET  18          2HG       MET  18 -13.226  -8.971  -3.042
  128   1HE   MET  18          1HE       MET  18 -13.285  -8.260  -5.217
  129   2HE   MET  18          2HE       MET  18 -11.557  -8.208  -4.880
  130   3HE   MET  18          3HE       MET  18 -12.124  -8.776  -6.448
  131    H    GLU  19           H        GLU  19 -12.363  -7.150  -0.292
  132    HA   GLU  19           HA       GLU  19 -14.047  -8.221   1.762
  133   1HB   GLU  19          1HB       GLU  19 -12.664  -7.798   3.733
  134   2HB   GLU  19          2HB       GLU  19 -11.825  -8.931   2.676
  135   1HG   GLU  19          1HG       GLU  19 -10.239  -7.370   2.029
  136   2HG   GLU  19          2HG       GLU  19 -11.316  -6.004   2.313
  137    HA   PRO  20           HA       PRO  20 -15.174  -3.978   1.821
  138   1HB   PRO  20          1HB       PRO  20 -16.288  -3.775   4.329
  139   2HB   PRO  20          2HB       PRO  20 -17.078  -4.583   2.964
  140   1HG   PRO  20          2HG       PRO  20 -15.748  -5.790   5.345
  141   2HG   PRO  20          1HG       PRO  20 -17.049  -6.443   4.335
  142   1HD   PRO  20          1HD       PRO  20 -14.327  -7.186   4.202
  143   2HD   PRO  20          2HD       PRO  20 -15.565  -7.557   2.984
  144    H    LEU  21           H        LEU  21 -13.562  -2.459   1.913
  145    HA   LEU  21           HA       LEU  21 -11.554  -2.389   3.989
  146   1HB   LEU  21          1HB       LEU  21 -12.338  -0.453   1.799
  147   2HB   LEU  21          2HB       LEU  21 -11.020  -0.126   2.923
  148    HG   LEU  21           HG       LEU  21 -11.141  -2.716   1.381
  149   1HD1  LEU  21          1HD1      LEU  21 -11.251  -0.812  -0.226
  150   2HD1  LEU  21          2HD1      LEU  21  -9.789  -0.146   0.501
  151   3HD1  LEU  21          3HD1      LEU  21  -9.729  -1.697  -0.337
  152   1HD2  LEU  21          1HD2      LEU  21  -9.590  -2.150   3.423
  153   2HD2  LEU  21          2HD2      LEU  21  -8.891  -2.926   2.001
  154   3HD2  LEU  21          3HD2      LEU  21  -8.694  -1.190   2.245
  155    H    GLU  22           H        GLU  22 -11.280   0.188   4.800
  156    HA   GLU  22           HA       GLU  22 -13.873   1.070   5.934
  157   1HB   GLU  22          1HB       GLU  22 -12.451  -0.604   7.452
  158   2HB   GLU  22          2HB       GLU  22 -11.576   0.879   7.836
  159   1HG   GLU  22          2HG       GLU  22 -13.209   1.339   9.321
  160   2HG   GLU  22          1HG       GLU  22 -14.272   1.616   7.940
  161    H    ILE  23           H        ILE  23 -12.325   2.768   7.873
  162    HA   ILE  23           HA       ILE  23 -11.750   4.949   5.983
  163    HB   ILE  23           HB       ILE  23 -11.939   4.751   8.991
  164   1HG1  ILE  23          2HG1      ILE  23 -13.629   6.651   8.411
  165   2HG1  ILE  23          1HG1      ILE  23 -13.489   6.053   6.758
  166   1HG2  ILE  23          1HG2      ILE  23 -10.046   6.261   8.418
  167   2HG2  ILE  23          2HG2      ILE  23 -11.125   7.188   7.374
  168   3HG2  ILE  23          3HG2      ILE  23 -11.406   7.144   9.114
  169   1HD1  ILE  23          1HD1      ILE  23 -13.816   3.823   8.551
  170   2HD1  ILE  23          2HD1      ILE  23 -15.098   5.000   8.838
  171   3HD1  ILE  23          3HD1      ILE  23 -14.859   4.333   7.224
  172    H    ASP  24           H        ASP  24  -9.976   3.254   8.594
  173    HA   ASP  24           HA       ASP  24  -7.453   4.487   7.716
  174   1HB   ASP  24          1HB       ASP  24  -7.900   4.099  10.125
  175   2HB   ASP  24          2HB       ASP  24  -7.966   2.363   9.821
  176    H    ASP  25           H        ASP  25  -9.118   2.369   6.127
  177    HA   ASP  25           HA       ASP  25  -6.801   0.540   5.630
  178   1HB   ASP  25          1HB       ASP  25  -9.729   0.023   5.843
  179   2HB   ASP  25          2HB       ASP  25  -8.839  -0.886   4.621
  180    H    ILE  26           H        ILE  26  -9.378   2.494   4.217
  181    HA   ILE  26           HA       ILE  26  -8.835   1.797   1.475
  182    HB   ILE  26           HB       ILE  26 -10.269   4.055   2.857
  183   1HG1  ILE  26          1HG1      ILE  26 -11.271   2.245   0.667
  184   2HG1  ILE  26          2HG1      ILE  26 -11.168   1.662   2.329
  185   1HG2  ILE  26          1HG2      ILE  26  -9.166   4.053   0.104
  186   2HG2  ILE  26          2HG2      ILE  26 -10.869   4.494   0.236
  187   3HG2  ILE  26          3HG2      ILE  26  -9.650   5.410   1.121
  188   1HD1  ILE  26          1HD1      ILE  26 -12.505   3.686   3.030
  189   2HD1  ILE  26          2HD1      ILE  26 -12.748   4.041   1.320
  190   3HD1  ILE  26          3HD1      ILE  26 -13.388   2.550   2.012
  191    H    ASN  27           H        ASN  27  -8.249   5.027   2.903
  192    HA   ASN  27           HA       ASN  27  -6.262   5.785   1.045
  193   1HB   ASN  27          1HB       ASN  27  -6.549   6.597   3.955
  194   2HB   ASN  27          2HB       ASN  27  -5.539   7.429   2.772
  195   2HD2  ASN  27          2HD2      ASN  27  -6.696   9.379   2.478
  196   1HD2  ASN  27          1HD2      ASN  27  -8.316   9.449   1.977
  197    H    PHE  28           H        PHE  28  -6.106   3.550   3.668
  198    HA   PHE  28           HA       PHE  28  -3.226   3.677   4.046
  199   1HB   PHE  28          1HB       PHE  28  -4.413   2.803   5.897
  200   2HB   PHE  28          2HB       PHE  28  -5.386   1.741   4.881
  201    HD1  PHE  28           HD1      PHE  28  -1.830   2.374   5.889
  202    HD2  PHE  28           HD2      PHE  28  -4.750  -0.498   4.594
  203    HE1  PHE  28           HE1      PHE  28  -0.177   0.551   6.205
  204    HE2  PHE  28           HE2      PHE  28  -3.098  -2.320   4.912
  205    HZ   PHE  28           HZ       PHE  28  -0.812  -1.795   5.717
  206    H    PHE  29           H        PHE  29  -2.238   3.393   2.012
  207    HA   PHE  29           HA       PHE  29  -2.740   0.749   0.704
  208   1HB   PHE  29          1HB       PHE  29  -1.513   2.024  -1.263
  209   2HB   PHE  29          2HB       PHE  29  -3.237   2.274  -0.983
  210    HD1  PHE  29           HD1      PHE  29   0.133   3.636  -0.061
  211    HD2  PHE  29           HD2      PHE  29  -4.070   4.412  -0.540
  212    HE1  PHE  29           HE1      PHE  29   0.526   6.052   0.346
  213    HE2  PHE  29           HE2      PHE  29  -3.676   6.821  -0.129
  214    HZ   PHE  29           HZ       PHE  29  -1.377   7.645   0.312
  215    HA   PRO  30           HA       PRO  30   1.431  -0.199   1.732
  216   1HB   PRO  30          1HB       PRO  30   1.769  -2.281  -0.031
  217   2HB   PRO  30          2HB       PRO  30   0.839  -2.415   1.472
  218   1HG   PRO  30          2HG       PRO  30  -0.150  -2.230  -1.336
  219   2HG   PRO  30          1HG       PRO  30  -0.914  -2.975   0.077
  220   1HD   PRO  30          1HD       PRO  30  -1.574  -0.455  -1.020
  221   2HD   PRO  30          2HD       PRO  30  -2.074  -1.062   0.574
  222    H    CYS  31           H        CYS  31   0.422   1.080  -1.242
  223    HA   CYS  31           HA       CYS  31   3.253   1.621  -1.996
  224   1HB   CYS  31          1HB       CYS  31   2.421  -0.264  -3.383
  225   2HB   CYS  31          2HB       CYS  31   1.093   0.756  -3.940
  226    H    THR  32           H        THR  32   3.480   3.561  -3.328
  227    HA   THR  32           HA       THR  32   1.394   5.553  -2.692
  228    HB   THR  32           HB       THR  32   3.794   6.070  -2.288
  229    HG1  THR  32           HG1      THR  32   2.470   7.803  -2.674
  230   1HG2  THR  32          1HG2      THR  32   4.461   4.737  -4.416
  231   2HG2  THR  32          2HG2      THR  32   4.123   6.239  -5.276
  232   3HG2  THR  32          3HG2      THR  32   5.369   6.197  -4.028
  233    H    CYS  33           H        CYS  33   1.119   3.441  -4.920
  234    HA   CYS  33           HA       CYS  33   0.879   5.312  -7.230
  235   1HB   CYS  33          2HB       CYS  33   0.849   3.397  -8.660
  236   2HB   CYS  33          1HB       CYS  33   2.128   3.108  -7.480
  237    H    GLY  34           H        GLY  34  -0.986   4.258  -4.742
  238   1HA   GLY  34          2HA       GLY  34  -3.460   4.581  -6.377
  239   2HA   GLY  34          1HA       GLY  34  -3.336   4.947  -4.655
  240    H    TYR  35           H        TYR  35  -2.138   2.031  -6.306
  241    HA   TYR  35           HA       TYR  35  -4.300   0.296  -5.753
  242   1HB   TYR  35          1HB       TYR  35  -1.905  -0.053  -6.944
  243   2HB   TYR  35          2HB       TYR  35  -1.542  -0.777  -5.378
  244    HD1  TYR  35           HD1      TYR  35  -4.247  -0.769  -7.975
  245    HD2  TYR  35           HD2      TYR  35  -2.063  -3.042  -5.053
  246    HE1  TYR  35           HE1      TYR  35  -5.467  -2.817  -8.655
  247    HE2  TYR  35           HE2      TYR  35  -3.284  -5.088  -5.734
  248    HH   TYR  35           HH       TYR  35  -5.071  -5.859  -6.899
  249    H    GLN  36           H        GLN  36  -5.235   0.270  -3.732
  250    HA   GLN  36           HA       GLN  36  -3.401   0.141  -1.376
  251   1HB   GLN  36          1HB       GLN  36  -6.196   0.536  -0.688
  252   2HB   GLN  36          2HB       GLN  36  -4.802   1.531  -0.280
  253   1HG   GLN  36          1HG       GLN  36  -4.971   2.768  -2.321
  254   2HG   GLN  36          2HG       GLN  36  -6.134   1.627  -2.996
  255   2HE2  GLN  36          2HE2      GLN  36  -6.278   4.651  -2.171
  256   1HE2  GLN  36          1HE2      GLN  36  -7.716   4.727  -1.271
  257    H    ILE  37           H        ILE  37  -4.110  -1.289   0.408
  258    HA   ILE  37           HA       ILE  37  -5.868  -3.523  -0.469
  259    HB   ILE  37           HB       ILE  37  -4.274  -5.195   0.153
  260   1HG1  ILE  37          1HG1      ILE  37  -2.475  -2.941   1.103
  261   2HG1  ILE  37          2HG1      ILE  37  -3.437  -3.967   2.168
  262   1HG2  ILE  37          1HG2      ILE  37  -3.139  -2.942  -1.494
  263   2HG2  ILE  37          2HG2      ILE  37  -2.192  -4.400  -1.199
  264   3HG2  ILE  37          3HG2      ILE  37  -3.742  -4.510  -2.032
  265   1HD1  ILE  37          1HD1      ILE  37  -2.261  -5.958   1.092
  266   2HD1  ILE  37          2HD1      ILE  37  -1.149  -4.796   0.373
  267   3HD1  ILE  37          3HD1      ILE  37  -1.258  -4.945   2.126
  268    H    CYS  38           H        CYS  38  -5.897  -5.107   1.664
  269    HA   CYS  38           HA       CYS  38  -6.897  -3.334   3.800
  270   1HB   CYS  38          1HB       CYS  38  -8.081  -5.218   4.630
  271   2HB   CYS  38          2HB       CYS  38  -8.181  -5.370   2.878
  272    H    ARG  39           H        ARG  39  -6.260  -3.811   6.079
  273    HA   ARG  39           HA       ARG  39  -3.414  -3.899   6.351
  274   1HB   ARG  39          1HB       ARG  39  -5.676  -3.453   8.059
  275   2HB   ARG  39          2HB       ARG  39  -4.594  -4.607   8.840
  276   1HG   ARG  39          1HG       ARG  39  -3.034  -3.024   9.225
  277   2HG   ARG  39          2HG       ARG  39  -3.130  -2.428   7.568
  278   1HD   ARG  39          1HD       ARG  39  -4.823  -0.905   8.071
  279   2HD   ARG  39          2HD       ARG  39  -5.360  -1.814   9.483
  280    HE   ARG  39           HE       ARG  39  -3.372   0.260   9.504
  281   1HH1  ARG  39          1HH1      ARG  39  -4.866  -2.194  11.269
  282   2HH1  ARG  39          2HH1      ARG  39  -3.658  -2.269  12.509
  283   1HH2  ARG  39          1HH2      ARG  39  -1.483  -0.108  10.891
  284   2HH2  ARG  39          2HH2      ARG  39  -1.744  -1.088  12.295
  285    H    PHE  40           H        PHE  40  -5.751  -6.416   6.105
  286    HA   PHE  40           HA       PHE  40  -4.131  -8.411   7.509
  287   1HB   PHE  40          1HB       PHE  40  -6.699  -8.425   5.968
  288   2HB   PHE  40          2HB       PHE  40  -5.844  -9.950   6.194
  289    HD1  PHE  40           HD1      PHE  40  -5.032 -10.477   8.625
  290    HD2  PHE  40           HD2      PHE  40  -8.099  -7.624   7.672
  291    HE1  PHE  40           HE1      PHE  40  -5.882 -10.617  10.950
  292    HE2  PHE  40           HE2      PHE  40  -8.949  -7.763   9.999
  293    HZ   PHE  40           HZ       PHE  40  -7.840  -9.259  11.637
  294    H    CYS  41           H        CYS  41  -4.304  -7.093   4.322
  295    HA   CYS  41           HA       CYS  41  -2.877  -9.389   3.126
  296   1HB   CYS  41          1HB       CYS  41  -4.120  -6.864   2.067
  297   2HB   CYS  41          2HB       CYS  41  -2.889  -7.687   1.109
  298    H    TRP  42           H        TRP  42  -2.287  -6.214   4.424
  299    HA   TRP  42           HA       TRP  42   0.419  -6.036   3.291
  300   1HB   TRP  42          1HB       TRP  42  -0.837  -3.968   3.646
  301   2HB   TRP  42          2HB       TRP  42  -1.029  -4.349   5.356
  302    HD1  TRP  42           HD1      TRP  42   1.721  -3.531   2.789
  303    HE1  TRP  42           HE1      TRP  42   3.719  -2.496   4.047
  304    HE3  TRP  42           HE3      TRP  42   0.094  -4.047   7.600
  305    HZ2  TRP  42           HZ2      TRP  42   4.521  -1.958   6.742
  306    HZ3  TRP  42           HZ3      TRP  42   1.489  -3.267   9.492
  307    HH2  TRP  42           HH2      TRP  42   3.699  -2.223   9.071
  308    H    HIS  43           H        HIS  43  -1.079  -7.515   5.970
  309    HA   HIS  43           HA       HIS  43   1.299  -7.412   7.702
  310   1HB   HIS  43          1HB       HIS  43  -1.496  -8.084   8.009
  311   2HB   HIS  43          2HB       HIS  43  -0.490  -9.393   8.630
  312    HD1  HIS  43           HD1      HIS  43   1.705  -8.287  10.096
  313    HD2  HIS  43           HD2      HIS  43  -1.901  -6.200   9.974
  314    HE1  HIS  43           HE1      HIS  43   1.735  -6.690  12.062
  315    H    ARG  44           H        ARG  44   0.667  -9.030   4.935
  316    HA   ARG  44           HA       ARG  44   2.324 -11.355   5.805
  317   1HB   ARG  44          1HB       ARG  44  -0.367 -11.522   5.066
  318   2HB   ARG  44          2HB       ARG  44   0.515 -12.013   3.620
  319   1HG   ARG  44          1HG       ARG  44   1.849 -13.247   5.772
  320   2HG   ARG  44          2HG       ARG  44   0.127 -13.468   6.091
  321   1HD   ARG  44          1HD       ARG  44   1.347 -14.027   3.382
  322   2HD   ARG  44          2HD       ARG  44   1.243 -15.259   4.638
  323    HE   ARG  44           HE       ARG  44  -1.159 -15.228   4.422
  324   1HH1  ARG  44          1HH1      ARG  44  -1.789 -12.431   3.920
  325   2HH1  ARG  44          2HH1      ARG  44  -2.145 -12.387   2.225
  326   1HH2  ARG  44          1HH2      ARG  44  -0.630 -15.435   1.560
  327   2HH2  ARG  44          2HH2      ARG  44  -1.489 -14.088   0.889
  328    H    ILE  45           H        ILE  45   1.074  -9.546   2.984
  329    HA   ILE  45           HA       ILE  45   2.827 -10.462   1.015
  330    HB   ILE  45           HB       ILE  45   1.844  -7.630   1.488
  331   1HG1  ILE  45          1HG1      ILE  45   0.834  -9.652  -0.518
  332   2HG1  ILE  45          2HG1      ILE  45   0.202  -9.601   1.128
  333   1HG2  ILE  45          1HG2      ILE  45   3.882  -8.370  -0.210
  334   2HG2  ILE  45          2HG2      ILE  45   2.468  -8.503  -1.255
  335   3HG2  ILE  45          3HG2      ILE  45   2.829  -6.975  -0.451
  336   1HD1  ILE  45          1HD1      ILE  45   0.337  -6.946  -0.080
  337   2HD1  ILE  45          2HD1      ILE  45  -0.681  -8.048  -1.007
  338   3HD1  ILE  45          3HD1      ILE  45  -1.023  -7.753   0.699
  339    H    ARG  46           H        ARG  46   3.494  -8.282   3.696
  340    HA   ARG  46           HA       ARG  46   6.195  -7.678   2.678
  341   1HB   ARG  46          1HB       ARG  46   5.147  -5.858   3.821
  342   2HB   ARG  46          2HB       ARG  46   4.678  -6.888   5.175
  343   1HG   ARG  46          1HG       ARG  46   6.818  -6.930   6.066
  344   2HG   ARG  46          2HG       ARG  46   7.587  -6.662   4.502
  345   1HD   ARG  46          1HD       ARG  46   6.833  -4.330   4.501
  346   2HD   ARG  46          2HD       ARG  46   5.992  -4.585   6.031
  347    HE   ARG  46           HE       ARG  46   8.867  -4.198   5.703
  348   1HH1  ARG  46          1HH1      ARG  46   6.334  -4.173   7.853
  349   2HH1  ARG  46          2HH1      ARG  46   7.228  -4.771   9.211
  350   1HH2  ARG  46          1HH2      ARG  46  10.037  -5.574   7.346
  351   2HH2  ARG  46          2HH2      ARG  46   9.323  -5.562   8.924
  352    H    THR  47           H        THR  47   4.639  -9.799   5.003
  353    HA   THR  47           HA       THR  47   7.244 -10.627   6.132
  354    HB   THR  47           HB       THR  47   4.692 -12.041   6.788
  355    HG1  THR  47           HG1      THR  47   4.381 -10.240   8.327
  356   1HG2  THR  47          1HG2      THR  47   7.022 -10.996   8.422
  357   2HG2  THR  47          2HG2      THR  47   5.688 -11.963   9.048
  358   3HG2  THR  47          3HG2      THR  47   6.809 -12.660   7.879
  359    H    ASP  48           H        ASP  48   4.456 -12.567   5.011
  360    HA   ASP  48           HA       ASP  48   6.024 -14.847   4.352
  361   1HB   ASP  48          1HB       ASP  48   3.256 -13.925   3.830
  362   2HB   ASP  48          2HB       ASP  48   3.885 -15.131   2.706
  363    H    GLU  49           H        GLU  49   5.358 -11.920   2.563
  364    HA   GLU  49           HA       GLU  49   6.833 -13.092   0.239
  365   1HB   GLU  49          1HB       GLU  49   4.350 -11.570   0.391
  366   2HB   GLU  49          2HB       GLU  49   5.524 -10.812  -0.686
  367   1HG   GLU  49          1HG       GLU  49   4.098 -12.465  -1.876
  368   2HG   GLU  49          2HG       GLU  49   5.804 -12.917  -1.908
  369    H    ASN  50           H        ASN  50   7.369 -10.713  -1.101
  370    HA   ASN  50           HA       ASN  50   9.542  -9.654   0.554
  371   1HB   ASN  50          1HB       ASN  50   9.017  -9.906  -2.226
  372   2HB   ASN  50          2HB       ASN  50   9.180  -8.182  -1.891
  373   2HD2  ASN  50          2HD2      ASN  50  11.274  -8.637  -3.252
  374   1HD2  ASN  50          1HD2      ASN  50  12.655  -9.094  -2.376
  375    H    GLY  51           H        GLY  51   6.591  -8.346  -0.980
  376   1HA   GLY  51          2HA       GLY  51   6.760  -6.074   0.959
  377   2HA   GLY  51          1HA       GLY  51   5.238  -6.756   0.382
  378    H    LEU  52           H        LEU  52   6.339  -7.003  -2.389
  379    HA   LEU  52           HA       LEU  52   6.786  -4.188  -3.170
  380   1HB   LEU  52          1HB       LEU  52   6.842  -6.819  -4.650
  381   2HB   LEU  52          2HB       LEU  52   6.864  -5.281  -5.512
  382    HG   LEU  52           HG       LEU  52   8.893  -6.300  -3.509
  383   1HD1  LEU  52          1HD1      LEU  52   8.718  -5.997  -6.439
  384   2HD1  LEU  52          2HD1      LEU  52  10.208  -5.372  -5.731
  385   3HD1  LEU  52          3HD1      LEU  52   9.749  -7.057  -5.477
  386   1HD2  LEU  52          1HD2      LEU  52   8.196  -3.542  -4.366
  387   2HD2  LEU  52          2HD2      LEU  52   8.988  -4.094  -2.891
  388   3HD2  LEU  52          3HD2      LEU  52   9.913  -3.942  -4.384
  389    H    CYS  53           H        CYS  53   5.513  -3.600  -5.300
  390    HA   CYS  53           HA       CYS  53   2.652  -3.793  -4.599
  391   1HB   CYS  53          1HB       CYS  53   3.920  -1.646  -5.328
  392   2HB   CYS  53          2HB       CYS  53   3.768  -2.295  -6.959
  393    HA   PRO  54           HA       PRO  54   2.275  -7.000  -7.704
  394   1HB   PRO  54          1HB       PRO  54  -0.339  -7.597  -7.091
  395   2HB   PRO  54          2HB       PRO  54   1.045  -8.211  -6.169
  396   1HG   PRO  54          2HG       PRO  54  -0.894  -6.065  -5.438
  397   2HG   PRO  54          1HG       PRO  54   0.052  -7.130  -4.384
  398   1HD   PRO  54          1HD       PRO  54   0.653  -4.429  -4.973
  399   2HD   PRO  54          2HD       PRO  54   1.754  -5.602  -4.217
  400    H    ALA  55           H        ALA  55   1.001  -3.924  -7.588
  401    HA   ALA  55           HA       ALA  55  -0.657  -4.335 -10.040
  402   1HB   ALA  55          1HB       ALA  55  -0.993  -2.696  -7.666
  403   2HB   ALA  55          3HB       ALA  55  -1.036  -1.710  -9.129
  404   3HB   ALA  55          2HB       ALA  55  -2.155  -3.060  -8.942
  405    H    CYS  56           H        CYS  56   1.631  -1.956  -8.609
  406    HA   CYS  56           HA       CYS  56   2.378  -1.221 -11.404
  407   1HB   CYS  56          1HB       CYS  56   2.875   0.937 -10.667
  408   2HB   CYS  56          2HB       CYS  56   1.525   0.514  -9.621
  409    H    ARG  57           H        ARG  57   3.468  -2.966  -8.731
  410    HA   ARG  57           HA       ARG  57   5.513  -4.048  -8.340
  411   1HB   ARG  57          1HB       ARG  57   5.651  -3.254 -11.165
  412   2HB   ARG  57          2HB       ARG  57   7.232  -3.376 -10.391
  413   1HG   ARG  57          1HG       ARG  57   5.684  -5.590  -9.500
  414   2HG   ARG  57          2HG       ARG  57   5.509  -5.499 -11.253
  415   1HD   ARG  57          1HD       ARG  57   8.118  -5.121 -11.193
  416   2HD   ARG  57          2HD       ARG  57   7.991  -5.900  -9.615
  417    HE   ARG  57           HE       ARG  57   6.564  -7.551 -11.363
  418   1HH1  ARG  57          1HH1      ARG  57   8.628  -6.633 -13.357
  419   2HH1  ARG  57          2HH1      ARG  57   9.879  -7.810 -13.138
  420   1HH2  ARG  57          1HH2      ARG  57   8.665  -8.924 -10.088
  421   2HH2  ARG  57          2HH2      ARG  57   9.900  -9.107 -11.288
  422    H    LYS  58           H        LYS  58   5.568  -2.324  -6.650
  423    HA   LYS  58           HA       LYS  58   8.067  -0.773  -6.898
  424   1HB   LYS  58          1HB       LYS  58   5.326   0.407  -6.512
  425   2HB   LYS  58          2HB       LYS  58   6.712   1.166  -5.729
  426   1HG   LYS  58          1HG       LYS  58   7.819   1.002  -8.093
  427   2HG   LYS  58          2HG       LYS  58   6.161   0.820  -8.667
  428   1HD   LYS  58          2HD       LYS  58   6.251   3.109  -8.719
  429   2HD   LYS  58          1HD       LYS  58   5.823   2.929  -7.017
  430   1HE   LYS  58          1HE       LYS  58   7.689   4.178  -6.649
  431   2HE   LYS  58          2HE       LYS  58   8.544   2.657  -6.910
  432   1HZ   LYS  58          1HZ       LYS  58   8.412   3.324  -9.375
  433   2HZ   LYS  58          2HZ       LYS  58   8.118   4.887  -8.789
  434   3HZ   LYS  58          3HZ       LYS  58   9.563   4.088  -8.386
  435    HA   PRO  59           HA       PRO  59   8.391  -2.165  -2.767
  436   1HB   PRO  59          1HB       PRO  59  10.152  -0.282  -1.787
  437   2HB   PRO  59          2HB       PRO  59  10.626  -1.615  -2.854
  438   1HG   PRO  59          2HG       PRO  59  10.291   1.281  -3.501
  439   2HG   PRO  59          1HG       PRO  59  11.336   0.073  -4.269
  440   1HD   PRO  59          1HD       PRO  59   8.878   1.006  -5.296
  441   2HD   PRO  59          2HD       PRO  59   9.738  -0.453  -5.833
  442    H    TYR  60           H        TYR  60   6.864  -1.922  -1.199
  443    HA   TYR  60           HA       TYR  60   5.144   0.264  -0.877
  444   1HB   TYR  60          1HB       TYR  60   6.078  -1.719   1.222
  445   2HB   TYR  60          2HB       TYR  60   4.684  -0.656   1.401
  446    HD1  TYR  60           HD1      TYR  60   4.560  -1.170  -1.938
  447    HD2  TYR  60           HD2      TYR  60   4.123  -3.443   1.683
  448    HE1  TYR  60           HE1      TYR  60   3.149  -2.809  -3.137
  449    HE2  TYR  60           HE2      TYR  60   2.710  -5.086   0.477
  450    HH   TYR  60           HH       TYR  60   1.423  -4.477  -2.617
  451    HA   PRO  61           HA       PRO  61   7.445   3.319   1.262
  452   1HB   PRO  61          1HB       PRO  61   5.436   4.490   2.733
  453   2HB   PRO  61          2HB       PRO  61   5.636   4.721   0.988
  454   1HG   PRO  61          2HG       PRO  61   3.629   3.064   2.444
  455   2HG   PRO  61          1HG       PRO  61   3.506   3.834   0.853
  456   1HD   PRO  61          1HD       PRO  61   4.015   1.096   1.324
  457   2HD   PRO  61          2HD       PRO  61   4.238   1.947  -0.219
  458    H    GLU  62           H        GLU  62   6.894   4.329   3.876
  459    HA   GLU  62           HA       GLU  62   7.491   3.883   6.101
  460   1HB   GLU  62          1HB       GLU  62   5.269   2.480   5.646
  461   2HB   GLU  62          2HB       GLU  62   6.369   1.121   5.880
  462   1HG   GLU  62          1HG       GLU  62   7.070   2.049   8.051
  463   2HG   GLU  62          2HG       GLU  62   5.990   3.424   7.819
  464    H    ASP  63           H        ASP  63   9.739   3.738   5.028
  465    HA   ASP  63           HA       ASP  63  11.189   1.560   6.185
  466   1HB   ASP  63          1HB       ASP  63  10.045   1.009   3.617
  467   2HB   ASP  63          2HB       ASP  63  11.794   1.131   3.428
  468    HA   PRO  64           HA       PRO  64  14.484   4.338   5.345
  469   1HB   PRO  64          1HB       PRO  64  16.615   2.605   5.201
  470   2HB   PRO  64          2HB       PRO  64  15.802   3.031   6.717
  471   1HG   PRO  64          2HG       PRO  64  15.634   0.503   5.144
  472   2HG   PRO  64          1HG       PRO  64  15.388   0.763   6.879
  473   1HD   PRO  64          1HD       PRO  64  13.347   0.436   4.944
  474   2HD   PRO  64          2HD       PRO  64  13.127   1.019   6.608
  475    H    ALA  65           H        ALA  65  15.596   1.506   3.478
  476    HA   ALA  65           HA       ALA  65  16.125   1.289   1.201
  477   1HB   ALA  65          1HB       ALA  65  13.744   2.851   1.308
  478   2HB   ALA  65          3HB       ALA  65  14.800   3.580   0.098
  479   3HB   ALA  65          2HB       ALA  65  14.343   1.882  -0.037
  480    H    VAL  66           H        VAL  66  18.046   1.887   0.325
  481    HA   VAL  66           HA       VAL  66  19.810   3.274  -0.394
  482    HB   VAL  66           HB       VAL  66  18.286   5.698   0.535
  483   1HG1  VAL  66          1HG1      VAL  66  20.459   5.013  -1.363
  484   2HG1  VAL  66          2HG1      VAL  66  19.305   6.219  -1.932
  485   3HG1  VAL  66          3HG1      VAL  66  20.199   6.490  -0.437
  486   1HG2  VAL  66          1HG2      VAL  66  17.324   3.687  -1.309
  487   2HG2  VAL  66          2HG2      VAL  66  16.532   5.173  -0.785
  488   3HG2  VAL  66          3HG2      VAL  66  17.625   5.196  -2.169
  489    H    TYR  67           H        TYR  67  18.982   2.533   2.548
  490    HA   TYR  67           HA       TYR  67  21.374   3.708   3.750
  491   1HB   TYR  67          1HB       TYR  67  18.957   5.116   4.033
  492   2HB   TYR  67          2HB       TYR  67  19.160   4.245   5.554
  493    HD1  TYR  67           HD1      TYR  67  20.646   6.743   3.275
  494    HD2  TYR  67           HD2      TYR  67  21.022   4.712   7.042
  495    HE1  TYR  67           HE1      TYR  67  22.375   8.373   3.983
  496    HE2  TYR  67           HE2      TYR  67  22.751   6.343   7.749
  497    HH   TYR  67           HH       TYR  67  23.522   8.536   7.243
  498    H    LYS  68           H        LYS  68  22.164   1.778   4.504
  499    HA   LYS  68           HA       LYS  68  20.366   0.194   6.287
  500   1HB   LYS  68          1HB       LYS  68  22.328  -0.986   4.299
  501   2HB   LYS  68          2HB       LYS  68  21.245  -1.881   5.364
  502   1HG   LYS  68          1HG       LYS  68  19.409  -1.472   4.067
  503   2HG   LYS  68          2HG       LYS  68  19.957   0.146   3.623
  504   1HD   LYS  68          2HD       LYS  68  20.330  -0.858   1.599
  505   2HD   LYS  68          1HD       LYS  68  21.847  -1.325   2.371
  506   1HE   LYS  68          1HE       LYS  68  21.283  -3.488   2.119
  507   2HE   LYS  68          2HE       LYS  68  19.890  -3.226   3.169
  508   1HZ   LYS  68          1HZ       LYS  68  18.725  -2.355   1.143
  509   2HZ   LYS  68          2HZ       LYS  68  20.020  -2.954   0.222
  510   3HZ   LYS  68          3HZ       LYS  68  19.055  -4.018   1.131
  511    HA   PRO  69           HA       PRO  69  23.796   0.292   9.028
  512   1HB   PRO  69          1HB       PRO  69  23.150  -1.897  10.562
  513   2HB   PRO  69          2HB       PRO  69  22.308  -0.342  10.675
  514   1HG   PRO  69          2HG       PRO  69  21.384  -2.889   9.432
  515   2HG   PRO  69          1HG       PRO  69  20.430  -1.559  10.108
  516   1HD   PRO  69          1HD       PRO  69  20.900  -2.043   7.353
  517   2HD   PRO  69          2HD       PRO  69  20.211  -0.563   8.056
  518    H    LEU  70           H        LEU  70  25.851  -0.704   9.280
  519    HA   LEU  70           HA       LEU  70  26.284  -3.118   7.576
  520   1HB   LEU  70          1HB       LEU  70  27.533  -0.756   7.328
  521   2HB   LEU  70          2HB       LEU  70  28.582  -1.486   8.543
  522    HG   LEU  70           HG       LEU  70  28.125  -3.527   6.679
  523   1HD1  LEU  70          1HD1      LEU  70  27.448  -1.233   5.360
  524   2HD1  LEU  70          2HD1      LEU  70  29.176  -1.319   5.017
  525   3HD1  LEU  70          3HD1      LEU  70  28.121  -2.660   4.571
  526   1HD2  LEU  70          1HD2      LEU  70  30.463  -1.608   6.944
  527   2HD2  LEU  70          2HD2      LEU  70  30.220  -3.068   7.902
  528   3HD2  LEU  70          3HD2      LEU  70  30.525  -3.191   6.169
  529    H    SER  71           H        SER  71  26.594  -4.976   8.695
  530    HA   SER  71           HA       SER  71  28.093  -4.849  11.261
  531   1HB   SER  71          1HB       SER  71  26.008  -5.019  12.240
  532   2HB   SER  71          2HB       SER  71  25.297  -5.812  10.836
  533    HG   SER  71           HG       SER  71  25.545  -7.505  12.093
  534    H    GLN  72           H        GLN  72  29.440  -6.617  11.568
  535    HA   GLN  72           HA       GLN  72  29.092  -9.146  10.237
  536   1HB   GLN  72          1HB       GLN  72  30.025  -7.245   8.508
  537   2HB   GLN  72          2HB       GLN  72  31.537  -7.892   9.148
  538   1HG   GLN  72          1HG       GLN  72  29.483  -9.907   8.436
  539   2HG   GLN  72          2HG       GLN  72  30.191  -9.026   7.081
  540   2HE2  GLN  72          2HE2      GLN  72  30.840 -11.688   7.150
  541   1HE2  GLN  72          1HE2      GLN  72  32.431 -11.917   7.695
  542    H    GLU  73           H        GLU  73  30.958 -10.595  10.681
  543    HA   GLU  73           HA       GLU  73  32.796 -11.328  11.965
  544   1HB   GLU  73          1HB       GLU  73  33.649  -8.925  11.533
  545   2HB   GLU  73          2HB       GLU  73  33.030  -8.556  13.141
  546   1HG   GLU  73          1HG       GLU  73  34.505 -10.075  14.189
  547   2HG   GLU  73          2HG       GLU  73  34.850 -10.916  12.678
  548    H    GLU  74           H        GLU  74  31.482  -8.779  14.104
  549    HA   GLU  74           HA       GLU  74  30.478  -8.964  16.214
  550   1HB   GLU  74          1HB       GLU  74  29.458 -11.440  14.813
  551   2HB   GLU  74          2HB       GLU  74  28.977 -11.039  16.462
  552   1HG   GLU  74          1HG       GLU  74  27.431  -9.630  15.637
  553   2HG   GLU  74          2HG       GLU  74  28.727  -8.659  14.936
  554    H    LEU  75           H        LEU  75  31.853  -9.271  17.898
  555    HA   LEU  75           HA       LEU  75  33.155 -11.952  18.166
  556   1HB   LEU  75          1HB       LEU  75  34.319  -9.411  18.109
  557   2HB   LEU  75          2HB       LEU  75  34.295  -9.839  19.820
  558    HG   LEU  75           HG       LEU  75  35.101 -12.057  18.067
  559   1HD1  LEU  75          1HD1      LEU  75  36.104  -9.583  17.319
  560   2HD1  LEU  75          2HD1      LEU  75  37.343 -10.201  18.412
  561   3HD1  LEU  75          3HD1      LEU  75  36.870 -11.137  16.994
  562   1HD2  LEU  75          1HD2      LEU  75  35.825 -10.810  20.674
  563   2HD2  LEU  75          2HD2      LEU  75  35.569 -12.509  20.274
  564   3HD2  LEU  75          3HD2      LEU  75  37.091 -11.722  19.853
  565    H    GLN  76           H        GLN  76  31.404  -9.385  19.852
  566    HA   GLN  76           HA       GLN  76  30.269  -9.403  21.903
  567   1HB   GLN  76          1HB       GLN  76  29.535 -11.667  20.574
  568   2HB   GLN  76          2HB       GLN  76  30.198 -12.357  22.056
  569   1HG   GLN  76          2HG       GLN  76  28.032 -11.968  22.759
  570   2HG   GLN  76          1HG       GLN  76  28.756 -10.415  23.177
  571   2HE2  GLN  76          2HE2      GLN  76  27.410 -11.914  20.170
  572   1HE2  GLN  76          1HE2      GLN  76  26.497 -10.552  19.732
  573    H    ARG  77           H        ARG  77  30.361 -11.128  24.071
  574    HA   ARG  77           HA       ARG  77  31.741 -11.893  25.826
  575   1HB   ARG  77          1HB       ARG  77  33.159 -12.652  23.652
  576   2HB   ARG  77          2HB       ARG  77  34.265 -11.449  24.321
  577   1HG   ARG  77          1HG       ARG  77  33.439 -12.872  26.559
  578   2HG   ARG  77          2HG       ARG  77  33.603 -14.118  25.321
  579   1HD   ARG  77          1HD       ARG  77  35.710 -12.108  26.159
  580   2HD   ARG  77          2HD       ARG  77  35.750 -13.852  26.419
  581    HE   ARG  77           HE       ARG  77  36.138 -12.490  23.807
  582   1HH1  ARG  77          1HH1      ARG  77  37.483 -14.748  25.762
  583   2HH1  ARG  77          2HH1      ARG  77  37.567 -16.024  24.593
  584   1HH2  ARG  77          1HH2      ARG  77  35.575 -14.389  22.274
  585   2HH2  ARG  77          2HH2      ARG  77  36.486 -15.821  22.620
  586    H    ILE  78           H        ILE  78  34.300 -10.910  26.550
  587    HA   ILE  78           HA       ILE  78  34.230  -7.981  26.364
  588    HB   ILE  78           HB       ILE  78  32.612  -8.296  28.144
  589   1HG1  ILE  78          1HG1      ILE  78  35.302  -7.658  29.394
  590   2HG1  ILE  78          2HG1      ILE  78  34.387  -6.526  28.398
  591   1HG2  ILE  78          1HG2      ILE  78  33.283 -10.624  28.714
  592   2HG2  ILE  78          2HG2      ILE  78  34.734  -9.994  29.495
  593   3HG2  ILE  78          3HG2      ILE  78  33.143  -9.605  30.147
  594   1HD1  ILE  78          1HD1      ILE  78  32.492  -7.406  30.208
  595   2HD1  ILE  78          2HD1      ILE  78  33.956  -7.321  31.188
  596   3HD1  ILE  78          3HD1      ILE  78  33.387  -5.891  30.326

  No H/Q in entry =         596
  Start of MODEL   26
    1    H1   MET   1           H1       MET   1 -27.625   8.055  23.260
    2    H2   MET   1           H2       MET   1 -28.573   8.186  24.666
    3    H3   MET   1           H3       MET   1 -26.925   7.788  24.783
    4    HA   MET   1           HA       MET   1 -28.142   5.792  25.108
    5   1HB   MET   1          2HB       MET   1 -29.806   5.029  23.510
    6   2HB   MET   1          1HB       MET   1 -30.231   6.663  24.020
    7   1HG   MET   1          1HG       MET   1 -29.501   7.617  21.991
    8   2HG   MET   1          2HG       MET   1 -28.540   6.200  21.568
    9   1HE   MET   1          1HE       MET   1 -32.012   7.247  22.693
   10   2HE   MET   1          2HE       MET   1 -31.906   8.011  21.109
   11   3HE   MET   1          3HE       MET   1 -33.081   6.729  21.382
   12    H    SER   2           H        SER   2 -25.621   6.659  23.953
   13    HA   SER   2           HA       SER   2 -23.827   5.700  22.784
   14   1HB   SER   2          1HB       SER   2 -25.488   3.256  22.254
   15   2HB   SER   2          2HB       SER   2 -23.771   3.372  22.630
   16    HG   SER   2           HG       SER   2 -25.067   2.623  24.398
   17    H    ARG   3           H        ARG   3 -23.609   4.240  20.516
   18    HA   ARG   3           HA       ARG   3 -24.336   6.001  18.442
   19   1HB   ARG   3          1HB       ARG   3 -23.781   4.187  16.904
   20   2HB   ARG   3          2HB       ARG   3 -22.635   4.185  18.244
   21   1HG   ARG   3          1HG       ARG   3 -24.477   2.541  19.293
   22   2HG   ARG   3          2HG       ARG   3 -24.784   2.228  17.584
   23   1HD   ARG   3          1HD       ARG   3 -22.024   2.124  18.825
   24   2HD   ARG   3          2HD       ARG   3 -23.054   0.707  18.627
   25    HE   ARG   3           HE       ARG   3 -22.403   0.687  16.371
   26   1HH1  ARG   3          1HH1      ARG   3 -23.587   2.826  15.087
   27   2HH1  ARG   3          2HH1      ARG   3 -22.337   3.986  14.789
   28   1HH2  ARG   3          1HH2      ARG   3 -20.156   2.627  17.119
   29   2HH2  ARG   3          2HH2      ARG   3 -20.394   3.874  15.941
   30    H    SER   4           H        SER   4 -26.395   6.574  17.949
   31    HA   SER   4           HA       SER   4 -28.654   4.818  18.471
   32   1HB   SER   4          1HB       SER   4 -29.248   7.017  16.672
   33   2HB   SER   4          2HB       SER   4 -29.831   6.729  18.309
   34    HG   SER   4           HG       SER   4 -27.706   7.515  18.989
   35    HA   PRO   5           HA       PRO   5 -28.762   4.512  13.706
   36   1HB   PRO   5          1HB       PRO   5 -26.683   5.645  12.311
   37   2HB   PRO   5          2HB       PRO   5 -28.170   6.514  12.728
   38   1HG   PRO   5          2HG       PRO   5 -25.451   6.765  13.927
   39   2HG   PRO   5          1HG       PRO   5 -26.758   7.959  13.847
   40   1HD   PRO   5          1HD       PRO   5 -26.061   6.404  16.110
   41   2HD   PRO   5          2HD       PRO   5 -27.543   7.364  15.916
   42    H    ASP   6           H        ASP   6 -27.069   3.539  11.872
   43    HA   ASP   6           HA       ASP   6 -25.077   1.857  13.329
   44   1HB   ASP   6          1HB       ASP   6 -26.939   0.817  11.177
   45   2HB   ASP   6          2HB       ASP   6 -25.816  -0.121  12.160
   46    H    ALA   7           H        ALA   7 -23.433   0.927  11.844
   47    HA   ALA   7           HA       ALA   7 -22.733   2.884   9.751
   48   1HB   ALA   7          1HB       ALA   7 -20.665   1.292   9.612
   49   2HB   ALA   7          3HB       ALA   7 -20.857   2.311  11.039
   50   3HB   ALA   7          2HB       ALA   7 -21.304   0.605  11.105
   51    H    LYS   8           H        LYS   8 -24.848   1.882   8.665
   52    HA   LYS   8           HA       LYS   8 -24.372  -0.651   7.262
   53   1HB   LYS   8          1HB       LYS   8 -26.626   0.992   7.866
   54   2HB   LYS   8          2HB       LYS   8 -26.532   0.835   6.111
   55   1HG   LYS   8          1HG       LYS   8 -26.213  -1.674   6.497
   56   2HG   LYS   8          2HG       LYS   8 -26.701  -1.375   8.165
   57   1HD   LYS   8          1HD       LYS   8 -28.880  -0.955   7.599
   58   2HD   LYS   8          2HD       LYS   8 -28.442  -0.199   6.066
   59   1HE   LYS   8          1HE       LYS   8 -28.039  -3.155   6.464
   60   2HE   LYS   8          2HE       LYS   8 -29.627  -2.526   6.023
   61   1HZ   LYS   8          1HZ       LYS   8 -28.569  -1.394   4.133
   62   2HZ   LYS   8          2HZ       LYS   8 -27.089  -2.126   4.534
   63   3HZ   LYS   8          3HZ       LYS   8 -28.409  -3.080   4.049
   64    H    GLU   9           H        GLU   9 -23.096  -0.716   5.466
   65    HA   GLU   9           HA       GLU   9 -23.454   0.708   3.116
   66   1HB   GLU   9          1HB       GLU   9 -22.313   2.399   5.161
   67   2HB   GLU   9          2HB       GLU   9 -21.167   2.203   3.834
   68   1HG   GLU   9          1HG       GLU   9 -23.373   2.592   2.375
   69   2HG   GLU   9          2HG       GLU   9 -23.875   3.455   3.829
   70    H    ASP  10           H        ASP  10 -21.693   0.402   1.581
   71    HA   ASP  10           HA       ASP  10 -19.537  -1.420   2.565
   72   1HB   ASP  10          1HB       ASP  10 -21.574  -2.440   1.211
   73   2HB   ASP  10          2HB       ASP  10 -20.699  -1.783  -0.174
   74    HA   PRO  11           HA       PRO  11 -17.531   1.969   0.315
   75   1HB   PRO  11          1HB       PRO  11 -15.238   1.864   1.830
   76   2HB   PRO  11          2HB       PRO  11 -16.684   2.777   2.297
   77   1HG   PRO  11          2HG       PRO  11 -15.664   0.194   3.383
   78   2HG   PRO  11          1HG       PRO  11 -16.668   1.424   4.169
   79   1HD   PRO  11          1HD       PRO  11 -17.592  -1.024   3.090
   80   2HD   PRO  11          2HD       PRO  11 -18.605   0.354   3.571
   81    H    VAL  12           H        VAL  12 -14.851   1.877  -0.187
   82    HA   VAL  12           HA       VAL  12 -14.483   0.149  -2.310
   83    HB   VAL  12           HB       VAL  12 -12.327   0.990  -0.347
   84   1HG1  VAL  12          1HG1      VAL  12 -12.269   0.010  -3.211
   85   2HG1  VAL  12          2HG1      VAL  12 -10.915   0.856  -2.461
   86   3HG1  VAL  12          3HG1      VAL  12 -11.453  -0.695  -1.815
   87   1HG2  VAL  12          1HG2      VAL  12 -14.023   2.525  -2.057
   88   2HG2  VAL  12          2HG2      VAL  12 -12.648   3.087  -1.107
   89   3HG2  VAL  12          3HG2      VAL  12 -12.407   2.530  -2.763
   90    H    GLU  13           H        GLU  13 -13.334  -1.883  -2.551
   91    HA   GLU  13           HA       GLU  13 -13.329  -3.560  -0.076
   92   1HB   GLU  13          2HB       GLU  13 -14.128  -4.452  -2.864
   93   2HB   GLU  13          1HB       GLU  13 -14.149  -5.441  -1.403
   94   1HG   GLU  13          1HG       GLU  13 -15.627  -3.207  -0.676
   95   2HG   GLU  13          2HG       GLU  13 -16.111  -3.484  -2.349
   96    H    CYS  14           H        CYS  14 -11.542  -4.937   0.136
   97    HA   CYS  14           HA       CYS  14  -9.126  -4.268  -1.132
   98   1HB   CYS  14          1HB       CYS  14  -9.445  -5.681   0.966
   99   2HB   CYS  14          2HB       CYS  14  -9.756  -7.043  -0.110
  100    HA   PRO  15           HA       PRO  15  -9.890  -6.161  -5.099
  101   1HB   PRO  15          1HB       PRO  15  -7.555  -5.279  -6.245
  102   2HB   PRO  15          2HB       PRO  15  -8.988  -4.257  -6.039
  103   1HG   PRO  15          2HG       PRO  15  -6.424  -4.220  -4.522
  104   2HG   PRO  15          1HG       PRO  15  -7.596  -2.915  -4.779
  105   1HD   PRO  15          1HD       PRO  15  -7.319  -4.476  -2.424
  106   2HD   PRO  15          2HD       PRO  15  -8.655  -3.368  -2.802
  107    H    LEU  16           H        LEU  16  -7.711  -7.116  -2.751
  108    HA   LEU  16           HA       LEU  16  -6.515  -9.185  -4.553
  109   1HB   LEU  16          1HB       LEU  16  -5.251  -8.955  -1.931
  110   2HB   LEU  16          2HB       LEU  16  -4.519  -8.921  -3.533
  111    HG   LEU  16           HG       LEU  16  -5.966  -6.559  -2.304
  112   1HD1  LEU  16          1HD1      LEU  16  -3.283  -7.622  -1.854
  113   2HD1  LEU  16          2HD1      LEU  16  -3.246  -5.974  -2.481
  114   3HD1  LEU  16          3HD1      LEU  16  -4.132  -6.334  -1.000
  115   1HD2  LEU  16          1HD2      LEU  16  -4.367  -7.054  -4.809
  116   2HD2  LEU  16          2HD2      LEU  16  -5.921  -6.239  -4.632
  117   3HD2  LEU  16          3HD2      LEU  16  -4.441  -5.435  -4.111
  118    H    CYS  17           H        CYS  17  -8.438  -8.659  -1.674
  119    HA   CYS  17           HA       CYS  17  -8.777 -11.615  -1.511
  120   1HB   CYS  17          1HB       CYS  17  -8.442 -11.698   0.830
  121   2HB   CYS  17          2HB       CYS  17  -7.126 -10.683   0.243
  122    H    MET  18           H        MET  18 -10.241  -8.761  -2.018
  123    HA   MET  18           HA       MET  18 -12.448  -8.009  -1.843
  124   1HB   MET  18          1HB       MET  18 -12.542 -10.617  -2.644
  125   2HB   MET  18          2HB       MET  18 -13.510 -10.687  -1.171
  126   1HG   MET  18          1HG       MET  18 -15.150  -9.299  -2.012
  127   2HG   MET  18          2HG       MET  18 -14.026  -8.431  -3.057
  128   1HE   MET  18          1HE       MET  18 -16.929  -9.431  -3.701
  129   2HE   MET  18          2HE       MET  18 -15.996  -8.555  -4.910
  130   3HE   MET  18          3HE       MET  18 -16.792 -10.065  -5.346
  131    H    GLU  19           H        GLU  19 -12.762  -6.809  -0.009
  132    HA   GLU  19           HA       GLU  19 -13.980  -8.042   2.314
  133   1HB   GLU  19          1HB       GLU  19 -11.122  -7.878   2.265
  134   2HB   GLU  19          2HB       GLU  19 -11.720  -6.722   3.456
  135   1HG   GLU  19          1HG       GLU  19 -13.308  -8.873   3.996
  136   2HG   GLU  19          2HG       GLU  19 -11.824  -9.679   3.481
  137    HA   PRO  20           HA       PRO  20 -15.286  -3.894   2.911
  138   1HB   PRO  20          1HB       PRO  20 -15.480  -3.742   5.649
  139   2HB   PRO  20          2HB       PRO  20 -16.628  -4.632   4.634
  140   1HG   PRO  20          2HG       PRO  20 -14.470  -5.695   6.398
  141   2HG   PRO  20          1HG       PRO  20 -15.981  -6.464   5.885
  142   1HD   PRO  20          1HD       PRO  20 -13.413  -6.983   4.816
  143   2HD   PRO  20          2HD       PRO  20 -14.961  -7.481   4.099
  144    H    LEU  21           H        LEU  21 -13.815  -2.298   2.442
  145    HA   LEU  21           HA       LEU  21 -11.389  -2.008   4.114
  146   1HB   LEU  21          1HB       LEU  21 -12.274  -0.937   1.446
  147   2HB   LEU  21          2HB       LEU  21 -10.956  -0.154   2.317
  148    HG   LEU  21           HG       LEU  21 -11.019  -3.131   1.777
  149   1HD1  LEU  21          1HD1      LEU  21  -9.809  -0.875   0.156
  150   2HD1  LEU  21          2HD1      LEU  21  -9.326  -2.561  -0.022
  151   3HD1  LEU  21          3HD1      LEU  21 -10.981  -2.075  -0.388
  152   1HD2  LEU  21          1HD2      LEU  21  -8.882  -1.159   2.636
  153   2HD2  LEU  21          2HD2      LEU  21  -9.549  -2.483   3.589
  154   3HD2  LEU  21          3HD2      LEU  21  -8.547  -2.828   2.180
  155    H    GLU  22           H        GLU  22 -11.970  -0.949   6.001
  156    HA   GLU  22           HA       GLU  22 -13.923   1.134   6.180
  157   1HB   GLU  22          1HB       GLU  22 -11.507   0.564   7.926
  158   2HB   GLU  22          2HB       GLU  22 -12.814   1.669   8.352
  159   1HG   GLU  22          1HG       GLU  22 -13.410  -1.182   7.583
  160   2HG   GLU  22          2HG       GLU  22 -12.934  -0.777   9.233
  161    H    ILE  23           H        ILE  23 -12.768   3.356   7.284
  162    HA   ILE  23           HA       ILE  23 -11.659   4.673   4.958
  163    HB   ILE  23           HB       ILE  23 -11.989   5.553   7.837
  164   1HG1  ILE  23          2HG1      ILE  23 -14.100   5.294   6.706
  165   2HG1  ILE  23          1HG1      ILE  23 -13.740   7.020   6.728
  166   1HG2  ILE  23          1HG2      ILE  23 -10.091   6.727   6.754
  167   2HG2  ILE  23          2HG2      ILE  23 -11.153   7.187   5.422
  168   3HG2  ILE  23          3HG2      ILE  23 -11.450   7.814   7.044
  169   1HD1  ILE  23          1HD1      ILE  23 -12.714   6.727   4.425
  170   2HD1  ILE  23          2HD1      ILE  23 -13.390   5.099   4.415
  171   3HD1  ILE  23          3HD1      ILE  23 -14.460   6.497   4.497
  172    H    ASP  24           H        ASP  24 -10.287   3.910   8.174
  173    HA   ASP  24           HA       ASP  24  -7.640   4.784   7.587
  174   1HB   ASP  24          1HB       ASP  24  -8.838   3.938   9.829
  175   2HB   ASP  24          2HB       ASP  24  -8.031   2.433   9.383
  176    H    ASP  25           H        ASP  25  -9.375   2.023   6.488
  177    HA   ASP  25           HA       ASP  25  -6.878   0.554   5.844
  178   1HB   ASP  25          1HB       ASP  25  -9.811  -0.150   5.640
  179   2HB   ASP  25          2HB       ASP  25  -8.541  -1.174   4.971
  180    H    ILE  26           H        ILE  26  -9.229   2.622   4.362
  181    HA   ILE  26           HA       ILE  26  -8.678   1.743   1.631
  182    HB   ILE  26           HB       ILE  26 -10.172   4.072   2.844
  183   1HG1  ILE  26          1HG1      ILE  26 -11.006   1.796   1.017
  184   2HG1  ILE  26          2HG1      ILE  26 -11.223   1.813   2.766
  185   1HG2  ILE  26          1HG2      ILE  26  -9.471   3.580  -0.060
  186   2HG2  ILE  26          2HG2      ILE  26 -10.834   4.584   0.435
  187   3HG2  ILE  26          3HG2      ILE  26  -9.192   5.043   0.885
  188   1HD1  ILE  26          1HD1      ILE  26 -12.271   4.107   1.142
  189   2HD1  ILE  26          2HD1      ILE  26 -13.189   2.600   1.199
  190   3HD1  ILE  26          3HD1      ILE  26 -12.846   3.482   2.688
  191    H    ASN  27           H        ASN  27  -8.194   4.982   3.080
  192    HA   ASN  27           HA       ASN  27  -6.229   5.826   1.228
  193   1HB   ASN  27          2HB       ASN  27  -6.439   6.607   4.153
  194   2HB   ASN  27          1HB       ASN  27  -5.636   7.530   2.883
  195   2HD2  ASN  27          2HD2      ASN  27  -6.921   9.024   1.765
  196   1HD2  ASN  27          1HD2      ASN  27  -8.618   9.067   1.820
  197    H    PHE  28           H        PHE  28  -5.995   3.539   3.796
  198    HA   PHE  28           HA       PHE  28  -3.113   3.800   4.175
  199   1HB   PHE  28          1HB       PHE  28  -4.315   2.902   6.031
  200   2HB   PHE  28          2HB       PHE  28  -5.147   1.724   5.018
  201    HD1  PHE  28           HD1      PHE  28  -1.633   2.762   5.862
  202    HD2  PHE  28           HD2      PHE  28  -4.346  -0.467   5.031
  203    HE1  PHE  28           HE1      PHE  28   0.188   1.127   6.263
  204    HE2  PHE  28           HE2      PHE  28  -2.523  -2.099   5.430
  205    HZ   PHE  28           HZ       PHE  28  -0.256  -1.304   6.046
  206    H    PHE  29           H        PHE  29  -2.169   3.557   2.104
  207    HA   PHE  29           HA       PHE  29  -2.582   0.886   0.823
  208   1HB   PHE  29          1HB       PHE  29  -1.378   2.174  -1.144
  209   2HB   PHE  29          2HB       PHE  29  -3.103   2.411  -0.863
  210    HD1  PHE  29           HD1      PHE  29   0.271   3.832  -0.106
  211    HD2  PHE  29           HD2      PHE  29  -3.969   4.512  -0.270
  212    HE1  PHE  29           HE1      PHE  29   0.638   6.256   0.295
  213    HE2  PHE  29           HE2      PHE  29  -3.606   6.926   0.137
  214    HZ   PHE  29           HZ       PHE  29  -1.298   7.803   0.417
  215    HA   PRO  30           HA       PRO  30   1.604   0.049   1.937
  216   1HB   PRO  30          1HB       PRO  30   1.954  -2.138   0.306
  217   2HB   PRO  30          2HB       PRO  30   1.034  -2.188   1.821
  218   1HG   PRO  30          2HG       PRO  30   0.028  -2.186  -0.988
  219   2HG   PRO  30          1HG       PRO  30  -0.719  -2.858   0.471
  220   1HD   PRO  30          1HD       PRO  30  -1.423  -0.417  -0.768
  221   2HD   PRO  30          2HD       PRO  30  -1.901  -0.931   0.865
  222    H    CYS  31           H        CYS  31   0.521   0.950  -1.182
  223    HA   CYS  31           HA       CYS  31   3.338   1.512  -2.007
  224   1HB   CYS  31          1HB       CYS  31   2.310  -0.406  -3.277
  225   2HB   CYS  31          2HB       CYS  31   1.090   0.716  -3.874
  226    H    THR  32           H        THR  32   3.459   3.351  -3.586
  227    HA   THR  32           HA       THR  32   1.553   5.457  -2.780
  228    HB   THR  32           HB       THR  32   3.818   6.164  -2.685
  229    HG1  THR  32           HG1      THR  32   3.871   7.767  -4.279
  230   1HG2  THR  32          1HG2      THR  32   4.042   4.461  -5.073
  231   2HG2  THR  32          2HG2      THR  32   4.974   5.957  -5.167
  232   3HG2  THR  32          3HG2      THR  32   5.244   4.833  -3.836
  233    H    CYS  33           H        CYS  33   2.040   3.343  -5.469
  234    HA   CYS  33           HA       CYS  33   1.117   4.995  -7.589
  235   1HB   CYS  33          2HB       CYS  33   0.582   2.956  -8.780
  236   2HB   CYS  33          1HB       CYS  33   2.069   2.692  -7.874
  237    H    GLY  34           H        GLY  34  -0.690   3.150  -5.148
  238   1HA   GLY  34          2HA       GLY  34  -3.172   4.469  -6.181
  239   2HA   GLY  34          1HA       GLY  34  -2.815   4.371  -4.456
  240    H    TYR  35           H        TYR  35  -1.667   1.545  -5.125
  241    HA   TYR  35           HA       TYR  35  -4.167   0.093  -5.718
  242   1HB   TYR  35          1HB       TYR  35  -1.714  -0.560  -6.428
  243   2HB   TYR  35          2HB       TYR  35  -1.642  -1.258  -4.808
  244    HD1  TYR  35           HD1      TYR  35  -4.344  -1.003  -7.401
  245    HD2  TYR  35           HD2      TYR  35  -1.985  -3.569  -4.889
  246    HE1  TYR  35           HE1      TYR  35  -5.637  -2.965  -8.191
  247    HE2  TYR  35           HE2      TYR  35  -3.276  -5.529  -5.680
  248    HH   TYR  35           HH       TYR  35  -4.742  -6.255  -7.245
  249    H    GLN  36           H        GLN  36  -4.438   1.624  -3.463
  250    HA   GLN  36           HA       GLN  36  -3.752   0.684  -0.954
  251   1HB   GLN  36          1HB       GLN  36  -6.657   1.262  -1.285
  252   2HB   GLN  36          2HB       GLN  36  -5.512   1.906  -0.111
  253   1HG   GLN  36          1HG       GLN  36  -4.449   3.158  -2.095
  254   2HG   GLN  36          2HG       GLN  36  -5.920   2.753  -2.979
  255   2HE2  GLN  36          2HE2      GLN  36  -7.857   3.035  -0.930
  256   1HE2  GLN  36          1HE2      GLN  36  -7.898   4.657  -0.430
  257    H    ILE  37           H        ILE  37  -4.394  -1.000   0.400
  258    HA   ILE  37           HA       ILE  37  -6.384  -2.942  -0.662
  259    HB   ILE  37           HB       ILE  37  -4.833  -4.813  -0.054
  260   1HG1  ILE  37          1HG1      ILE  37  -2.506  -2.967  -0.151
  261   2HG1  ILE  37          2HG1      ILE  37  -3.447  -2.948   1.340
  262   1HG2  ILE  37          1HG2      ILE  37  -4.374  -2.849  -2.233
  263   2HG2  ILE  37          2HG2      ILE  37  -3.091  -4.029  -1.972
  264   3HG2  ILE  37          3HG2      ILE  37  -4.729  -4.572  -2.331
  265   1HD1  ILE  37          1HD1      ILE  37  -2.739  -5.604   0.167
  266   2HD1  ILE  37          2HD1      ILE  37  -1.468  -4.696   0.986
  267   3HD1  ILE  37          3HD1      ILE  37  -2.935  -5.142   1.858
  268    H    CYS  38           H        CYS  38  -6.170  -4.862   1.313
  269    HA   CYS  38           HA       CYS  38  -7.139  -3.343   3.651
  270   1HB   CYS  38          1HB       CYS  38  -8.212  -5.324   4.335
  271   2HB   CYS  38          2HB       CYS  38  -8.304  -5.409   2.579
  272    H    ARG  39           H        ARG  39  -6.507  -4.959   5.775
  273    HA   ARG  39           HA       ARG  39  -3.597  -4.492   5.996
  274   1HB   ARG  39          1HB       ARG  39  -5.869  -4.772   7.866
  275   2HB   ARG  39          2HB       ARG  39  -4.351  -5.472   8.428
  276   1HG   ARG  39          1HG       ARG  39  -4.555  -2.667   7.306
  277   2HG   ARG  39          2HG       ARG  39  -4.690  -3.026   9.029
  278   1HD   ARG  39          1HD       ARG  39  -2.447  -4.306   8.706
  279   2HD   ARG  39          2HD       ARG  39  -2.309  -3.376   7.214
  280    HE   ARG  39           HE       ARG  39  -1.428  -1.772   8.729
  281   1HH1  ARG  39          1HH1      ARG  39  -3.765  -0.255   9.006
  282   2HH1  ARG  39          2HH1      ARG  39  -4.234  -0.400  10.667
  283   1HH2  ARG  39          1HH2      ARG  39  -2.293  -3.215  11.244
  284   2HH2  ARG  39          2HH2      ARG  39  -3.399  -2.075  11.934
  285    H    PHE  40           H        PHE  40  -5.902  -7.196   6.400
  286    HA   PHE  40           HA       PHE  40  -4.039  -9.204   7.097
  287   1HB   PHE  40          1HB       PHE  40  -6.580  -9.387   5.452
  288   2HB   PHE  40          2HB       PHE  40  -5.692 -10.790   6.047
  289    HD1  PHE  40           HD1      PHE  40  -4.843 -10.075   8.708
  290    HD2  PHE  40           HD2      PHE  40  -8.534  -9.146   6.713
  291    HE1  PHE  40           HE1      PHE  40  -5.978  -9.862  10.903
  292    HE2  PHE  40           HE2      PHE  40  -9.666  -8.931   8.908
  293    HZ   PHE  40           HZ       PHE  40  -8.388  -9.289  11.004
  294    H    CYS  41           H        CYS  41  -4.398  -7.506   4.131
  295    HA   CYS  41           HA       CYS  41  -3.081  -9.612   2.537
  296   1HB   CYS  41          1HB       CYS  41  -4.368  -6.975   1.966
  297   2HB   CYS  41          2HB       CYS  41  -3.130  -7.541   0.846
  298    H    TRP  42           H        TRP  42  -2.370  -6.305   3.693
  299    HA   TRP  42           HA       TRP  42   0.327  -6.308   2.646
  300   1HB   TRP  42          1HB       TRP  42  -0.701  -4.176   3.097
  301   2HB   TRP  42          2HB       TRP  42  -1.041  -4.631   4.766
  302    HD1  TRP  42           HD1      TRP  42   1.923  -3.869   2.437
  303    HE1  TRP  42           HE1      TRP  42   3.915  -3.092   3.877
  304    HE3  TRP  42           HE3      TRP  42  -0.024  -4.596   7.104
  305    HZ2  TRP  42           HZ2      TRP  42   4.593  -2.814   6.642
  306    HZ3  TRP  42           HZ3      TRP  42   1.317  -4.067   9.120
  307    HH2  TRP  42           HH2      TRP  42   3.620  -3.179   8.896
  308    H    HIS  43           H        HIS  43  -1.137  -7.867   5.285
  309    HA   HIS  43           HA       HIS  43   1.223  -7.884   7.018
  310   1HB   HIS  43          1HB       HIS  43  -1.517  -9.061   7.078
  311   2HB   HIS  43          2HB       HIS  43  -0.266  -9.886   8.010
  312    HD1  HIS  43           HD1      HIS  43  -0.282  -9.078  10.357
  313    HD2  HIS  43           HD2      HIS  43  -1.131  -5.994   7.685
  314    HE1  HIS  43           HE1      HIS  43  -0.569  -6.982  11.750
  315    H    ARG  44           H        ARG  44   0.550  -9.363   4.127
  316    HA   ARG  44           HA       ARG  44   2.210 -11.746   4.851
  317   1HB   ARG  44          1HB       ARG  44  -0.255 -11.465   3.273
  318   2HB   ARG  44          2HB       ARG  44   1.010 -12.377   2.447
  319   1HG   ARG  44          2HG       ARG  44  -0.318 -13.928   3.761
  320   2HG   ARG  44          1HG       ARG  44   1.271 -13.775   4.512
  321   1HD   ARG  44          1HD       ARG  44   0.241 -11.967   5.998
  322   2HD   ARG  44          2HD       ARG  44  -1.327 -12.502   5.393
  323    HE   ARG  44           HE       ARG  44  -0.193 -14.849   6.255
  324   1HH1  ARG  44          1HH1      ARG  44   1.509 -13.823   8.247
  325   2HH1  ARG  44          2HH1      ARG  44   0.487 -13.474   9.601
  326   1HH2  ARG  44          1HH2      ARG  44  -2.437 -13.491   7.738
  327   2HH2  ARG  44          2HH2      ARG  44  -1.747 -13.286   9.313
  328    H    ILE  45           H        ILE  45   1.649  -9.140   2.541
  329    HA   ILE  45           HA       ILE  45   3.705  -9.960   0.683
  330    HB   ILE  45           HB       ILE  45   2.430  -7.254   1.186
  331   1HG1  ILE  45          1HG1      ILE  45   1.877  -8.815  -1.269
  332   2HG1  ILE  45          2HG1      ILE  45   1.251  -9.519   0.223
  333   1HG2  ILE  45          1HG2      ILE  45   4.659  -8.081  -0.501
  334   2HG2  ILE  45          2HG2      ILE  45   3.336  -7.404  -1.452
  335   3HG2  ILE  45          3HG2      ILE  45   4.063  -6.458  -0.153
  336   1HD1  ILE  45          1HD1      ILE  45   0.622  -6.843   0.508
  337   2HD1  ILE  45          2HD1      ILE  45   0.375  -7.117  -1.216
  338   3HD1  ILE  45          3HD1      ILE  45  -0.493  -8.097  -0.034
  339    H    ARG  46           H        ARG  46   3.633  -7.722   3.453
  340    HA   ARG  46           HA       ARG  46   6.472  -7.051   3.093
  341   1HB   ARG  46          1HB       ARG  46   4.228  -6.051   4.661
  342   2HB   ARG  46          2HB       ARG  46   5.687  -6.206   5.638
  343   1HG   ARG  46          1HG       ARG  46   5.549  -4.789   2.960
  344   2HG   ARG  46          2HG       ARG  46   5.527  -3.981   4.527
  345   1HD   ARG  46          2HD       ARG  46   7.761  -5.661   3.363
  346   2HD   ARG  46          1HD       ARG  46   7.803  -3.937   3.733
  347    HE   ARG  46           HE       ARG  46   8.248  -6.079   5.624
  348   1HH1  ARG  46          1HH1      ARG  46   7.386  -2.789   5.124
  349   2HH1  ARG  46          2HH1      ARG  46   7.376  -2.394   6.809
  350   1HH2  ARG  46          1HH2      ARG  46   8.014  -5.638   7.851
  351   2HH2  ARG  46          2HH2      ARG  46   7.732  -4.004   8.352
  352    H    THR  47           H        THR  47   5.070  -9.800   4.064
  353    HA   THR  47           HA       THR  47   7.242 -10.351   6.040
  354    HB   THR  47           HB       THR  47   4.381 -11.343   6.240
  355    HG1  THR  47           HG1      THR  47   4.184  -9.414   7.068
  356   1HG2  THR  47          1HG2      THR  47   6.900 -11.847   7.804
  357   2HG2  THR  47          2HG2      THR  47   5.327 -11.958   8.594
  358   3HG2  THR  47          3HG2      THR  47   5.704 -13.007   7.226
  359    H    ASP  48           H        ASP  48   4.626 -12.343   4.657
  360    HA   ASP  48           HA       ASP  48   6.079 -14.674   4.251
  361   1HB   ASP  48          1HB       ASP  48   3.557 -13.836   3.574
  362   2HB   ASP  48          2HB       ASP  48   4.306 -14.017   1.987
  363    H    GLU  49           H        GLU  49   5.874 -11.877   2.055
  364    HA   GLU  49           HA       GLU  49   8.165 -13.052   0.531
  365   1HB   GLU  49          2HB       GLU  49   7.397 -11.729  -1.389
  366   2HB   GLU  49          1HB       GLU  49   6.088 -12.752  -0.799
  367   1HG   GLU  49          1HG       GLU  49   5.473 -10.675   0.671
  368   2HG   GLU  49          2HG       GLU  49   6.430  -9.780  -0.509
  369    H    ASN  50           H        ASN  50   8.457 -10.354  -0.794
  370    HA   ASN  50           HA       ASN  50  10.250  -9.216   1.240
  371   1HB   ASN  50          1HB       ASN  50  10.990  -9.409  -1.112
  372   2HB   ASN  50          2HB       ASN  50   9.673  -8.347  -1.609
  373   2HD2  ASN  50          2HD2      ASN  50  12.117  -7.377  -2.281
  374   1HD2  ASN  50          1HD2      ASN  50  12.616  -6.142  -1.228
  375    H    GLY  51           H        GLY  51   7.394  -8.164  -0.627
  376   1HA   GLY  51          2HA       GLY  51   7.066  -5.955   1.368
  377   2HA   GLY  51          1HA       GLY  51   5.699  -6.863   0.722
  378    H    LEU  52           H        LEU  52   6.479  -6.986  -1.983
  379    HA   LEU  52           HA       LEU  52   6.899  -4.181  -2.833
  380   1HB   LEU  52          1HB       LEU  52   6.792  -6.805  -4.335
  381   2HB   LEU  52          2HB       LEU  52   6.882  -5.244  -5.149
  382    HG   LEU  52           HG       LEU  52   8.907  -6.453  -3.250
  383   1HD1  LEU  52          1HD1      LEU  52   8.924  -7.093  -5.691
  384   2HD1  LEU  52          2HD1      LEU  52   9.186  -5.392  -6.079
  385   3HD1  LEU  52          3HD1      LEU  52  10.395  -6.283  -5.153
  386   1HD2  LEU  52          1HD2      LEU  52   8.352  -3.630  -3.994
  387   2HD2  LEU  52          2HD2      LEU  52   9.158  -4.278  -2.565
  388   3HD2  LEU  52          3HD2      LEU  52  10.042  -4.130  -4.084
  389    H    CYS  53           H        CYS  53   5.489  -3.657  -4.887
  390    HA   CYS  53           HA       CYS  53   2.676  -3.833  -4.010
  391   1HB   CYS  53          1HB       CYS  53   3.623  -1.646  -4.670
  392   2HB   CYS  53          2HB       CYS  53   3.958  -2.282  -6.280
  393    HA   PRO  54           HA       PRO  54   2.132  -7.083  -7.038
  394   1HB   PRO  54          1HB       PRO  54  -0.463  -7.645  -6.333
  395   2HB   PRO  54          2HB       PRO  54   0.946  -8.225  -5.427
  396   1HG   PRO  54          2HG       PRO  54  -0.982  -6.068  -4.715
  397   2HG   PRO  54          1HG       PRO  54   0.027  -7.067  -3.655
  398   1HD   PRO  54          1HD       PRO  54   0.548  -4.383  -4.431
  399   2HD   PRO  54          2HD       PRO  54   1.671  -5.477  -3.595
  400    H    ALA  55           H        ALA  55   1.199  -4.010  -7.316
  401    HA   ALA  55           HA       ALA  55  -0.663  -4.593  -9.586
  402   1HB   ALA  55          1HB       ALA  55  -1.948  -3.455  -7.916
  403   2HB   ALA  55          3HB       ALA  55  -1.564  -2.255  -9.151
  404   3HB   ALA  55          2HB       ALA  55  -0.662  -2.281  -7.635
  405    H    CYS  56           H        CYS  56   1.901  -2.436  -8.373
  406    HA   CYS  56           HA       CYS  56   2.469  -1.750 -11.226
  407   1HB   CYS  56          1HB       CYS  56   3.044   0.449 -10.616
  408   2HB   CYS  56          2HB       CYS  56   1.631   0.114  -9.621
  409    H    ARG  57           H        ARG  57   3.621  -3.255  -8.420
  410    HA   ARG  57           HA       ARG  57   5.655  -4.369  -8.040
  411   1HB   ARG  57          1HB       ARG  57   5.579  -4.065 -10.822
  412   2HB   ARG  57          2HB       ARG  57   7.156  -3.434 -10.342
  413   1HG   ARG  57          2HG       ARG  57   7.847  -5.580 -10.244
  414   2HG   ARG  57          1HG       ARG  57   6.861  -5.725  -8.789
  415   1HD   ARG  57          1HD       ARG  57   4.896  -6.228 -10.361
  416   2HD   ARG  57          2HD       ARG  57   6.106  -6.436 -11.628
  417    HE   ARG  57           HE       ARG  57   7.058  -8.292 -10.271
  418   1HH1  ARG  57          1HH1      ARG  57   4.507  -6.846  -8.587
  419   2HH1  ARG  57          2HH1      ARG  57   3.762  -8.335  -8.109
  420   1HH2  ARG  57          1HH2      ARG  57   5.863 -10.313 -10.030
  421   2HH2  ARG  57          2HH2      ARG  57   4.528 -10.297  -8.927
  422    H    LYS  58           H        LYS  58   5.784  -2.631  -6.381
  423    HA   LYS  58           HA       LYS  58   8.316  -1.169  -6.666
  424   1HB   LYS  58          1HB       LYS  58   5.708   0.147  -6.867
  425   2HB   LYS  58          2HB       LYS  58   6.690   0.798  -5.553
  426   1HG   LYS  58          1HG       LYS  58   8.480   1.349  -7.022
  427   2HG   LYS  58          2HG       LYS  58   7.811   0.367  -8.326
  428   1HD   LYS  58          1HD       LYS  58   6.201   1.936  -8.871
  429   2HD   LYS  58          2HD       LYS  58   6.140   2.594  -7.236
  430   1HE   LYS  58          1HE       LYS  58   8.454   3.523  -7.606
  431   2HE   LYS  58          2HE       LYS  58   8.324   3.020  -9.291
  432   1HZ   LYS  58          1HZ       LYS  58   5.992   4.366  -8.753
  433   2HZ   LYS  58          2HZ       LYS  58   7.198   5.291  -8.000
  434   3HZ   LYS  58          3HZ       LYS  58   7.310   4.941  -9.659
  435    HA   PRO  59           HA       PRO  59   8.442  -2.309  -2.444
  436   1HB   PRO  59          1HB       PRO  59  10.348  -0.519  -1.568
  437   2HB   PRO  59          2HB       PRO  59  10.717  -1.968  -2.521
  438   1HG   PRO  59          2HG       PRO  59  10.640   0.888  -3.396
  439   2HG   PRO  59          1HG       PRO  59  11.604  -0.456  -4.033
  440   1HD   PRO  59          1HD       PRO  59   9.270   0.574  -5.224
  441   2HD   PRO  59          2HD       PRO  59  10.000  -1.004  -5.588
  442    H    TYR  60           H        TYR  60   6.887  -1.821  -0.973
  443    HA   TYR  60           HA       TYR  60   5.283   0.408  -0.796
  444   1HB   TYR  60          2HB       TYR  60   6.353  -1.146   1.580
  445   2HB   TYR  60          1HB       TYR  60   4.884  -0.172   1.562
  446    HD1  TYR  60           HD1      TYR  60   4.428  -1.098  -1.508
  447    HD2  TYR  60           HD2      TYR  60   4.924  -3.101   2.260
  448    HE1  TYR  60           HE1      TYR  60   3.149  -3.040  -2.372
  449    HE2  TYR  60           HE2      TYR  60   3.645  -5.042   1.395
  450    HH   TYR  60           HH       TYR  60   2.010  -5.543  -0.327
  451    HA   PRO  61           HA       PRO  61   7.861   3.687   0.617
  452   1HB   PRO  61          1HB       PRO  61   5.870   5.390   1.439
  453   2HB   PRO  61          2HB       PRO  61   6.262   5.100  -0.264
  454   1HG   PRO  61          2HG       PRO  61   3.927   4.134   1.310
  455   2HG   PRO  61          1HG       PRO  61   4.077   4.378  -0.437
  456   1HD   PRO  61          1HD       PRO  61   4.217   1.892   0.938
  457   2HD   PRO  61          2HD       PRO  61   4.610   2.179  -0.771
  458    H    GLU  62           H        GLU  62   7.561   1.550   2.556
  459    HA   GLU  62           HA       GLU  62   6.992   3.021   5.085
  460   1HB   GLU  62          1HB       GLU  62   7.243   0.068   4.454
  461   2HB   GLU  62          2HB       GLU  62   7.120   0.695   6.099
  462   1HG   GLU  62          1HG       GLU  62   5.050   2.003   4.875
  463   2HG   GLU  62          2HG       GLU  62   5.041   0.464   4.015
  464    H    ASP  63           H        ASP  63   9.028   4.199   4.999
  465    HA   ASP  63           HA       ASP  63  11.300   2.535   5.960
  466   1HB   ASP  63          1HB       ASP  63  11.258   4.376   3.596
  467   2HB   ASP  63          2HB       ASP  63  12.730   4.269   4.562
  468    HA   PRO  64           HA       PRO  64  10.821   6.029   8.790
  469   1HB   PRO  64          1HB       PRO  64  11.941   4.704  10.924
  470   2HB   PRO  64          2HB       PRO  64  10.237   4.554  10.460
  471   1HG   PRO  64          2HG       PRO  64  12.468   2.611  10.069
  472   2HG   PRO  64          1HG       PRO  64  10.730   2.306  10.230
  473   1HD   PRO  64          1HD       PRO  64  12.189   2.308   7.808
  474   2HD   PRO  64          2HD       PRO  64  10.418   2.355   7.957
  475    H    ALA  65           H        ALA  65  13.411   4.774   7.198
  476    HA   ALA  65           HA       ALA  65  15.579   5.624   6.867
  477   1HB   ALA  65          1HB       ALA  65  15.703   7.630   8.931
  478   2HB   ALA  65          3HB       ALA  65  14.161   7.757   8.086
  479   3HB   ALA  65          2HB       ALA  65  15.672   7.852   7.182
  480    H    VAL  66           H        VAL  66  15.378   3.390   8.391
  481    HA   VAL  66           HA       VAL  66  17.514   3.829  10.410
  482    HB   VAL  66           HB       VAL  66  15.121   2.070  10.986
  483   1HG1  VAL  66          1HG1      VAL  66  17.686   2.540  12.208
  484   2HG1  VAL  66          2HG1      VAL  66  16.412   3.078  13.303
  485   3HG1  VAL  66          3HG1      VAL  66  16.419   1.418  12.706
  486   1HG2  VAL  66          1HG2      VAL  66  15.612   4.990  11.579
  487   2HG2  VAL  66          2HG2      VAL  66  14.158   4.229  10.934
  488   3HG2  VAL  66          3HG2      VAL  66  14.589   4.009  12.630
  489    H    TYR  67           H        TYR  67  15.473   1.220   9.026
  490    HA   TYR  67           HA       TYR  67  17.997  -0.332   8.611
  491   1HB   TYR  67          1HB       TYR  67  15.323  -1.073   9.609
  492   2HB   TYR  67          2HB       TYR  67  15.972  -2.175   8.395
  493    HD1  TYR  67           HD1      TYR  67  17.023  -0.339  11.496
  494    HD2  TYR  67           HD2      TYR  67  17.452  -3.854   9.063
  495    HE1  TYR  67           HE1      TYR  67  18.524  -1.336  13.201
  496    HE2  TYR  67           HE2      TYR  67  18.952  -4.850  10.767
  497    HH   TYR  67           HH       TYR  67  19.720  -4.658  12.876
  498    H    LYS  68           H        LYS  68  18.577  -0.388   6.497
  499    HA   LYS  68           HA       LYS  68  17.110  -1.387   4.375
  500   1HB   LYS  68          1HB       LYS  68  16.088   1.185   5.125
  501   2HB   LYS  68          2HB       LYS  68  16.843   1.322   3.538
  502   1HG   LYS  68          1HG       LYS  68  15.240  -1.118   3.860
  503   2HG   LYS  68          2HG       LYS  68  14.295   0.364   3.994
  504   1HD   LYS  68          2HD       LYS  68  14.267   0.299   1.720
  505   2HD   LYS  68          1HD       LYS  68  15.906   0.939   1.850
  506   1HE   LYS  68          1HE       LYS  68  15.914  -1.935   2.205
  507   2HE   LYS  68          2HE       LYS  68  15.135  -1.505   0.684
  508   1HZ   LYS  68          1HZ       LYS  68  17.767  -0.457   1.565
  509   2HZ   LYS  68          2HZ       LYS  68  17.570  -1.769   0.510
  510   3HZ   LYS  68          3HZ       LYS  68  17.031  -0.224   0.052
  511    HA   PRO  69           HA       PRO  69  20.640   1.316   2.626
  512   1HB   PRO  69          1HB       PRO  69  21.793   3.152   4.315
  513   2HB   PRO  69          2HB       PRO  69  20.410   3.518   3.271
  514   1HG   PRO  69          2HG       PRO  69  20.473   3.084   6.220
  515   2HG   PRO  69          1HG       PRO  69  19.325   4.020   5.248
  516   1HD   PRO  69          1HD       PRO  69  18.886   1.432   6.308
  517   2HD   PRO  69          2HD       PRO  69  17.886   2.244   5.085
  518    H    LEU  70           H        LEU  70  21.625   1.493   6.066
  519    HA   LEU  70           HA       LEU  70  23.362   0.405   7.208
  520   1HB   LEU  70          1HB       LEU  70  22.118  -1.583   5.495
  521   2HB   LEU  70          2HB       LEU  70  23.839  -1.912   5.693
  522    HG   LEU  70           HG       LEU  70  22.640  -3.011   7.494
  523   1HD1  LEU  70          1HD1      LEU  70  24.582  -0.925   7.897
  524   2HD1  LEU  70          2HD1      LEU  70  23.500  -0.987   9.288
  525   3HD1  LEU  70          3HD1      LEU  70  24.384  -2.430   8.793
  526   1HD2  LEU  70          1HD2      LEU  70  20.725  -1.203   7.248
  527   2HD2  LEU  70          2HD2      LEU  70  20.997  -1.999   8.797
  528   3HD2  LEU  70          3HD2      LEU  70  21.629  -0.377   8.516
  529    H    SER  71           H        SER  71  23.851   2.136   4.771
  530    HA   SER  71           HA       SER  71  25.660   2.762   3.406
  531   1HB   SER  71          1HB       SER  71  27.896   1.768   4.681
  532   2HB   SER  71          2HB       SER  71  27.106   3.293   5.069
  533    HG   SER  71           HG       SER  71  26.347   2.437   6.841
  534    H    GLN  72           H        GLN  72  27.434  -0.041   4.559
  535    HA   GLN  72           HA       GLN  72  27.070  -1.280   1.858
  536   1HB   GLN  72          1HB       GLN  72  29.539  -0.907   3.546
  537   2HB   GLN  72          2HB       GLN  72  29.448  -2.221   2.370
  538   1HG   GLN  72          1HG       GLN  72  29.627  -0.809   0.601
  539   2HG   GLN  72          2HG       GLN  72  28.547   0.380   1.327
  540   2HE2  GLN  72          2HE2      GLN  72  31.707  -0.960   2.449
  541   1HE2  GLN  72          1HE2      GLN  72  32.455   0.556   2.616
  542    H    GLU  73           H        GLU  73  26.432  -3.401   1.881
  543    HA   GLU  73           HA       GLU  73  26.916  -5.050   4.287
  544   1HB   GLU  73          2HB       GLU  73  24.568  -5.633   4.569
  545   2HB   GLU  73          1HB       GLU  73  24.738  -3.880   4.680
  546   1HG   GLU  73          1HG       GLU  73  24.378  -4.370   1.950
  547   2HG   GLU  73          2HG       GLU  73  23.246  -5.464   2.746
  548    H    GLU  74           H        GLU  74  27.909  -5.184   1.578
  549    HA   GLU  74           HA       GLU  74  26.427  -7.489   0.422
  550   1HB   GLU  74          1HB       GLU  74  28.342  -5.461  -0.619
  551   2HB   GLU  74          2HB       GLU  74  28.428  -7.071  -1.336
  552   1HG   GLU  74          1HG       GLU  74  26.048  -6.998  -1.878
  553   2HG   GLU  74          2HG       GLU  74  25.887  -5.437  -1.073
  554    H    LEU  75           H        LEU  75  27.661  -9.428  -0.178
  555    HA   LEU  75           HA       LEU  75  30.351  -9.810   0.873
  556   1HB   LEU  75          1HB       LEU  75  29.352 -11.832   2.308
  557   2HB   LEU  75          2HB       LEU  75  29.536 -10.218   2.996
  558    HG   LEU  75           HG       LEU  75  27.011 -10.532   1.548
  559   1HD1  LEU  75          1HD1      LEU  75  27.872 -12.660   3.356
  560   2HD1  LEU  75          2HD1      LEU  75  26.389 -11.878   3.904
  561   3HD1  LEU  75          3HD1      LEU  75  26.465 -12.593   2.293
  562   1HD2  LEU  75          1HD2      LEU  75  28.096  -9.009   3.626
  563   2HD2  LEU  75          2HD2      LEU  75  26.415  -8.992   3.095
  564   3HD2  LEU  75          3HD2      LEU  75  26.910 -10.043   4.423
  565    H    GLN  76           H        GLN  76  31.281 -11.730   0.049
  566    HA   GLN  76           HA       GLN  76  29.522 -13.565  -1.481
  567   1HB   GLN  76          1HB       GLN  76  31.391 -13.357  -3.341
  568   2HB   GLN  76          2HB       GLN  76  30.054 -12.207  -3.294
  569   1HG   GLN  76          1HG       GLN  76  31.373 -10.503  -2.396
  570   2HG   GLN  76          2HG       GLN  76  32.551 -11.632  -1.727
  571   2HE2  GLN  76          2HE2      GLN  76  33.738  -9.668  -3.149
  572   1HE2  GLN  76          1HE2      GLN  76  34.199 -10.189  -4.698
  573    H    ARG  77           H        ARG  77  31.358 -13.605   0.954
  574    HA   ARG  77           HA       ARG  77  33.149 -15.810   0.009
  575   1HB   ARG  77          1HB       ARG  77  33.955 -13.479   1.200
  576   2HB   ARG  77          2HB       ARG  77  33.784 -14.542   2.598
  577   1HG   ARG  77          1HG       ARG  77  35.998 -14.930   1.895
  578   2HG   ARG  77          2HG       ARG  77  35.104 -16.268   1.174
  579   1HD   ARG  77          1HD       ARG  77  34.883 -14.224  -0.708
  580   2HD   ARG  77          2HD       ARG  77  36.544 -14.094  -0.132
  581    HE   ARG  77           HE       ARG  77  35.858 -16.844  -0.701
  582   1HH1  ARG  77          1HH1      ARG  77  38.509 -15.928  -1.398
  583   2HH1  ARG  77          2HH1      ARG  77  38.436 -15.688  -3.112
  584   1HH2  ARG  77          1HH2      ARG  77  34.971 -15.619  -3.221
  585   2HH2  ARG  77          2HH2      ARG  77  36.433 -15.512  -4.144
  586    H    ILE  78           H        ILE  78  31.019 -14.669   2.608
  587    HA   ILE  78           HA       ILE  78  30.796 -17.515   3.507
  588    HB   ILE  78           HB       ILE  78  30.256 -15.222   5.369
  589   1HG1  ILE  78          1HG1      ILE  78  32.989 -16.378   4.716
  590   2HG1  ILE  78          2HG1      ILE  78  32.464 -14.722   4.409
  591   1HG2  ILE  78          1HG2      ILE  78  29.778 -17.686   5.861
  592   2HG2  ILE  78          2HG2      ILE  78  31.526 -17.921   5.872
  593   3HG2  ILE  78          3HG2      ILE  78  30.774 -16.842   7.047
  594   1HD1  ILE  78          1HD1      ILE  78  31.953 -14.649   6.959
  595   2HD1  ILE  78          2HD1      ILE  78  32.998 -16.066   7.051
  596   3HD1  ILE  78          3HD1      ILE  78  33.636 -14.540   6.442

  No H/Q in entry =         596
  Start of MODEL   27
    1    H1   MET   1           H1       MET   1 -29.691   1.095   4.622
    2    H2   MET   1           H2       MET   1 -28.681   2.460   4.694
    3    H3   MET   1           H3       MET   1 -28.077   0.981   4.115
    4    HA   MET   1           HA       MET   1 -27.237   1.107   6.268
    5   1HB   MET   1          1HB       MET   1 -29.971   2.222   6.884
    6   2HB   MET   1          2HB       MET   1 -28.949   1.571   8.166
    7   1HG   MET   1          1HG       MET   1 -27.187   3.168   6.769
    8   2HG   MET   1          2HG       MET   1 -28.692   4.084   6.663
    9   1HE   MET   1          1HE       MET   1 -30.282   4.073   8.410
   10   2HE   MET   1          2HE       MET   1 -30.035   3.220   9.932
   11   3HE   MET   1          3HE       MET   1 -29.857   4.972   9.874
   12    H    SER   2           H        SER   2 -27.673  -1.126   5.016
   13    HA   SER   2           HA       SER   2 -29.724  -2.763   6.373
   14   1HB   SER   2          1HB       SER   2 -28.126  -2.954   3.930
   15   2HB   SER   2          2HB       SER   2 -28.152  -4.467   4.833
   16    HG   SER   2           HG       SER   2 -30.174  -3.131   3.510
   17    H    ARG   3           H        ARG   3 -26.500  -1.861   6.892
   18    HA   ARG   3           HA       ARG   3 -26.215  -3.484   9.224
   19   1HB   ARG   3          1HB       ARG   3 -25.986  -5.313   7.573
   20   2HB   ARG   3          2HB       ARG   3 -24.652  -4.448   6.808
   21   1HG   ARG   3          1HG       ARG   3 -23.330  -4.590   8.851
   22   2HG   ARG   3          2HG       ARG   3 -24.681  -5.333   9.708
   23   1HD   ARG   3          1HD       ARG   3 -23.648  -6.600   7.186
   24   2HD   ARG   3          2HD       ARG   3 -22.795  -6.863   8.708
   25    HE   ARG   3           HE       ARG   3 -25.204  -8.172   7.969
   26   1HH1  ARG   3          1HH1      ARG   3 -26.592  -6.510   9.880
   27   2HH1  ARG   3          2HH1      ARG   3 -26.285  -7.271  11.406
   28   1HH2  ARG   3          1HH2      ARG   3 -23.598  -9.127  10.241
   29   2HH2  ARG   3          2HH2      ARG   3 -24.591  -8.754  11.610
   30    H    SER   4           H        SER   4 -23.940  -2.524   6.620
   31    HA   SER   4           HA       SER   4 -22.678  -0.671   8.602
   32   1HB   SER   4          1HB       SER   4 -21.398  -2.611   6.681
   33   2HB   SER   4          2HB       SER   4 -20.521  -1.198   7.261
   34    HG   SER   4           HG       SER   4 -20.393  -2.067   9.187
   35    HA   PRO   5           HA       PRO   5 -22.987   2.404   5.488
   36   1HB   PRO   5          1HB       PRO   5 -20.758   3.913   6.057
   37   2HB   PRO   5          2HB       PRO   5 -22.224   3.914   7.054
   38   1HG   PRO   5          2HG       PRO   5 -19.587   2.629   7.595
   39   2HG   PRO   5          1HG       PRO   5 -20.811   3.203   8.740
   40   1HD   PRO   5          1HD       PRO   5 -20.379   0.509   7.995
   41   2HD   PRO   5          2HD       PRO   5 -21.799   1.136   8.859
   42    H    ASP   6           H        ASP   6 -20.962   3.749   4.105
   43    HA   ASP   6           HA       ASP   6 -19.595   3.508   2.212
   44   1HB   ASP   6          1HB       ASP   6 -18.601   1.582   4.208
   45   2HB   ASP   6          2HB       ASP   6 -18.175   1.177   2.545
   46    H    ALA   7           H        ALA   7 -21.436   3.072   0.840
   47    HA   ALA   7           HA       ALA   7 -21.270   0.713  -0.711
   48   1HB   ALA   7          1HB       ALA   7 -23.843   0.279   0.498
   49   2HB   ALA   7          3HB       ALA   7 -22.609   0.280   1.757
   50   3HB   ALA   7          2HB       ALA   7 -22.477  -0.832   0.395
   51    H    LYS   8           H        LYS   8 -21.560   3.407  -1.289
   52    HA   LYS   8           HA       LYS   8 -23.980   3.358  -2.936
   53   1HB   LYS   8          1HB       LYS   8 -24.468   4.309  -0.494
   54   2HB   LYS   8          2HB       LYS   8 -23.766   5.773  -1.184
   55   1HG   LYS   8          2HG       LYS   8 -26.025   6.033  -1.720
   56   2HG   LYS   8          1HG       LYS   8 -25.393   5.281  -3.186
   57   1HD   LYS   8          2HD       LYS   8 -27.372   4.060  -2.629
   58   2HD   LYS   8          1HD       LYS   8 -26.021   3.035  -2.143
   59   1HE   LYS   8          1HE       LYS   8 -26.234   4.025   0.179
   60   2HE   LYS   8          2HE       LYS   8 -27.730   4.787  -0.359
   61   1HZ   LYS   8          1HZ       LYS   8 -27.828   2.114  -1.128
   62   2HZ   LYS   8          2HZ       LYS   8 -27.322   2.140   0.494
   63   3HZ   LYS   8          3HZ       LYS   8 -28.775   2.896   0.042
   64    H    GLU   9           H        GLU   9 -21.158   5.156  -1.749
   65    HA   GLU   9           HA       GLU   9 -20.754   6.149  -4.528
   66   1HB   GLU   9          1HB       GLU   9 -21.784   8.003  -3.300
   67   2HB   GLU   9          2HB       GLU   9 -20.592   7.837  -2.011
   68   1HG   GLU   9          1HG       GLU   9 -19.132   9.120  -3.140
   69   2HG   GLU   9          2HG       GLU   9 -19.235   8.057  -4.543
   70    H    ASP  10           H        ASP  10 -18.831   5.241  -5.087
   71    HA   ASP  10           HA       ASP  10 -16.516   4.813  -5.010
   72   1HB   ASP  10          1HB       ASP  10 -16.710   7.094  -3.596
   73   2HB   ASP  10          2HB       ASP  10 -16.207   6.008  -2.299
   74    HA   PRO  11           HA       PRO  11 -17.511   1.344  -2.178
   75   1HB   PRO  11          1HB       PRO  11 -17.172  -0.594  -4.099
   76   2HB   PRO  11          2HB       PRO  11 -18.710   0.235  -3.805
   77   1HG   PRO  11          2HG       PRO  11 -16.784   0.596  -6.050
   78   2HG   PRO  11          1HG       PRO  11 -18.529   0.898  -6.009
   79   1HD   PRO  11          1HD       PRO  11 -16.495   2.864  -5.825
   80   2HD   PRO  11          2HD       PRO  11 -18.220   3.105  -5.477
   81    H    VAL  12           H        VAL  12 -15.567   1.437  -0.987
   82    HA   VAL  12           HA       VAL  12 -13.046   0.651  -2.352
   83    HB   VAL  12           HB       VAL  12 -13.093   1.291   0.562
   84   1HG1  VAL  12          1HG1      VAL  12 -11.170   0.981  -1.412
   85   2HG1  VAL  12          2HG1      VAL  12 -11.293   2.732  -1.246
   86   3HG1  VAL  12          3HG1      VAL  12 -10.910   1.739   0.160
   87   1HG2  VAL  12          1HG2      VAL  12 -14.108   3.094  -1.560
   88   2HG2  VAL  12          2HG2      VAL  12 -14.379   3.141   0.182
   89   3HG2  VAL  12          3HG2      VAL  12 -12.889   3.797  -0.496
   90    H    GLU  13           H        GLU  13 -13.263  -1.600  -2.573
   91    HA   GLU  13           HA       GLU  13 -13.359  -3.109   0.005
   92   1HB   GLU  13          1HB       GLU  13 -15.298  -3.175  -2.051
   93   2HB   GLU  13          2HB       GLU  13 -14.391  -4.683  -2.184
   94   1HG   GLU  13          1HG       GLU  13 -15.068  -5.434  -0.117
   95   2HG   GLU  13          2HG       GLU  13 -15.182  -3.806   0.554
   96    H    CYS  14           H        CYS  14 -11.483  -4.218   0.247
   97    HA   CYS  14           HA       CYS  14  -9.373  -4.418  -1.532
   98   1HB   CYS  14          1HB       CYS  14  -9.631  -5.292   0.934
   99   2HB   CYS  14          2HB       CYS  14 -10.048  -6.815   0.152
  100    HA   PRO  15           HA       PRO  15 -11.521  -6.992  -4.570
  101   1HB   PRO  15          1HB       PRO  15  -9.958  -6.163  -6.671
  102   2HB   PRO  15          2HB       PRO  15 -11.364  -5.259  -6.085
  103   1HG   PRO  15          2HG       PRO  15  -8.467  -4.660  -5.723
  104   2HG   PRO  15          1HG       PRO  15  -9.851  -3.553  -5.716
  105   1HD   PRO  15          1HD       PRO  15  -8.478  -4.528  -3.431
  106   2HD   PRO  15          2HD       PRO  15 -10.030  -3.665  -3.435
  107    H    LEU  16           H        LEU  16  -8.464  -7.099  -3.206
  108    HA   LEU  16           HA       LEU  16  -7.448  -9.245  -4.982
  109   1HB   LEU  16          2HB       LEU  16  -6.143  -8.115  -2.495
  110   2HB   LEU  16          1HB       LEU  16  -5.371  -9.010  -3.806
  111    HG   LEU  16           HG       LEU  16  -6.729  -6.801  -4.979
  112   1HD1  LEU  16          1HD1      LEU  16  -6.336  -6.080  -2.420
  113   2HD1  LEU  16          2HD1      LEU  16  -4.736  -5.703  -3.058
  114   3HD1  LEU  16          3HD1      LEU  16  -6.163  -4.939  -3.754
  115   1HD2  LEU  16          1HD2      LEU  16  -3.802  -7.406  -4.468
  116   2HD2  LEU  16          2HD2      LEU  16  -4.737  -7.849  -5.896
  117   3HD2  LEU  16          3HD2      LEU  16  -4.377  -6.151  -5.568
  118    H    CYS  17           H        CYS  17  -8.961  -8.794  -1.869
  119    HA   CYS  17           HA       CYS  17  -8.901 -11.753  -1.508
  120   1HB   CYS  17          1HB       CYS  17  -8.256 -11.627   0.750
  121   2HB   CYS  17          2HB       CYS  17  -7.221 -10.426  -0.019
  122    H    MET  18           H        MET  18 -10.768  -9.169  -2.049
  123    HA   MET  18           HA       MET  18 -13.031  -8.700  -1.729
  124   1HB   MET  18          1HB       MET  18 -12.749 -11.558  -1.788
  125   2HB   MET  18          2HB       MET  18 -13.996 -11.132  -0.615
  126   1HG   MET  18          1HG       MET  18 -15.340 -10.101  -2.213
  127   2HG   MET  18          2HG       MET  18 -13.982  -9.773  -3.290
  128   1HE   MET  18          1HE       MET  18 -16.595 -12.240  -1.985
  129   2HE   MET  18          2HE       MET  18 -16.068 -13.809  -2.586
  130   3HE   MET  18          3HE       MET  18 -15.123 -12.968  -1.350
  131    H    GLU  19           H        GLU  19 -13.128  -7.256  -0.028
  132    HA   GLU  19           HA       GLU  19 -14.123  -8.143   2.512
  133   1HB   GLU  19          1HB       GLU  19 -11.261  -8.155   2.222
  134   2HB   GLU  19          2HB       GLU  19 -11.720  -6.898   3.370
  135   1HG   GLU  19          1HG       GLU  19 -13.361  -8.953   4.136
  136   2HG   GLU  19          2HG       GLU  19 -11.924  -9.831   3.613
  137    HA   PRO  20           HA       PRO  20 -15.208  -3.883   2.475
  138   1HB   PRO  20          1HB       PRO  20 -16.028  -3.658   5.087
  139   2HB   PRO  20          2HB       PRO  20 -16.977  -4.468   3.830
  140   1HG   PRO  20          2HG       PRO  20 -15.403  -5.670   6.058
  141   2HG   PRO  20          1HG       PRO  20 -16.807  -6.322   5.197
  142   1HD   PRO  20          1HD       PRO  20 -14.105  -7.067   4.775
  143   2HD   PRO  20          2HD       PRO  20 -15.477  -7.467   3.722
  144    H    LEU  21           H        LEU  21 -13.560  -2.388   2.389
  145    HA   LEU  21           HA       LEU  21 -11.309  -2.338   4.157
  146   1HB   LEU  21          1HB       LEU  21 -12.483  -0.412   2.166
  147   2HB   LEU  21          2HB       LEU  21 -11.146   0.094   3.201
  148    HG   LEU  21           HG       LEU  21 -10.865  -2.546   1.859
  149   1HD1  LEU  21          1HD1      LEU  21 -11.613  -0.265   0.356
  150   2HD1  LEU  21          2HD1      LEU  21  -9.878  -0.476   0.111
  151   3HD1  LEU  21          3HD1      LEU  21 -10.989  -1.795  -0.259
  152   1HD2  LEU  21          1HD2      LEU  21  -9.150  -1.565   3.362
  153   2HD2  LEU  21          2HD2      LEU  21  -8.536  -1.792   1.724
  154   3HD2  LEU  21          3HD2      LEU  21  -9.008  -0.183   2.275
  155    H    GLU  22           H        GLU  22 -10.902  -1.040   5.980
  156    HA   GLU  22           HA       GLU  22 -13.291  -0.125   7.420
  157   1HB   GLU  22          2HB       GLU  22 -10.414   0.187   8.303
  158   2HB   GLU  22          1HB       GLU  22 -11.856   0.109   9.314
  159   1HG   GLU  22          1HG       GLU  22 -11.497  -2.224   7.549
  160   2HG   GLU  22          2HG       GLU  22 -10.232  -2.034   8.763
  161    H    ILE  23           H        ILE  23 -11.805   2.035   8.813
  162    HA   ILE  23           HA       ILE  23 -12.363   4.158   6.842
  163    HB   ILE  23           HB       ILE  23 -11.621   4.245   9.781
  164   1HG1  ILE  23          2HG1      ILE  23 -13.870   3.400   9.385
  165   2HG1  ILE  23          1HG1      ILE  23 -13.989   5.058   9.977
  166   1HG2  ILE  23          1HG2      ILE  23 -11.821   6.349   7.697
  167   2HG2  ILE  23          2HG2      ILE  23 -12.635   6.698   9.223
  168   3HG2  ILE  23          3HG2      ILE  23 -10.908   6.340   9.207
  169   1HD1  ILE  23          1HD1      ILE  23 -14.032   5.762   7.506
  170   2HD1  ILE  23          2HD1      ILE  23 -14.321   4.061   7.144
  171   3HD1  ILE  23          3HD1      ILE  23 -15.477   4.963   8.125
  172    H    ASP  24           H        ASP  24  -9.653   3.387   9.058
  173    HA   ASP  24           HA       ASP  24  -7.828   5.160   7.685
  174   1HB   ASP  24          1HB       ASP  24  -7.603   3.077   9.822
  175   2HB   ASP  24          2HB       ASP  24  -6.130   3.592   9.002
  176    H    ASP  25           H        ASP  25  -9.064   2.107   6.889
  177    HA   ASP  25           HA       ASP  25  -6.659   1.195   5.453
  178   1HB   ASP  25          1HB       ASP  25  -9.483   0.093   5.554
  179   2HB   ASP  25          2HB       ASP  25  -8.126  -0.687   4.741
  180    H    ILE  26           H        ILE  26  -9.112   3.402   4.849
  181    HA   ILE  26           HA       ILE  26  -9.642   2.846   2.067
  182    HB   ILE  26           HB       ILE  26  -9.783   5.498   3.536
  183   1HG1  ILE  26          1HG1      ILE  26 -11.093   3.599   4.573
  184   2HG1  ILE  26          2HG1      ILE  26 -12.088   4.940   4.009
  185   1HG2  ILE  26          1HG2      ILE  26  -9.842   5.627   1.047
  186   2HG2  ILE  26          2HG2      ILE  26 -11.210   4.512   1.046
  187   3HG2  ILE  26          3HG2      ILE  26 -11.372   6.107   1.781
  188   1HD1  ILE  26          1HD1      ILE  26 -11.506   2.607   2.197
  189   2HD1  ILE  26          2HD1      ILE  26 -12.809   2.517   3.383
  190   3HD1  ILE  26          3HD1      ILE  26 -12.844   3.754   2.127
  191    H    ASN  27           H        ASN  27  -7.696   5.497   3.502
  192    HA   ASN  27           HA       ASN  27  -6.206   5.737   0.959
  193   1HB   ASN  27          1HB       ASN  27  -5.039   7.615   2.306
  194   2HB   ASN  27          2HB       ASN  27  -6.735   7.851   1.886
  195   2HD2  ASN  27          2HD2      ASN  27  -4.929   6.192   4.550
  196   1HD2  ASN  27          1HD2      ASN  27  -5.906   6.817   5.789
  197    H    PHE  28           H        PHE  28  -5.942   3.376   2.831
  198    HA   PHE  28           HA       PHE  28  -3.095   3.677   3.641
  199   1HB   PHE  28          1HB       PHE  28  -4.427   2.775   5.412
  200   2HB   PHE  28          2HB       PHE  28  -5.228   1.641   4.323
  201    HD1  PHE  28           HD1      PHE  28  -1.810   2.563   5.560
  202    HD2  PHE  28           HD2      PHE  28  -4.412  -0.544   4.139
  203    HE1  PHE  28           HE1      PHE  28  -0.043   0.880   6.004
  204    HE2  PHE  28           HE2      PHE  28  -2.646  -2.227   4.580
  205    HZ   PHE  28           HZ       PHE  28  -0.461  -1.515   5.513
  206    H    PHE  29           H        PHE  29  -1.664   3.076   2.097
  207    HA   PHE  29           HA       PHE  29  -2.187   0.549   0.614
  208   1HB   PHE  29          1HB       PHE  29  -0.980   1.881  -1.357
  209   2HB   PHE  29          2HB       PHE  29  -2.728   1.950  -1.150
  210    HD1  PHE  29           HD1      PHE  29   0.413   3.675  -0.035
  211    HD2  PHE  29           HD2      PHE  29  -3.784   4.014  -0.919
  212    HE1  PHE  29           HE1      PHE  29   0.530   6.130   0.314
  213    HE2  PHE  29           HE2      PHE  29  -3.666   6.463  -0.564
  214    HZ   PHE  29           HZ       PHE  29  -1.505   7.523   0.049
  215    HA   PRO  30           HA       PRO  30   2.019  -0.114   1.707
  216   1HB   PRO  30          1HB       PRO  30   2.521  -2.195  -0.023
  217   2HB   PRO  30          2HB       PRO  30   1.586  -2.371   1.473
  218   1HG   PRO  30          2HG       PRO  30   0.618  -2.293  -1.347
  219   2HG   PRO  30          1HG       PRO  30  -0.109  -3.075   0.067
  220   1HD   PRO  30          1HD       PRO  30  -0.936  -0.622  -1.068
  221   2HD   PRO  30          2HD       PRO  30  -1.402  -1.237   0.533
  222    H    CYS  31           H        CYS  31   0.938   0.892  -1.379
  223    HA   CYS  31           HA       CYS  31   3.656   1.887  -2.024
  224   1HB   CYS  31          1HB       CYS  31   3.602  -0.161  -3.280
  225   2HB   CYS  31          2HB       CYS  31   1.955   0.150  -3.829
  226    H    THR  32           H        THR  32   3.574   3.681  -3.578
  227    HA   THR  32           HA       THR  32   1.036   5.176  -3.348
  228    HB   THR  32           HB       THR  32   2.449   7.008  -4.449
  229    HG1  THR  32           HG1      THR  32   4.732   5.718  -3.662
  230   1HG2  THR  32          1HG2      THR  32   2.212   6.171  -1.825
  231   2HG2  THR  32          2HG2      THR  32   3.958   6.302  -2.037
  232   3HG2  THR  32          3HG2      THR  32   2.924   7.698  -2.348
  233    H    CYS  33           H        CYS  33   0.044   3.507  -4.907
  234    HA   CYS  33           HA       CYS  33   0.121   4.679  -7.603
  235   1HB   CYS  33          1HB       CYS  33   0.663   2.662  -8.775
  236   2HB   CYS  33          2HB       CYS  33   1.900   2.866  -7.537
  237    H    GLY  34           H        GLY  34  -1.721   4.017  -5.189
  238   1HA   GLY  34          2HA       GLY  34  -4.081   3.507  -6.819
  239   2HA   GLY  34          1HA       GLY  34  -4.063   3.765  -5.074
  240    H    TYR  35           H        TYR  35  -1.844   1.492  -5.223
  241    HA   TYR  35           HA       TYR  35  -3.619  -0.833  -5.680
  242   1HB   TYR  35          1HB       TYR  35  -1.449  -1.205  -6.550
  243   2HB   TYR  35          2HB       TYR  35  -0.664  -0.482  -5.152
  244    HD1  TYR  35           HD1      TYR  35  -2.926  -3.365  -6.029
  245    HD2  TYR  35           HD2      TYR  35   0.229  -1.872  -3.522
  246    HE1  TYR  35           HE1      TYR  35  -2.705  -5.595  -4.971
  247    HE2  TYR  35           HE2      TYR  35   0.443  -4.103  -2.463
  248    HH   TYR  35           HH       TYR  35  -0.840  -6.103  -2.122
  249    H    GLN  36           H        GLN  36  -4.119   1.077  -3.484
  250    HA   GLN  36           HA       GLN  36  -3.275   0.185  -0.954
  251   1HB   GLN  36          1HB       GLN  36  -5.581   1.039  -0.189
  252   2HB   GLN  36          2HB       GLN  36  -4.541   2.198  -1.016
  253   1HG   GLN  36          1HG       GLN  36  -5.878   2.289  -2.865
  254   2HG   GLN  36          2HG       GLN  36  -6.310   0.580  -2.763
  255   2HE2  GLN  36          2HE2      GLN  36  -7.209   3.821  -1.712
  256   1HE2  GLN  36          1HE2      GLN  36  -8.664   3.376  -0.960
  257    H    ILE  37           H        ILE  37  -3.875  -1.498   0.368
  258    HA   ILE  37           HA       ILE  37  -6.037  -3.304  -0.617
  259    HB   ILE  37           HB       ILE  37  -4.675  -5.245   0.017
  260   1HG1  ILE  37          1HG1      ILE  37  -2.595  -3.146   0.712
  261   2HG1  ILE  37          2HG1      ILE  37  -3.390  -4.246   1.838
  262   1HG2  ILE  37          1HG2      ILE  37  -4.449  -3.983  -2.261
  263   2HG2  ILE  37          2HG2      ILE  37  -2.861  -3.516  -1.652
  264   3HG2  ILE  37          3HG2      ILE  37  -3.262  -5.222  -1.854
  265   1HD1  ILE  37          1HD1      ILE  37  -2.170  -5.656  -0.412
  266   2HD1  ILE  37          2HD1      ILE  37  -0.991  -4.733   0.518
  267   3HD1  ILE  37          3HD1      ILE  37  -1.992  -5.945   1.318
  268    H    CYS  38           H        CYS  38  -6.321  -5.035   1.371
  269    HA   CYS  38           HA       CYS  38  -7.140  -3.339   3.621
  270   1HB   CYS  38          1HB       CYS  38  -8.374  -5.222   4.391
  271   2HB   CYS  38          2HB       CYS  38  -8.507  -5.282   2.635
  272    H    ARG  39           H        ARG  39  -6.559  -4.031   5.893
  273    HA   ARG  39           HA       ARG  39  -3.709  -4.181   6.171
  274   1HB   ARG  39          1HB       ARG  39  -6.020  -3.947   7.930
  275   2HB   ARG  39          2HB       ARG  39  -4.775  -4.985   8.624
  276   1HG   ARG  39          1HG       ARG  39  -3.417  -3.229   9.019
  277   2HG   ARG  39          2HG       ARG  39  -3.609  -2.634   7.370
  278   1HD   ARG  39          1HD       ARG  39  -5.020  -1.027   8.068
  279   2HD   ARG  39          2HD       ARG  39  -6.060  -2.229   8.834
  280    HE   ARG  39           HE       ARG  39  -3.628  -1.405  10.312
  281   1HH1  ARG  39          1HH1      ARG  39  -5.347  -2.701  12.061
  282   2HH1  ARG  39          2HH1      ARG  39  -6.433  -1.495  12.668
  283   1HH2  ARG  39          1HH2      ARG  39  -5.752   0.774  10.135
  284   2HH2  ARG  39          2HH2      ARG  39  -6.663   0.472  11.577
  285    H    PHE  40           H        PHE  40  -6.165  -6.618   5.891
  286    HA   PHE  40           HA       PHE  40  -4.572  -8.753   7.082
  287   1HB   PHE  40          1HB       PHE  40  -7.241  -8.456   6.372
  288   2HB   PHE  40          2HB       PHE  40  -6.627  -9.588   5.166
  289    HD1  PHE  40           HD1      PHE  40  -4.459 -10.893   6.777
  290    HD2  PHE  40           HD2      PHE  40  -8.511  -9.893   7.789
  291    HE1  PHE  40           HE1      PHE  40  -4.486 -12.712   8.461
  292    HE2  PHE  40           HE2      PHE  40  -8.539 -11.714   9.473
  293    HZ   PHE  40           HZ       PHE  40  -6.526 -13.123   9.809
  294    H    CYS  41           H        CYS  41  -4.674  -7.172   4.025
  295    HA   CYS  41           HA       CYS  41  -3.419  -9.442   2.606
  296   1HB   CYS  41          1HB       CYS  41  -4.557  -6.792   1.825
  297   2HB   CYS  41          2HB       CYS  41  -3.297  -7.474   0.797
  298    H    TRP  42           H        TRP  42  -2.605  -6.169   3.721
  299    HA   TRP  42           HA       TRP  42   0.088  -6.193   2.690
  300   1HB   TRP  42          1HB       TRP  42  -1.081  -4.104   3.296
  301   2HB   TRP  42          2HB       TRP  42  -1.101  -4.604   4.987
  302    HD1  TRP  42           HD1      TRP  42   1.545  -4.107   2.201
  303    HE1  TRP  42           HE1      TRP  42   3.663  -3.111   3.282
  304    HE3  TRP  42           HE3      TRP  42   0.065  -3.980   7.088
  305    HZ2  TRP  42           HZ2      TRP  42   4.605  -2.361   5.877
  306    HZ3  TRP  42           HZ3      TRP  42   1.592  -3.121   8.842
  307    HH2  TRP  42           HH2      TRP  42   3.858  -2.313   8.244
  308    H    HIS  43           H        HIS  43  -1.378  -7.271   5.712
  309    HA   HIS  43           HA       HIS  43   1.056  -7.601   7.190
  310   1HB   HIS  43          1HB       HIS  43  -1.754  -8.301   7.494
  311   2HB   HIS  43          2HB       HIS  43  -0.698  -9.584   8.087
  312    HD1  HIS  43           HD1      HIS  43  -0.389  -9.256  10.539
  313    HD2  HIS  43           HD2      HIS  43  -0.332  -5.625   8.491
  314    HE1  HIS  43           HE1      HIS  43   0.103  -7.467  12.264
  315    H    ARG  44           H        ARG  44  -0.081  -9.234   4.449
  316    HA   ARG  44           HA       ARG  44   1.378 -11.733   5.150
  317   1HB   ARG  44          1HB       ARG  44  -0.987 -11.669   4.077
  318   2HB   ARG  44          2HB       ARG  44  -0.134 -11.259   2.587
  319   1HG   ARG  44          1HG       ARG  44   1.379 -13.330   3.303
  320   2HG   ARG  44          2HG       ARG  44  -0.090 -13.801   4.160
  321   1HD   ARG  44          1HD       ARG  44  -1.377 -13.802   2.140
  322   2HD   ARG  44          2HD       ARG  44  -0.085 -13.004   1.241
  323    HE   ARG  44           HE       ARG  44   1.105 -15.336   2.099
  324   1HH1  ARG  44          1HH1      ARG  44  -0.793 -14.303  -0.425
  325   2HH1  ARG  44          2HH1      ARG  44  -1.319 -15.874  -0.927
  326   1HH2  ARG  44          1HH2      ARG  44  -0.018 -17.489   1.851
  327   2HH2  ARG  44          2HH2      ARG  44  -0.881 -17.677   0.362
  328    H    ILE  45           H        ILE  45   1.221  -9.316   2.511
  329    HA   ILE  45           HA       ILE  45   3.451 -10.285   1.042
  330    HB   ILE  45           HB       ILE  45   2.260  -7.518   1.327
  331   1HG1  ILE  45          1HG1      ILE  45   2.297  -9.285  -1.114
  332   2HG1  ILE  45          2HG1      ILE  45   1.104  -9.549   0.158
  333   1HG2  ILE  45          1HG2      ILE  45   4.780  -8.379   0.070
  334   2HG2  ILE  45          2HG2      ILE  45   3.706  -7.495  -1.015
  335   3HG2  ILE  45          3HG2      ILE  45   4.232  -6.758   0.498
  336   1HD1  ILE  45          1HD1      ILE  45   0.785  -6.915  -0.089
  337   2HD1  ILE  45          2HD1      ILE  45   1.406  -7.233  -1.709
  338   3HD1  ILE  45          3HD1      ILE  45  -0.061  -8.039  -1.152
  339    H    ARG  46           H        ARG  46   3.296  -7.976   3.748
  340    HA   ARG  46           HA       ARG  46   6.160  -7.447   3.666
  341   1HB   ARG  46          1HB       ARG  46   3.845  -6.576   5.266
  342   2HB   ARG  46          2HB       ARG  46   5.352  -6.682   6.176
  343   1HG   ARG  46          1HG       ARG  46   6.008  -5.499   3.689
  344   2HG   ARG  46          2HG       ARG  46   4.547  -4.688   4.255
  345   1HD   ARG  46          1HD       ARG  46   6.808  -3.734   5.056
  346   2HD   ARG  46          2HD       ARG  46   5.570  -4.011   6.282
  347    HE   ARG  46           HE       ARG  46   7.627  -6.112   5.796
  348   1HH1  ARG  46          1HH1      ARG  46   7.700  -3.329   7.496
  349   2HH1  ARG  46          2HH1      ARG  46   7.737  -4.035   9.078
  350   1HH2  ARG  46          1HH2      ARG  46   6.976  -7.228   7.959
  351   2HH2  ARG  46          2HH2      ARG  46   7.326  -6.244   9.341
  352    H    THR  47           H        THR  47   4.274 -10.025   4.851
  353    HA   THR  47           HA       THR  47   6.571 -10.880   6.564
  354    HB   THR  47           HB       THR  47   4.324 -10.271   7.736
  355    HG1  THR  47           HG1      THR  47   4.975 -11.583   9.268
  356   1HG2  THR  47          1HG2      THR  47   3.054 -11.700   5.986
  357   2HG2  THR  47          2HG2      THR  47   3.603 -13.084   6.930
  358   3HG2  THR  47          3HG2      THR  47   2.580 -11.856   7.677
  359    H    ASP  48           H        ASP  48   5.464 -11.394   3.661
  360    HA   ASP  48           HA       ASP  48   6.318 -14.184   3.604
  361   1HB   ASP  48          1HB       ASP  48   3.632 -13.809   4.100
  362   2HB   ASP  48          2HB       ASP  48   3.668 -13.966   2.343
  363    H    GLU  49           H        GLU  49   6.888 -11.485   2.372
  364    HA   GLU  49           HA       GLU  49   7.209 -12.472  -0.371
  365   1HB   GLU  49          1HB       GLU  49   4.896 -11.075   0.132
  366   2HB   GLU  49          2HB       GLU  49   5.990  -9.791  -0.382
  367   1HG   GLU  49          2HG       GLU  49   5.031 -10.580  -2.399
  368   2HG   GLU  49          1HG       GLU  49   6.615 -11.353  -2.337
  369    H    ASN  50           H        ASN  50   7.707  -9.812  -1.446
  370    HA   ASN  50           HA       ASN  50  10.248  -9.241   0.012
  371   1HB   ASN  50          1HB       ASN  50   9.391  -8.943  -2.861
  372   2HB   ASN  50          2HB       ASN  50  10.757  -8.021  -2.233
  373   2HD2  ASN  50          2HD2      ASN  50  11.013 -10.120  -4.238
  374   1HD2  ASN  50          1HD2      ASN  50  11.939 -11.366  -3.553
  375    H    GLY  51           H        GLY  51   7.420  -8.166   0.516
  376   1HA   GLY  51          2HA       GLY  51   8.086  -5.572   1.369
  377   2HA   GLY  51          1HA       GLY  51   6.434  -6.101   1.047
  378    H    LEU  52           H        LEU  52   7.270  -6.691  -1.824
  379    HA   LEU  52           HA       LEU  52   7.688  -3.923  -2.823
  380   1HB   LEU  52          1HB       LEU  52   7.895  -6.662  -4.068
  381   2HB   LEU  52          2HB       LEU  52   7.774  -5.222  -5.079
  382    HG   LEU  52           HG       LEU  52   9.914  -5.859  -3.035
  383   1HD1  LEU  52          1HD1      LEU  52   9.691  -5.793  -6.005
  384   2HD1  LEU  52          2HD1      LEU  52  11.189  -5.171  -5.311
  385   3HD1  LEU  52          3HD1      LEU  52  10.683  -6.827  -4.975
  386   1HD2  LEU  52          1HD2      LEU  52   9.152  -3.281  -4.397
  387   2HD2  LEU  52          2HD2      LEU  52   9.597  -3.549  -2.712
  388   3HD2  LEU  52          3HD2      LEU  52  10.833  -3.596  -3.969
  389    H    CYS  53           H        CYS  53   6.361  -3.486  -4.926
  390    HA   CYS  53           HA       CYS  53   3.519  -3.853  -4.217
  391   1HB   CYS  53          1HB       CYS  53   4.487  -1.608  -4.873
  392   2HB   CYS  53          2HB       CYS  53   4.684  -2.249  -6.504
  393    HA   PRO  54           HA       PRO  54   3.355  -7.071  -7.323
  394   1HB   PRO  54          1HB       PRO  54   0.826  -7.905  -6.654
  395   2HB   PRO  54          2HB       PRO  54   2.276  -8.380  -5.754
  396   1HG   PRO  54          2HG       PRO  54   0.146  -6.447  -4.986
  397   2HG   PRO  54          1HG       PRO  54   1.242  -7.377  -3.952
  398   1HD   PRO  54          1HD       PRO  54   1.503  -4.629  -4.640
  399   2HD   PRO  54          2HD       PRO  54   2.719  -5.633  -3.823
  400    H    ALA  55           H        ALA  55   1.597  -4.173  -7.059
  401    HA   ALA  55           HA       ALA  55  -0.039  -4.762  -9.475
  402   1HB   ALA  55          1HB       ALA  55  -0.307  -2.953  -7.165
  403   2HB   ALA  55          3HB       ALA  55  -0.731  -2.220  -8.712
  404   3HB   ALA  55          2HB       ALA  55  -1.554  -3.684  -8.176
  405    H    CYS  56           H        CYS  56   2.639  -2.724  -8.374
  406    HA   CYS  56           HA       CYS  56   2.960  -1.891 -11.213
  407   1HB   CYS  56          1HB       CYS  56   3.058   0.385 -10.758
  408   2HB   CYS  56          2HB       CYS  56   1.825  -0.131  -9.613
  409    H    ARG  57           H        ARG  57   4.333  -3.448  -8.708
  410    HA   ARG  57           HA       ARG  57   6.552  -4.067  -8.229
  411   1HB   ARG  57          1HB       ARG  57   6.930  -2.813 -10.962
  412   2HB   ARG  57          2HB       ARG  57   8.222  -3.630 -10.080
  413   1HG   ARG  57          1HG       ARG  57   6.528  -5.603  -9.894
  414   2HG   ARG  57          2HG       ARG  57   5.692  -4.795 -11.221
  415   1HD   ARG  57          1HD       ARG  57   7.989  -4.737 -12.393
  416   2HD   ARG  57          2HD       ARG  57   8.492  -5.921 -11.186
  417    HE   ARG  57           HE       ARG  57   7.166  -6.674 -13.475
  418   1HH1  ARG  57          1HH1      ARG  57   7.630  -8.280 -10.820
  419   2HH1  ARG  57          2HH1      ARG  57   6.038  -8.923 -10.591
  420   1HH2  ARG  57          1HH2      ARG  57   4.558  -6.789 -12.891
  421   2HH2  ARG  57          2HH2      ARG  57   4.299  -8.078 -11.764
  422    H    LYS  58           H        LYS  58   6.515  -2.464  -6.474
  423    HA   LYS  58           HA       LYS  58   8.658  -0.497  -6.782
  424   1HB   LYS  58          1HB       LYS  58   5.874   0.308  -6.974
  425   2HB   LYS  58          2HB       LYS  58   6.647   1.056  -5.576
  426   1HG   LYS  58          1HG       LYS  58   8.522   1.792  -7.047
  427   2HG   LYS  58          2HG       LYS  58   7.657   1.130  -8.434
  428   1HD   LYS  58          2HD       LYS  58   7.037   3.399  -8.461
  429   2HD   LYS  58          1HD       LYS  58   5.685   2.627  -7.632
  430   1HE   LYS  58          1HE       LYS  58   6.086   3.798  -5.751
  431   2HE   LYS  58          2HE       LYS  58   7.778   3.303  -5.746
  432   1HZ   LYS  58          1HZ       LYS  58   6.715   5.458  -7.484
  433   2HZ   LYS  58          2HZ       LYS  58   7.395   5.744  -5.957
  434   3HZ   LYS  58          3HZ       LYS  58   8.343   5.069  -7.194
  435    HA   PRO  59           HA       PRO  59   9.112  -1.680  -2.591
  436   1HB   PRO  59          1HB       PRO  59  10.731   0.387  -1.758
  437   2HB   PRO  59          2HB       PRO  59  11.297  -0.975  -2.741
  438   1HG   PRO  59          2HG       PRO  59  10.733   1.839  -3.571
  439   2HG   PRO  59          1HG       PRO  59  11.871   0.671  -4.265
  440   1HD   PRO  59          1HD       PRO  59   9.355   1.333  -5.346
  441   2HD   PRO  59          2HD       PRO  59  10.317  -0.099  -5.774
  442    H    TYR  60           H        TYR  60   7.550  -1.453  -1.048
  443    HA   TYR  60           HA       TYR  60   5.699   0.627  -0.825
  444   1HB   TYR  60          1HB       TYR  60   6.811  -1.085   1.420
  445   2HB   TYR  60          2HB       TYR  60   5.322  -0.148   1.507
  446    HD1  TYR  60           HD1      TYR  60   5.165  -0.948  -1.747
  447    HD2  TYR  60           HD2      TYR  60   5.122  -2.975   2.040
  448    HE1  TYR  60           HE1      TYR  60   3.912  -2.826  -2.763
  449    HE2  TYR  60           HE2      TYR  60   3.871  -4.856   1.019
  450    HH   TYR  60           HH       TYR  60   2.439  -4.639  -2.082
  451    HA   PRO  61           HA       PRO  61   7.966   3.968   0.928
  452   1HB   PRO  61          1HB       PRO  61   5.824   5.429   1.839
  453   2HB   PRO  61          2HB       PRO  61   6.283   5.331   0.130
  454   1HG   PRO  61          2HG       PRO  61   3.996   4.038   1.533
  455   2HG   PRO  61          1HG       PRO  61   4.165   4.465  -0.177
  456   1HD   PRO  61          1HD       PRO  61   4.464   1.873   0.942
  457   2HD   PRO  61          2HD       PRO  61   4.901   2.363  -0.709
  458    H    GLU  62           H        GLU  62   8.940   2.774   2.739
  459    HA   GLU  62           HA       GLU  62   7.359   2.687   5.250
  460   1HB   GLU  62          2HB       GLU  62  10.165   1.675   4.684
  461   2HB   GLU  62          1HB       GLU  62   9.216   1.354   6.135
  462   1HG   GLU  62          1HG       GLU  62   7.640   0.031   4.945
  463   2HG   GLU  62          2HG       GLU  62   8.214   0.617   3.383
  464    H    ASP  63           H        ASP  63   8.112   5.271   4.210
  465    HA   ASP  63           HA       ASP  63   9.714   6.210   6.522
  466   1HB   ASP  63          1HB       ASP  63  10.913   7.779   4.825
  467   2HB   ASP  63          2HB       ASP  63  11.468   6.110   4.957
  468    HA   PRO  64           HA       PRO  64   6.762   9.457   6.411
  469   1HB   PRO  64          1HB       PRO  64   8.167  11.349   7.826
  470   2HB   PRO  64          2HB       PRO  64   7.413   9.928   8.571
  471   1HG   PRO  64          2HG       PRO  64  10.296  10.452   8.028
  472   2HG   PRO  64          1HG       PRO  64   9.556   9.410   9.255
  473   1HD   PRO  64          1HD       PRO  64  10.718   8.548   6.815
  474   2HD   PRO  64          2HD       PRO  64   9.714   7.567   7.905
  475    H    ALA  65           H        ALA  65   9.625   9.587   4.668
  476    HA   ALA  65           HA       ALA  65   9.357  12.400   3.822
  477   1HB   ALA  65          1HB       ALA  65  11.450  12.177   2.908
  478   2HB   ALA  65          3HB       ALA  65  11.539  10.833   4.046
  479   3HB   ALA  65          2HB       ALA  65  11.146  10.531   2.353
  480    H    VAL  66           H        VAL  66   7.355  10.102   3.253
  481    HA   VAL  66           HA       VAL  66   5.963   9.451   1.487
  482    HB   VAL  66           HB       VAL  66   6.990  12.116   0.473
  483   1HG1  VAL  66          1HG1      VAL  66   4.845  10.277  -0.621
  484   2HG1  VAL  66          2HG1      VAL  66   4.977  11.981  -1.055
  485   3HG1  VAL  66          3HG1      VAL  66   6.280  10.863  -1.462
  486   1HG2  VAL  66          1HG2      VAL  66   5.287  11.516   2.557
  487   2HG2  VAL  66          2HG2      VAL  66   5.285  13.037   1.664
  488   3HG2  VAL  66          3HG2      VAL  66   4.165  11.751   1.217
  489    H    TYR  67           H        TYR  67   8.153  11.147  -0.652
  490    HA   TYR  67           HA       TYR  67   9.865   8.975  -1.347
  491   1HB   TYR  67          1HB       TYR  67   7.875   7.847  -2.156
  492   2HB   TYR  67          2HB       TYR  67   7.370   9.285  -3.043
  493    HD1  TYR  67           HD1      TYR  67   8.723  10.086  -4.997
  494    HD2  TYR  67           HD2      TYR  67   9.504   6.336  -3.051
  495    HE1  TYR  67           HE1      TYR  67  10.048   9.343  -6.957
  496    HE2  TYR  67           HE2      TYR  67  10.829   5.595  -5.012
  497    HH   TYR  67           HH       TYR  67  12.182   7.218  -7.033
  498    H    LYS  68           H        LYS  68  11.312   9.602  -3.071
  499    HA   LYS  68           HA       LYS  68  10.943  11.724  -4.871
  500   1HB   LYS  68          1HB       LYS  68  11.200  12.645  -2.169
  501   2HB   LYS  68          2HB       LYS  68  12.624  13.155  -3.078
  502   1HG   LYS  68          1HG       LYS  68  10.060  13.464  -4.516
  503   2HG   LYS  68          2HG       LYS  68  10.242  14.493  -3.096
  504   1HD   LYS  68          1HD       LYS  68  12.416  14.253  -5.180
  505   2HD   LYS  68          2HD       LYS  68  11.119  15.443  -5.314
  506   1HE   LYS  68          2HE       LYS  68  12.312  16.793  -3.964
  507   2HE   LYS  68          1HE       LYS  68  12.040  15.635  -2.662
  508   1HZ   LYS  68          1HZ       LYS  68  14.105  14.822  -4.476
  509   2HZ   LYS  68          2HZ       LYS  68  14.452  16.299  -3.711
  510   3HZ   LYS  68          3HZ       LYS  68  14.127  14.914  -2.783
  511    HA   PRO  69           HA       PRO  69  15.628  11.010  -4.351
  512   1HB   PRO  69          1HB       PRO  69  16.484   9.641  -2.125
  513   2HB   PRO  69          2HB       PRO  69  16.312  11.404  -2.188
  514   1HG   PRO  69          2HG       PRO  69  14.564   9.392  -0.845
  515   2HG   PRO  69          1HG       PRO  69  14.829  11.097  -0.443
  516   1HD   PRO  69          1HD       PRO  69  12.582  10.051  -1.802
  517   2HD   PRO  69          2HD       PRO  69  13.033  11.765  -1.695
  518    H    LEU  70           H        LEU  70  16.785   9.260  -5.280
  519    HA   LEU  70           HA       LEU  70  15.790   6.507  -4.825
  520   1HB   LEU  70          1HB       LEU  70  15.753   6.203  -7.380
  521   2HB   LEU  70          2HB       LEU  70  14.407   7.096  -6.670
  522    HG   LEU  70           HG       LEU  70  16.860   8.567  -7.602
  523   1HD1  LEU  70          1HD1      LEU  70  14.583   7.505  -9.283
  524   2HD1  LEU  70          2HD1      LEU  70  15.521   8.918  -9.768
  525   3HD1  LEU  70          3HD1      LEU  70  16.315   7.354  -9.575
  526   1HD2  LEU  70          1HD2      LEU  70  14.181   9.175  -6.623
  527   2HD2  LEU  70          2HD2      LEU  70  15.574  10.243  -6.793
  528   3HD2  LEU  70          3HD2      LEU  70  14.503   9.965  -8.166
  529    H    SER  71           H        SER  71  17.267   4.901  -5.937
  530    HA   SER  71           HA       SER  71  19.999   6.023  -6.383
  531   1HB   SER  71          1HB       SER  71  20.123   5.169  -4.159
  532   2HB   SER  71          2HB       SER  71  19.183   3.738  -4.576
  533    HG   SER  71           HG       SER  71  21.734   4.399  -5.643
  534    H    GLN  72           H        GLN  72  17.803   4.971  -8.162
  535    HA   GLN  72           HA       GLN  72  17.701   3.682 -10.120
  536   1HB   GLN  72          1HB       GLN  72  20.573   3.979  -9.542
  537   2HB   GLN  72          2HB       GLN  72  20.181   2.550 -10.500
  538   1HG   GLN  72          2HG       GLN  72  20.183   3.967 -12.271
  539   2HG   GLN  72          1HG       GLN  72  18.603   4.476 -11.674
  540   2HE2  GLN  72          2HE2      GLN  72  22.031   5.366 -11.806
  541   1HE2  GLN  72          1HE2      GLN  72  21.819   6.959 -11.258
  542    H    GLU  73           H        GLU  73  20.266   1.644  -8.874
  543    HA   GLU  73           HA       GLU  73  18.918  -0.207  -7.296
  544   1HB   GLU  73          1HB       GLU  73  17.249  -0.597  -8.963
  545   2HB   GLU  73          2HB       GLU  73  18.453  -0.680 -10.250
  546   1HG   GLU  73          1HG       GLU  73  18.772  -2.880  -9.896
  547   2HG   GLU  73          2HG       GLU  73  19.048  -2.613  -8.175
  548    H    GLU  74           H        GLU  74  21.357   0.192  -6.911
  549    HA   GLU  74           HA       GLU  74  22.847  -2.129  -7.264
  550   1HB   GLU  74          1HB       GLU  74  22.740  -0.518  -9.702
  551   2HB   GLU  74          2HB       GLU  74  24.393  -0.796  -9.154
  552   1HG   GLU  74          1HG       GLU  74  22.436  -3.078  -9.237
  553   2HG   GLU  74          2HG       GLU  74  23.264  -2.570 -10.710
  554    H    LEU  75           H        LEU  75  25.406  -1.469  -7.319
  555    HA   LEU  75           HA       LEU  75  25.686   0.396  -5.071
  556   1HB   LEU  75          1HB       LEU  75  27.653  -1.324  -6.603
  557   2HB   LEU  75          2HB       LEU  75  28.140  -0.245  -5.295
  558    HG   LEU  75           HG       LEU  75  25.843  -1.922  -4.590
  559   1HD1  LEU  75          1HD1      LEU  75  28.074  -3.148  -5.972
  560   2HD1  LEU  75          2HD1      LEU  75  27.995  -3.717  -4.305
  561   3HD1  LEU  75          3HD1      LEU  75  26.598  -3.898  -5.366
  562   1HD2  LEU  75          1HD2      LEU  75  28.243  -0.744  -3.429
  563   2HD2  LEU  75          2HD2      LEU  75  26.740  -1.219  -2.637
  564   3HD2  LEU  75          3HD2      LEU  75  28.015  -2.409  -2.895
  565    H    GLN  76           H        GLN  76  28.023   1.705  -5.465
  566    HA   GLN  76           HA       GLN  76  27.278   3.801  -7.321
  567   1HB   GLN  76          1HB       GLN  76  28.521   4.293  -5.252
  568   2HB   GLN  76          2HB       GLN  76  29.879   3.328  -5.832
  569   1HG   GLN  76          1HG       GLN  76  30.628   4.993  -7.168
  570   2HG   GLN  76          2HG       GLN  76  29.008   5.345  -7.772
  571   2HE2  GLN  76          2HE2      GLN  76  29.969   5.405  -4.333
  572   1HE2  GLN  76          1HE2      GLN  76  29.719   7.071  -4.123
  573    H    ARG  77           H        ARG  77  30.282   1.842  -7.227
  574    HA   ARG  77           HA       ARG  77  31.628   1.077  -8.989
  575   1HB   ARG  77          1HB       ARG  77  29.509  -0.159  -9.519
  576   2HB   ARG  77          2HB       ARG  77  29.041   1.178 -10.569
  577   1HG   ARG  77          1HG       ARG  77  30.670   0.695 -12.145
  578   2HG   ARG  77          2HG       ARG  77  31.740  -0.055 -10.960
  579   1HD   ARG  77          1HD       ARG  77  29.141  -1.418 -11.330
  580   2HD   ARG  77          2HD       ARG  77  30.214  -1.465 -12.729
  581    HE   ARG  77           HE       ARG  77  31.278  -2.273 -10.066
  582   1HH1  ARG  77          1HH1      ARG  77  29.434  -3.859 -12.244
  583   2HH1  ARG  77          2HH1      ARG  77  30.635  -4.992 -12.767
  584   1HH2  ARG  77          1HH2      ARG  77  33.253  -3.349 -11.195
  585   2HH2  ARG  77          2HH2      ARG  77  32.797  -4.703 -12.175
  586    H    ILE  78           H        ILE  78  32.373   1.719 -11.272
  587    HA   ILE  78           HA       ILE  78  32.672   4.601 -11.356
  588    HB   ILE  78           HB       ILE  78  34.399   2.916 -12.127
  589   1HG1  ILE  78          2HG1      ILE  78  34.925   4.265 -14.262
  590   2HG1  ILE  78          1HG1      ILE  78  33.449   5.165 -13.912
  591   1HG2  ILE  78          1HG2      ILE  78  32.474   2.720 -14.464
  592   2HG2  ILE  78          2HG2      ILE  78  34.115   2.075 -14.458
  593   3HG2  ILE  78          3HG2      ILE  78  32.906   1.418 -13.355
  594   1HD1  ILE  78          1HD1      ILE  78  34.414   5.524 -11.560
  595   2HD1  ILE  78          2HD1      ILE  78  35.946   4.953 -12.223
  596   3HD1  ILE  78          3HD1      ILE  78  35.192   6.410 -12.873

  No H/Q in entry =         596
  Start of MODEL   28
    1    H1   MET   1           H1       MET   1 -25.668  -3.277  15.224
    2    H2   MET   1           H2       MET   1 -24.539  -4.038  16.239
    3    H3   MET   1           H3       MET   1 -25.216  -2.545  16.686
    4    HA   MET   1           HA       MET   1 -23.509  -1.524  15.745
    5   1HB   MET   1          1HB       MET   1 -22.851  -4.264  14.620
    6   2HB   MET   1          2HB       MET   1 -21.791  -2.858  14.502
    7   1HG   MET   1          1HG       MET   1 -22.454  -2.922  17.195
    8   2HG   MET   1          2HG       MET   1 -22.280  -4.628  16.781
    9   1HE   MET   1          1HE       MET   1 -21.146  -1.628  17.763
   10   2HE   MET   1          2HE       MET   1 -19.529  -2.049  18.324
   11   3HE   MET   1          3HE       MET   1 -19.726  -1.118  16.840
   12    H    SER   2           H        SER   2 -24.966  -3.824  13.430
   13    HA   SER   2           HA       SER   2 -24.882  -1.650  11.383
   14   1HB   SER   2          1HB       SER   2 -23.775  -3.874  10.862
   15   2HB   SER   2          2HB       SER   2 -25.378  -4.602  10.915
   16    HG   SER   2           HG       SER   2 -24.236  -2.880   9.054
   17    H    ARG   3           H        ARG   3 -26.793  -0.550  11.476
   18    HA   ARG   3           HA       ARG   3 -29.292  -2.015  12.089
   19   1HB   ARG   3          2HB       ARG   3 -28.833   0.943  11.599
   20   2HB   ARG   3          1HB       ARG   3 -30.312   0.208  12.217
   21   1HG   ARG   3          1HG       ARG   3 -29.244  -0.471  14.243
   22   2HG   ARG   3          2HG       ARG   3 -27.641  -0.114  13.598
   23   1HD   ARG   3          1HD       ARG   3 -29.756   2.023  13.894
   24   2HD   ARG   3          2HD       ARG   3 -28.639   1.626  15.200
   25    HE   ARG   3           HE       ARG   3 -27.646   2.479  12.511
   26   1HH1  ARG   3          1HH1      ARG   3 -26.845   1.838  15.708
   27   2HH1  ARG   3          2HH1      ARG   3 -25.914   3.278  15.949
   28   1HH2  ARG   3          1HH2      ARG   3 -26.822   4.688  12.913
   29   2HH2  ARG   3          2HH2      ARG   3 -25.901   4.893  14.366
   30    H    SER   4           H        SER   4 -28.693   0.616   9.751
   31    HA   SER   4           HA       SER   4 -30.680   0.041   7.931
   32   1HB   SER   4          1HB       SER   4 -28.240   1.525   7.886
   33   2HB   SER   4          2HB       SER   4 -28.341   0.608   6.385
   34    HG   SER   4           HG       SER   4 -30.612   1.943   7.350
   35    HA   PRO   5           HA       PRO   5 -29.662  -3.944   6.325
   36   1HB   PRO   5          1HB       PRO   5 -31.409  -3.901   4.203
   37   2HB   PRO   5          2HB       PRO   5 -31.915  -4.165   5.880
   38   1HG   PRO   5          2HG       PRO   5 -32.235  -1.733   4.186
   39   2HG   PRO   5          1HG       PRO   5 -33.210  -2.279   5.560
   40   1HD   PRO   5          1HD       PRO   5 -31.238  -0.244   5.623
   41   2HD   PRO   5          2HD       PRO   5 -31.995  -1.015   7.034
   42    H    ASP   6           H        ASP   6 -28.580  -4.888   4.469
   43    HA   ASP   6           HA       ASP   6 -27.288  -4.883   2.499
   44   1HB   ASP   6          1HB       ASP   6 -29.229  -3.372   1.687
   45   2HB   ASP   6          2HB       ASP   6 -28.136  -2.027   2.021
   46    H    ALA   7           H        ALA   7 -25.975  -4.451   4.834
   47    HA   ALA   7           HA       ALA   7 -24.291  -2.029   4.457
   48   1HB   ALA   7          1HB       ALA   7 -24.459  -2.026   6.714
   49   2HB   ALA   7          3HB       ALA   7 -25.101  -3.669   6.734
   50   3HB   ALA   7          2HB       ALA   7 -23.358  -3.405   6.698
   51    H    LYS   8           H        LYS   8 -21.897  -2.933   5.535
   52    HA   LYS   8           HA       LYS   8 -20.007  -4.289   5.121
   53   1HB   LYS   8          1HB       LYS   8 -21.978  -6.087   4.770
   54   2HB   LYS   8          2HB       LYS   8 -21.402  -5.977   3.107
   55   1HG   LYS   8          2HG       LYS   8 -19.962  -7.601   3.890
   56   2HG   LYS   8          1HG       LYS   8 -19.027  -6.166   4.311
   57   1HD   LYS   8          1HD       LYS   8 -21.043  -7.248   6.257
   58   2HD   LYS   8          2HD       LYS   8 -19.451  -7.998   6.140
   59   1HE   LYS   8          1HE       LYS   8 -18.480  -5.647   6.390
   60   2HE   LYS   8          2HE       LYS   8 -20.103  -5.132   6.850
   61   1HZ   LYS   8          1HZ       LYS   8 -20.077  -6.796   8.615
   62   2HZ   LYS   8          2HZ       LYS   8 -18.496  -7.244   8.184
   63   3HZ   LYS   8          3HZ       LYS   8 -18.804  -5.688   8.793
   64    H    GLU   9           H        GLU   9 -21.766  -4.499   2.012
   65    HA   GLU   9           HA       GLU   9 -19.403  -3.572   0.582
   66   1HB   GLU   9          1HB       GLU   9 -21.522  -5.134  -0.113
   67   2HB   GLU   9          2HB       GLU   9 -22.002  -3.596  -0.831
   68   1HG   GLU   9          1HG       GLU   9 -19.216  -3.993  -1.348
   69   2HG   GLU   9          2HG       GLU   9 -20.078  -5.462  -1.807
   70    H    ASP  10           H        ASP  10 -19.028  -1.550  -0.257
   71    HA   ASP  10           HA       ASP  10 -20.817   0.461  -0.912
   72   1HB   ASP  10          1HB       ASP  10 -20.830   0.061   1.911
   73   2HB   ASP  10          2HB       ASP  10 -20.047   1.610   1.594
   74    HA   PRO  11           HA       PRO  11 -16.580   2.461  -0.048
   75   1HB   PRO  11          1HB       PRO  11 -14.815   1.115   1.566
   76   2HB   PRO  11          2HB       PRO  11 -16.018   2.260   2.184
   77   1HG   PRO  11          2HG       PRO  11 -16.014  -0.717   2.332
   78   2HG   PRO  11          1HG       PRO  11 -16.792   0.457   3.405
   79   1HD   PRO  11          1HD       PRO  11 -18.075  -1.060   1.379
   80   2HD   PRO  11          2HD       PRO  11 -18.762   0.325   2.255
   81    H    VAL  12           H        VAL  12 -14.010   1.632  -0.313
   82    HA   VAL  12           HA       VAL  12 -14.030   0.108  -2.781
   83    HB   VAL  12           HB       VAL  12 -11.593   0.711  -1.092
   84   1HG1  VAL  12          1HG1      VAL  12 -12.139   0.321  -4.044
   85   2HG1  VAL  12          2HG1      VAL  12 -10.622   0.981  -3.432
   86   3HG1  VAL  12          3HG1      VAL  12 -11.109  -0.658  -3.000
   87   1HG2  VAL  12          1HG2      VAL  12 -13.341   2.543  -2.708
   88   2HG2  VAL  12          2HG2      VAL  12 -12.528   2.848  -1.173
   89   3HG2  VAL  12          3HG2      VAL  12 -11.600   2.824  -2.673
   90    H    GLU  13           H        GLU  13 -12.674  -1.920  -3.029
   91    HA   GLU  13           HA       GLU  13 -12.824  -3.586  -0.546
   92   1HB   GLU  13          1HB       GLU  13 -13.836  -4.078  -3.295
   93   2HB   GLU  13          2HB       GLU  13 -13.065  -5.446  -2.492
   94   1HG   GLU  13          1HG       GLU  13 -14.821  -5.729  -1.106
   95   2HG   GLU  13          2HG       GLU  13 -14.846  -4.016  -0.687
   96    H    CYS  14           H        CYS  14 -11.104  -5.024  -0.202
   97    HA   CYS  14           HA       CYS  14  -8.558  -4.309  -1.296
   98   1HB   CYS  14          1HB       CYS  14  -8.806  -5.348   0.924
   99   2HB   CYS  14          2HB       CYS  14  -9.411  -6.824   0.174
  100    HA   PRO  15           HA       PRO  15  -9.144  -6.739  -5.032
  101   1HB   PRO  15          1HB       PRO  15  -6.918  -5.744  -6.302
  102   2HB   PRO  15          2HB       PRO  15  -8.471  -4.892  -6.235
  103   1HG   PRO  15          2HG       PRO  15  -5.954  -4.324  -4.744
  104   2HG   PRO  15          1HG       PRO  15  -7.269  -3.223  -5.187
  105   1HD   PRO  15          1HD       PRO  15  -6.847  -4.371  -2.628
  106   2HD   PRO  15          2HD       PRO  15  -8.311  -3.522  -3.170
  107    H    LEU  16           H        LEU  16  -7.167  -7.280  -2.538
  108    HA   LEU  16           HA       LEU  16  -5.376  -9.185  -3.970
  109   1HB   LEU  16          1HB       LEU  16  -5.151  -7.599  -1.455
  110   2HB   LEU  16          2HB       LEU  16  -4.415  -9.200  -1.455
  111    HG   LEU  16           HG       LEU  16  -2.933  -7.244  -2.214
  112   1HD1  LEU  16          1HD1      LEU  16  -2.557  -9.725  -2.638
  113   2HD1  LEU  16          2HD1      LEU  16  -3.275  -9.475  -4.229
  114   3HD1  LEU  16          3HD1      LEU  16  -1.787  -8.636  -3.792
  115   1HD2  LEU  16          1HD2      LEU  16  -5.044  -6.613  -3.814
  116   2HD2  LEU  16          2HD2      LEU  16  -3.385  -6.126  -4.156
  117   3HD2  LEU  16          3HD2      LEU  16  -4.064  -7.554  -4.937
  118    H    CYS  17           H        CYS  17  -7.559  -8.895  -1.166
  119    HA   CYS  17           HA       CYS  17  -7.861 -11.874  -1.243
  120   1HB   CYS  17          1HB       CYS  17  -8.176 -11.878   1.142
  121   2HB   CYS  17          2HB       CYS  17  -6.722 -10.934   0.827
  122    H    MET  18           H        MET  18  -9.363  -8.783  -1.297
  123    HA   MET  18           HA       MET  18 -11.548  -8.258  -1.970
  124   1HB   MET  18          1HB       MET  18 -11.429 -10.882  -2.701
  125   2HB   MET  18          2HB       MET  18 -12.683 -10.941  -1.462
  126   1HG   MET  18          1HG       MET  18 -12.824  -8.750  -3.490
  127   2HG   MET  18          2HG       MET  18 -13.277 -10.377  -3.997
  128   1HE   MET  18          1HE       MET  18 -15.264 -11.450  -3.671
  129   2HE   MET  18          2HE       MET  18 -16.741 -10.656  -3.107
  130   3HE   MET  18          3HE       MET  18 -15.822  -9.970  -4.443
  131    H    GLU  19           H        GLU  19 -12.496  -7.066  -0.405
  132    HA   GLU  19           HA       GLU  19 -14.146  -8.128   1.631
  133   1HB   GLU  19          1HB       GLU  19 -11.348  -8.232   2.280
  134   2HB   GLU  19          2HB       GLU  19 -12.134  -7.054   3.332
  135   1HG   GLU  19          1HG       GLU  19 -13.290  -8.655   4.445
  136   2HG   GLU  19          2HG       GLU  19 -13.711  -9.501   2.956
  137    HA   PRO  20           HA       PRO  20 -15.195  -3.878   1.827
  138   1HB   PRO  20          1HB       PRO  20 -16.343  -3.756   4.321
  139   2HB   PRO  20          2HB       PRO  20 -17.122  -4.510   2.918
  140   1HG   PRO  20          2HG       PRO  20 -15.826  -5.810   5.273
  141   2HG   PRO  20          1HG       PRO  20 -17.127  -6.413   4.233
  142   1HD   PRO  20          1HD       PRO  20 -14.415  -7.190   4.091
  143   2HD   PRO  20          2HD       PRO  20 -15.648  -7.491   2.848
  144    H    LEU  21           H        LEU  21 -13.616  -2.333   2.033
  145    HA   LEU  21           HA       LEU  21 -11.664  -2.368   4.183
  146   1HB   LEU  21          1HB       LEU  21 -12.316  -0.410   1.974
  147   2HB   LEU  21          2HB       LEU  21 -11.068  -0.084   3.176
  148    HG   LEU  21           HG       LEU  21 -10.989  -2.746   1.843
  149   1HD1  LEU  21          1HD1      LEU  21 -10.942  -0.208   0.398
  150   2HD1  LEU  21          2HD1      LEU  21  -9.446  -1.118   0.192
  151   3HD1  LEU  21          3HD1      LEU  21 -10.991  -1.853  -0.234
  152   1HD2  LEU  21          1HD2      LEU  21  -8.908  -0.671   2.609
  153   2HD2  LEU  21          2HD2      LEU  21  -9.350  -2.088   3.564
  154   3HD2  LEU  21          3HD2      LEU  21  -8.558  -2.290   2.000
  155    H    GLU  22           H        GLU  22 -11.413   0.251   4.971
  156    HA   GLU  22           HA       GLU  22 -14.043   1.028   6.123
  157   1HB   GLU  22          1HB       GLU  22 -11.559   0.240   7.613
  158   2HB   GLU  22          2HB       GLU  22 -12.598   1.496   8.288
  159   1HG   GLU  22          1HG       GLU  22 -13.564  -1.249   7.435
  160   2HG   GLU  22          2HG       GLU  22 -13.192  -0.795   9.099
  161    H    ILE  23           H        ILE  23 -13.597   3.233   7.408
  162    HA   ILE  23           HA       ILE  23 -12.649   5.111   5.442
  163    HB   ILE  23           HB       ILE  23 -13.484   5.355   8.334
  164   1HG1  ILE  23          1HG1      ILE  23 -15.128   5.001   6.400
  165   2HG1  ILE  23          2HG1      ILE  23 -15.425   6.407   7.422
  166   1HG2  ILE  23          1HG2      ILE  23 -12.024   7.298   6.631
  167   2HG2  ILE  23          2HG2      ILE  23 -13.433   7.930   7.485
  168   3HG2  ILE  23          3HG2      ILE  23 -12.113   7.185   8.389
  169   1HD1  ILE  23          1HD1      ILE  23 -13.861   6.509   4.827
  170   2HD1  ILE  23          2HD1      ILE  23 -15.578   6.898   4.958
  171   3HD1  ILE  23          3HD1      ILE  23 -14.383   7.880   5.806
  172    H    ASP  24           H        ASP  24 -11.301   4.042   8.576
  173    HA   ASP  24           HA       ASP  24  -8.851   5.587   8.131
  174   1HB   ASP  24          1HB       ASP  24 -10.135   4.343  10.354
  175   2HB   ASP  24          2HB       ASP  24  -8.522   3.645  10.204
  176    H    ASP  25           H        ASP  25  -9.828   3.009   6.517
  177    HA   ASP  25           HA       ASP  25  -7.144   1.684   6.614
  178   1HB   ASP  25          1HB       ASP  25  -9.848   0.505   5.919
  179   2HB   ASP  25          2HB       ASP  25  -8.316  -0.349   5.735
  180    H    ILE  26           H        ILE  26  -9.495   3.314   4.681
  181    HA   ILE  26           HA       ILE  26  -8.708   2.376   2.090
  182    HB   ILE  26           HB       ILE  26 -10.007   4.917   3.083
  183   1HG1  ILE  26          1HG1      ILE  26 -11.067   2.785   1.218
  184   2HG1  ILE  26          2HG1      ILE  26 -11.201   2.650   2.973
  185   1HG2  ILE  26          1HG2      ILE  26  -8.637   5.461   1.077
  186   2HG2  ILE  26          2HG2      ILE  26  -9.459   4.177   0.192
  187   3HG2  ILE  26          3HG2      ILE  26 -10.365   5.581   0.755
  188   1HD1  ILE  26          1HD1      ILE  26 -12.025   5.282   2.227
  189   2HD1  ILE  26          2HD1      ILE  26 -12.868   4.134   1.187
  190   3HD1  ILE  26          3HD1      ILE  26 -12.999   3.998   2.941
  191    H    ASN  27           H        ASN  27  -8.002   5.626   3.393
  192    HA   ASN  27           HA       ASN  27  -5.950   6.324   1.661
  193   1HB   ASN  27          1HB       ASN  27  -5.005   7.572   3.779
  194   2HB   ASN  27          2HB       ASN  27  -6.570   8.038   3.112
  195   2HD2  ASN  27          2HD2      ASN  27  -5.103   5.956   5.648
  196   1HD2  ASN  27          1HD2      ASN  27  -6.448   6.005   6.681
  197    H    PHE  28           H        PHE  28  -5.816   3.975   4.237
  198    HA   PHE  28           HA       PHE  28  -2.911   3.929   4.409
  199   1HB   PHE  28          1HB       PHE  28  -4.184   3.150   6.311
  200   2HB   PHE  28          2HB       PHE  28  -5.033   1.966   5.317
  201    HD1  PHE  28           HD1      PHE  28  -1.530   2.981   6.209
  202    HD2  PHE  28           HD2      PHE  28  -4.233  -0.223   5.273
  203    HE1  PHE  28           HE1      PHE  28   0.277   1.335   6.622
  204    HE2  PHE  28           HE2      PHE  28  -2.426  -1.870   5.682
  205    HZ   PHE  28           HZ       PHE  28  -0.170  -1.091   6.359
  206    H    PHE  29           H        PHE  29  -1.836   3.396   2.538
  207    HA   PHE  29           HA       PHE  29  -2.605   0.809   1.253
  208   1HB   PHE  29          1HB       PHE  29  -1.562   2.013  -0.869
  209   2HB   PHE  29          2HB       PHE  29  -3.259   2.242  -0.453
  210    HD1  PHE  29           HD1      PHE  29   0.108   3.691   0.409
  211    HD2  PHE  29           HD2      PHE  29  -4.062   4.410  -0.340
  212    HE1  PHE  29           HE1      PHE  29   0.479   6.129   0.674
  213    HE2  PHE  29           HE2      PHE  29  -3.691   6.846  -0.075
  214    HZ   PHE  29           HZ       PHE  29  -1.419   7.707   0.431
  215    HA   PRO  30           HA       PRO  30   1.657  -0.087   1.887
  216   1HB   PRO  30          1HB       PRO  30   1.803  -2.289   0.251
  217   2HB   PRO  30          2HB       PRO  30   1.040  -2.310   1.849
  218   1HG   PRO  30          2HG       PRO  30  -0.242  -2.340  -0.838
  219   2HG   PRO  30          1HG       PRO  30  -0.860  -2.942   0.709
  220   1HD   PRO  30          1HD       PRO  30  -1.585  -0.498  -0.547
  221   2HD   PRO  30          2HD       PRO  30  -1.974  -0.983   1.118
  222    H    CYS  31           H        CYS  31   0.462   1.345  -0.828
  223    HA   CYS  31           HA       CYS  31   3.162   1.675  -1.968
  224   1HB   CYS  31          1HB       CYS  31   2.098  -0.344  -3.094
  225   2HB   CYS  31          2HB       CYS  31   0.903   0.769  -3.762
  226    H    THR  32           H        THR  32   3.145   3.408  -3.680
  227    HA   THR  32           HA       THR  32   1.229   5.519  -2.914
  228    HB   THR  32           HB       THR  32   2.758   6.849  -4.563
  229    HG1  THR  32           HG1      THR  32   4.737   5.884  -4.894
  230   1HG2  THR  32          1HG2      THR  32   3.628   5.706  -1.904
  231   2HG2  THR  32          2HG2      THR  32   4.543   6.961  -2.741
  232   3HG2  THR  32          3HG2      THR  32   2.888   7.276  -2.219
  233    H    CYS  33           H        CYS  33   2.099   3.582  -5.761
  234    HA   CYS  33           HA       CYS  33   0.827   4.918  -7.819
  235   1HB   CYS  33          2HB       CYS  33   0.478   2.810  -8.907
  236   2HB   CYS  33          1HB       CYS  33   1.944   2.637  -7.944
  237    H    GLY  34           H        GLY  34  -0.734   3.145  -5.179
  238   1HA   GLY  34          2HA       GLY  34  -3.345   4.228  -6.166
  239   2HA   GLY  34          1HA       GLY  34  -2.925   4.145  -4.454
  240    H    TYR  35           H        TYR  35  -1.610   1.407  -5.198
  241    HA   TYR  35           HA       TYR  35  -4.018  -0.217  -5.722
  242   1HB   TYR  35          1HB       TYR  35  -1.476  -0.646  -6.442
  243   2HB   TYR  35          2HB       TYR  35  -1.435  -1.460  -4.877
  244    HD1  TYR  35           HD1      TYR  35  -3.863  -1.152  -7.733
  245    HD2  TYR  35           HD2      TYR  35  -1.854  -3.745  -4.960
  246    HE1  TYR  35           HE1      TYR  35  -5.027  -3.107  -8.718
  247    HE2  TYR  35           HE2      TYR  35  -3.017  -5.702  -5.946
  248    HH   TYR  35           HH       TYR  35  -5.688  -5.492  -7.836
  249    H    GLN  36           H        GLN  36  -4.335   1.276  -3.438
  250    HA   GLN  36           HA       GLN  36  -3.492   0.296  -0.972
  251   1HB   GLN  36          1HB       GLN  36  -4.934   2.284  -1.271
  252   2HB   GLN  36          2HB       GLN  36  -6.284   1.232  -1.689
  253   1HG   GLN  36          1HG       GLN  36  -5.409   0.142   0.689
  254   2HG   GLN  36          2HG       GLN  36  -5.165   1.869   0.948
  255   2HE2  GLN  36          2HE2      GLN  36  -7.279   2.993  -0.487
  256   1HE2  GLN  36          1HE2      GLN  36  -8.761   2.470   0.158
  257    H    ILE  37           H        ILE  37  -4.238  -1.317   0.449
  258    HA   ILE  37           HA       ILE  37  -6.252  -3.242  -0.579
  259    HB   ILE  37           HB       ILE  37  -4.721  -5.132   0.131
  260   1HG1  ILE  37          1HG1      ILE  37  -2.280  -3.630  -0.254
  261   2HG1  ILE  37          2HG1      ILE  37  -3.186  -2.973   1.111
  262   1HG2  ILE  37          1HG2      ILE  37  -4.923  -3.811  -2.265
  263   2HG2  ILE  37          2HG2      ILE  37  -3.184  -3.754  -1.979
  264   3HG2  ILE  37          3HG2      ILE  37  -4.020  -5.306  -2.026
  265   1HD1  ILE  37          1HD1      ILE  37  -3.430  -5.338   1.969
  266   2HD1  ILE  37          2HD1      ILE  37  -2.306  -5.843   0.709
  267   3HD1  ILE  37          3HD1      ILE  37  -1.775  -4.731   1.970
  268    H    CYS  38           H        CYS  38  -5.999  -5.117   1.500
  269    HA   CYS  38           HA       CYS  38  -7.001  -3.492   3.751
  270   1HB   CYS  38          1HB       CYS  38  -8.014  -5.474   4.566
  271   2HB   CYS  38          2HB       CYS  38  -8.188  -5.579   2.816
  272    H    ARG  39           H        ARG  39  -6.323  -4.462   6.024
  273    HA   ARG  39           HA       ARG  39  -3.412  -4.211   6.133
  274   1HB   ARG  39          1HB       ARG  39  -5.592  -3.830   7.935
  275   2HB   ARG  39          2HB       ARG  39  -4.493  -5.004   8.659
  276   1HG   ARG  39          1HG       ARG  39  -2.877  -3.453   8.993
  277   2HG   ARG  39          2HG       ARG  39  -3.099  -2.758   7.387
  278   1HD   ARG  39          1HD       ARG  39  -4.275  -1.049   8.254
  279   2HD   ARG  39          2HD       ARG  39  -5.415  -2.176   8.988
  280    HE   ARG  39           HE       ARG  39  -4.048  -2.159  11.010
  281   1HH1  ARG  39          1HH1      ARG  39  -1.689  -1.217   9.033
  282   2HH1  ARG  39          2HH1      ARG  39  -1.302   0.282   9.811
  283   1HH2  ARG  39          1HH2      ARG  39  -4.151   0.300  11.786
  284   2HH2  ARG  39          2HH2      ARG  39  -2.694   1.140  11.369
  285    H    PHE  40           H        PHE  40  -5.669  -6.822   6.021
  286    HA   PHE  40           HA       PHE  40  -3.925  -8.772   7.318
  287   1HB   PHE  40          1HB       PHE  40  -6.604  -8.714   6.164
  288   2HB   PHE  40          2HB       PHE  40  -5.724 -10.173   5.708
  289    HD1  PHE  40           HD1      PHE  40  -4.324 -11.269   7.714
  290    HD2  PHE  40           HD2      PHE  40  -7.761  -8.735   8.188
  291    HE1  PHE  40           HE1      PHE  40  -4.709 -12.215   9.972
  292    HE2  PHE  40           HE2      PHE  40  -8.145  -9.682  10.447
  293    HZ   PHE  40           HZ       PHE  40  -6.620 -11.421  11.340
  294    H    CYS  41           H        CYS  41  -4.183  -7.394   4.167
  295    HA   CYS  41           HA       CYS  41  -2.758  -9.639   2.876
  296   1HB   CYS  41          1HB       CYS  41  -4.065  -7.109   1.918
  297   2HB   CYS  41          2HB       CYS  41  -2.869  -7.904   0.897
  298    H    TRP  42           H        TRP  42  -2.110  -6.549   4.307
  299    HA   TRP  42           HA       TRP  42   0.415  -6.096   2.936
  300   1HB   TRP  42          1HB       TRP  42  -0.745  -4.183   3.832
  301   2HB   TRP  42          2HB       TRP  42  -0.803  -4.906   5.439
  302    HD1  TRP  42           HD1      TRP  42   1.911  -3.894   2.867
  303    HE1  TRP  42           HE1      TRP  42   3.935  -2.967   4.167
  304    HE3  TRP  42           HE3      TRP  42   0.257  -4.543   7.655
  305    HZ2  TRP  42           HZ2      TRP  42   4.744  -2.553   6.879
  306    HZ3  TRP  42           HZ3      TRP  42   1.674  -3.875   9.576
  307    HH2  TRP  42           HH2      TRP  42   3.913  -2.882   9.195
  308    H    HIS  43           H        HIS  43  -0.263  -6.828   6.385
  309    HA   HIS  43           HA       HIS  43   2.362  -7.404   7.155
  310   1HB   HIS  43          1HB       HIS  43   1.459  -8.516   9.045
  311   2HB   HIS  43          2HB       HIS  43   0.234  -7.329   8.603
  312    HD1  HIS  43           HD1      HIS  43   1.022 -11.010   8.024
  313    HD2  HIS  43           HD2      HIS  43  -2.258  -8.440   8.102
  314    HE1  HIS  43           HE1      HIS  43  -1.034 -12.467   7.772
  315    H    ARG  44           H        ARG  44   0.316  -9.253   5.064
  316    HA   ARG  44           HA       ARG  44   1.978 -11.682   5.397
  317   1HB   ARG  44          1HB       ARG  44  -0.495 -11.885   5.167
  318   2HB   ARG  44          2HB       ARG  44  -0.376 -11.184   3.552
  319   1HG   ARG  44          1HG       ARG  44   1.446 -13.120   3.261
  320   2HG   ARG  44          2HG       ARG  44   0.465 -13.881   4.515
  321   1HD   ARG  44          1HD       ARG  44  -1.036 -14.468   2.947
  322   2HD   ARG  44          2HD       ARG  44  -1.338 -12.759   2.632
  323    HE   ARG  44           HE       ARG  44   0.955 -13.266   1.189
  324   1HH1  ARG  44          1HH1      ARG  44  -2.099 -13.045   0.328
  325   2HH1  ARG  44          2HH1      ARG  44  -2.150 -14.354  -0.805
  326   1HH2  ARG  44          1HH2      ARG  44   0.887 -15.693   0.200
  327   2HH2  ARG  44          2HH2      ARG  44  -0.460 -15.854  -0.877
  328    H    ILE  45           H        ILE  45   1.426  -9.062   3.102
  329    HA   ILE  45           HA       ILE  45   2.953 -10.302   0.961
  330    HB   ILE  45           HB       ILE  45   1.954  -7.495   1.465
  331   1HG1  ILE  45          1HG1      ILE  45   1.327  -9.436  -0.774
  332   2HG1  ILE  45          2HG1      ILE  45   0.424  -9.411   0.741
  333   1HG2  ILE  45          1HG2      ILE  45   4.045  -8.428  -0.385
  334   2HG2  ILE  45          2HG2      ILE  45   2.731  -7.559  -1.180
  335   3HG2  ILE  45          3HG2      ILE  45   3.641  -6.786   0.119
  336   1HD1  ILE  45          1HD1      ILE  45   0.304  -6.798   0.188
  337   2HD1  ILE  45          2HD1      ILE  45   0.491  -7.395  -1.460
  338   3HD1  ILE  45          3HD1      ILE  45  -0.869  -7.937  -0.476
  339    H    ARG  46           H        ARG  46   3.656  -7.535   3.136
  340    HA   ARG  46           HA       ARG  46   6.418  -7.367   2.367
  341   1HB   ARG  46          1HB       ARG  46   5.114  -5.541   3.502
  342   2HB   ARG  46          2HB       ARG  46   5.181  -6.486   4.990
  343   1HG   ARG  46          1HG       ARG  46   7.251  -5.722   5.420
  344   2HG   ARG  46          2HG       ARG  46   7.821  -6.325   3.863
  345   1HD   ARG  46          1HD       ARG  46   6.842  -4.249   2.802
  346   2HD   ARG  46          2HD       ARG  46   6.552  -3.635   4.431
  347    HE   ARG  46           HE       ARG  46   9.056  -3.809   4.767
  348   1HH1  ARG  46          1HH1      ARG  46  10.286  -5.100   2.649
  349   2HH1  ARG  46          2HH1      ARG  46  10.559  -3.900   1.430
  350   1HH2  ARG  46          1HH2      ARG  46   8.270  -1.656   2.752
  351   2HH2  ARG  46          2HH2      ARG  46   9.418  -1.949   1.488
  352    H    THR  47           H        THR  47   4.782  -9.705   4.166
  353    HA   THR  47           HA       THR  47   7.328 -10.510   5.517
  354    HB   THR  47           HB       THR  47   4.524 -11.308   6.339
  355    HG1  THR  47           HG1      THR  47   5.064  -9.003   6.496
  356   1HG2  THR  47          1HG2      THR  47   7.294 -11.705   7.417
  357   2HG2  THR  47          2HG2      THR  47   5.939 -11.610   8.543
  358   3HG2  THR  47          3HG2      THR  47   5.967 -12.860   7.299
  359    H    ASP  48           H        ASP  48   4.299 -12.237   4.734
  360    HA   ASP  48           HA       ASP  48   5.514 -14.707   4.143
  361   1HB   ASP  48          1HB       ASP  48   2.959 -13.903   4.281
  362   2HB   ASP  48          2HB       ASP  48   3.136 -13.911   2.526
  363    H    GLU  49           H        GLU  49   5.265 -11.816   2.190
  364    HA   GLU  49           HA       GLU  49   6.578 -13.304  -0.050
  365   1HB   GLU  49          1HB       GLU  49   4.196 -11.980  -0.202
  366   2HB   GLU  49          2HB       GLU  49   5.318 -10.697  -0.656
  367   1HG   GLU  49          2HG       GLU  49   4.928 -11.702  -2.721
  368   2HG   GLU  49          1HG       GLU  49   6.372 -12.563  -2.188
  369    H    ASN  50           H        ASN  50   7.176 -10.751  -1.404
  370    HA   ASN  50           HA       ASN  50   9.646 -10.132   0.072
  371   1HB   ASN  50          1HB       ASN  50   8.977 -10.236  -2.620
  372   2HB   ASN  50          2HB       ASN  50   9.086  -8.505  -2.297
  373   2HD2  ASN  50          2HD2      ASN  50  11.104  -8.724  -3.738
  374   1HD2  ASN  50          1HD2      ASN  50  12.558  -9.178  -2.988
  375    H    GLY  51           H        GLY  51   6.740  -8.379  -1.040
  376   1HA   GLY  51          2HA       GLY  51   7.446  -6.241   0.933
  377   2HA   GLY  51          1HA       GLY  51   5.785  -6.740   0.607
  378    H    LEU  52           H        LEU  52   6.514  -6.996  -2.331
  379    HA   LEU  52           HA       LEU  52   6.902  -4.134  -3.030
  380   1HB   LEU  52          2HB       LEU  52   6.705  -6.504  -4.906
  381   2HB   LEU  52          1HB       LEU  52   7.314  -4.891  -5.278
  382    HG   LEU  52           HG       LEU  52   8.565  -6.915  -3.401
  383   1HD1  LEU  52          1HD1      LEU  52   9.285  -5.763  -6.102
  384   2HD1  LEU  52          2HD1      LEU  52  10.492  -6.524  -5.064
  385   3HD1  LEU  52          3HD1      LEU  52   9.115  -7.460  -5.648
  386   1HD2  LEU  52          1HD2      LEU  52   8.759  -4.605  -2.520
  387   2HD2  LEU  52          2HD2      LEU  52  10.322  -5.214  -3.066
  388   3HD2  LEU  52          3HD2      LEU  52   9.419  -4.078  -4.068
  389    H    CYS  53           H        CYS  53   5.512  -3.631  -5.162
  390    HA   CYS  53           HA       CYS  53   2.705  -3.902  -4.301
  391   1HB   CYS  53          1HB       CYS  53   3.792  -1.734  -5.146
  392   2HB   CYS  53          2HB       CYS  53   3.703  -2.455  -6.753
  393    HA   PRO  54           HA       PRO  54   2.165  -7.196  -7.269
  394   1HB   PRO  54          1HB       PRO  54  -0.461  -7.678  -6.634
  395   2HB   PRO  54          2HB       PRO  54   0.897  -8.261  -5.658
  396   1HG   PRO  54          2HG       PRO  54  -1.000  -6.038  -5.087
  397   2HG   PRO  54          1HG       PRO  54  -0.058  -7.026  -3.959
  398   1HD   PRO  54          1HD       PRO  54   0.562  -4.381  -4.795
  399   2HD   PRO  54          2HD       PRO  54   1.627  -5.477  -3.888
  400    H    ALA  55           H        ALA  55   1.149  -4.087  -7.496
  401    HA   ALA  55           HA       ALA  55  -0.524  -4.657  -9.911
  402   1HB   ALA  55          1HB       ALA  55  -0.923  -2.785  -7.646
  403   2HB   ALA  55          3HB       ALA  55  -1.268  -2.132  -9.248
  404   3HB   ALA  55          2HB       ALA  55  -2.115  -3.572  -8.681
  405    H    CYS  56           H        CYS  56   1.933  -2.533  -8.459
  406    HA   CYS  56           HA       CYS  56   2.546  -1.616 -11.238
  407   1HB   CYS  56          1HB       CYS  56   2.990   0.556 -10.482
  408   2HB   CYS  56          2HB       CYS  56   1.592   0.093  -9.518
  409    H    ARG  57           H        ARG  57   3.709  -3.317  -8.552
  410    HA   ARG  57           HA       ARG  57   5.818  -4.308  -8.192
  411   1HB   ARG  57          2HB       ARG  57   6.713  -2.969 -10.754
  412   2HB   ARG  57          1HB       ARG  57   7.367  -4.427 -10.008
  413   1HG   ARG  57          1HG       ARG  57   4.903  -5.320 -10.296
  414   2HG   ARG  57          2HG       ARG  57   4.808  -4.065 -11.531
  415   1HD   ARG  57          1HD       ARG  57   7.268  -5.687 -11.637
  416   2HD   ARG  57          2HD       ARG  57   5.788  -6.586 -11.970
  417    HE   ARG  57           HE       ARG  57   5.346  -4.628 -13.652
  418   1HH1  ARG  57          1HH1      ARG  57   7.531  -3.021 -13.900
  419   2HH1  ARG  57          2HH1      ARG  57   8.690  -3.861 -14.876
  420   1HH2  ARG  57          1HH2      ARG  57   7.224  -6.969 -14.411
  421   2HH2  ARG  57          2HH2      ARG  57   8.516  -6.097 -15.165
  422    H    LYS  58           H        LYS  58   5.534  -2.333  -6.595
  423    HA   LYS  58           HA       LYS  58   8.054  -0.761  -6.778
  424   1HB   LYS  58          1HB       LYS  58   5.263   0.297  -6.308
  425   2HB   LYS  58          2HB       LYS  58   6.679   1.157  -5.703
  426   1HG   LYS  58          1HG       LYS  58   6.651   0.270  -8.565
  427   2HG   LYS  58          2HG       LYS  58   5.714   1.694  -8.112
  428   1HD   LYS  58          1HD       LYS  58   8.599   1.383  -7.282
  429   2HD   LYS  58          2HD       LYS  58   8.162   2.073  -8.845
  430   1HE   LYS  58          1HE       LYS  58   7.210   3.961  -7.905
  431   2HE   LYS  58          2HE       LYS  58   6.791   3.131  -6.406
  432   1HZ   LYS  58          1HZ       LYS  58   9.251   3.001  -5.986
  433   2HZ   LYS  58          2HZ       LYS  58   9.455   4.093  -7.271
  434   3HZ   LYS  58          3HZ       LYS  58   8.573   4.556  -5.898
  435    HA   PRO  59           HA       PRO  59   8.394  -2.144  -2.643
  436   1HB   PRO  59          1HB       PRO  59  10.155  -0.249  -1.689
  437   2HB   PRO  59          2HB       PRO  59  10.630  -1.586  -2.750
  438   1HG   PRO  59          2HG       PRO  59  10.274   1.304  -3.414
  439   2HG   PRO  59          1HG       PRO  59  11.323   0.097  -4.179
  440   1HD   PRO  59          1HD       PRO  59   8.853   1.007  -5.200
  441   2HD   PRO  59          2HD       PRO  59   9.721  -0.448  -5.734
  442    H    TYR  60           H        TYR  60   6.896  -1.876  -1.049
  443    HA   TYR  60           HA       TYR  60   5.104   0.205  -0.743
  444   1HB   TYR  60          1HB       TYR  60   6.327  -1.509   1.437
  445   2HB   TYR  60          2HB       TYR  60   4.895  -0.507   1.656
  446    HD1  TYR  60           HD1      TYR  60   4.891  -1.597  -1.683
  447    HD2  TYR  60           HD2      TYR  60   4.137  -3.013   2.302
  448    HE1  TYR  60           HE1      TYR  60   3.476  -3.411  -2.596
  449    HE2  TYR  60           HE2      TYR  60   2.722  -4.829   1.387
  450    HH   TYR  60           HH       TYR  60   2.003  -5.030  -2.081
  451    HA   PRO  61           HA       PRO  61   7.300   3.626   0.906
  452   1HB   PRO  61          1HB       PRO  61   5.254   4.852   2.269
  453   2HB   PRO  61          2HB       PRO  61   5.403   4.872   0.504
  454   1HG   PRO  61          2HG       PRO  61   3.525   3.308   2.212
  455   2HG   PRO  61          1HG       PRO  61   3.331   3.849   0.537
  456   1HD   PRO  61          1HD       PRO  61   4.021   1.233   1.366
  457   2HD   PRO  61          2HD       PRO  61   4.142   1.872  -0.288
  458    H    GLU  62           H        GLU  62   7.990   4.614   2.990
  459    HA   GLU  62           HA       GLU  62   7.520   2.806   5.328
  460   1HB   GLU  62          1HB       GLU  62  10.081   4.033   4.306
  461   2HB   GLU  62          2HB       GLU  62   9.918   3.512   5.983
  462   1HG   GLU  62          1HG       GLU  62   8.952   1.520   4.056
  463   2HG   GLU  62          2HG       GLU  62  10.668   1.885   3.877
  464    H    ASP  63           H        ASP  63   7.736   6.062   4.116
  465    HA   ASP  63           HA       ASP  63   7.176   8.099   5.144
  466   1HB   ASP  63          1HB       ASP  63   5.297   6.625   6.075
  467   2HB   ASP  63          2HB       ASP  63   6.287   6.458   7.527
  468    HA   PRO  64           HA       PRO  64  11.067   7.791   7.562
  469   1HB   PRO  64          1HB       PRO  64  12.383   9.701   6.086
  470   2HB   PRO  64          2HB       PRO  64  12.370   7.978   5.671
  471   1HG   PRO  64          2HG       PRO  64  10.892  10.229   4.387
  472   2HG   PRO  64          1HG       PRO  64  11.415   8.686   3.690
  473   1HD   PRO  64          1HD       PRO  64   8.788   9.317   4.538
  474   2HD   PRO  64          2HD       PRO  64   9.401   7.693   4.154
  475    H    ALA  65           H        ALA  65   9.328  10.654   6.353
  476    HA   ALA  65           HA       ALA  65   8.918  12.732   7.370
  477   1HB   ALA  65          1HB       ALA  65   7.751  12.351   9.262
  478   2HB   ALA  65          3HB       ALA  65   8.320  10.682   9.209
  479   3HB   ALA  65          2HB       ALA  65   9.219  11.890  10.126
  480    H    VAL  66           H        VAL  66  11.488  12.625   6.563
  481    HA   VAL  66           HA       VAL  66  12.910  14.012   8.777
  482    HB   VAL  66           HB       VAL  66  14.470  12.165   6.998
  483   1HG1  VAL  66          1HG1      VAL  66  14.738  13.131   9.863
  484   2HG1  VAL  66          2HG1      VAL  66  15.871  12.042   9.060
  485   3HG1  VAL  66          3HG1      VAL  66  15.672  13.695   8.477
  486   1HG2  VAL  66          1HG2      VAL  66  12.687  11.390   9.302
  487   2HG2  VAL  66          2HG2      VAL  66  12.900  10.581   7.749
  488   3HG2  VAL  66          3HG2      VAL  66  14.164  10.485   8.976
  489    H    TYR  67           H        TYR  67  12.760  13.240   5.309
  490    HA   TYR  67           HA       TYR  67  13.252  14.580   3.446
  491   1HB   TYR  67          1HB       TYR  67  12.347  16.372   5.513
  492   2HB   TYR  67          2HB       TYR  67  13.633  17.147   4.587
  493    HD1  TYR  67           HD1      TYR  67  13.464  16.717   1.941
  494    HD2  TYR  67           HD2      TYR  67  10.173  16.568   4.699
  495    HE1  TYR  67           HE1      TYR  67  11.882  17.123   0.076
  496    HE2  TYR  67           HE2      TYR  67   8.592  16.974   2.834
  497    HH   TYR  67           HH       TYR  67   8.808  16.473   0.102
  498    H    LYS  68           H        LYS  68  15.410  13.311   4.900
  499    HA   LYS  68           HA       LYS  68  17.625  14.841   3.806
  500   1HB   LYS  68          1HB       LYS  68  16.858  15.417   6.474
  501   2HB   LYS  68          2HB       LYS  68  18.342  14.468   6.564
  502   1HG   LYS  68          1HG       LYS  68  19.501  15.998   5.109
  503   2HG   LYS  68          2HG       LYS  68  18.009  16.865   4.746
  504   1HD   LYS  68          1HD       LYS  68  18.166  18.112   6.620
  505   2HD   LYS  68          2HD       LYS  68  18.507  16.696   7.617
  506   1HE   LYS  68          1HE       LYS  68  20.695  17.524   5.803
  507   2HE   LYS  68          2HE       LYS  68  20.332  18.648   7.112
  508   1HZ   LYS  68          1HZ       LYS  68  20.285  16.369   8.443
  509   2HZ   LYS  68          2HZ       LYS  68  21.385  15.935   7.227
  510   3HZ   LYS  68          3HZ       LYS  68  21.708  17.271   8.226
  511    HA   PRO  69           HA       PRO  69  18.257  10.284   4.362
  512   1HB   PRO  69          1HB       PRO  69  18.407   9.707   1.679
  513   2HB   PRO  69          2HB       PRO  69  16.894   9.677   2.601
  514   1HG   PRO  69          2HG       PRO  69  17.855  11.706   0.638
  515   2HG   PRO  69          1HG       PRO  69  16.197  11.280   1.089
  516   1HD   PRO  69          1HD       PRO  69  17.629  13.549   1.992
  517   2HD   PRO  69          2HD       PRO  69  16.112  12.931   2.678
  518    H    LEU  70           H        LEU  70  20.226   9.042   3.456
  519    HA   LEU  70           HA       LEU  70  22.538   8.955   3.052
  520   1HB   LEU  70          1HB       LEU  70  21.447  10.572   1.063
  521   2HB   LEU  70          2HB       LEU  70  22.776  11.536   1.707
  522    HG   LEU  70           HG       LEU  70  23.762   8.901   1.528
  523   1HD1  LEU  70          1HD1      LEU  70  21.791   8.489   0.018
  524   2HD1  LEU  70          2HD1      LEU  70  22.415   9.742  -1.055
  525   3HD1  LEU  70          3HD1      LEU  70  23.351   8.273  -0.776
  526   1HD2  LEU  70          1HD2      LEU  70  24.349  11.560   0.609
  527   2HD2  LEU  70          2HD2      LEU  70  25.456  10.203   0.812
  528   3HD2  LEU  70          3HD2      LEU  70  24.613  10.431  -0.719
  529    H    SER  71           H        SER  71  21.695  10.071   5.514
  530    HA   SER  71           HA       SER  71  24.064  11.700   6.136
  531   1HB   SER  71          1HB       SER  71  22.555  13.391   7.352
  532   2HB   SER  71          2HB       SER  71  22.629  13.515   5.597
  533    HG   SER  71           HG       SER  71  20.599  12.455   7.245
  534    H    GLN  72           H        GLN  72  24.760  10.200   7.639
  535    HA   GLN  72           HA       GLN  72  23.111   9.955  10.085
  536   1HB   GLN  72          2HB       GLN  72  23.299   7.538  10.175
  537   2HB   GLN  72          1HB       GLN  72  22.566   7.985   8.636
  538   1HG   GLN  72          1HG       GLN  72  25.544   7.558   8.908
  539   2HG   GLN  72          2HG       GLN  72  24.443   6.228   8.558
  540   2HE2  GLN  72          2HE2      GLN  72  22.694   7.102   6.722
  541   1HE2  GLN  72          1HE2      GLN  72  23.460   7.753   5.353
  542    H    GLU  73           H        GLU  73  26.217   9.464   8.456
  543    HA   GLU  73           HA       GLU  73  27.525   9.816  11.120
  544   1HB   GLU  73          1HB       GLU  73  28.355   7.964   8.866
  545   2HB   GLU  73          2HB       GLU  73  29.345   8.308  10.286
  546   1HG   GLU  73          1HG       GLU  73  27.946   7.144  11.718
  547   2HG   GLU  73          2HG       GLU  73  26.520   7.420  10.716
  548    H    GLU  74           H        GLU  74  30.062  10.252  10.506
  549    HA   GLU  74           HA       GLU  74  29.956  12.710   8.875
  550   1HB   GLU  74          1HB       GLU  74  32.183  13.151   9.774
  551   2HB   GLU  74          2HB       GLU  74  31.109  12.681  11.091
  552   1HG   GLU  74          1HG       GLU  74  32.114  10.254  10.184
  553   2HG   GLU  74          2HG       GLU  74  33.504  11.338  10.082
  554    H    LEU  75           H        LEU  75  30.825  12.861   6.836
  555    HA   LEU  75           HA       LEU  75  31.433  10.578   5.297
  556   1HB   LEU  75          1HB       LEU  75  31.248  13.321   4.824
  557   2HB   LEU  75          2HB       LEU  75  32.916  12.928   4.404
  558    HG   LEU  75           HG       LEU  75  31.442  12.645   2.452
  559   1HD1  LEU  75          1HD1      LEU  75  33.276  10.794   3.461
  560   2HD1  LEU  75          2HD1      LEU  75  31.898   9.813   2.964
  561   3HD1  LEU  75          3HD1      LEU  75  32.687  10.878   1.802
  562   1HD2  LEU  75          1HD2      LEU  75  29.458  12.011   4.029
  563   2HD2  LEU  75          2HD2      LEU  75  29.561  11.229   2.451
  564   3HD2  LEU  75          3HD2      LEU  75  30.091  10.370   3.898
  565    H    GLN  76           H        GLN  76  33.953  13.013   5.964
  566    HA   GLN  76           HA       GLN  76  35.740  11.407   7.422
  567   1HB   GLN  76          1HB       GLN  76  35.782   9.809   5.625
  568   2HB   GLN  76          2HB       GLN  76  35.999  11.082   4.422
  569   1HG   GLN  76          1HG       GLN  76  38.208  11.579   5.230
  570   2HG   GLN  76          2HG       GLN  76  37.989  10.542   6.640
  571   2HE2  GLN  76          2HE2      GLN  76  37.224   8.145   5.836
  572   1HE2  GLN  76          1HE2      GLN  76  38.191   7.502   4.598
  573    H    ARG  77           H        ARG  77  35.696  13.560   4.565
  574    HA   ARG  77           HA       ARG  77  38.143  14.881   5.016
  575   1HB   ARG  77          1HB       ARG  77  35.574  16.160   4.032
  576   2HB   ARG  77          2HB       ARG  77  37.214  16.736   3.732
  577   1HG   ARG  77          2HG       ARG  77  37.251  15.459   1.879
  578   2HG   ARG  77          1HG       ARG  77  37.208  14.038   2.924
  579   1HD   ARG  77          1HD       ARG  77  35.105  13.564   2.282
  580   2HD   ARG  77          2HD       ARG  77  34.565  15.185   2.716
  581    HE   ARG  77           HE       ARG  77  35.258  14.269   0.028
  582   1HH1  ARG  77          1HH1      ARG  77  36.779  16.384  -0.546
  583   2HH1  ARG  77          2HH1      ARG  77  35.779  17.797  -0.591
  584   1HH2  ARG  77          1HH2      ARG  77  33.167  16.329   1.152
  585   2HH2  ARG  77          2HH2      ARG  77  33.734  17.765   0.370
  586    H    ILE  78           H        ILE  78  38.655  16.827   6.174
  587    HA   ILE  78           HA       ILE  78  36.674  17.562   8.291
  588    HB   ILE  78           HB       ILE  78  39.680  17.408   8.658
  589   1HG1  ILE  78          1HG1      ILE  78  37.745  15.535   9.974
  590   2HG1  ILE  78          2HG1      ILE  78  38.226  15.214   8.307
  591   1HG2  ILE  78          1HG2      ILE  78  37.408  18.399  10.244
  592   2HG2  ILE  78          2HG2      ILE  78  38.447  17.274  11.121
  593   3HG2  ILE  78          3HG2      ILE  78  39.130  18.738  10.414
  594   1HD1  ILE  78          1HD1      ILE  78  40.655  15.698   9.327
  595   2HD1  ILE  78          2HD1      ILE  78  39.862  15.141  10.801
  596   3HD1  ILE  78          3HD1      ILE  78  39.926  14.092   9.384

  No H/Q in entry =         596
  Start of MODEL   29
    1    H1   MET   1           H1       MET   1 -26.629  -8.503  -2.598
    2    H2   MET   1           H2       MET   1 -27.698  -9.621  -3.300
    3    H3   MET   1           H3       MET   1 -26.468  -8.915  -4.235
    4    HA   MET   1           HA       MET   1 -27.723  -7.179  -4.746
    5   1HB   MET   1          1HB       MET   1 -29.559  -9.161  -3.560
    6   2HB   MET   1          2HB       MET   1 -30.200  -7.518  -3.623
    7   1HG   MET   1          1HG       MET   1 -30.588  -7.750  -5.825
    8   2HG   MET   1          2HG       MET   1 -28.870  -8.038  -6.097
    9   1HE   MET   1          1HE       MET   1 -27.703  -9.891  -5.925
   10   2HE   MET   1          2HE       MET   1 -28.245 -11.123  -4.789
   11   3HE   MET   1          3HE       MET   1 -28.226 -11.475  -6.515
   12    H    SER   2           H        SER   2 -28.514  -5.132  -3.975
   13    HA   SER   2           HA       SER   2 -28.114  -4.740  -1.035
   14   1HB   SER   2          1HB       SER   2 -27.688  -2.729  -3.265
   15   2HB   SER   2          2HB       SER   2 -27.374  -2.465  -1.553
   16    HG   SER   2           HG       SER   2 -26.185  -4.557  -3.048
   17    H    ARG   3           H        ARG   3 -30.564  -5.196  -2.981
   18    HA   ARG   3           HA       ARG   3 -32.778  -4.412  -3.108
   19   1HB   ARG   3          2HB       ARG   3 -32.083  -3.343  -0.355
   20   2HB   ARG   3          1HB       ARG   3 -33.707  -3.631  -0.979
   21   1HG   ARG   3          1HG       ARG   3 -31.909  -5.954  -1.193
   22   2HG   ARG   3          2HG       ARG   3 -32.251  -5.458   0.465
   23   1HD   ARG   3          1HD       ARG   3 -34.648  -5.406  -1.193
   24   2HD   ARG   3          2HD       ARG   3 -33.908  -7.006  -1.163
   25    HE   ARG   3           HE       ARG   3 -34.995  -7.111   0.936
   26   1HH1  ARG   3          1HH1      ARG   3 -35.314  -3.943   0.624
   27   2HH1  ARG   3          2HH1      ARG   3 -34.698  -3.472   2.173
   28   1HH2  ARG   3          1HH2      ARG   3 -33.340  -6.584   2.876
   29   2HH2  ARG   3          2HH2      ARG   3 -33.576  -4.966   3.446
   30    H    SER   4           H        SER   4 -31.103  -2.761  -4.505
   31    HA   SER   4           HA       SER   4 -32.526  -0.259  -4.480
   32   1HB   SER   4          1HB       SER   4 -30.149   0.953  -4.039
   33   2HB   SER   4          2HB       SER   4 -31.327   0.668  -2.763
   34    HG   SER   4           HG       SER   4 -28.897  -0.564  -3.285
   35    HA   PRO   5           HA       PRO   5 -30.775  -0.163  -8.503
   36   1HB   PRO   5          1HB       PRO   5 -30.922   2.533  -9.030
   37   2HB   PRO   5          2HB       PRO   5 -32.333   1.458  -9.021
   38   1HG   PRO   5          2HG       PRO   5 -31.496   3.475  -6.987
   39   2HG   PRO   5          1HG       PRO   5 -33.117   2.866  -7.363
   40   1HD   PRO   5          1HD       PRO   5 -31.520   2.074  -5.167
   41   2HD   PRO   5          2HD       PRO   5 -32.977   1.240  -5.750
   42    H    ASP   6           H        ASP   6 -29.588   2.686  -6.672
   43    HA   ASP   6           HA       ASP   6 -26.921   2.330  -7.911
   44   1HB   ASP   6          1HB       ASP   6 -28.288   4.592  -7.439
   45   2HB   ASP   6          2HB       ASP   6 -27.437   4.471  -5.899
   46    H    ALA   7           H        ALA   7 -25.750   3.663  -5.418
   47    HA   ALA   7           HA       ALA   7 -26.078   1.750  -3.265
   48   1HB   ALA   7          1HB       ALA   7 -23.332   1.606  -4.426
   49   2HB   ALA   7          3HB       ALA   7 -24.602   0.682  -5.227
   50   3HB   ALA   7          2HB       ALA   7 -24.236   0.387  -3.527
   51    H    LYS   8           H        LYS   8 -23.227   3.511  -4.522
   52    HA   LYS   8           HA       LYS   8 -21.834   5.034  -3.374
   53   1HB   LYS   8          1HB       LYS   8 -23.837   6.383  -4.196
   54   2HB   LYS   8          2HB       LYS   8 -24.482   6.252  -2.559
   55   1HG   LYS   8          1HG       LYS   8 -22.193   7.160  -1.783
   56   2HG   LYS   8          2HG       LYS   8 -21.953   7.626  -3.468
   57   1HD   LYS   8          1HD       LYS   8 -24.561   8.380  -2.261
   58   2HD   LYS   8          2HD       LYS   8 -23.145   9.243  -1.659
   59   1HE   LYS   8          1HE       LYS   8 -22.535   9.538  -4.170
   60   2HE   LYS   8          2HE       LYS   8 -24.225   9.129  -4.469
   61   1HZ   LYS   8          1HZ       LYS   8 -24.267  10.963  -2.424
   62   2HZ   LYS   8          2HZ       LYS   8 -23.107  11.560  -3.507
   63   3HZ   LYS   8          3HZ       LYS   8 -24.687  11.241  -4.046
   64    H    GLU   9           H        GLU   9 -21.151   3.458  -1.750
   65    HA   GLU   9           HA       GLU   9 -21.554   4.375   0.940
   66   1HB   GLU   9          1HB       GLU   9 -23.658   2.832   0.141
   67   2HB   GLU   9          2HB       GLU   9 -22.574   1.598   0.782
   68   1HG   GLU   9          2HG       GLU   9 -23.428   2.156   2.805
   69   2HG   GLU   9          1HG       GLU   9 -22.392   3.579   2.689
   70    H    ASP  10           H        ASP  10 -19.299   4.239   1.104
   71    HA   ASP  10           HA       ASP  10 -17.183   3.219   1.255
   72   1HB   ASP  10          1HB       ASP  10 -19.154   1.392   2.521
   73   2HB   ASP  10          2HB       ASP  10 -17.583   0.686   2.143
   74    HA   PRO  11           HA       PRO  11 -17.939   0.852  -2.690
   75   1HB   PRO  11          1HB       PRO  11 -16.934   2.753  -4.396
   76   2HB   PRO  11          2HB       PRO  11 -18.640   2.667  -3.926
   77   1HG   PRO  11          2HG       PRO  11 -16.552   4.600  -3.047
   78   2HG   PRO  11          1HG       PRO  11 -18.310   4.801  -3.110
   79   1HD   PRO  11          1HD       PRO  11 -16.769   4.263  -0.786
   80   2HD   PRO  11          2HD       PRO  11 -18.538   4.187  -0.918
   81    H    VAL  12           H        VAL  12 -15.741   0.652  -0.797
   82    HA   VAL  12           HA       VAL  12 -13.519   0.246  -2.734
   83    HB   VAL  12           HB       VAL  12 -12.988   1.327   0.033
   84   1HG1  VAL  12          1HG1      VAL  12 -11.139   0.268  -1.232
   85   2HG1  VAL  12          2HG1      VAL  12 -11.427   1.380  -2.570
   86   3HG1  VAL  12          3HG1      VAL  12 -10.863   1.996  -1.016
   87   1HG2  VAL  12          1HG2      VAL  12 -13.397   2.909  -2.526
   88   2HG2  VAL  12          2HG2      VAL  12 -14.449   2.948  -1.112
   89   3HG2  VAL  12          3HG2      VAL  12 -12.804   3.572  -1.004
   90    H    GLU  13           H        GLU  13 -12.574  -1.731  -2.472
   91    HA   GLU  13           HA       GLU  13 -12.728  -3.095   0.147
   92   1HB   GLU  13          1HB       GLU  13 -13.531  -5.196  -1.186
   93   2HB   GLU  13          2HB       GLU  13 -14.725  -3.989  -0.707
   94   1HG   GLU  13          1HG       GLU  13 -14.763  -3.019  -2.889
   95   2HG   GLU  13          2HG       GLU  13 -13.320  -3.906  -3.383
   96    H    CYS  14           H        CYS  14 -10.843  -4.194   0.492
   97    HA   CYS  14           HA       CYS  14  -8.601  -4.024  -1.142
   98   1HB   CYS  14          1HB       CYS  14  -8.361  -4.816   1.121
   99   2HB   CYS  14          2HB       CYS  14  -9.381  -6.217   0.797
  100    HA   PRO  15           HA       PRO  15  -9.961  -6.792  -4.416
  101   1HB   PRO  15          1HB       PRO  15  -7.997  -6.025  -6.178
  102   2HB   PRO  15          2HB       PRO  15  -9.487  -5.101  -5.918
  103   1HG   PRO  15          2HG       PRO  15  -6.720  -4.493  -4.996
  104   2HG   PRO  15          1HG       PRO  15  -8.070  -3.386  -5.296
  105   1HD   PRO  15          1HD       PRO  15  -7.188  -4.304  -2.756
  106   2HD   PRO  15          2HD       PRO  15  -8.697  -3.428  -3.093
  107    H    LEU  16           H        LEU  16  -6.984  -6.609  -2.703
  108    HA   LEU  16           HA       LEU  16  -5.512  -8.701  -4.023
  109   1HB   LEU  16          1HB       LEU  16  -5.232  -7.017  -1.686
  110   2HB   LEU  16          2HB       LEU  16  -4.786  -8.679  -1.306
  111    HG   LEU  16           HG       LEU  16  -2.861  -7.367  -2.147
  112   1HD1  LEU  16          1HD1      LEU  16  -3.826  -9.893  -3.106
  113   2HD1  LEU  16          2HD1      LEU  16  -2.955  -9.088  -4.411
  114   3HD1  LEU  16          3HD1      LEU  16  -2.157  -9.378  -2.865
  115   1HD2  LEU  16          1HD2      LEU  16  -4.782  -6.422  -3.990
  116   2HD2  LEU  16          2HD2      LEU  16  -3.067  -6.012  -3.939
  117   3HD2  LEU  16          3HD2      LEU  16  -3.623  -7.355  -4.937
  118    H    CYS  17           H        CYS  17  -7.657  -8.690  -1.181
  119    HA   CYS  17           HA       CYS  17  -7.835 -11.664  -1.435
  120   1HB   CYS  17          2HB       CYS  17  -7.966 -11.863   0.952
  121   2HB   CYS  17          1HB       CYS  17  -6.597 -10.801   0.630
  122    H    MET  18           H        MET  18  -9.419  -8.782  -1.766
  123    HA   MET  18           HA       MET  18 -11.663  -8.277  -2.104
  124   1HB   MET  18          1HB       MET  18 -11.467 -10.902  -2.840
  125   2HB   MET  18          2HB       MET  18 -12.657 -11.002  -1.541
  126   1HG   MET  18          1HG       MET  18 -14.059 -10.536  -3.320
  127   2HG   MET  18          2HG       MET  18 -13.686  -8.895  -2.794
  128   1HE   MET  18          1HE       MET  18 -13.381 -11.695  -4.909
  129   2HE   MET  18          2HE       MET  18 -13.078 -11.057  -6.523
  130   3HE   MET  18          3HE       MET  18 -11.729 -11.598  -5.515
  131    H    GLU  19           H        GLU  19 -11.657  -7.100  -0.095
  132    HA   GLU  19           HA       GLU  19 -13.378  -8.352   1.959
  133   1HB   GLU  19          1HB       GLU  19 -10.521  -7.875   2.281
  134   2HB   GLU  19          2HB       GLU  19 -11.468  -6.998   3.483
  135   1HG   GLU  19          1HG       GLU  19 -12.728  -9.172   3.900
  136   2HG   GLU  19          2HG       GLU  19 -11.496  -9.971   2.921
  137    HA   PRO  20           HA       PRO  20 -14.965  -4.282   2.320
  138   1HB   PRO  20          1HB       PRO  20 -15.588  -4.171   4.993
  139   2HB   PRO  20          2HB       PRO  20 -16.512  -5.112   3.809
  140   1HG   PRO  20          2HG       PRO  20 -14.595  -6.071   5.884
  141   2HG   PRO  20          1HG       PRO  20 -15.965  -6.917   5.146
  142   1HD   PRO  20          1HD       PRO  20 -13.240  -7.287   4.481
  143   2HD   PRO  20          2HD       PRO  20 -14.632  -7.858   3.535
  144    H    LEU  21           H        LEU  21 -13.541  -2.587   2.096
  145    HA   LEU  21           HA       LEU  21 -11.316  -2.184   3.941
  146   1HB   LEU  21          1HB       LEU  21 -12.341  -0.864   1.460
  147   2HB   LEU  21          2HB       LEU  21 -11.264   0.059   2.512
  148    HG   LEU  21           HG       LEU  21 -10.591  -2.754   1.652
  149   1HD1  LEU  21          1HD1      LEU  21 -10.952  -1.387  -0.383
  150   2HD1  LEU  21          2HD1      LEU  21  -9.835  -0.175   0.245
  151   3HD1  LEU  21          3HD1      LEU  21  -9.248  -1.787  -0.165
  152   1HD2  LEU  21          1HD2      LEU  21  -9.468  -0.895   3.429
  153   2HD2  LEU  21          2HD2      LEU  21  -8.712  -2.373   2.835
  154   3HD2  LEU  21          3HD2      LEU  21  -8.434  -0.843   2.001
  155    H    GLU  22           H        GLU  22 -11.360  -0.916   5.744
  156    HA   GLU  22           HA       GLU  22 -13.852   0.258   6.627
  157   1HB   GLU  22          2HB       GLU  22 -11.067   0.681   7.749
  158   2HB   GLU  22          1HB       GLU  22 -12.593   0.978   8.584
  159   1HG   GLU  22          1HG       GLU  22 -11.781  -1.738   7.515
  160   2HG   GLU  22          2HG       GLU  22 -11.492  -1.221   9.175
  161    H    ILE  23           H        ILE  23 -12.818   2.671   7.818
  162    HA   ILE  23           HA       ILE  23 -12.963   4.410   5.436
  163    HB   ILE  23           HB       ILE  23 -13.171   4.890   8.410
  164   1HG1  ILE  23          1HG1      ILE  23 -15.140   4.034   7.115
  165   2HG1  ILE  23          2HG1      ILE  23 -15.418   5.622   7.828
  166   1HG2  ILE  23          1HG2      ILE  23 -11.867   6.746   7.417
  167   2HG2  ILE  23          2HG2      ILE  23 -13.129   6.976   6.208
  168   3HG2  ILE  23          3HG2      ILE  23 -13.473   7.283   7.910
  169   1HD1  ILE  23          1HD1      ILE  23 -14.321   6.273   5.387
  170   2HD1  ILE  23          2HD1      ILE  23 -15.273   4.841   4.996
  171   3HD1  ILE  23          3HD1      ILE  23 -16.049   6.240   5.738
  172    H    ASP  24           H        ASP  24 -10.805   3.981   8.266
  173    HA   ASP  24           HA       ASP  24  -8.828   5.816   7.143
  174   1HB   ASP  24          1HB       ASP  24  -9.347   4.673   9.678
  175   2HB   ASP  24          2HB       ASP  24  -7.747   4.104   9.196
  176    H    ASP  25           H        ASP  25  -9.579   2.519   6.683
  177    HA   ASP  25           HA       ASP  25  -6.848   1.655   6.083
  178   1HB   ASP  25          1HB       ASP  25  -9.533   0.364   5.507
  179   2HB   ASP  25          2HB       ASP  25  -7.968  -0.410   5.257
  180    H    ILE  26           H        ILE  26  -9.455   3.174   4.371
  181    HA   ILE  26           HA       ILE  26  -8.874   2.369   1.712
  182    HB   ILE  26           HB       ILE  26  -9.967   4.966   2.822
  183   1HG1  ILE  26          1HG1      ILE  26 -11.376   2.782   1.274
  184   2HG1  ILE  26          2HG1      ILE  26 -11.229   2.737   3.032
  185   1HG2  ILE  26          1HG2      ILE  26  -8.856   5.235   0.567
  186   2HG2  ILE  26          2HG2      ILE  26  -9.990   4.040  -0.065
  187   3HG2  ILE  26          3HG2      ILE  26 -10.587   5.574   0.567
  188   1HD1  ILE  26          1HD1      ILE  26 -12.123   5.344   2.050
  189   2HD1  ILE  26          2HD1      ILE  26 -13.228   4.041   1.613
  190   3HD1  ILE  26          3HD1      ILE  26 -12.818   4.321   3.306
  191    H    ASN  27           H        ASN  27  -7.891   5.485   3.195
  192    HA   ASN  27           HA       ASN  27  -5.962   6.106   1.197
  193   1HB   ASN  27          2HB       ASN  27  -5.800   6.945   4.102
  194   2HB   ASN  27          1HB       ASN  27  -5.177   7.809   2.698
  195   2HD2  ASN  27          2HD2      ASN  27  -7.034   8.302   0.984
  196   1HD2  ASN  27          1HD2      ASN  27  -8.496   8.859   1.640
  197    H    PHE  28           H        PHE  28  -5.818   3.914   3.892
  198    HA   PHE  28           HA       PHE  28  -2.914   3.852   4.059
  199   1HB   PHE  28          1HB       PHE  28  -4.195   3.163   6.000
  200   2HB   PHE  28          2HB       PHE  28  -5.031   1.926   5.059
  201    HD1  PHE  28           HD1      PHE  28  -1.767   2.934   6.500
  202    HD2  PHE  28           HD2      PHE  28  -3.974  -0.177   4.524
  203    HE1  PHE  28           HE1      PHE  28   0.060   1.328   6.986
  204    HE2  PHE  28           HE2      PHE  28  -2.146  -1.781   5.006
  205    HZ   PHE  28           HZ       PHE  28  -0.130  -1.028   6.240
  206    H    PHE  29           H        PHE  29  -1.678   3.022   2.467
  207    HA   PHE  29           HA       PHE  29  -2.552   0.492   1.164
  208   1HB   PHE  29          1HB       PHE  29  -1.411   1.620  -0.964
  209   2HB   PHE  29          2HB       PHE  29  -3.120   1.875  -0.610
  210    HD1  PHE  29           HD1      PHE  29   0.194   3.305   0.482
  211    HD2  PHE  29           HD2      PHE  29  -3.864   4.062  -0.718
  212    HE1  PHE  29           HE1      PHE  29   0.577   5.746   0.709
  213    HE2  PHE  29           HE2      PHE  29  -3.482   6.498  -0.486
  214    HZ   PHE  29           HZ       PHE  29  -1.259   7.342   0.226
  215    HA   PRO  30           HA       PRO  30   1.648  -0.574   1.839
  216   1HB   PRO  30          1HB       PRO  30   1.906  -2.533  -0.077
  217   2HB   PRO  30          2HB       PRO  30   1.033  -2.763   1.449
  218   1HG   PRO  30          2HG       PRO  30  -0.063  -2.391  -1.299
  219   2HG   PRO  30          1HG       PRO  30  -0.782  -3.214   0.096
  220   1HD   PRO  30          1HD       PRO  30  -1.450  -0.621  -0.820
  221   2HD   PRO  30          2HD       PRO  30  -1.903  -1.325   0.747
  222    H    CYS  31           H        CYS  31   0.526   0.829  -1.054
  223    HA   CYS  31           HA       CYS  31   3.296   1.603  -1.776
  224   1HB   CYS  31          1HB       CYS  31   2.869  -0.289  -3.228
  225   2HB   CYS  31          2HB       CYS  31   1.294   0.365  -3.684
  226    H    THR  32           H        THR  32   3.371   3.609  -2.966
  227    HA   THR  32           HA       THR  32   1.005   5.303  -2.470
  228    HB   THR  32           HB       THR  32   3.136   6.731  -3.743
  229    HG1  THR  32           HG1      THR  32   4.579   6.166  -1.820
  230   1HG2  THR  32          1HG2      THR  32   1.450   7.546  -2.067
  231   2HG2  THR  32          2HG2      THR  32   2.322   6.642  -0.828
  232   3HG2  THR  32          3HG2      THR  32   3.114   7.976  -1.669
  233    H    CYS  33           H        CYS  33   0.981   3.309  -4.738
  234    HA   CYS  33           HA       CYS  33   0.887   5.226  -7.022
  235   1HB   CYS  33          1HB       CYS  33   1.059   3.381  -8.505
  236   2HB   CYS  33          2HB       CYS  33   2.195   3.028  -7.206
  237    H    GLY  34           H        GLY  34  -1.126   3.965  -4.715
  238   1HA   GLY  34          2HA       GLY  34  -3.480   4.274  -6.533
  239   2HA   GLY  34          1HA       GLY  34  -3.480   4.750  -4.835
  240    H    TYR  35           H        TYR  35  -2.348   1.714  -6.386
  241    HA   TYR  35           HA       TYR  35  -4.510   0.062  -5.814
  242   1HB   TYR  35          1HB       TYR  35  -2.071  -0.445  -6.784
  243   2HB   TYR  35          2HB       TYR  35  -1.807  -1.022  -5.138
  244    HD1  TYR  35           HD1      TYR  35  -4.888  -1.081  -7.262
  245    HD2  TYR  35           HD2      TYR  35  -1.867  -3.376  -5.243
  246    HE1  TYR  35           HE1      TYR  35  -6.110  -3.170  -7.803
  247    HE2  TYR  35           HE2      TYR  35  -3.089  -5.463  -5.788
  248    HH   TYR  35           HH       TYR  35  -6.035  -5.741  -6.464
  249    H    GLN  36           H        GLN  36  -5.588   0.566  -3.879
  250    HA   GLN  36           HA       GLN  36  -4.045   0.379  -1.345
  251   1HB   GLN  36          2HB       GLN  36  -6.979   0.862  -1.272
  252   2HB   GLN  36          1HB       GLN  36  -5.688   1.645  -0.361
  253   1HG   GLN  36          1HG       GLN  36  -5.041   2.923  -2.367
  254   2HG   GLN  36          2HG       GLN  36  -6.332   2.145  -3.283
  255   2HE2  GLN  36          2HE2      GLN  36  -5.629   4.623  -0.897
  256   1HE2  GLN  36          1HE2      GLN  36  -7.215   5.214  -0.767
  257    H    ILE  37           H        ILE  37  -4.517  -1.223   0.214
  258    HA   ILE  37           HA       ILE  37  -6.499  -3.298  -0.598
  259    HB   ILE  37           HB       ILE  37  -4.931  -5.076  -0.026
  260   1HG1  ILE  37          1HG1      ILE  37  -2.919  -2.854   0.443
  261   2HG1  ILE  37          2HG1      ILE  37  -3.711  -3.767   1.727
  262   1HG2  ILE  37          1HG2      ILE  37  -4.371  -3.080  -2.117
  263   2HG2  ILE  37          2HG2      ILE  37  -2.987  -4.093  -1.709
  264   3HG2  ILE  37          3HG2      ILE  37  -4.497  -4.834  -2.242
  265   1HD1  ILE  37          1HD1      ILE  37  -2.811  -5.873   0.584
  266   2HD1  ILE  37          2HD1      ILE  37  -1.797  -4.794  -0.375
  267   3HD1  ILE  37          3HD1      ILE  37  -1.614  -4.849   1.379
  268    H    CYS  38           H        CYS  38  -6.150  -5.034   1.512
  269    HA   CYS  38           HA       CYS  38  -7.170  -3.410   3.750
  270   1HB   CYS  38          1HB       CYS  38  -8.070  -5.434   4.617
  271   2HB   CYS  38          2HB       CYS  38  -8.296  -5.551   2.874
  272    H    ARG  39           H        ARG  39  -6.417  -4.314   6.017
  273    HA   ARG  39           HA       ARG  39  -3.500  -4.016   6.065
  274   1HB   ARG  39          1HB       ARG  39  -5.622  -4.281   8.200
  275   2HB   ARG  39          2HB       ARG  39  -3.902  -4.275   8.591
  276   1HG   ARG  39          1HG       ARG  39  -4.926  -2.118   6.796
  277   2HG   ARG  39          2HG       ARG  39  -5.314  -2.012   8.514
  278   1HD   ARG  39          1HD       ARG  39  -2.524  -2.333   7.365
  279   2HD   ARG  39          2HD       ARG  39  -3.201  -0.834   8.001
  280    HE   ARG  39           HE       ARG  39  -2.574  -3.245   9.646
  281   1HH1  ARG  39          1HH1      ARG  39  -4.100  -0.203   9.532
  282   2HH1  ARG  39          2HH1      ARG  39  -3.490   0.332  11.062
  283   1HH2  ARG  39          1HH2      ARG  39  -1.451  -2.437  11.516
  284   2HH2  ARG  39          2HH2      ARG  39  -1.989  -0.933  12.186
  285    H    PHE  40           H        PHE  40  -5.728  -6.618   5.974
  286    HA   PHE  40           HA       PHE  40  -3.996  -8.534   7.361
  287   1HB   PHE  40          1HB       PHE  40  -6.573  -8.729   5.811
  288   2HB   PHE  40          2HB       PHE  40  -5.685 -10.182   6.267
  289    HD1  PHE  40           HD1      PHE  40  -4.752 -10.004   8.843
  290    HD2  PHE  40           HD2      PHE  40  -8.271  -8.107   7.274
  291    HE1  PHE  40           HE1      PHE  40  -5.702  -9.872  11.130
  292    HE2  PHE  40           HE2      PHE  40  -9.221  -7.974   9.562
  293    HZ   PHE  40           HZ       PHE  40  -7.934  -8.856  11.490
  294    H    CYS  41           H        CYS  41  -4.179  -7.204   4.210
  295    HA   CYS  41           HA       CYS  41  -2.903  -9.545   2.938
  296   1HB   CYS  41          1HB       CYS  41  -4.088  -6.973   1.982
  297   2HB   CYS  41          2HB       CYS  41  -2.858  -7.740   0.978
  298    H    TRP  42           H        TRP  42  -2.115  -6.172   3.768
  299    HA   TRP  42           HA       TRP  42   0.569  -6.285   2.712
  300   1HB   TRP  42          1HB       TRP  42  -0.445  -4.124   3.070
  301   2HB   TRP  42          2HB       TRP  42  -0.734  -4.484   4.772
  302    HD1  TRP  42           HD1      TRP  42   2.210  -4.001   2.324
  303    HE1  TRP  42           HE1      TRP  42   4.226  -3.100   3.656
  304    HE3  TRP  42           HE3      TRP  42   0.280  -4.146   7.048
  305    HZ2  TRP  42           HZ2      TRP  42   4.926  -2.515   6.371
  306    HZ3  TRP  42           HZ3      TRP  42   1.639  -3.412   8.987
  307    HH2  TRP  42           HH2      TRP  42   3.958  -2.599   8.655
  308    H    HIS  43           H        HIS  43  -0.891  -7.649   5.469
  309    HA   HIS  43           HA       HIS  43   1.579  -7.695   7.075
  310   1HB   HIS  43          1HB       HIS  43  -1.254  -8.580   7.453
  311   2HB   HIS  43          2HB       HIS  43  -0.003  -9.371   8.412
  312    HD1  HIS  43           HD1      HIS  43   0.529  -8.211  10.540
  313    HD2  HIS  43           HD2      HIS  43  -0.920  -5.551   7.679
  314    HE1  HIS  43           HE1      HIS  43   0.409  -5.945  11.667
  315    H    ARG  44           H        ARG  44   0.318  -9.458   4.495
  316    HA   ARG  44           HA       ARG  44   1.771 -11.927   5.337
  317   1HB   ARG  44          1HB       ARG  44  -0.781 -11.729   4.406
  318   2HB   ARG  44          2HB       ARG  44   0.092 -11.999   2.897
  319   1HG   ARG  44          1HG       ARG  44   1.294 -13.836   4.513
  320   2HG   ARG  44          2HG       ARG  44  -0.338 -13.831   5.181
  321   1HD   ARG  44          1HD       ARG  44   0.548 -14.504   2.381
  322   2HD   ARG  44          2HD       ARG  44  -0.472 -15.441   3.473
  323    HE   ARG  44           HE       ARG  44  -1.354 -13.034   1.954
  324   1HH1  ARG  44          1HH1      ARG  44  -2.090 -15.067   4.569
  325   2HH1  ARG  44          2HH1      ARG  44  -3.737 -15.332   4.105
  326   1HH2  ARG  44          1HH2      ARG  44  -3.431 -13.671   1.079
  327   2HH2  ARG  44          2HH2      ARG  44  -4.498 -14.537   2.133
  328    H    ILE  45           H        ILE  45   1.620  -9.383   2.931
  329    HA   ILE  45           HA       ILE  45   3.439 -10.710   1.077
  330    HB   ILE  45           HB       ILE  45   2.461  -7.854   1.318
  331   1HG1  ILE  45          1HG1      ILE  45   1.949  -9.601  -1.038
  332   2HG1  ILE  45          2HG1      ILE  45   1.120 -10.037   0.457
  333   1HG2  ILE  45          1HG2      ILE  45   4.744  -8.918  -0.113
  334   2HG2  ILE  45          2HG2      ILE  45   3.537  -8.310  -1.246
  335   3HG2  ILE  45          3HG2      ILE  45   4.187  -7.248   0.003
  336   1HD1  ILE  45          1HD1      ILE  45   0.353  -7.633   0.623
  337   2HD1  ILE  45          2HD1      ILE  45   1.000  -7.382  -0.998
  338   3HD1  ILE  45          3HD1      ILE  45  -0.321  -8.523  -0.742
  339    H    ARG  46           H        ARG  46   3.827  -7.782   3.118
  340    HA   ARG  46           HA       ARG  46   6.669  -7.682   2.835
  341   1HB   ARG  46          1HB       ARG  46   4.805  -6.029   3.936
  342   2HB   ARG  46          2HB       ARG  46   5.533  -6.707   5.393
  343   1HG   ARG  46          1HG       ARG  46   7.796  -6.138   4.419
  344   2HG   ARG  46          2HG       ARG  46   6.954  -5.265   3.139
  345   1HD   ARG  46          2HD       ARG  46   6.841  -3.475   4.496
  346   2HD   ARG  46          1HD       ARG  46   5.793  -4.403   5.569
  347    HE   ARG  46           HE       ARG  46   8.774  -4.351   5.838
  348   1HH1  ARG  46          1HH1      ARG  46   7.092  -6.457   7.279
  349   2HH1  ARG  46          2HH1      ARG  46   6.916  -5.726   8.840
  350   1HH2  ARG  46          1HH2      ARG  46   7.889  -2.574   7.768
  351   2HH2  ARG  46          2HH2      ARG  46   7.365  -3.526   9.116
  352    H    THR  47           H        THR  47   4.676  -9.836   4.577
  353    HA   THR  47           HA       THR  47   6.880 -10.542   6.452
  354    HB   THR  47           HB       THR  47   3.961 -11.349   6.353
  355    HG1  THR  47           HG1      THR  47   3.809 -10.070   8.111
  356   1HG2  THR  47          1HG2      THR  47   6.284 -12.555   7.712
  357   2HG2  THR  47          2HG2      THR  47   4.917 -12.205   8.770
  358   3HG2  THR  47          3HG2      THR  47   4.699 -13.245   7.362
  359    H    ASP  48           H        ASP  48   4.433 -12.560   4.814
  360    HA   ASP  48           HA       ASP  48   6.263 -14.761   4.516
  361   1HB   ASP  48          1HB       ASP  48   3.654 -14.751   4.514
  362   2HB   ASP  48          2HB       ASP  48   3.820 -14.397   2.794
  363    H    GLU  49           H        GLU  49   5.146 -12.212   2.302
  364    HA   GLU  49           HA       GLU  49   6.897 -13.273   0.166
  365   1HB   GLU  49          1HB       GLU  49   4.470 -12.027   0.068
  366   2HB   GLU  49          2HB       GLU  49   5.554 -10.666  -0.226
  367   1HG   GLU  49          1HG       GLU  49   6.597 -11.817  -2.084
  368   2HG   GLU  49          2HG       GLU  49   5.699 -13.293  -1.730
  369    H    ASN  50           H        ASN  50   7.392 -10.546  -0.889
  370    HA   ASN  50           HA       ASN  50   9.688  -9.892   0.891
  371   1HB   ASN  50          1HB       ASN  50  10.322  -8.464  -1.202
  372   2HB   ASN  50          2HB       ASN  50  10.502 -10.217  -1.289
  373   2HD2  ASN  50          2HD2      ASN  50   8.911 -11.426  -2.559
  374   1HD2  ASN  50          1HD2      ASN  50   7.891 -10.640  -3.665
  375    H    GLY  51           H        GLY  51   7.187  -8.199  -1.042
  376   1HA   GLY  51          2HA       GLY  51   7.464  -5.904   0.850
  377   2HA   GLY  51          1HA       GLY  51   5.871  -6.537   0.433
  378    H    LEU  52           H        LEU  52   6.182  -6.975  -2.307
  379    HA   LEU  52           HA       LEU  52   6.922  -4.276  -3.359
  380   1HB   LEU  52          1HB       LEU  52   6.728  -6.986  -4.699
  381   2HB   LEU  52          2HB       LEU  52   6.864  -5.482  -5.609
  382    HG   LEU  52           HG       LEU  52   8.836  -6.445  -3.516
  383   1HD1  LEU  52          1HD1      LEU  52   8.672  -6.685  -6.487
  384   2HD1  LEU  52          2HD1      LEU  52  10.255  -6.350  -5.785
  385   3HD1  LEU  52          3HD1      LEU  52   9.367  -7.798  -5.307
  386   1HD2  LEU  52          1HD2      LEU  52   8.302  -3.851  -4.542
  387   2HD2  LEU  52          2HD2      LEU  52   9.672  -4.351  -3.549
  388   3HD2  LEU  52          3HD2      LEU  52   9.792  -4.399  -5.308
  389    H    CYS  53           H        CYS  53   5.489  -3.603  -5.274
  390    HA   CYS  53           HA       CYS  53   2.683  -3.820  -4.407
  391   1HB   CYS  53          1HB       CYS  53   3.944  -1.685  -5.226
  392   2HB   CYS  53          2HB       CYS  53   3.614  -2.320  -6.837
  393    HA   PRO  54           HA       PRO  54   1.968  -6.958  -7.499
  394   1HB   PRO  54          1HB       PRO  54  -0.680  -7.329  -6.873
  395   2HB   PRO  54          2HB       PRO  54   0.650  -8.018  -5.928
  396   1HG   PRO  54          2HG       PRO  54  -1.128  -5.722  -5.262
  397   2HG   PRO  54          1HG       PRO  54  -0.240  -6.804  -4.177
  398   1HD   PRO  54          1HD       PRO  54   0.520  -4.166  -4.904
  399   2HD   PRO  54          2HD       PRO  54   1.529  -5.355  -4.053
  400    H    ALA  55           H        ALA  55   1.134  -3.800  -7.594
  401    HA   ALA  55           HA       ALA  55  -0.576  -4.159 -10.021
  402   1HB   ALA  55          1HB       ALA  55  -1.450  -2.945  -7.803
  403   2HB   ALA  55          3HB       ALA  55  -1.901  -2.372  -9.410
  404   3HB   ALA  55          2HB       ALA  55  -0.601  -1.577  -8.524
  405    H    CYS  56           H        CYS  56   1.962  -2.170  -8.493
  406    HA   CYS  56           HA       CYS  56   2.736  -1.301 -11.248
  407   1HB   CYS  56          2HB       CYS  56   3.423   0.796 -10.397
  408   2HB   CYS  56          1HB       CYS  56   1.905   0.471  -9.563
  409    H    ARG  57           H        ARG  57   3.663  -3.088  -8.523
  410    HA   ARG  57           HA       ARG  57   5.601  -4.357  -8.148
  411   1HB   ARG  57          1HB       ARG  57   5.778  -3.597 -10.920
  412   2HB   ARG  57          2HB       ARG  57   7.382  -3.546 -10.187
  413   1HG   ARG  57          1HG       ARG  57   7.442  -5.801  -9.854
  414   2HG   ARG  57          2HG       ARG  57   5.731  -5.882  -9.433
  415   1HD   ARG  57          1HD       ARG  57   5.831  -5.134 -12.157
  416   2HD   ARG  57          2HD       ARG  57   6.992  -6.446 -11.965
  417    HE   ARG  57           HE       ARG  57   4.095  -6.647 -11.259
  418   1HH1  ARG  57          1HH1      ARG  57   6.910  -8.269 -10.621
  419   2HH1  ARG  57          2HH1      ARG  57   6.452  -9.764 -11.368
  420   1HH2  ARG  57          1HH2      ARG  57   3.600  -8.456 -12.845
  421   2HH2  ARG  57          2HH2      ARG  57   4.578  -9.868 -12.630
  422    H    LYS  58           H        LYS  58   5.268  -1.590  -7.114
  423    HA   LYS  58           HA       LYS  58   8.118  -0.718  -7.007
  424   1HB   LYS  58          1HB       LYS  58   5.516   0.671  -6.353
  425   2HB   LYS  58          2HB       LYS  58   7.060   1.293  -5.776
  426   1HG   LYS  58          1HG       LYS  58   7.839   1.112  -8.232
  427   2HG   LYS  58          2HG       LYS  58   6.126   0.973  -8.625
  428   1HD   LYS  58          1HD       LYS  58   6.121   3.107  -6.901
  429   2HD   LYS  58          2HD       LYS  58   7.662   3.324  -7.731
  430   1HE   LYS  58          1HE       LYS  58   6.427   3.028  -9.915
  431   2HE   LYS  58          2HE       LYS  58   4.922   3.073  -8.997
  432   1HZ   LYS  58          1HZ       LYS  58   6.531   5.221  -8.190
  433   2HZ   LYS  58          2HZ       LYS  58   6.461   5.226  -9.885
  434   3HZ   LYS  58          3HZ       LYS  58   5.026   5.268  -8.977
  435    HA   PRO  59           HA       PRO  59   8.480  -2.224  -2.916
  436   1HB   PRO  59          1HB       PRO  59  10.340  -0.447  -1.931
  437   2HB   PRO  59          2HB       PRO  59  10.732  -1.753  -3.063
  438   1HG   PRO  59          2HG       PRO  59  10.492   1.175  -3.584
  439   2HG   PRO  59          1HG       PRO  59  11.456  -0.041  -4.438
  440   1HD   PRO  59          1HD       PRO  59   8.995   1.034  -5.323
  441   2HD   PRO  59          2HD       PRO  59   9.792  -0.415  -5.972
  442    H    TYR  60           H        TYR  60   6.915  -1.953  -1.382
  443    HA   TYR  60           HA       TYR  60   5.268   0.181  -0.872
  444   1HB   TYR  60          1HB       TYR  60   6.499  -1.591   1.261
  445   2HB   TYR  60          2HB       TYR  60   5.023  -0.646   1.443
  446    HD1  TYR  60           HD1      TYR  60   4.615  -1.365  -1.784
  447    HD2  TYR  60           HD2      TYR  60   4.898  -3.518   1.925
  448    HE1  TYR  60           HE1      TYR  60   3.296  -3.223  -2.759
  449    HE2  TYR  60           HE2      TYR  60   3.582  -5.376   0.944
  450    HH   TYR  60           HH       TYR  60   2.001  -5.761  -0.846
  451    HA   PRO  61           HA       PRO  61   7.640   3.438   0.868
  452   1HB   PRO  61          1HB       PRO  61   5.730   4.616   2.456
  453   2HB   PRO  61          2HB       PRO  61   5.755   4.753   0.690
  454   1HG   PRO  61          2HG       PRO  61   3.962   3.114   2.421
  455   2HG   PRO  61          1HG       PRO  61   3.663   3.781   0.808
  456   1HD   PRO  61          1HD       PRO  61   4.330   1.096   1.386
  457   2HD   PRO  61          2HD       PRO  61   4.366   1.856  -0.219
  458    H    GLU  62           H        GLU  62   6.718   0.801   2.668
  459    HA   GLU  62           HA       GLU  62   7.705   1.910   5.248
  460   1HB   GLU  62          1HB       GLU  62   5.567   0.529   5.125
  461   2HB   GLU  62          2HB       GLU  62   6.588  -0.857   4.740
  462   1HG   GLU  62          1HG       GLU  62   7.485  -0.962   6.857
  463   2HG   GLU  62          2HG       GLU  62   7.360   0.779   7.111
  464    H    ASP  63           H        ASP  63   9.661   1.256   6.100
  465    HA   ASP  63           HA       ASP  63  11.724   0.139   6.249
  466   1HB   ASP  63          1HB       ASP  63   9.924  -1.823   5.357
  467   2HB   ASP  63          2HB       ASP  63  11.285  -1.915   4.240
  468    HA   PRO  64           HA       PRO  64  13.710   1.914   2.733
  469   1HB   PRO  64          1HB       PRO  64  16.280   1.198   3.389
  470   2HB   PRO  64          2HB       PRO  64  15.400   2.518   4.180
  471   1HG   PRO  64          2HG       PRO  64  16.026  -0.207   5.219
  472   2HG   PRO  64          1HG       PRO  64  15.748   1.299   6.111
  473   1HD   PRO  64          1HD       PRO  64  13.876  -0.799   5.781
  474   2HD   PRO  64          2HD       PRO  64  13.518   0.839   6.370
  475    H    ALA  65           H        ALA  65  14.331  -1.460   3.629
  476    HA   ALA  65           HA       ALA  65  14.698  -3.346   2.278
  477   1HB   ALA  65          1HB       ALA  65  13.571  -3.409   0.267
  478   2HB   ALA  65          3HB       ALA  65  14.145  -1.815  -0.222
  479   3HB   ALA  65          2HB       ALA  65  12.826  -1.958   0.941
  480    H    VAL  66           H        VAL  66  16.717  -1.092   2.706
  481    HA   VAL  66           HA       VAL  66  18.767  -2.206   0.928
  482    HB   VAL  66           HB       VAL  66  17.959  -0.514  -0.567
  483   1HG1  VAL  66          1HG1      VAL  66  16.887   0.675   1.604
  484   2HG1  VAL  66          2HG1      VAL  66  18.291   1.717   1.373
  485   3HG1  VAL  66          3HG1      VAL  66  17.113   1.522   0.074
  486   1HG2  VAL  66          1HG2      VAL  66  20.422  -0.582  -0.281
  487   2HG2  VAL  66          2HG2      VAL  66  19.864   1.047  -0.663
  488   3HG2  VAL  66          3HG2      VAL  66  20.299   0.629   0.994
  489    H    TYR  67           H        TYR  67  17.879   0.215   3.371
  490    HA   TYR  67           HA       TYR  67  19.018   0.877   5.315
  491   1HB   TYR  67          1HB       TYR  67  19.303  -1.658   5.498
  492   2HB   TYR  67          2HB       TYR  67  20.896  -1.434   4.777
  493    HD1  TYR  67           HD1      TYR  67  22.604  -0.012   5.933
  494    HD2  TYR  67           HD2      TYR  67  18.872  -1.066   7.778
  495    HE1  TYR  67           HE1      TYR  67  23.522   0.620   8.148
  496    HE2  TYR  67           HE2      TYR  67  19.788  -0.433   9.994
  497    HH   TYR  67           HH       TYR  67  23.155   0.688  10.337
  498    H    LYS  68           H        LYS  68  19.893   2.826   4.563
  499    HA   LYS  68           HA       LYS  68  22.634   2.636   3.384
  500   1HB   LYS  68          1HB       LYS  68  20.862   3.606   1.879
  501   2HB   LYS  68          2HB       LYS  68  20.664   4.913   3.048
  502   1HG   LYS  68          1HG       LYS  68  22.249   5.915   1.725
  503   2HG   LYS  68          2HG       LYS  68  23.342   4.999   2.763
  504   1HD   LYS  68          1HD       LYS  68  24.050   3.765   1.019
  505   2HD   LYS  68          2HD       LYS  68  22.393   3.326   0.603
  506   1HE   LYS  68          1HE       LYS  68  22.328   4.818  -1.090
  507   2HE   LYS  68          2HE       LYS  68  22.983   6.101  -0.073
  508   1HZ   LYS  68          1HZ       LYS  68  24.687   3.933  -1.142
  509   2HZ   LYS  68          2HZ       LYS  68  24.381   5.345  -2.029
  510   3HZ   LYS  68          3HZ       LYS  68  25.161   5.441  -0.523
  511    HA   PRO  69           HA       PRO  69  23.700   4.757   7.155
  512   1HB   PRO  69          1HB       PRO  69  26.397   4.848   6.650
  513   2HB   PRO  69          2HB       PRO  69  25.563   3.400   7.238
  514   1HG   PRO  69          2HG       PRO  69  26.618   3.978   4.512
  515   2HG   PRO  69          1HG       PRO  69  26.345   2.416   5.300
  516   1HD   PRO  69          1HD       PRO  69  24.665   3.628   3.358
  517   2HD   PRO  69          2HD       PRO  69  24.267   2.215   4.358
  518    H    LEU  70           H        LEU  70  23.633   6.956   7.495
  519    HA   LEU  70           HA       LEU  70  25.046   8.744   5.590
  520   1HB   LEU  70          1HB       LEU  70  22.238   8.396   5.587
  521   2HB   LEU  70          2HB       LEU  70  22.541   9.948   6.371
  522    HG   LEU  70           HG       LEU  70  24.149   9.397   3.940
  523   1HD1  LEU  70          1HD1      LEU  70  21.153   9.826   3.890
  524   2HD1  LEU  70          2HD1      LEU  70  22.195  10.178   2.512
  525   3HD1  LEU  70          3HD1      LEU  70  22.067   8.528   3.122
  526   1HD2  LEU  70          1HD2      LEU  70  22.799  11.697   5.314
  527   2HD2  LEU  70          2HD2      LEU  70  24.470  11.547   4.772
  528   3HD2  LEU  70          3HD2      LEU  70  23.187  11.843   3.599
  529    H    SER  71           H        SER  71  25.760  10.688   6.570
  530    HA   SER  71           HA       SER  71  25.831  10.592   9.514
  531   1HB   SER  71          1HB       SER  71  27.199  12.361   7.475
  532   2HB   SER  71          2HB       SER  71  27.383  12.571   9.215
  533    HG   SER  71           HG       SER  71  27.834  10.117   8.995
  534    H    GLN  72           H        GLN  72  25.396  12.597  10.766
  535    HA   GLN  72           HA       GLN  72  23.604  14.571   9.501
  536   1HB   GLN  72          1HB       GLN  72  22.701  12.423  11.353
  537   2HB   GLN  72          2HB       GLN  72  22.074  14.042  11.665
  538   1HG   GLN  72          1HG       GLN  72  21.503  14.137   9.168
  539   2HG   GLN  72          2HG       GLN  72  21.809  12.400   9.142
  540   2HE2  GLN  72          2HE2      GLN  72  20.685  11.457  11.458
  541   1HE2  GLN  72          1HE2      GLN  72  19.031  11.835  11.534
  542    H    GLU  73           H        GLU  73  23.247  16.435  10.945
  543    HA   GLU  73           HA       GLU  73  24.125  18.055  12.399
  544   1HB   GLU  73          1HB       GLU  73  24.390  15.563  14.109
  545   2HB   GLU  73          2HB       GLU  73  24.566  17.209  14.718
  546   1HG   GLU  73          1HG       GLU  73  22.123  16.769  13.131
  547   2HG   GLU  73          2HG       GLU  73  22.192  15.844  14.632
  548    H    GLU  74           H        GLU  74  26.328  16.932  14.419
  549    HA   GLU  74           HA       GLU  74  28.546  17.132  12.425
  550   1HB   GLU  74          2HB       GLU  74  28.576  18.068  15.309
  551   2HB   GLU  74          1HB       GLU  74  29.860  18.287  14.119
  552   1HG   GLU  74          1HG       GLU  74  28.328  19.645  12.727
  553   2HG   GLU  74          2HG       GLU  74  27.064  19.451  13.943
  554    H    LEU  75           H        LEU  75  28.665  14.805  12.277
  555    HA   LEU  75           HA       LEU  75  29.980  13.581  14.659
  556   1HB   LEU  75          1HB       LEU  75  27.422  12.933  13.972
  557   2HB   LEU  75          2HB       LEU  75  28.327  11.763  13.009
  558    HG   LEU  75           HG       LEU  75  28.937  12.210  15.933
  559   1HD1  LEU  75          1HD1      LEU  75  26.562  11.027  14.782
  560   2HD1  LEU  75          2HD1      LEU  75  27.504   9.797  15.627
  561   3HD1  LEU  75          3HD1      LEU  75  26.977  11.247  16.481
  562   1HD2  LEU  75          1HD2      LEU  75  29.368   9.887  14.024
  563   2HD2  LEU  75          2HD2      LEU  75  30.609  11.025  14.552
  564   3HD2  LEU  75          3HD2      LEU  75  29.866   9.927  15.715
  565    H    GLN  76           H        GLN  76  31.636  14.520  12.861
  566    HA   GLN  76           HA       GLN  76  32.098  13.000  10.493
  567   1HB   GLN  76          1HB       GLN  76  33.758  14.805  12.216
  568   2HB   GLN  76          2HB       GLN  76  34.567  13.827  10.989
  569   1HG   GLN  76          1HG       GLN  76  33.843  15.178   9.342
  570   2HG   GLN  76          2HG       GLN  76  32.175  15.042   9.898
  571   2HE2  GLN  76          2HE2      GLN  76  32.199  17.466   9.251
  572   1HE2  GLN  76          1HE2      GLN  76  32.705  18.574  10.433
  573    H    ARG  77           H        ARG  77  34.192  12.889  13.389
  574    HA   ARG  77           HA       ARG  77  34.021   9.978  13.538
  575   1HB   ARG  77          1HB       ARG  77  36.520   9.713  13.117
  576   2HB   ARG  77          2HB       ARG  77  35.545  10.052  11.687
  577   1HG   ARG  77          1HG       ARG  77  36.086  12.487  11.968
  578   2HG   ARG  77          2HG       ARG  77  37.186  12.045  13.275
  579   1HD   ARG  77          1HD       ARG  77  38.031  10.338  11.340
  580   2HD   ARG  77          2HD       ARG  77  37.492  11.693  10.349
  581    HE   ARG  77           HE       ARG  77  39.917  11.672  11.766
  582   1HH1  ARG  77          1HH1      ARG  77  37.259  13.672  10.953
  583   2HH1  ARG  77          2HH1      ARG  77  37.965  15.117  11.597
  584   1HH2  ARG  77          1HH2      ARG  77  40.758  13.504  12.870
  585   2HH2  ARG  77          2HH2      ARG  77  39.943  15.021  12.685
  586    H    ILE  78           H        ILE  78  34.062   9.668  15.711
  587    HA   ILE  78           HA       ILE  78  34.582   9.985  17.978
  588    HB   ILE  78           HB       ILE  78  37.226  10.730  16.695
  589   1HG1  ILE  78          2HG1      ILE  78  36.475   8.441  16.221
  590   2HG1  ILE  78          1HG1      ILE  78  37.826   8.407  17.355
  591   1HG2  ILE  78          1HG2      ILE  78  36.313  10.683  19.503
  592   2HG2  ILE  78          2HG2      ILE  78  37.795   9.777  19.200
  593   3HG2  ILE  78          3HG2      ILE  78  37.709  11.488  18.786
  594   1HD1  ILE  78          1HD1      ILE  78  35.886   8.509  19.159
  595   2HD1  ILE  78          2HD1      ILE  78  34.926   7.833  17.844
  596   3HD1  ILE  78          3HD1      ILE  78  36.350   6.973  18.428

  No H/Q in entry =         596
  Start of MODEL   30
    1    H1   MET   1           H1       MET   1 -39.334   6.483   1.292
    2    H2   MET   1           H2       MET   1 -39.921   6.381   2.883
    3    H3   MET   1           H3       MET   1 -40.968   6.117   1.575
    4    HA   MET   1           HA       MET   1 -41.539   8.250   2.056
    5   1HB   MET   1          1HB       MET   1 -39.246   8.115   3.636
    6   2HB   MET   1          2HB       MET   1 -38.910   9.436   2.516
    7   1HG   MET   1          1HG       MET   1 -40.305  10.781   3.655
    8   2HG   MET   1          2HG       MET   1 -41.633   9.652   3.388
    9   1HE   MET   1          1HE       MET   1 -42.536  10.673   5.368
   10   2HE   MET   1          2HE       MET   1 -42.207  10.191   7.030
   11   3HE   MET   1          3HE       MET   1 -41.245  11.463   6.282
   12    H    SER   2           H        SER   2 -38.181   8.371   0.801
   13    HA   SER   2           HA       SER   2 -39.118   8.914  -1.906
   14   1HB   SER   2          1HB       SER   2 -37.930  11.143  -0.234
   15   2HB   SER   2          2HB       SER   2 -38.022  11.191  -1.991
   16    HG   SER   2           HG       SER   2 -40.039  11.341  -0.069
   17    H    ARG   3           H        ARG   3 -36.450   8.988   0.429
   18    HA   ARG   3           HA       ARG   3 -34.693   7.883  -1.722
   19   1HB   ARG   3          1HB       ARG   3 -34.324  10.283  -0.072
   20   2HB   ARG   3          2HB       ARG   3 -32.957   9.171   0.009
   21   1HG   ARG   3          1HG       ARG   3 -32.513   9.331  -2.273
   22   2HG   ARG   3          2HG       ARG   3 -34.163   9.819  -2.661
   23   1HD   ARG   3          2HD       ARG   3 -33.271  11.909  -2.786
   24   2HD   ARG   3          1HD       ARG   3 -33.384  11.866  -1.027
   25    HE   ARG   3           HE       ARG   3 -31.037  11.870  -0.990
   26   1HH1  ARG   3          1HH1      ARG   3 -32.039  11.569  -4.197
   27   2HH1  ARG   3          2HH1      ARG   3 -30.562  10.867  -4.768
   28   1HH2  ARG   3          1HH2      ARG   3 -29.199  10.501  -1.604
   29   2HH2  ARG   3          2HH2      ARG   3 -28.957  10.263  -3.302
   30    H    SER   4           H        SER   4 -34.074   8.551   1.717
   31    HA   SER   4           HA       SER   4 -33.532   7.092   3.472
   32   1HB   SER   4          1HB       SER   4 -34.604   4.658   2.245
   33   2HB   SER   4          2HB       SER   4 -35.058   5.444   3.755
   34    HG   SER   4           HG       SER   4 -36.322   6.885   2.562
   35    HA   PRO   5           HA       PRO   5 -29.982   4.781   2.314
   36   1HB   PRO   5          1HB       PRO   5 -30.020   2.657   4.059
   37   2HB   PRO   5          2HB       PRO   5 -29.625   4.315   4.544
   38   1HG   PRO   5          2HG       PRO   5 -32.125   2.761   5.030
   39   2HG   PRO   5          1HG       PRO   5 -31.428   4.090   5.973
   40   1HD   PRO   5          1HD       PRO   5 -33.592   4.302   4.165
   41   2HD   PRO   5          2HD       PRO   5 -32.669   5.656   4.847
   42    H    ASP   6           H        ASP   6 -29.766   3.596   0.443
   43    HA   ASP   6           HA       ASP   6 -31.331   1.060   0.211
   44   1HB   ASP   6          2HB       ASP   6 -30.777   3.056  -2.007
   45   2HB   ASP   6          1HB       ASP   6 -31.600   1.508  -2.201
   46    H    ALA   7           H        ALA   7 -30.283  -0.539  -1.229
   47    HA   ALA   7           HA       ALA   7 -27.373  -0.503  -0.869
   48   1HB   ALA   7          1HB       ALA   7 -29.266  -2.524  -2.103
   49   2HB   ALA   7          3HB       ALA   7 -28.499  -2.612  -0.518
   50   3HB   ALA   7          2HB       ALA   7 -27.524  -2.767  -1.978
   51    H    LYS   8           H        LYS   8 -26.265   0.771  -2.293
   52    HA   LYS   8           HA       LYS   8 -26.079   0.098  -5.055
   53   1HB   LYS   8          1HB       LYS   8 -27.102   2.261  -5.953
   54   2HB   LYS   8          2HB       LYS   8 -28.250   1.039  -5.403
   55   1HG   LYS   8          1HG       LYS   8 -28.963   2.316  -3.662
   56   2HG   LYS   8          2HG       LYS   8 -27.337   2.900  -3.302
   57   1HD   LYS   8          1HD       LYS   8 -28.946   4.673  -4.144
   58   2HD   LYS   8          2HD       LYS   8 -27.447   4.534  -5.061
   59   1HE   LYS   8          1HE       LYS   8 -28.581   3.134  -6.733
   60   2HE   LYS   8          2HE       LYS   8 -30.081   3.233  -5.812
   61   1HZ   LYS   8          1HZ       LYS   8 -28.982   5.813  -6.293
   62   2HZ   LYS   8          2HZ       LYS   8 -29.233   4.977  -7.751
   63   3HZ   LYS   8          3HZ       LYS   8 -30.524   5.212  -6.677
   64    H    GLU   9           H        GLU   9 -23.873   0.318  -4.207
   65    HA   GLU   9           HA       GLU   9 -22.827   3.024  -4.660
   66   1HB   GLU   9          1HB       GLU   9 -23.337   2.096  -2.000
   67   2HB   GLU   9          2HB       GLU   9 -21.590   2.163  -2.233
   68   1HG   GLU   9          1HG       GLU   9 -22.698   4.494  -3.440
   69   2HG   GLU   9          2HG       GLU   9 -23.410   4.340  -1.834
   70    H    ASP  10           H        ASP  10 -20.255   2.755  -3.925
   71    HA   ASP  10           HA       ASP  10 -19.207   0.101  -4.563
   72   1HB   ASP  10          1HB       ASP  10 -19.877   1.530  -6.757
   73   2HB   ASP  10          2HB       ASP  10 -18.255   2.166  -6.480
   74    HA   PRO  11           HA       PRO  11 -16.490   2.799  -2.017
   75   1HB   PRO  11          1HB       PRO  11 -16.181   0.942  -0.011
   76   2HB   PRO  11          2HB       PRO  11 -17.489   2.136  -0.050
   77   1HG   PRO  11          2HG       PRO  11 -17.597  -0.789  -0.630
   78   2HG   PRO  11          1HG       PRO  11 -18.875   0.284  -0.036
   79   1HD   PRO  11          1HD       PRO  11 -18.602  -0.633  -2.694
   80   2HD   PRO  11          2HD       PRO  11 -19.636   0.709  -2.157
   81    H    VAL  12           H        VAL  12 -14.260   1.977  -0.988
   82    HA   VAL  12           HA       VAL  12 -12.893   0.499  -3.136
   83    HB   VAL  12           HB       VAL  12 -11.853   1.826  -0.614
   84   1HG1  VAL  12          1HG1      VAL  12 -10.467   0.411  -2.898
   85   2HG1  VAL  12          2HG1      VAL  12  -9.635   1.580  -1.873
   86   3HG1  VAL  12          3HG1      VAL  12 -10.298   0.106  -1.169
   87   1HG2  VAL  12          1HG2      VAL  12 -12.277   2.677  -3.446
   88   2HG2  VAL  12          2HG2      VAL  12 -12.392   3.622  -1.961
   89   3HG2  VAL  12          3HG2      VAL  12 -10.812   3.242  -2.643
   90    H    GLU  13           H        GLU  13 -12.194  -1.600  -2.962
   91    HA   GLU  13           HA       GLU  13 -12.348  -2.888  -0.273
   92   1HB   GLU  13          1HB       GLU  13 -13.491  -3.887  -2.888
   93   2HB   GLU  13          2HB       GLU  13 -13.186  -4.955  -1.520
   94   1HG   GLU  13          2HG       GLU  13 -15.127  -4.321  -0.585
   95   2HG   GLU  13          1HG       GLU  13 -14.550  -2.656  -0.527
   96    H    CYS  14           H        CYS  14 -10.700  -4.351   0.141
   97    HA   CYS  14           HA       CYS  14  -8.236  -4.142  -1.136
   98   1HB   CYS  14          1HB       CYS  14  -8.618  -5.257   1.056
   99   2HB   CYS  14          2HB       CYS  14  -9.317  -6.635   0.208
  100    HA   PRO  15           HA       PRO  15  -9.242  -6.316  -4.929
  101   1HB   PRO  15          1HB       PRO  15  -6.930  -5.590  -6.224
  102   2HB   PRO  15          2HB       PRO  15  -8.335  -4.521  -6.065
  103   1HG   PRO  15          2HG       PRO  15  -5.722  -4.408  -4.637
  104   2HG   PRO  15          1HG       PRO  15  -6.870  -3.103  -4.981
  105   1HD   PRO  15          1HD       PRO  15  -6.553  -4.445  -2.498
  106   2HD   PRO  15          2HD       PRO  15  -7.876  -3.343  -2.938
  107    H    LEU  16           H        LEU  16  -6.931  -6.985  -2.590
  108    HA   LEU  16           HA       LEU  16  -5.631  -9.148  -4.152
  109   1HB   LEU  16          2HB       LEU  16  -4.979  -8.654  -1.279
  110   2HB   LEU  16          1HB       LEU  16  -3.913  -9.103  -2.610
  111    HG   LEU  16           HG       LEU  16  -5.104  -6.379  -2.044
  112   1HD1  LEU  16          1HD1      LEU  16  -2.425  -7.664  -1.851
  113   2HD1  LEU  16          2HD1      LEU  16  -2.463  -6.003  -2.445
  114   3HD1  LEU  16          3HD1      LEU  16  -3.134  -6.389  -0.860
  115   1HD2  LEU  16          1HD2      LEU  16  -4.008  -7.581  -4.549
  116   2HD2  LEU  16          2HD2      LEU  16  -5.252  -6.347  -4.349
  117   3HD2  LEU  16          3HD2      LEU  16  -3.548  -5.921  -4.174
  118    H    CYS  17           H        CYS  17  -8.005  -8.662  -1.622
  119    HA   CYS  17           HA       CYS  17  -8.455 -11.599  -1.621
  120   1HB   CYS  17          1HB       CYS  17  -8.424 -11.795   0.753
  121   2HB   CYS  17          2HB       CYS  17  -6.966 -10.895   0.343
  122    H    MET  18           H        MET  18  -9.739  -8.744  -2.249
  123    HA   MET  18           HA       MET  18 -11.914  -7.894  -2.334
  124   1HB   MET  18          1HB       MET  18 -12.065 -10.676  -2.768
  125   2HB   MET  18          2HB       MET  18 -13.370 -10.295  -1.642
  126   1HG   MET  18          1HG       MET  18 -13.606  -8.221  -3.386
  127   2HG   MET  18          2HG       MET  18 -13.015  -9.482  -4.468
  128   1HE   MET  18          1HE       MET  18 -15.315  -8.446  -5.342
  129   2HE   MET  18          2HE       MET  18 -15.185 -10.100  -5.952
  130   3HE   MET  18          3HE       MET  18 -16.715  -9.514  -5.307
  131    H    GLU  19           H        GLU  19 -12.655  -6.613  -0.724
  132    HA   GLU  19           HA       GLU  19 -14.113  -7.498   1.514
  133   1HB   GLU  19          1HB       GLU  19 -11.422  -8.078   1.897
  134   2HB   GLU  19          2HB       GLU  19 -11.641  -6.562   2.769
  135   1HG   GLU  19          1HG       GLU  19 -12.942  -7.526   4.358
  136   2HG   GLU  19          2HG       GLU  19 -13.826  -8.489   3.174
  137    HA   PRO  20           HA       PRO  20 -14.763  -3.151   1.540
  138   1HB   PRO  20          1HB       PRO  20 -16.198  -2.995   3.875
  139   2HB   PRO  20          2HB       PRO  20 -16.864  -3.622   2.358
  140   1HG   PRO  20          2HG       PRO  20 -16.020  -5.117   4.797
  141   2HG   PRO  20          1HG       PRO  20 -17.217  -5.561   3.568
  142   1HD   PRO  20          1HD       PRO  20 -14.580  -6.576   3.756
  143   2HD   PRO  20          2HD       PRO  20 -15.670  -6.749   2.363
  144    H    LEU  21           H        LEU  21 -13.002  -1.858   1.989
  145    HA   LEU  21           HA       LEU  21 -11.454  -2.124   4.444
  146   1HB   LEU  21          1HB       LEU  21 -11.426  -0.040   2.240
  147   2HB   LEU  21          2HB       LEU  21 -10.269  -0.093   3.570
  148    HG   LEU  21           HG       LEU  21 -10.499  -2.696   2.322
  149   1HD1  LEU  21          1HD1      LEU  21 -10.944  -0.735   0.470
  150   2HD1  LEU  21          2HD1      LEU  21  -9.184  -0.839   0.433
  151   3HD1  LEU  21          3HD1      LEU  21 -10.159  -2.271   0.106
  152   1HD2  LEU  21          1HD2      LEU  21  -8.646  -1.364   3.729
  153   2HD2  LEU  21          2HD2      LEU  21  -8.212  -2.662   2.617
  154   3HD2  LEU  21          3HD2      LEU  21  -8.069  -0.978   2.108
  155    H    GLU  22           H        GLU  22 -11.731  -0.954   6.323
  156    HA   GLU  22           HA       GLU  22 -14.124   0.521   6.794
  157   1HB   GLU  22          1HB       GLU  22 -11.480   0.709   8.275
  158   2HB   GLU  22          2HB       GLU  22 -13.044   1.247   8.887
  159   1HG   GLU  22          1HG       GLU  22 -13.885  -1.108   8.625
  160   2HG   GLU  22          2HG       GLU  22 -12.243  -1.595   8.205
  161    H    ILE  23           H        ILE  23 -13.267   2.942   7.992
  162    HA   ILE  23           HA       ILE  23 -12.937   4.583   5.598
  163    HB   ILE  23           HB       ILE  23 -13.142   5.223   8.550
  164   1HG1  ILE  23          1HG1      ILE  23 -15.277   6.299   7.739
  165   2HG1  ILE  23          2HG1      ILE  23 -14.958   5.603   6.149
  166   1HG2  ILE  23          1HG2      ILE  23 -11.663   6.864   7.396
  167   2HG2  ILE  23          2HG2      ILE  23 -12.950   7.168   6.229
  168   3HG2  ILE  23          3HG2      ILE  23 -13.181   7.589   7.927
  169   1HD1  ILE  23          1HD1      ILE  23 -14.917   3.821   8.563
  170   2HD1  ILE  23          2HD1      ILE  23 -16.467   4.295   7.869
  171   3HD1  ILE  23          3HD1      ILE  23 -15.293   3.418   6.888
  172    H    ASP  24           H        ASP  24 -10.995   4.014   8.547
  173    HA   ASP  24           HA       ASP  24  -8.725   5.493   7.450
  174   1HB   ASP  24          1HB       ASP  24  -9.520   4.468  10.006
  175   2HB   ASP  24          2HB       ASP  24  -7.917   3.841   9.625
  176    H    ASP  25           H        ASP  25  -9.965   2.628   6.558
  177    HA   ASP  25           HA       ASP  25  -7.328   1.257   6.319
  178   1HB   ASP  25          1HB       ASP  25 -10.162   0.261   5.908
  179   2HB   ASP  25          2HB       ASP  25  -8.721  -0.707   5.597
  180    H    ILE  26           H        ILE  26  -9.394   3.262   4.577
  181    HA   ILE  26           HA       ILE  26  -8.987   2.073   1.944
  182    HB   ILE  26           HB       ILE  26 -10.031   4.757   2.876
  183   1HG1  ILE  26          1HG1      ILE  26 -11.327   2.342   1.572
  184   2HG1  ILE  26          2HG1      ILE  26 -11.497   2.822   3.261
  185   1HG2  ILE  26          1HG2      ILE  26  -9.667   3.672   0.072
  186   2HG2  ILE  26          2HG2      ILE  26 -10.731   5.022   0.461
  187   3HG2  ILE  26          3HG2      ILE  26  -8.996   5.160   0.738
  188   1HD1  ILE  26          1HD1      ILE  26 -12.144   5.136   1.868
  189   2HD1  ILE  26          2HD1      ILE  26 -12.866   3.856   0.894
  190   3HD1  ILE  26          3HD1      ILE  26 -13.296   4.017   2.596
  191    H    ASN  27           H        ASN  27  -7.936   5.248   3.251
  192    HA   ASN  27           HA       ASN  27  -5.942   5.699   1.277
  193   1HB   ASN  27          1HB       ASN  27  -6.650   7.529   2.675
  194   2HB   ASN  27          2HB       ASN  27  -6.159   6.674   4.137
  195   2HD2  ASN  27          2HD2      ASN  27  -4.957   8.475   1.339
  196   1HD2  ASN  27          1HD2      ASN  27  -3.361   8.627   1.896
  197    H    PHE  28           H        PHE  28  -5.991   3.475   3.882
  198    HA   PHE  28           HA       PHE  28  -3.147   3.329   4.371
  199   1HB   PHE  28          1HB       PHE  28  -4.425   2.358   6.080
  200   2HB   PHE  28          2HB       PHE  28  -5.513   1.561   4.946
  201    HD1  PHE  28           HD1      PHE  28  -1.775   1.621   5.367
  202    HD2  PHE  28           HD2      PHE  28  -5.344  -0.754   5.095
  203    HE1  PHE  28           HE1      PHE  28  -0.409  -0.447   5.489
  204    HE2  PHE  28           HE2      PHE  28  -3.979  -2.819   5.217
  205    HZ   PHE  28           HZ       PHE  28  -1.513  -2.667   5.413
  206    H    PHE  29           H        PHE  29  -2.063   3.164   2.348
  207    HA   PHE  29           HA       PHE  29  -2.578   0.603   0.896
  208   1HB   PHE  29          1HB       PHE  29  -1.582   1.911  -1.118
  209   2HB   PHE  29          2HB       PHE  29  -3.250   2.245  -0.660
  210    HD1  PHE  29           HD1      PHE  29   0.254   3.402   0.009
  211    HD2  PHE  29           HD2      PHE  29  -3.913   4.436  -0.193
  212    HE1  PHE  29           HE1      PHE  29   0.824   5.786   0.398
  213    HE2  PHE  29           HE2      PHE  29  -3.342   6.817   0.195
  214    HZ   PHE  29           HZ       PHE  29  -0.972   7.492   0.490
  215    HA   PRO  30           HA       PRO  30   1.694  -0.144   1.720
  216   1HB   PRO  30          1HB       PRO  30   1.968  -2.317   0.058
  217   2HB   PRO  30          2HB       PRO  30   1.159  -2.391   1.633
  218   1HG   PRO  30          2HG       PRO  30  -0.040  -2.427  -1.094
  219   2HG   PRO  30          1HG       PRO  30  -0.684  -3.077   0.423
  220   1HD   PRO  30          1HD       PRO  30  -1.459  -0.641  -0.817
  221   2HD   PRO  30          2HD       PRO  30  -1.881  -1.167   0.826
  222    H    CYS  31           H        CYS  31   0.430   1.058  -1.146
  223    HA   CYS  31           HA       CYS  31   3.161   1.570  -2.201
  224   1HB   CYS  31          1HB       CYS  31   2.175  -0.414  -3.402
  225   2HB   CYS  31          2HB       CYS  31   0.876   0.641  -3.961
  226    H    THR  32           H        THR  32   3.153   3.394  -3.772
  227    HA   THR  32           HA       THR  32   1.162   5.416  -2.951
  228    HB   THR  32           HB       THR  32   3.650   5.885  -3.028
  229    HG1  THR  32           HG1      THR  32   2.097   7.481  -4.777
  230   1HG2  THR  32          1HG2      THR  32   3.458   4.719  -5.533
  231   2HG2  THR  32          2HG2      THR  32   3.576   6.439  -5.903
  232   3HG2  THR  32          3HG2      THR  32   4.831   5.654  -4.942
  233    H    CYS  33           H        CYS  33   1.391   3.163  -5.437
  234    HA   CYS  33           HA       CYS  33   0.449   4.835  -7.619
  235   1HB   CYS  33          2HB       CYS  33   0.137   2.786  -8.842
  236   2HB   CYS  33          1HB       CYS  33   1.625   2.621  -7.912
  237    H    GLY  34           H        GLY  34  -1.045   3.534  -4.844
  238   1HA   GLY  34          2HA       GLY  34  -3.694   4.287  -5.971
  239   2HA   GLY  34          1HA       GLY  34  -3.300   4.232  -4.254
  240    H    TYR  35           H        TYR  35  -1.890   1.525  -4.977
  241    HA   TYR  35           HA       TYR  35  -4.270  -0.157  -5.473
  242   1HB   TYR  35          1HB       TYR  35  -1.762  -0.515  -6.309
  243   2HB   TYR  35          2HB       TYR  35  -1.615  -1.331  -4.753
  244    HD1  TYR  35           HD1      TYR  35  -4.346  -1.080  -7.320
  245    HD2  TYR  35           HD2      TYR  35  -1.810  -3.642  -4.983
  246    HE1  TYR  35           HE1      TYR  35  -5.497  -3.069  -8.252
  247    HE2  TYR  35           HE2      TYR  35  -2.961  -5.632  -5.917
  248    HH   TYR  35           HH       TYR  35  -4.770  -6.329  -7.086
  249    H    GLN  36           H        GLN  36  -4.308   1.376  -3.074
  250    HA   GLN  36           HA       GLN  36  -3.419   0.319  -0.704
  251   1HB   GLN  36          1HB       GLN  36  -6.156   0.666  -0.161
  252   2HB   GLN  36          2HB       GLN  36  -4.880   1.853   0.072
  253   1HG   GLN  36          1HG       GLN  36  -5.222   2.719  -2.183
  254   2HG   GLN  36          2HG       GLN  36  -6.416   1.463  -2.515
  255   2HE2  GLN  36          2HE2      GLN  36  -6.065   4.659  -1.405
  256   1HE2  GLN  36          1HE2      GLN  36  -7.595   4.837  -0.690
  257    H    ILE  37           H        ILE  37  -3.981  -1.370   0.695
  258    HA   ILE  37           HA       ILE  37  -5.840  -3.429  -0.404
  259    HB   ILE  37           HB       ILE  37  -4.310  -5.195   0.110
  260   1HG1  ILE  37          1HG1      ILE  37  -2.457  -3.106   1.298
  261   2HG1  ILE  37          2HG1      ILE  37  -3.502  -4.159   2.256
  262   1HG2  ILE  37          1HG2      ILE  37  -3.050  -2.833  -1.276
  263   2HG2  ILE  37          2HG2      ILE  37  -2.167  -4.349  -1.097
  264   3HG2  ILE  37          3HG2      ILE  37  -3.690  -4.316  -1.985
  265   1HD1  ILE  37          1HD1      ILE  37  -1.752  -5.461   0.222
  266   2HD1  ILE  37          2HD1      ILE  37  -0.971  -4.833   1.672
  267   3HD1  ILE  37          3HD1      ILE  37  -2.249  -6.040   1.811
  268    H    CYS  38           H        CYS  38  -5.832  -5.219   1.666
  269    HA   CYS  38           HA       CYS  38  -6.997  -3.584   3.830
  270   1HB   CYS  38          2HB       CYS  38  -8.073  -5.579   4.573
  271   2HB   CYS  38          1HB       CYS  38  -8.170  -5.612   2.815
  272    H    ARG  39           H        ARG  39  -6.602  -5.057   6.084
  273    HA   ARG  39           HA       ARG  39  -3.740  -4.584   6.596
  274   1HB   ARG  39          1HB       ARG  39  -6.180  -5.061   8.254
  275   2HB   ARG  39          2HB       ARG  39  -4.615  -5.475   8.958
  276   1HG   ARG  39          1HG       ARG  39  -4.200  -3.305   9.367
  277   2HG   ARG  39          2HG       ARG  39  -4.386  -2.933   7.653
  278   1HD   ARG  39          1HD       ARG  39  -6.469  -2.094   7.949
  279   2HD   ARG  39          2HD       ARG  39  -6.941  -3.423   9.009
  280    HE   ARG  39           HE       ARG  39  -6.730  -1.734  10.657
  281   1HH1  ARG  39          1HH1      ARG  39  -4.274  -2.169  11.705
  282   2HH1  ARG  39          2HH1      ARG  39  -3.241  -0.873  11.203
  283   1HH2  ARG  39          1HH2      ARG  39  -5.309   0.123   8.606
  284   2HH2  ARG  39          2HH2      ARG  39  -3.826   0.424   9.448
  285    H    PHE  40           H        PHE  40  -5.964  -7.308   6.347
  286    HA   PHE  40           HA       PHE  40  -4.123  -9.264   7.413
  287   1HB   PHE  40          1HB       PHE  40  -6.812  -9.208   6.486
  288   2HB   PHE  40          2HB       PHE  40  -5.966 -10.458   5.573
  289    HD1  PHE  40           HD1      PHE  40  -6.407  -9.179   9.070
  290    HD2  PHE  40           HD2      PHE  40  -5.591 -12.554   6.541
  291    HE1  PHE  40           HE1      PHE  40  -6.465 -10.673  11.048
  292    HE2  PHE  40           HE2      PHE  40  -5.648 -14.049   8.519
  293    HZ   PHE  40           HZ       PHE  40  -6.084 -13.109  10.772
  294    H    CYS  41           H        CYS  41  -4.316  -7.636   4.399
  295    HA   CYS  41           HA       CYS  41  -2.872  -9.769   2.946
  296   1HB   CYS  41          1HB       CYS  41  -4.173  -7.177   2.198
  297   2HB   CYS  41          2HB       CYS  41  -2.891  -7.799   1.159
  298    H    TRP  42           H        TRP  42  -2.350  -6.356   3.874
  299    HA   TRP  42           HA       TRP  42   0.394  -6.274   3.034
  300   1HB   TRP  42          1HB       TRP  42  -0.910  -4.227   3.436
  301   2HB   TRP  42          2HB       TRP  42  -1.052  -4.640   5.143
  302    HD1  TRP  42           HD1      TRP  42   1.718  -3.930   2.539
  303    HE1  TRP  42           HE1      TRP  42   3.698  -2.820   3.762
  304    HE3  TRP  42           HE3      TRP  42  -0.002  -4.110   7.342
  305    HZ2  TRP  42           HZ2      TRP  42   4.452  -2.102   6.430
  306    HZ3  TRP  42           HZ3      TRP  42   1.364  -3.209   9.204
  307    HH2  TRP  42           HH2      TRP  42   3.586  -2.206   8.755
  308    H    HIS  43           H        HIS  43  -1.173  -7.619   5.803
  309    HA   HIS  43           HA       HIS  43   1.131  -7.564   7.568
  310   1HB   HIS  43          1HB       HIS  43  -1.609  -8.641   7.608
  311   2HB   HIS  43          2HB       HIS  43  -0.435  -9.641   8.464
  312    HD1  HIS  43           HD1      HIS  43  -1.230  -8.972  10.823
  313    HD2  HIS  43           HD2      HIS  43  -0.097  -5.713   8.481
  314    HE1  HIS  43           HE1      HIS  43  -1.105  -6.978  12.381
  315    H    ARG  44           H        ARG  44   0.092  -9.600   4.956
  316    HA   ARG  44           HA       ARG  44   2.073 -11.680   5.759
  317   1HB   ARG  44          1HB       ARG  44  -0.516 -11.757   4.462
  318   2HB   ARG  44          2HB       ARG  44   0.705 -12.532   3.453
  319   1HG   ARG  44          1HG       ARG  44   1.159 -14.175   5.016
  320   2HG   ARG  44          2HG       ARG  44   0.701 -13.152   6.377
  321   1HD   ARG  44          1HD       ARG  44  -1.695 -13.297   5.516
  322   2HD   ARG  44          2HD       ARG  44  -1.130 -14.565   4.427
  323    HE   ARG  44           HE       ARG  44  -1.582 -14.860   7.278
  324   1HH1  ARG  44          1HH1      ARG  44   0.599 -15.974   8.075
  325   2HH1  ARG  44          2HH1      ARG  44   0.892 -17.451   7.219
  326   1HH2  ARG  44          1HH2      ARG  44  -1.322 -16.713   4.653
  327   2HH2  ARG  44          2HH2      ARG  44  -0.196 -17.868   5.282
  328    H    ILE  45           H        ILE  45   1.517  -9.129   3.497
  329    HA   ILE  45           HA       ILE  45   3.270 -10.135   1.412
  330    HB   ILE  45           HB       ILE  45   2.173  -7.388   2.055
  331   1HG1  ILE  45          1HG1      ILE  45   1.668  -8.994  -0.432
  332   2HG1  ILE  45          2HG1      ILE  45   0.832  -9.436   1.057
  333   1HG2  ILE  45          1HG2      ILE  45   4.360  -8.195   0.258
  334   2HG2  ILE  45          2HG2      ILE  45   3.080  -7.286  -0.546
  335   3HG2  ILE  45          3HG2      ILE  45   3.918  -6.590   0.840
  336   1HD1  ILE  45          1HD1      ILE  45   0.737  -6.575   0.705
  337   2HD1  ILE  45          2HD1      ILE  45   0.136  -7.373  -0.747
  338   3HD1  ILE  45          3HD1      ILE  45  -0.601  -7.719   0.817
  339    H    ARG  46           H        ARG  46   3.665  -7.897   4.151
  340    HA   ARG  46           HA       ARG  46   6.545  -7.615   3.547
  341   1HB   ARG  46          1HB       ARG  46   4.591  -6.056   4.917
  342   2HB   ARG  46          2HB       ARG  46   5.828  -6.504   6.092
  343   1HG   ARG  46          1HG       ARG  46   7.561  -5.749   4.402
  344   2HG   ARG  46          2HG       ARG  46   6.233  -5.086   3.449
  345   1HD   ARG  46          1HD       ARG  46   6.421  -3.216   4.698
  346   2HD   ARG  46          2HD       ARG  46   5.742  -4.151   6.030
  347    HE   ARG  46           HE       ARG  46   8.693  -4.020   5.558
  348   1HH1  ARG  46          1HH1      ARG  46   9.188  -5.315   7.645
  349   2HH1  ARG  46          2HH1      ARG  46   8.618  -4.521   9.075
  350   1HH2  ARG  46          1HH2      ARG  46   6.519  -2.359   7.358
  351   2HH2  ARG  46          2HH2      ARG  46   7.108  -2.847   8.912
  352    H    THR  47           H        THR  47   5.413 -10.248   4.326
  353    HA   THR  47           HA       THR  47   7.209 -10.729   6.650
  354    HB   THR  47           HB       THR  47   4.551 -12.129   6.510
  355    HG1  THR  47           HG1      THR  47   4.068 -10.368   8.167
  356   1HG2  THR  47          1HG2      THR  47   6.544 -11.438   8.677
  357   2HG2  THR  47          2HG2      THR  47   4.956 -12.125   9.011
  358   3HG2  THR  47          3HG2      THR  47   6.132 -13.041   8.069
  359    H    ASP  48           H        ASP  48   5.316 -12.086   3.974
  360    HA   ASP  48           HA       ASP  48   7.294 -14.329   3.859
  361   1HB   ASP  48          1HB       ASP  48   4.860 -14.905   4.464
  362   2HB   ASP  48          2HB       ASP  48   4.467 -14.472   2.800
  363    H    GLU  49           H        GLU  49   5.866 -11.667   2.237
  364    HA   GLU  49           HA       GLU  49   6.829 -12.657  -0.403
  365   1HB   GLU  49          1HB       GLU  49   4.533 -11.202   0.371
  366   2HB   GLU  49          2HB       GLU  49   5.555 -10.065  -0.507
  367   1HG   GLU  49          1HG       GLU  49   5.234 -11.129  -2.483
  368   2HG   GLU  49          2HG       GLU  49   5.425 -12.723  -1.753
  369    H    ASN  50           H        ASN  50   7.286 -10.118  -1.580
  370    HA   ASN  50           HA       ASN  50   9.793  -9.370  -0.155
  371   1HB   ASN  50          1HB       ASN  50  10.222  -8.195  -2.443
  372   2HB   ASN  50          2HB       ASN  50  10.339  -9.953  -2.367
  373   2HD2  ASN  50          2HD2      ASN  50   9.640 -10.391  -4.532
  374   1HD2  ASN  50          1HD2      ASN  50   8.077 -10.027  -5.084
  375    H    GLY  51           H        GLY  51   6.828  -8.382   0.157
  376   1HA   GLY  51          2HA       GLY  51   7.438  -5.747   1.014
  377   2HA   GLY  51          1HA       GLY  51   5.807  -6.337   0.691
  378    H    LEU  52           H        LEU  52   6.324  -6.962  -2.112
  379    HA   LEU  52           HA       LEU  52   6.914  -4.266  -3.238
  380   1HB   LEU  52          1HB       LEU  52   6.774  -7.011  -4.514
  381   2HB   LEU  52          2HB       LEU  52   6.979  -5.522  -5.433
  382    HG   LEU  52           HG       LEU  52   8.865  -6.742  -3.413
  383   1HD1  LEU  52          1HD1      LEU  52   9.035  -5.887  -6.312
  384   2HD1  LEU  52          2HD1      LEU  52  10.459  -6.287  -5.349
  385   3HD1  LEU  52          3HD1      LEU  52   9.227  -7.513  -5.654
  386   1HD2  LEU  52          1HD2      LEU  52   8.691  -3.899  -4.424
  387   2HD2  LEU  52          2HD2      LEU  52   8.859  -4.457  -2.760
  388   3HD2  LEU  52          3HD2      LEU  52  10.217  -4.591  -3.877
  389    H    CYS  53           H        CYS  53   5.507  -3.685  -5.171
  390    HA   CYS  53           HA       CYS  53   2.679  -4.006  -4.383
  391   1HB   CYS  53          1HB       CYS  53   3.604  -1.759  -4.952
  392   2HB   CYS  53          2HB       CYS  53   3.888  -2.327  -6.595
  393    HA   PRO  54           HA       PRO  54   2.367  -7.138  -7.575
  394   1HB   PRO  54          1HB       PRO  54  -0.156  -7.948  -6.851
  395   2HB   PRO  54          2HB       PRO  54   1.313  -8.474  -6.012
  396   1HG   PRO  54          2HG       PRO  54  -0.749  -6.511  -5.129
  397   2HG   PRO  54          1HG       PRO  54   0.341  -7.510  -4.152
  398   1HD   PRO  54          1HD       PRO  54   0.673  -4.754  -4.732
  399   2HD   PRO  54          2HD       PRO  54   1.893  -5.830  -4.020
  400    H    ALA  55           H        ALA  55   1.048  -4.146  -7.436
  401    HA   ALA  55           HA       ALA  55  -0.801  -4.652  -9.732
  402   1HB   ALA  55          1HB       ALA  55  -0.853  -2.628  -7.506
  403   2HB   ALA  55          3HB       ALA  55  -1.673  -2.294  -9.032
  404   3HB   ALA  55          2HB       ALA  55  -2.143  -3.692  -8.064
  405    H    CYS  56           H        CYS  56   1.934  -2.765  -8.567
  406    HA   CYS  56           HA       CYS  56   2.327  -1.832 -11.362
  407   1HB   CYS  56          2HB       CYS  56   2.474   0.426 -10.824
  408   2HB   CYS  56          1HB       CYS  56   1.203  -0.096  -9.723
  409    H    ARG  57           H        ARG  57   3.592  -3.689  -9.136
  410    HA   ARG  57           HA       ARG  57   5.777  -4.282  -8.475
  411   1HB   ARG  57          2HB       ARG  57   6.567  -2.931 -11.071
  412   2HB   ARG  57          1HB       ARG  57   7.392  -4.259 -10.254
  413   1HG   ARG  57          1HG       ARG  57   4.594  -4.405 -11.418
  414   2HG   ARG  57          2HG       ARG  57   6.045  -5.062 -12.178
  415   1HD   ARG  57          1HD       ARG  57   6.319  -6.259  -9.819
  416   2HD   ARG  57          2HD       ARG  57   4.572  -6.022  -9.757
  417    HE   ARG  57           HE       ARG  57   5.559  -7.227 -12.249
  418   1HH1  ARG  57          1HH1      ARG  57   5.801  -8.519  -9.265
  419   2HH1  ARG  57          2HH1      ARG  57   4.586  -9.741  -9.451
  420   1HH2  ARG  57          1HH2      ARG  57   3.352  -8.437 -12.417
  421   2HH2  ARG  57          2HH2      ARG  57   3.201  -9.694 -11.235
  422    H    LYS  58           H        LYS  58   5.688  -2.648  -6.743
  423    HA   LYS  58           HA       LYS  58   7.821  -0.630  -7.077
  424   1HB   LYS  58          1HB       LYS  58   4.929  -0.013  -6.599
  425   2HB   LYS  58          2HB       LYS  58   6.142   0.969  -5.778
  426   1HG   LYS  58          1HG       LYS  58   6.173   0.440  -8.760
  427   2HG   LYS  58          2HG       LYS  58   5.416   1.859  -8.036
  428   1HD   LYS  58          1HD       LYS  58   7.610   2.403  -6.946
  429   2HD   LYS  58          2HD       LYS  58   8.336   1.071  -7.844
  430   1HE   LYS  58          1HE       LYS  58   7.713   2.125  -9.966
  431   2HE   LYS  58          2HE       LYS  58   6.915   3.436  -9.100
  432   1HZ   LYS  58          1HZ       LYS  58   9.732   2.827  -8.523
  433   2HZ   LYS  58          2HZ       LYS  58   9.344   3.716  -9.918
  434   3HZ   LYS  58          3HZ       LYS  58   8.899   4.303  -8.390
  435    HA   PRO  59           HA       PRO  59   8.594  -2.029  -3.000
  436   1HB   PRO  59          1HB       PRO  59  10.243   0.022  -2.171
  437   2HB   PRO  59          2HB       PRO  59  10.758  -1.272  -3.266
  438   1HG   PRO  59          2HG       PRO  59  10.098   1.570  -3.895
  439   2HG   PRO  59          1HG       PRO  59  11.192   0.459  -4.737
  440   1HD   PRO  59          1HD       PRO  59   8.583   1.141  -5.576
  441   2HD   PRO  59          2HD       PRO  59   9.536  -0.235  -6.173
  442    H    TYR  60           H        TYR  60   7.116  -1.901  -1.370
  443    HA   TYR  60           HA       TYR  60   5.256   0.109  -0.907
  444   1HB   TYR  60          1HB       TYR  60   6.576  -1.771   1.067
  445   2HB   TYR  60          2HB       TYR  60   5.210  -0.741   1.489
  446    HD1  TYR  60           HD1      TYR  60   4.821  -1.468  -1.901
  447    HD2  TYR  60           HD2      TYR  60   4.469  -3.328   1.958
  448    HE1  TYR  60           HE1      TYR  60   3.260  -3.142  -2.848
  449    HE2  TYR  60           HE2      TYR  60   2.908  -5.001   1.007
  450    HH   TYR  60           HH       TYR  60   1.882  -5.729  -0.811
  451    HA   PRO  61           HA       PRO  61   7.474   3.475   0.815
  452   1HB   PRO  61          1HB       PRO  61   5.399   4.695   2.142
  453   2HB   PRO  61          2HB       PRO  61   5.602   4.745   0.382
  454   1HG   PRO  61          2HG       PRO  61   3.655   3.173   2.002
  455   2HG   PRO  61          1HG       PRO  61   3.525   3.736   0.327
  456   1HD   PRO  61          1HD       PRO  61   4.171   1.102   1.151
  457   2HD   PRO  61          2HD       PRO  61   4.337   1.758  -0.492
  458    H    GLU  62           H        GLU  62   8.706   3.733   2.645
  459    HA   GLU  62           HA       GLU  62   7.615   2.879   5.269
  460   1HB   GLU  62          1HB       GLU  62   9.764   1.534   3.770
  461   2HB   GLU  62          2HB       GLU  62  10.207   1.962   5.423
  462   1HG   GLU  62          1HG       GLU  62   7.560   0.644   4.866
  463   2HG   GLU  62          2HG       GLU  62   9.026  -0.329   4.996
  464    H    ASP  63           H        ASP  63   9.947   3.261   6.766
  465    HA   ASP  63           HA       ASP  63  10.299   6.183   6.420
  466   1HB   ASP  63          1HB       ASP  63   9.915   4.557   8.666
  467   2HB   ASP  63          2HB       ASP  63  11.611   5.038   8.749
  468    HA   PRO  64           HA       PRO  64  14.369   5.394   4.825
  469   1HB   PRO  64          1HB       PRO  64  15.116   8.033   4.647
  470   2HB   PRO  64          2HB       PRO  64  14.040   7.243   3.480
  471   1HG   PRO  64          2HG       PRO  64  13.365   9.187   5.639
  472   2HG   PRO  64          1HG       PRO  64  12.523   8.868   4.113
  473   1HD   PRO  64          1HD       PRO  64  11.747   7.924   6.667
  474   2HD   PRO  64          2HD       PRO  64  11.117   7.355   5.106
  475    H    ALA  65           H        ALA  65  13.565   6.778   7.836
  476    HA   ALA  65           HA       ALA  65  16.076   7.682   8.803
  477   1HB   ALA  65          1HB       ALA  65  14.172   8.150  10.147
  478   2HB   ALA  65          3HB       ALA  65  15.104   6.980  11.080
  479   3HB   ALA  65          2HB       ALA  65  13.681   6.457  10.179
  480    H    VAL  66           H        VAL  66  14.784   4.773  10.314
  481    HA   VAL  66           HA       VAL  66  15.923   2.810  10.950
  482    HB   VAL  66           HB       VAL  66  17.349   2.897   8.309
  483   1HG1  VAL  66          1HG1      VAL  66  15.912   0.791   9.946
  484   2HG1  VAL  66          2HG1      VAL  66  16.563   0.496   8.333
  485   3HG1  VAL  66          3HG1      VAL  66  17.647   0.918   9.659
  486   1HG2  VAL  66          1HG2      VAL  66  14.367   2.690   8.757
  487   2HG2  VAL  66          2HG2      VAL  66  15.228   3.742   7.633
  488   3HG2  VAL  66          3HG2      VAL  66  15.146   2.006   7.330
  489    H    TYR  67           H        TYR  67  17.237   5.521  11.283
  490    HA   TYR  67           HA       TYR  67  20.003   5.468  10.826
  491   1HB   TYR  67          1HB       TYR  67  20.178   7.174  12.434
  492   2HB   TYR  67          2HB       TYR  67  18.500   7.305  11.913
  493    HD1  TYR  67           HD1      TYR  67  20.710   5.854  14.540
  494    HD2  TYR  67           HD2      TYR  67  16.708   6.973  13.448
  495    HE1  TYR  67           HE1      TYR  67  19.963   5.453  16.869
  496    HE2  TYR  67           HE2      TYR  67  15.962   6.571  15.779
  497    HH   TYR  67           HH       TYR  67  18.278   5.631  18.314
  498    H    LYS  68           H        LYS  68  21.700   4.353  11.719
  499    HA   LYS  68           HA       LYS  68  21.017   2.300  13.752
  500   1HB   LYS  68          1HB       LYS  68  22.493   2.119  11.449
  501   2HB   LYS  68          2HB       LYS  68  23.757   2.357  12.655
  502   1HG   LYS  68          2HG       LYS  68  23.412  -0.005  12.529
  503   2HG   LYS  68          1HG       LYS  68  22.621   0.520  14.016
  504   1HD   LYS  68          1HD       LYS  68  20.453   0.478  12.972
  505   2HD   LYS  68          2HD       LYS  68  21.165   0.229  11.377
  506   1HE   LYS  68          1HE       LYS  68  20.228  -1.860  12.504
  507   2HE   LYS  68          2HE       LYS  68  21.896  -1.976  11.943
  508   1HZ   LYS  68          1HZ       LYS  68  21.248  -1.132  14.700
  509   2HZ   LYS  68          2HZ       LYS  68  21.390  -2.774  14.286
  510   3HZ   LYS  68          3HZ       LYS  68  22.716  -1.734  14.093
  511    HA   PRO  69           HA       PRO  69  23.029   4.929  16.724
  512   1HB   PRO  69          1HB       PRO  69  22.740   3.212  18.852
  513   2HB   PRO  69          2HB       PRO  69  21.430   4.234  18.234
  514   1HG   PRO  69          2HG       PRO  69  21.831   1.297  17.906
  515   2HG   PRO  69          1HG       PRO  69  20.326   2.232  17.899
  516   1HD   PRO  69          1HD       PRO  69  21.667   1.243  15.614
  517   2HD   PRO  69          2HD       PRO  69  20.373   2.460  15.617
  518    H    LEU  70           H        LEU  70  23.755   1.655  17.869
  519    HA   LEU  70           HA       LEU  70  25.802   0.524  18.103
  520   1HB   LEU  70          1HB       LEU  70  26.087   2.115  15.652
  521   2HB   LEU  70          2HB       LEU  70  27.623   1.802  16.459
  522    HG   LEU  70           HG       LEU  70  25.625  -0.411  16.009
  523   1HD1  LEU  70          1HD1      LEU  70  27.160   1.034  14.010
  524   2HD1  LEU  70          2HD1      LEU  70  27.660  -0.655  14.094
  525   3HD1  LEU  70          3HD1      LEU  70  25.972  -0.251  13.787
  526   1HD2  LEU  70          1HD2      LEU  70  28.522  -0.142  16.744
  527   2HD2  LEU  70          2HD2      LEU  70  27.284  -1.179  17.455
  528   3HD2  LEU  70          3HD2      LEU  70  27.992  -1.593  15.893
  529    H    SER  71           H        SER  71  28.416   1.498  18.121
  530    HA   SER  71           HA       SER  71  28.644   2.717  20.644
  531   1HB   SER  71          1HB       SER  71  30.947   3.525  19.588
  532   2HB   SER  71          2HB       SER  71  30.656   1.821  19.931
  533    HG   SER  71           HG       SER  71  31.389   2.641  17.695
  534    H    GLN  72           H        GLN  72  28.945   4.881  21.310
  535    HA   GLN  72           HA       GLN  72  27.736   6.886  19.512
  536   1HB   GLN  72          1HB       GLN  72  28.541   6.904  22.429
  537   2HB   GLN  72          2HB       GLN  72  27.969   8.351  21.595
  538   1HG   GLN  72          1HG       GLN  72  25.832   7.416  21.196
  539   2HG   GLN  72          2HG       GLN  72  26.391   5.779  21.538
  540   2HE2  GLN  72          2HE2      GLN  72  27.678   6.010  23.973
  541   1HE2  GLN  72          1HE2      GLN  72  26.614   6.592  25.160
  542    H    GLU  73           H        GLU  73  30.068   6.248  18.358
  543    HA   GLU  73           HA       GLU  73  32.051   7.224  17.559
  544   1HB   GLU  73          1HB       GLU  73  30.553   9.433  18.798
  545   2HB   GLU  73          2HB       GLU  73  32.297   9.690  18.771
  546   1HG   GLU  73          2HG       GLU  73  31.657  10.533  16.686
  547   2HG   GLU  73          1HG       GLU  73  32.104   8.875  16.285
  548    H    GLU  74           H        GLU  74  34.230   8.027  18.416
  549    HA   GLU  74           HA       GLU  74  34.595   7.439  21.307
  550   1HB   GLU  74          1HB       GLU  74  36.756   6.166  20.454
  551   2HB   GLU  74          2HB       GLU  74  35.205   5.332  20.547
  552   1HG   GLU  74          1HG       GLU  74  35.562   6.775  18.023
  553   2HG   GLU  74          2HG       GLU  74  36.786   5.529  18.278
  554    H    LEU  75           H        LEU  75  37.319   7.559  19.133
  555    HA   LEU  75           HA       LEU  75  39.009   9.165  18.886
  556   1HB   LEU  75          2HB       LEU  75  36.792  11.127  19.535
  557   2HB   LEU  75          1HB       LEU  75  38.313  11.492  18.720
  558    HG   LEU  75           HG       LEU  75  36.670   9.323  17.525
  559   1HD1  LEU  75          1HD1      LEU  75  35.197  11.414  18.268
  560   2HD1  LEU  75          2HD1      LEU  75  35.915  12.135  16.829
  561   3HD1  LEU  75          3HD1      LEU  75  34.966  10.655  16.693
  562   1HD2  LEU  75          1HD2      LEU  75  38.894  10.866  16.835
  563   2HD2  LEU  75          2HD2      LEU  75  37.987   9.809  15.752
  564   3HD2  LEU  75          3HD2      LEU  75  37.592  11.525  15.846
  565    H    GLN  76           H        GLN  76  40.071  11.067  20.169
  566    HA   GLN  76           HA       GLN  76  40.794  11.992  22.217
  567   1HB   GLN  76          1HB       GLN  76  38.254  11.705  22.814
  568   2HB   GLN  76          2HB       GLN  76  38.819  10.310  23.733
  569   1HG   GLN  76          1HG       GLN  76  40.169  11.629  25.145
  570   2HG   GLN  76          2HG       GLN  76  40.157  12.993  24.027
  571   2HE2  GLN  76          2HE2      GLN  76  39.421  14.074  26.218
  572   1HE2  GLN  76          1HE2      GLN  76  37.747  14.113  26.501
  573    H    ARG  77           H        ARG  77  39.682   8.744  23.232
  574    HA   ARG  77           HA       ARG  77  40.910   6.939  24.087
  575   1HB   ARG  77          1HB       ARG  77  42.251   7.868  21.721
  576   2HB   ARG  77          2HB       ARG  77  43.459   7.350  22.898
  577   1HG   ARG  77          1HG       ARG  77  42.326   5.193  23.150
  578   2HG   ARG  77          2HG       ARG  77  41.058   5.709  22.037
  579   1HD   ARG  77          1HD       ARG  77  43.939   5.771  21.173
  580   2HD   ARG  77          2HD       ARG  77  43.029   4.261  21.114
  581    HE   ARG  77           HE       ARG  77  41.352   5.621  19.687
  582   1HH1  ARG  77          1HH1      ARG  77  42.340   8.198  19.344
  583   2HH1  ARG  77          2HH1      ARG  77  43.487   8.113  18.049
  584   1HH2  ARG  77          1HH2      ARG  77  43.865   4.673  18.255
  585   2HH2  ARG  77          2HH2      ARG  77  44.349   6.119  17.432
  586    H    ILE  78           H        ILE  78  41.347   7.244  26.230
  587    HA   ILE  78           HA       ILE  78  43.602   9.081  26.933
  588    HB   ILE  78           HB       ILE  78  41.523   9.811  27.947
  589   1HG1  ILE  78          1HG1      ILE  78  42.416   8.596  30.400
  590   2HG1  ILE  78          2HG1      ILE  78  43.821   9.000  29.412
  591   1HG2  ILE  78          1HG2      ILE  78  41.192   6.904  28.332
  592   2HG2  ILE  78          2HG2      ILE  78  40.695   7.884  29.712
  593   3HG2  ILE  78          3HG2      ILE  78  39.969   8.158  28.129
  594   1HD1  ILE  78          1HD1      ILE  78  41.610  11.009  29.708
  595   2HD1  ILE  78          2HD1      ILE  78  42.782  10.818  31.011
  596   3HD1  ILE  78          3HD1      ILE  78  43.325  11.277  29.397

  No H/Q in entry =         596