*HEADER    ELECTRON TRANSPORT                      11-OCT-99   1QN1
*TITLE     SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS FERRICYTOCHROME
*TITLE    2 C3, NMR, 15 STRUCTURES
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: CYTOCHROME C3;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: TETRAHEME CYTOCHROME;
*COMPND   5 OTHER_DETAILS: CLASS III OF C-TYPE CYTOCHROMES, FULLY
*COMPND   6 OXIDISED FORM
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS;
*SOURCE   3 CELLULAR_LOCATION: PERIPLASM
*KEYWDS    ELECTRON TRANSPORT, HEMEPROTEIN, CYTOCHROME C3, REDOX
*KEYWDS   2 COOPERATIVITY, REDOX-BOHR COOPERATIVITY, ENERGY
*KEYWDS   3 TRANSDUCTION, PARAMAGNETIC
*EXPDTA    NMR, 15 STRUCTURES
*AUTHOR    L.BRENNAN,A.C.MESSIAS,J.LEGALL,D.L.TURNER,A.V.XAVIER
*REVDAT   1   12-OCT-00 1QN1    0




#Lower volume limits
#80ms DATA
  1 VAL  HA      1 VAL  QG1     153.65     
  1 VAL  HA      1 VAL  QG2     137.19     
  1 VAL  HA      2 ASP- HN      989.87     
  1 VAL  HB      2 ASP- HN       53.21     
  1 VAL  QG1     2 ASP- HN       82.29     
  1 VAL  QG2     2 ASP- HN       55.20     
  2 ASP- HN      2 ASP- HA      304.71     
  2 ASP- HN      2 ASP- HB2     475.82     
  2 ASP- HN      2 ASP- HB3     117.35     
  2 ASP- HA      2 ASP- HB2     291.34     
  2 ASP- HB2     3 VAL  HN      144.24     
  2 ASP- HB3     3 VAL  HN      326.58     
  3 VAL  HN      3 VAL  HA       86.18     
  3 VAL  HN      3 VAL  HB      235.61     
  5 ALA  HN      5 ALA  HA      341.67     
  5 ALA  HN      6 ASP- HN       43.63     
  5 ALA  HA      6 ASP- HA       42.02     
  5 ALA  QB      6 ASP- HN      569.66     
  5 ALA  QB      6 ASP- HA       21.96     
  6 ASP- HN      6 ASP- HA      252.37     
  6 ASP- HN      7 GLY  HN        2.65     
  6 ASP- HA      6 ASP- HB3     421.03     
  6 ASP- HA     23 VAL  QG1      13.60     
  6 ASP- HB2     7 GLY  HN      701.28     
  6 ASP- HB3     7 GLY  HN      287.23     
  7 GLY  HN      7 GLY  HA1     379.33     
  7 GLY  HN      8 ALA  HN      465.40     
  7 GLY  HN     23 VAL  QG1     187.17     
  7 GLY  HA1     8 ALA  HN      253.94     
  7 GLY  HA1    23 VAL  QG1     281.33     
  7 GLY  HA2    23 VAL  QG2      11.07     
  8 ALA  HN      8 ALA  HA      368.06     
  8 ALA  HN      8 ALA  QB     1009.35     
  8 ALA  HN     23 VAL  QG1     111.49     
  8 ALA  HN     24 PHE  HN       65.98     
  8 ALA  HA      9 LYS+ HA       10.25     
  8 ALA  QB      9 LYS+ HN       96.78     
  8 ALA  QB     10 ILE  QD1      54.98     
  8 ALA  QB     24 PHE  HN       39.21     
  9 LYS+ HN      9 LYS+ HA      155.38     
  9 LYS+ HN      9 LYS+ HG2      28.27     
  9 LYS+ HN      9 LYS+ HD3     429.32     
  9 LYS+ HA      9 LYS+ HG2     222.13     
  9 LYS+ HA     10 ILE  HG12     35.09     
  9 LYS+ HA     23 VAL  QG1      25.13     
  9 LYS+ HA     23 VAL  QG2     255.68     
  9 LYS+ HG2     9 LYS+ HD3     594.03     
  9 LYS+ HG2     9 LYS+ HE2     174.06     
  9 LYS+ HG3     9 LYS+ HE3     174.12     
  9 LYS+ HD3     9 LYS+ HE2     136.35     
  9 LYS+ HD3    10 ILE  HN      107.06     
  9 LYS+ HD3    21 THR  HB       43.92     
 10 ILE  HN     10 ILE  HA      236.34     
 10 ILE  HN     10 ILE  HB      703.07     
 10 ILE  HN     10 ILE  QG2      73.18     
 10 ILE  HN     10 ILE  HG12    320.89     
 10 ILE  HN     10 ILE  HG13    144.42     
 10 ILE  HN     10 ILE  QD1      24.33     
 10 ILE  HN     11 ASP- HN        7.64     
 10 ILE  HN     21 THR  QG2     130.89     
 10 ILE  HN     22 VAL  HN      213.42     
 10 ILE  HN     23 VAL  HA       54.76     
 10 ILE  HA     10 ILE  QG2     557.53     
 10 ILE  HA     10 ILE  HG12    152.83     
 10 ILE  HA     10 ILE  QD1     101.72     
 10 ILE  HA     12 PHEF HQD1     22.45     
 10 ILE  HA     12 PHEF HQE1     62.27     
 10 ILE  HB     10 ILE  HG12    144.12     
 10 ILE  HB     10 ILE  HG13    274.15     
 10 ILE  HB     10 ILE  QD1     415.86     
 10 ILE  HB     22 VAL  HN      134.53     
 10 ILE  HB     22 VAL  HB      533.97     
 10 ILE  HB     22 VAL  QG1      69.19     
 10 ILE  HB     68 TRP  HZ2      48.64     
 10 ILE  QG2    10 ILE  HG12    147.80     
 10 ILE  QG2    10 ILE  QD1     826.91     
 10 ILE  QG2    11 ASP- HN      205.29     
 10 ILE  QG2    11 ASP- HA       32.34     
 10 ILE  QG2    12 PHEF HN      143.40     
 10 ILE  QG2    12 PHEF HQD1    483.68     
 10 ILE  QG2    12 PHEF HQE1    345.85     
 10 ILE  QG2    12 PHEF HZ       25.16     
 10 ILE  QG2    22 VAL  HB       75.20     
 10 ILE  QG2    24 PHE  HB3      22.91     
 10 ILE  QG2    68 TRP  HD1       2.53     
 10 ILE  QG2    68 TRP  HE1     302.52     
 10 ILE  QG2    68 TRP  HZ2    1241.98     
 10 ILE  QG2    68 TRP  HH2      94.54     
 10 ILE  HG12   24 PHE  HB3      69.50     
 10 ILE  HG13   11 ASP- HN       18.61     
 10 ILE  HG13   12 PHEF HQE1     42.13     
 10 ILE  HG13   24 PHE  HB3      78.95     
 10 ILE  QD1    12 PHEF HQE1     34.35     
 10 ILE  QD1    24 PHE  HB2     211.70     
 10 ILE  QD1    24 PHE  HB3     349.78     
 10 ILE  QD1    68 TRP  HZ2     193.13     
 10 ILE  QD1    68 TRP  HH2      50.23     
 11 ASP- HN     11 ASP- HA      205.14     
 11 ASP- HN     11 ASP- HB2      68.92     
 11 ASP- HN     11 ASP- HB3     132.11     
 11 ASP- HN     12 PHEF HN      155.40     
 11 ASP- HN     12 PHEF HQD1     12.90     
 11 ASP- HN     12 PHEF HQE1     16.24     
 11 ASP- HA     12 PHEF HN      590.81     
 11 ASP- HA     13 ILE  HN       42.24     
 11 ASP- HA     21 THR  QG2      13.00     
 11 ASP- HB2    21 THR  QG2     460.60     
 11 ASP- HB3    21 THR  QG2     183.69     
 12 PHEF HN     12 PHEF HB2     218.72     
 12 PHEF HN     12 PHEF HB3     139.27     
 12 PHEF HN     12 PHEF HQD1     78.05     
 12 PHEF HA     12 PHEF HD2      58.22     
 12 PHEF HB2    12 PHEF HQD1    768.63     
 12 PHEF HB2    12 PHEF HE1      61.37     
 12 PHEF HB2    50 THR  QG2     124.36     
 12 PHEF HB3    12 PHEF HD2     503.14     
 12 PHEF HB3    12 PHEF HE2       0.58     
 12 PHEF HB3    13 ILE  HN        9.28     
 12 PHEF HB3    50 THR  QG2     146.41     
 12 PHEF HB3    58 LEU  QD1      72.89     
 12 PHEF HB3    58 LEU  QD2     218.37     
 12 PHEF HB3    68 TRP  HD1       9.91     
 12 PHEF HB3    68 TRP  HE1      39.74     
 12 PHEF HQD1   68 TRP  HE1     459.61     
 12 PHEF HQD1   68 TRP  HZ2     179.64     
 12 PHEF HQE1   50 THR  QG2      67.66     
 12 PHEF HQE1   68 TRP  HE1      39.91     
 12 PHEF HQE1   68 TRP  HZ2      84.76     
 13 ILE  HN     13 ILE  HA      141.90     
 13 ILE  HN     13 ILE  HG12    110.08     
 13 ILE  HN     13 ILE  QD1     121.03     
 13 ILE  HA     14 ALA  HN      503.32     
 13 ILE  HG12   58 LEU  HA      127.44     
 13 ILE  QG2    14 ALA  HN      173.80     
 13 ILE  QD1    68 TRP  HD1     494.61     
 13 ILE  QD1    68 TRP  HE1       9.67     
 13 ILE  QD1    69 TYRF HN        0.64     
 13 ILE  QD1    69 TYRF HA       62.43     
 14 ALA  HN     14 ALA  QB      225.72     
 14 ALA  HA     15 GLY  HN       70.45     
 14 ALA  QB     15 GLY  HN       92.53     
 15 GLY  HN     15 GLY  HA2      97.50     
 15 GLY  HA2    19 ASN  HA       53.31     
 16 GLY  HN     16 GLY  HA1     354.61     
 16 GLY  HN     16 GLY  HA2     486.11     
 18 LYS+ HN     18 LYS+ HD2      45.68     
 19 ASN  HN     19 ASN  HB3     299.31     
 19 ASN  HA     20 LEU  HN      140.75     
 19 ASN  HB2    19 ASN  HD22    176.13     
 19 ASN  HB3    19 ASN  HD21    286.81     
 19 ASN  HD21   21 THR  QG2      17.72     
 20 LEU  HN     20 LEU  HA       26.47     
 20 LEU  HA     21 THR  HN      581.77     
 21 THR  HN     21 THR  HA       39.85     
 21 THR  HN     21 THR  HB      130.37     
 21 THR  HN     21 THR  QG2      52.64     
 21 THR  HA     21 THR  HB      177.67     
 21 THR  HA     22 VAL  HN      787.97     
 21 THR  HB     22 VAL  HN       92.40     
 21 THR  QG2    22 VAL  HN      285.58     
 22 VAL  HN     22 VAL  HA      138.29     
 22 VAL  HA     22 VAL  HB       62.88     
 22 VAL  HA     22 VAL  QG1     234.22     
 22 VAL  HA     23 VAL  HN      867.82     
 22 VAL  HA     23 VAL  QG2      10.85     
 23 VAL  HN     23 VAL  HA      162.62     
 23 VAL  HN     23 VAL  HB      762.37     
 23 VAL  HN     23 VAL  QG1      65.27     
 23 VAL  HN     23 VAL  QG2     475.86     
 23 VAL  HA     23 VAL  QG1     449.09     
 23 VAL  HA     23 VAL  QG2     561.50     
 23 VAL  QG1    24 PHE  HN      355.06     
 23 VAL  QG1    25 ASN  HD21    100.48     
 23 VAL  QG1    25 ASN  HD22    276.29     
 23 VAL  QG2    24 PHE  HN      114.61     
 24 PHE  HN     24 PHE  HB2     243.61     
 24 PHE  HN     24 PHE  HB3     271.51     
 24 PHE  HA     24 PHE  HB3     303.39     
 24 PHE  HA     25 ASN  HN       96.84     
 25 ASN  HA     25 ASN  HB3      96.52     
 25 ASN  HB2    25 ASN  HD21    412.73     
 25 ASN  HB2    25 ASN  HD22    134.80     
 25 ASN  HB2    27 SER  HN      118.01     
 25 ASN  HB3    25 ASN  HD21    324.11     
 25 ASN  HB3    25 ASN  HD22    139.13     
 25 ASN  HB3    27 SER  HN       20.14     
 27 SER  HN     27 SER  HA      321.32     
 27 SER  HN     27 SER  HB2      29.72     
 27 SER  HN     27 SER  HB3      69.91     
 27 SER  HA     27 SER  HB2     567.96     
 27 SER  HA     27 SER  HB3     680.89     
 27 SER  HA     28 THR  HN       82.25     
 28 THR  HN     28 THR  HA      137.73     
 28 THR  HN     28 THR  QG2      74.60     
 28 THR  HA     30 LYS+ HN        0.39     
 30 LYS+ HN     30 LYS+ HD2     385.56     
 30 LYS+ HA     30 LYS+ HB2     764.48     
 30 LYS+ HA     30 LYS+ HD2     256.95     
 30 LYS+ HA     31 ASP- HN      132.90     
 30 LYS+ HB2    30 LYS+ HG3     274.58     
 30 LYS+ HB2    31 ASP- HN       75.94     
 30 LYS+ HD2    31 ASP- HN      116.04     
 30 LYS+ HD3    30 LYS+ HE3     282.26     
 31 ASP- HN     31 ASP- HA      411.25     
 31 ASP- HN     31 ASP- HB3     617.85     
 31 ASP- HA     31 ASP- HB3     563.14     
 31 ASP- HA     32 VAL  HN      245.96     
 31 ASP- HB3    32 VAL  HN       83.02     
 32 VAL  HN     32 VAL  QG1      37.78     
 32 VAL  HA     32 VAL  QG1     521.93     
 32 VAL  HA     32 VAL  QG2     122.21     
 32 VAL  QG1    33 LYS+ HN      339.73     
 32 VAL  QG1    33 LYS+ HB3      47.52     
 32 VAL  QG1    36 ASP- HN       41.06     
 32 VAL  QG1    36 ASP- HA        3.50     
 32 VAL  QG1    36 ASP- HB2     168.14     
 32 VAL  QG1    36 ASP- HB3     444.72     
 33 LYS+ HN     33 LYS+ HA       58.26     
 33 LYS+ HA     33 LYS+ HB3     447.74     
 33 LYS+ HB2    35 ASP- HN       27.59     
 33 LYS+ HB3    35 ASP- HN      225.13     
 33 LYS+ HB3    36 ASP- HN       29.22     
 35 ASP- HN     35 ASP- HA      383.38     
 35 ASP- HN     35 ASP- HB2       2.66     
 35 ASP- HN     35 ASP- HB3     237.30     
 35 ASP- HA     35 ASP- HB2     787.78     
 35 ASP- HA     35 ASP- HB3     714.75     
 35 ASP- HA     36 ASP- HN      109.49     
 36 ASP- HN     36 ASP- HA      274.16     
 36 ASP- HN     36 ASP- HB3     865.37     
 36 ASP- HA     36 ASP- HB2     560.10     
 36 ASP- HA     36 ASP- HB3     286.99     
 36 ASP- HA     37 HEMC HN       55.85     
 36 ASP- HA     80 LYS+ HG3     352.67     
 36 ASP- HB3    81 FPR  HG2       7.14     
 40 GLN  HA     40 GLN  HG3     125.26     
 40 GLN  HA     41 FPR  HD2    1116.92     
 41 FPR  HD2    41 FPR  HG2     374.06     
 41 FPR  HD2    41 FPR  HG3     363.63     
 41 FPR  HD2    41 FPR  HA        8.81     
 41 FPR  HD2    41 FPR  HB3      73.48     
 41 FPR  HD3    41 FPR  HB2      15.15     
 41 FPR  HG2    41 FPR  HA       47.96     
 41 FPR  HG3    41 FPR  HA        3.30     
 41 FPR  HA     41 FPR  HB2     270.47     
 41 FPR  HA     41 FPR  HB3     660.49     
 41 FPR  HA     45 GLN  HB2      35.88     
 41 FPR  HA     45 GLN  HG2      13.06     
 41 FPR  HB2    42 GLY  HN      129.28     
 41 FPR  HB3    42 GLY  HN       35.79     
 44 LYS+ HN     44 LYS+ HA      191.95     
 44 LYS+ HN     44 LYS+ HB2     158.37     
 44 LYS+ HN     44 LYS+ HD2       5.59     
 44 LYS+ HN     45 GLN  HN      429.27     
 44 LYS+ HN     45 GLN  HB2      68.62     
 44 LYS+ HA     44 LYS+ HB2     456.80     
 44 LYS+ HA     44 LYS+ HD2     300.52     
 44 LYS+ HA     45 GLN  HN      146.00     
 44 LYS+ HB2    44 LYS+ HG3      18.56     
 44 LYS+ HB2    44 LYS+ HD2      91.84     
 45 GLN  HN     45 GLN  HA      476.71     
 45 GLN  HN     45 GLN  HB2     837.79     
 45 GLN  HN     46 TYRF HN      254.03     
 45 GLN  HA     45 GLN  HB2     605.83     
 45 GLN  HA     46 TYRF HN       42.69     
 45 GLN  HB2    46 TYRF HN       84.12     
 45 GLN  HG2    45 GLN  HE21    269.11     
 46 TYRF HN     47 ALA  HN      500.85     
 46 TYRF HN     47 ALA  QB       17.80     
 47 ALA  HN     47 ALA  QB      511.38     
 47 ALA  HA     48 GLY  HN      804.77     
 47 ALA  HA     48 GLY  HA2      26.74     
 47 ALA  QB     48 GLY  HN      286.44     
 48 GLY  HN     48 GLY  HA1     418.86     
 48 GLY  HN     48 GLY  HA2     899.24     
 48 GLY  HN     51 THR  QG2      99.80     
 50 THR  HA     50 THR  QG2     509.59     
 50 THR  HA     51 THR  HN      123.68     
 50 THR  HB     58 LEU  QD2     105.55     
 50 THR  QG2    58 LEU  QD2     389.45     
 50 THR  QG2    68 TRP  HA       61.61     
 50 THR  QG2    68 TRP  HB2     428.16     
 50 THR  QG2    68 TRP  HB3     132.37     
 50 THR  QG2    68 TRP  HE3     109.20     
 51 THR  HA     51 THR  HB      312.51     
 51 THR  QG2    52 ASP- HB2      92.16     
 52 ASP- HA     53 GLY  HN      616.54     
 52 ASP- HA     56 ASN  HB3     234.83     
 52 ASP- HA     56 ASN  HD21     79.69     
 52 ASP- HA     56 ASN  HD22     63.86     
 56 ASN  HN     56 ASN  HA      273.55     
 56 ASN  HN     56 ASN  HB2     147.00     
 56 ASN  HN     56 ASN  HB3     220.61     
 56 ASN  HN     56 ASN  HD21     17.83     
 56 ASN  HN     57 ILE  HN      373.96     
 56 ASN  HN     66 ASN  HA       63.66     
 56 ASN  HN     66 ASN  HB3     123.45     
 56 ASN  HA     56 ASN  HB2     652.76     
 56 ASN  HA     56 ASN  HB3     358.74     
 56 ASN  HA     57 ILE  HN      134.18     
 56 ASN  HB2    56 ASN  HD22    161.84     
 56 ASN  HB3    56 ASN  HD21    228.71     
 56 ASN  HB3    56 ASN  HD22     30.76     
 57 ILE  HN     57 ILE  HA      163.36     
 57 ILE  HN     57 ILE  HB      508.81     
 57 ILE  HN     57 ILE  HG12    256.05     
 57 ILE  HN     57 ILE  QD1      46.34     
 57 ILE  HN     66 ASN  HB3      34.61     
 57 ILE  HN     67 SER  HA       98.11     
 57 ILE  HA     57 ILE  HB      137.33     
 57 ILE  HA     57 ILE  QD1     173.96     
 57 ILE  HA     58 LEU  HN     1000.98     
 57 ILE  HA     59 ASP- HN        7.38     
 57 ILE  HB     57 ILE  QD1     122.73     
 57 ILE  HB     67 SER  HA      972.02     
 57 ILE  QG2    58 LEU  HN      271.25     
 57 ILE  QG2    58 LEU  HA       11.90     
 57 ILE  QG2    62 ASP- HN       88.12     
 57 ILE  QG2    62 ASP- HB2     234.21     
 57 ILE  QG2    62 ASP- HB3     374.14     
 57 ILE  QG2    67 SER  HA      186.11     
 57 ILE  QG2    67 SER  HB3      56.52     
 57 ILE  QD1    62 ASP- HB3     206.41     
 57 ILE  QD1    66 ASN  HB2      59.38     
 57 ILE  QD1    66 ASN  HB3     283.87     
 57 ILE  QD1    67 SER  HA        7.70     
 58 LEU  HN     58 LEU  HA      165.73     
 58 LEU  HN     58 LEU  QD1      53.13     
 58 LEU  HN     58 LEU  QD2      63.86     
 58 LEU  HN     59 ASP- HN      279.54     
 58 LEU  HA     58 LEU  QD1      40.63     
 58 LEU  HA     58 LEU  QD2     982.63     
 58 LEU  HA     59 ASP- HN      118.65     
 58 LEU  QD2    68 TRP  HD1     255.92     
 59 ASP- HN     59 ASP- HA      181.10     
 59 ASP- HB2    61 ALA  HN       79.11     
 60 LYS+ HN     61 ALA  QB       21.01     
 60 LYS+ HA     60 LYS+ HD2       2.64     
 60 LYS+ HD2    61 ALA  HN       25.43     
 62 ASP- HB3    67 SER  HB3      62.51     
 63 LYS+ HA     63 LYS+ HG2     183.98     
 63 LYS+ HA     67 SER  HB2      45.83     
 63 LYS+ HA     70 LYS+ HD2     244.30     
 64 SER  HN     64 SER  HB2      34.42     
 64 SER  HN     65 VAL  HN        3.67     
 64 SER  HN     67 SER  HB3       2.42     
 64 SER  HA     64 SER  HB2     152.74     
 64 SER  HA     65 VAL  HN      536.06     
 64 SER  HA     66 ASN  HN        2.70     
 65 VAL  HN     65 VAL  HA      221.20     
 65 VAL  HN     65 VAL  HB      551.01     
 65 VAL  HN     66 ASN  HN       31.59     
 65 VAL  HA     65 VAL  QG1     275.18     
 65 VAL  HA     70 LYS+ HE2      31.58     
 65 VAL  QG2    66 ASN  HN      100.60     
 66 ASN  HN     66 ASN  HA      195.03     
 66 ASN  HN     66 ASN  HB2     432.50     
 66 ASN  HN     66 ASN  HB3      23.97     
 66 ASN  HN     67 SER  HN      478.50     
 66 ASN  HA     66 ASN  HB2     303.22     
 66 ASN  HA     66 ASN  HD21    403.88     
 66 ASN  HA     66 ASN  HD22    128.13     
 66 ASN  HA     67 SER  HN       93.78     
 66 ASN  HB2    66 ASN  HD22     54.74     
 66 ASN  HB3    66 ASN  HD21    149.41     
 66 ASN  HB3    66 ASN  HD22    158.99     
 67 SER  HN     67 SER  HA      188.11     
 67 SER  HN     67 SER  HB2     662.01     
 67 SER  HN     69 TYRF HN        7.64     
 67 SER  HA     67 SER  HB2     165.45     
 67 SER  HA     67 SER  HB3     266.41     
 67 SER  HA     68 TRP  HN      948.50     
 67 SER  HA     68 TRP  HB2      10.05     
 67 SER  HB2    70 LYS+ HN       42.09     
 67 SER  HB2    70 LYS+ HB3     181.74     
 67 SER  HB3    70 LYS+ HB2     189.58     
 67 SER  HB3    70 LYS+ HB3      36.60     
 68 TRP  HN     68 TRP  HA      246.63     
 68 TRP  HN     68 TRP  HB2     559.32     
 68 TRP  HN     68 TRP  HB3     507.07     
 68 TRP  HN     69 TYRF HN      134.91     
 68 TRP  HA     68 TRP  HB2     692.49     
 68 TRP  HA     68 TRP  HB3     294.87     
 68 TRP  HA     68 TRP  HE3    1149.09     
 68 TRP  HA     71 VAL  HN       33.50     
 68 TRP  HA     71 VAL  QG1     978.05     
 68 TRP  HB2    68 TRP  HD1     150.59     
 68 TRP  HB2    68 TRP  HE3     136.26     
 68 TRP  HB2    69 TYRF HN       75.37     
 68 TRP  HB3    68 TRP  HD1     302.74     
 68 TRP  HB3    69 TYRF HN      163.62     
 68 TRP  HZ2    72 VAL  QG2      49.81     
 68 TRP  HH2    72 VAL  QG2     103.40     
 69 TYRF HN     70 LYS+ HN      153.53     
 69 TYRF HB2    69 TYRF HD2       1.02     
 69 TYRF HD1    70 LYS+ HA       27.49     
 70 LYS+ HN     70 LYS+ HA      205.64     
 70 LYS+ HN     70 LYS+ HB2     409.11     
 70 LYS+ HN     70 LYS+ HB3     312.66     
 70 LYS+ HN     70 LYS+ HG2      25.91     
 70 LYS+ HN     71 VAL  HN      470.54     
 70 LYS+ HA     70 LYS+ HB2     336.12     
 70 LYS+ HA     70 LYS+ HB3     468.81     
 70 LYS+ HA     70 LYS+ HG2     312.84     
 70 LYS+ HA     70 LYS+ HD2     263.99     
 70 LYS+ HA     71 VAL  HN       59.10     
 70 LYS+ HA     74 ASP- HB3       3.53     
 70 LYS+ HB2    70 LYS+ HD2     457.23     
 70 LYS+ HB3    70 LYS+ HG2     897.78     
 70 LYS+ HG2    74 ASP- HN        9.76     
 70 LYS+ HD2    70 LYS+ HE2     409.71     
 70 LYS+ HD3    70 LYS+ HE3     414.07     
 70 LYS+ HE2    74 ASP- HA        4.88     
 71 VAL  HN     72 VAL  HN      437.80     
 71 VAL  HN     74 ASP- HB3       1.76     
 71 VAL  HA     74 ASP- HB2     173.27     
 71 VAL  HA     82 THR  QG2     541.48     
 72 VAL  HN     72 VAL  HA      190.05     
 74 ASP- HN     74 ASP- HB2     826.11     
 74 ASP- HN     75 ALA  HN        9.13     
 74 ASP- HN     82 THR  HG1      18.47     
 74 ASP- HN     82 THR  QG2     297.90     
 74 ASP- HA     76 LYS+ HN       64.96     
 74 ASP- HB2    75 ALA  HN       18.84     
 74 ASP- HB2    77 GLY  HN       94.68     
 74 ASP- HB2    82 THR  QG2     410.23     
 74 ASP- HB3    82 THR  HG1      90.32     
 74 ASP- HB3    82 THR  QG2     686.44     
 75 ALA  HN     75 ALA  HA      121.76     
 75 ALA  HN     75 ALA  QB      572.35     
 75 ALA  HN     76 LYS+ HN      245.26     
 75 ALA  HA     76 LYS+ HN      152.43     
 75 ALA  HA     82 THR  HG1     114.36     
 75 ALA  HA     84 ILE  QG2     789.42     
 76 LYS+ HN     76 LYS+ HG2      19.59     
 76 LYS+ HA     76 LYS+ HG2     126.94     
 77 GLY  HN     77 GLY  HA1    1293.50     
 77 GLY  HN     82 THR  QG2      19.06     
 77 GLY  HN     85 SER  HB3     109.50     
 77 GLY  HA1    82 THR  HN       99.25     
 77 GLY  HA2    82 THR  QG2     199.67     
 78 GLY  HN     79 ALA  HN       12.58     
 78 GLY  HN     81 FPR  HA       77.21     
 78 GLY  HN     82 THR  QG2      17.73     
 79 ALA  HN     80 LYS+ HN      461.24     
 79 ALA  HA     80 LYS+ HN      136.52     
 79 ALA  QB     80 LYS+ HN      276.34     
 80 LYS+ HN     80 LYS+ HA      164.74     
 80 LYS+ HN     80 LYS+ HB2     167.16     
 80 LYS+ HN     80 LYS+ HG2     163.96     
 80 LYS+ HA     80 LYS+ HB2     503.75     
 80 LYS+ HA     80 LYS+ HG2    1271.05     
 80 LYS+ HA     81 FPR  HD3     362.68     
 80 LYS+ HA     81 FPR  HG2      15.99     
 80 LYS+ HA     81 FPR  HG3      15.46     
 80 LYS+ HB2    81 FPR  HD3     728.78     
 81 FPR  HD2    81 FPR  HG3     321.25     
 81 FPR  HD2    81 FPR  HB3      89.79     
 81 FPR  HD3    81 FPR  HG2     310.35     
 81 FPR  HD3    81 FPR  HG3     412.48     
 81 FPR  HG2    81 FPR  HA       50.87     
 81 FPR  HG2    81 FPR  HB2     287.05     
 81 FPR  HG2    81 FPR  HB3     341.17     
 81 FPR  HG3    81 FPR  HA       37.12     
 81 FPR  HG3    81 FPR  HB2     139.14     
 81 FPR  HG3    81 FPR  HB3     207.54     
 81 FPR  HA     81 FPR  HB2     366.23     
 81 FPR  HA     81 FPR  HB3     908.96     
 81 FPR  HB2    82 THR  HN      163.40     
 81 FPR  HB3    82 THR  HN      146.91     
 82 THR  HN     82 THR  HA      210.00     
 82 THR  HN     82 THR  HG1     119.14     
 82 THR  HN     82 THR  QG2     365.67     
 82 THR  HN     85 SER  HN       93.89     
 82 THR  HN     85 SER  HB3      59.17     
 82 THR  HA     82 THR  HB      346.19     
 82 THR  HA     82 THR  QG2     719.52     
 82 THR  HB     82 THR  HG1     382.11     
 82 THR  HG1    84 ILE  HN      106.41     
 82 THR  HG1    84 ILE  HB       68.94     
 82 THR  HG1    84 ILE  QG2       2.18     
 82 THR  HG1    85 SER  HN     1113.76     
 82 THR  HG1    85 SER  HA       70.00     
 82 THR  HG1    85 SER  HB3     417.31     
 82 THR  QG2    85 SER  HN       39.47     
 84 ILE  HN     84 ILE  HB      301.51     
 84 ILE  HN     84 ILE  QG2      17.33     
 84 ILE  HB     85 SER  HN       72.87     
 84 ILE  QG2    85 SER  HN       40.45     
 84 ILE  QG2    85 SER  HA       64.76     
 84 ILE  QG2    88 LYS+ HN       17.22     
 84 ILE  QG2    88 LYS+ HG2      60.45     
 84 ILE  QG2    88 LYS+ HE2      21.18     
 84 ILE  QG2   102 THR  HA       34.05     
 84 ILE  QG2   102 THR  HB      205.67     
 84 ILE  QG2   102 THR  QG2     101.25     
 84 ILE  QD1   102 THR  HB       82.31     
 85 SER  HN     85 SER  HA      258.86     
 85 SER  HN     85 SER  HB2     108.59     
 85 SER  HA     85 SER  HB2     604.82     
 85 SER  HA     85 SER  HB3     537.56     
 85 SER  HA     88 LYS+ HN       71.82     
 85 SER  HA     88 LYS+ HB2     118.93     
 85 SER  HA     89 ASP- HN       27.41     
 88 LYS+ HN     88 LYS+ HA      270.05     
 88 LYS+ HN     88 LYS+ HB2     457.07     
 88 LYS+ HN     89 ASP- HN      206.39     
 88 LYS+ HN    102 THR  QG2      57.82     
 88 LYS+ HA     88 LYS+ HB2     602.57     
 88 LYS+ HA    102 THR  QG2     426.14     
 88 LYS+ HB2    89 ASP- HN      531.10     
 89 ASP- HN     90 LYS+ HN      562.48     
 89 ASP- HB2    90 LYS+ HN      542.48     
 90 LYS+ HN     90 LYS+ HA      310.92     
 90 LYS+ HN     90 LYS+ HB2     564.14     
 90 LYS+ HN     90 LYS+ HD2      69.47     
 90 LYS+ HN     91 ALA  HN      201.72     
 90 LYS+ HN     92 GLY  HN        6.36     
 90 LYS+ HA     90 LYS+ HB2     616.16     
 90 LYS+ HA     90 LYS+ HD2     325.38     
 90 LYS+ HB2    91 ALA  HN      191.17     
 91 ALA  HN     91 ALA  HA      425.01     
 91 ALA  HN     92 GLY  HN      413.90     
 91 ALA  HA     97 LEU  HB3     360.89     
 91 ALA  HA     97 LEU  HB2      31.59     
 91 ALA  HA     97 LEU  QD1     236.37     
 91 ALA  HA     97 LEU  QD2     261.96     
 92 GLY  HN     92 GLY  HA1    1483.12     
 92 GLY  HN     93 ASP- HN       39.93     
 92 GLY  HA1    93 ASP- HN      680.09     
 92 GLY  HA1    94 ASP- HN      116.93     
 93 ASP- HN     93 ASP- HA       37.69     
 93 ASP- HN     93 ASP- HB2      63.91     
 93 ASP- HN     93 ASP- HB3     254.37     
 93 ASP- HN     94 ASP- HN      391.63     
 93 ASP- HA     93 ASP- HB2      73.25     
 93 ASP- HA     93 ASP- HB3     346.44     
 93 ASP- HA     94 ASP- HN      120.86     
 93 ASP- HB2    94 ASP- HN       15.89     
 94 ASP- HN     94 ASP- HB2     565.09     
 94 ASP- HN     95 LYS+ HN       71.37     
 94 ASP- HA     95 LYS+ HN       67.92     
 94 ASP- HB2    97 LEU  HN       82.25     
 94 ASP- HB2    97 LEU  HB2      53.51     
 94 ASP- HB2    97 LEU  QD1      49.13     
 94 ASP- HB2    97 LEU  QD2      10.70     
 94 ASP- HB3    95 LYS+ HN       69.75     
 94 ASP- HB3    97 LEU  HG       16.55     
 95 LYS+ HN     95 LYS+ HA      264.96     
 95 LYS+ HN     95 LYS+ HB2     581.71     
 95 LYS+ HN     96 GLU- HN      134.38     
 95 LYS+ HA     96 GLU- HN       80.79     
 95 LYS+ HA     97 LEU  HN       24.16     
 95 LYS+ HA     98 LYS+ HN      108.97     
 95 LYS+ HA     98 LYS+ HB3      73.06     
 95 LYS+ HA     99 LYS+ HN       37.47     
 96 GLU- HN     96 GLU- HG2     125.46     
 96 GLU- HN     96 GLU- HG3      37.01     
 96 GLU- HN     97 LEU  HN       40.17     
 96 GLU- HN     98 LYS+ HN      114.40     
 96 GLU- HA     96 GLU- HG2     132.64     
 96 GLU- HA     96 GLU- HG3      12.70     
 96 GLU- HA     97 LEU  HN       70.04     
 96 GLU- HB2    97 LEU  HN      281.20     
 97 LEU  HN     97 LEU  HB3     496.74     
 97 LEU  HN     97 LEU  HB2     145.10     
 97 LEU  HN     97 LEU  QD1      50.62     
 97 LEU  HN     97 LEU  QD2      42.60     
 97 LEU  HN     98 LYS+ HN      751.91     
 97 LEU  HN     99 LYS+ HN       21.23     
 97 LEU  HA     97 LEU  HB3     142.24     
 97 LEU  HA     97 LEU  HB2     184.16     
 97 LEU  HA     97 LEU  QD1     183.39     
 97 LEU  HA     97 LEU  QD2     514.38     
 97 LEU  HA     98 LYS+ HN       92.97     
 97 LEU  HA    100 LYS+ HN      134.72     
 97 LEU  HA    100 LYS+ HG3       3.43     
 97 LEU  HB3    97 LEU  QD1     358.92     
 97 LEU  HB3    97 LEU  QD2     239.94     
 97 LEU  HB2    97 LEU  QD1     131.66     
 97 LEU  HB2    97 LEU  QD2     202.71     
 98 LYS+ HA     98 LYS+ HE2     504.49     
 98 LYS+ HA     99 LYS+ HN       88.96     
 98 LYS+ HA    102 THR  QG2      68.01     
 99 LYS+ HN     99 LYS+ HG2      57.77     
 99 LYS+ HA    103 GLY  HN      176.49     
100 LYS+ HN    100 LYS+ HB2     444.80     
100 LYS+ HN    100 LYS+ HG3      18.21     
100 LYS+ HN    107 SER  HA        0.39     
100 LYS+ HA    100 LYS+ HB2     418.49     
100 LYS+ HA    100 LYS+ HG3     321.94     
100 LYS+ HA    100 LYS+ HD3      41.60     
100 LYS+ HA    107 SER  HA      665.82     
100 LYS+ HA    107 SER  HB2      95.96     
100 LYS+ HA    108 ALA  HN      346.07     
100 LYS+ HA    108 ALA  QB       31.09     
100 LYS+ HB2   100 LYS+ HG3     415.88     
100 LYS+ HB2   100 LYS+ HD2      25.98     
100 LYS+ HB2   100 LYS+ HD3     101.70     
100 LYS+ HG2   100 LYS+ HD3     153.27     
100 LYS+ HG2   101 LEU  HN      514.46     
100 LYS+ HG3   100 LYS+ HE2     124.98     
100 LYS+ HG3   107 SER  HA       11.47     
100 LYS+ HG3   108 ALA  HN       59.76     
100 LYS+ HG3   108 ALA  QB      304.58     
100 LYS+ HD3   108 ALA  HN        5.93     
100 LYS+ HD3   108 ALA  QB       40.27     
101 LEU  HN    101 LEU  HB3     592.81     
102 THR  HN    102 THR  HB       32.39     
102 THR  HN    102 THR  HG1       6.70     
102 THR  HN    102 THR  QG2     141.56     
102 THR  HN    103 GLY  HN      822.90     
102 THR  HA    102 THR  HB      775.44     
102 THR  HA    102 THR  QG2     462.32     
102 THR  HA    103 GLY  HN       65.23     
103 GLY  HN    107 SER  HB2       1.64     
103 GLY  HA1   104 CYSH HN      116.11     
105 LYS+ HN    105 LYS+ HA      215.40     
105 LYS+ HN    105 LYS+ HB2     172.30     
105 LYS+ HN    105 LYS+ HG2      15.09     
105 LYS+ HN    106 GLY  HN        8.76     
105 LYS+ HA    105 LYS+ HB2     341.24     
105 LYS+ HA    105 LYS+ HG2     176.04     
105 LYS+ HA    107 SER  HN      102.96     
105 LYS+ HA    112 SER  HN      101.78     
106 GLY  HN    106 GLY  HA1     894.44     
106 GLY  HN    107 SER  HN      671.35     
106 GLY  HN    111 FPR  HA      160.80     
106 GLY  HN    112 SER  HN        4.89     
106 GLY  HA1   107 SER  HN       24.57     
106 GLY  HA1   111 FPR  HA       24.05     
106 GLY  HA1   112 SER  HN      125.88     
107 SER  HN    107 SER  HA      228.65     
107 SER  HN    111 FPR  HA      217.74     
107 SER  HA    107 SER  HG        1.70     
107 SER  HA    108 ALA  HN      637.80     
107 SER  HA    108 ALA  QB       19.68     
107 SER  HB2   107 SER  HG       94.12     
107 SER  HB2   108 ALA  HN      393.22     
107 SER  HB2   108 ALA  QB        5.85     
108 ALA  HN    108 ALA  HA      343.76     
108 ALA  HN    108 ALA  QB      764.31     
111 FPR  HD2   111 FPR  HG2     219.37     
111 FPR  HD2   111 FPR  HB3       8.72     
111 FPR  HD2   112 SER  HN       13.11     
111 FPR  HG2   111 FPR  HA       30.19     
111 FPR  HG2   112 SER  HN       86.88     
111 FPR  HA    111 FPR  HB3     665.52     
111 FPR  HA    112 SER  HN      623.42     
111 FPR  HB2   112 SER  HN      183.15     
111 FPR  HB3   112 SER  HN      107.87     
112 SER  HN    112 SER  HB2     217.45     
#25ms DATA
  1 VAL  QG1    37 HEMC QM8     290.77    
  1 VAL  QG1    37 HEMC HDM      74.89    
  1 VAL  QG1    37 HEMC QM1     255.71    
  1 VAL  QG2    37 HEMC QM8     115.10    
  1 VAL  QG2    37 HEMC QM1      85.83    
  1 VAL  QG2    46 TYRF HD2       0.47    
  3 VAL  HN      3 VAL  QG2     384.25    
  3 VAL  HN     37 HEMC QM1      11.40    
  3 VAL  HA      3 VAL  HB       77.56    
  3 VAL  HA     37 HEMC QM1      79.81    
  3 VAL  QG1    26 HINH HB2     153.47    
  3 VAL  QG1    26 HINH HB3     220.87    
  3 VAL  QG1    37 HEMC QM1      37.50    
  3 VAL  QG2    26 HINH HB2      27.32    
  3 VAL  QG2    26 HINH HB3     103.83    
  3 VAL  QG2    37 HEMC QM1     195.62    
  3 VAL  QG2    37 HEMC QT2     519.86    
 10 ILE  QG2   109 HEMC QM5     497.54    
 10 ILE  QG2   109 HEMC HA62    458.91    
 10 ILE  QG2   109 HEMC HB62    100.12    
 10 ILE  QD1    22 VAL  HB        2.66    
 10 ILE  QD1    37 HEMC QM5     583.60    
 10 ILE  QD1    37 HEMC HA63     55.45    
 10 ILE  QD1    37 HEMC HB62      9.59    
 10 ILE  QD1    86 HEMC QM1     184.54    
 10 ILE  QD1    86 HEMC QT2      97.12    
 10 ILE  QD1   109 HEMC QM5     325.25    
 12 PHEF HQE1   37 HEMC HB62     99.94    
 12 PHEF HZ     37 HEMC HB62      9.99    
 13 ILE  QG2   109 HEMC HA72    169.68    
 13 ILE  QD1    69 TYRF HQD1     94.37    
 13 ILE  QD1   109 HEMC HA63    165.59    
 20 LEU  HN     20 LEU  HG      317.23    
 20 LEU  HN     20 LEU  QD1     474.19    
 22 VAL  HN     22 VAL  HB      698.45    
 22 VAL  HN     22 VAL  QG2     177.38    
 22 VAL  HN    109 HEMC HB62     25.92    
 22 VAL  HB    109 HEMC QM5     449.89    
 22 VAL  QG1    23 VAL  HN      507.09    
 22 VAL  QG1    86 HEMC QM8      24.87    
 22 VAL  QG1    86 HEMC QM1     495.27    
 22 VAL  QG1   109 HEMC HA        2.81    
 22 VAL  QG1   109 HEMC QM5     438.00    
 22 VAL  QG2   109 HEMC QM5     165.73    
 23 VAL  HA     25 ASN  HN        1.47    
 25 ASN  HN     25 ASN  HA       61.08    
 26 HINH HN     26 HINH HB2     349.73    
 26 HINH HA     27 SER  HN       28.66    
 26 HINH HB2    27 SER  HN      141.00    
 27 SER  HN     28 THR  HN      449.46    
 27 SER  HA     29 HINH HN       59.31    
 28 THR  HN     29 HINH HN      831.90    
 28 THR  HB     86 HEMC HB72    231.01    
 28 THR  QG2    86 HEMC HB72    202.10    
 29 HINH HN     29 HINH HA       70.13    
 29 HINH HN     29 HINH HB3     453.09    
 29 HINH HN     30 LYS+ HN      992.90    
 29 HINH HA     29 HINH HB2     103.56    
 32 VAL  HN     32 VAL  QG2     512.03    
 32 VAL  QG1    37 HEMC QM3    1137.05    
 32 VAL  QG1    86 HEMC QT4     952.15    
 32 VAL  QG1    86 HEMC QM3      57.81    
 32 VAL  QG2    37 HEMC QM3     111.16    
 32 VAL  QG2    86 HEMC QT4     321.40    
 33 LYS+ HB2    34 CYSH HN       20.50    
 33 LYS+ HB3    34 CYSH HN       68.38    
 34 CYSH HN     34 CYSH HA      251.45    
 34 CYSH HN     34 CYSH HB2     292.49    
 34 CYSH HN     34 CYSH HB3      83.11    
 34 CYSH HN     35 ASP- HN      112.81    
 34 CYSH HA     34 CYSH HB2      18.26    
 34 CYSH HA     37 HEMC QM3     104.37    
 34 CYSH HA     37 HEMC HAM     133.50    
 34 CYSH HB2    35 ASP- HN      594.65    
 35 ASP- HA     37 HEMC HN      166.06    
 35 ASP- HA     38 HINX HN      339.57    
 36 ASP- HN     37 HEMC HN     1091.52    
 36 ASP- HB2    37 HEMC HN       38.50    
 36 ASP- HB2    86 HEMC QT4      21.41    
 36 ASP- HB3    37 HEMC HN      160.47    
 37 HEMC HN     37 HEMC HA      336.15    
 37 HEMC HN     37 HEMC HB2     502.96    
 37 HEMC HN     38 HINX HN     1960.05    
 37 HEMC HA     37 HEMC HB3     771.21    
 37 HEMC HB2    38 HINX HN      327.56    
 37 HEMC HB3    54 HEMC QT2     202.20    
 37 HEMC HT4A   37 HEMC QM5     102.89    
 37 HEMC QT4    37 HEMC HBM     131.08    
 37 HEMC QT4    86 HEMC QM3     181.93    
 37 HEMC QM5    37 HEMC HA62    305.60    
 37 HEMC QM5    37 HEMC HA63    488.93    
 37 HEMC QM5    37 HEMC HB62      7.07    
 37 HEMC QM5    37 HEMC HB63    240.57    
 37 HEMC QM5    54 HEMC QT2     128.56    
 37 HEMC QM5    68 TRP  HH2     201.14    
 37 HEMC QM5    86 HEMC QT2    1206.02    
 37 HEMC HA62   37 HEMC HB62    110.42    
 37 HEMC HA62   37 HEMC HB63    299.52    
 37 HEMC HA63   37 HEMC HB62    633.95    
 37 HEMC HA63   37 HEMC HB63    320.46    
 37 HEMC HA63   37 HEMC HGM     623.56    
 37 HEMC HGM    37 HEMC HA73    983.64    
 37 HEMC HA72   37 HEMC QM8     341.09    
 37 HEMC HA73   37 HEMC QM8     231.03    
 37 HEMC QM8    46 TYRF HB3     199.91    
 37 HEMC QM8    46 TYRF HQD2     46.40    
 37 HEMC QM1    37 HEMC HT2A    101.70    
 37 HEMC QM1    37 HEMC QT2     582.68    
 37 HEMC QM1    46 TYRF HQE2    296.73    
 38 HINX HN     38 HINX HA      175.19    
 38 HINX HN     38 HINX HB2     600.44    
 38 HINX HN     38 HINX HB3      12.29    
 38 HINX HA     39 HINH HN     1236.53    
 38 HINX HB3    45 GLN  HG2      22.50    
 38 HINX HB3    45 GLN  HG3     348.37    
 39 HINH HN     39 HINH HA      311.26    
 39 HINH HN     39 HINH HB2     553.39    
 39 HINH HN     40 GLN  HN      405.02    
 39 HINH HA     39 HINH HB2     212.58    
 39 HINH HA     40 GLN  HN       81.13    
 40 GLN  HN     40 GLN  HA      219.48    
 40 GLN  HN     40 GLN  HB2     577.73    
 40 GLN  HN     45 GLN  HA       42.81    
 40 GLN  HA     40 GLN  HB3     117.94    
 44 LYS+ HB2    54 HEMC QM3     100.58    
 45 GLN  HN     45 GLN  HG2      49.25    
 46 TYRF HN     46 TYRF HA      300.55    
 46 TYRF HN     46 TYRF HD1     202.82    
 46 TYRF HA     46 TYRF HB2     217.47    
 46 TYRF HA     47 ALA  HN      118.81    
 46 TYRF HB2    46 TYRF HD1     732.83    
 47 ALA  HN     54 HEMC QM3      78.25    
 47 ALA  QB     54 HEMC QM3     480.85    
 48 GLY  HA1    49 CYSH HN     1178.11    
 48 GLY  HA2    49 CYSH HN      218.66    
 49 CYSH HN     49 CYSH HA      328.89    
 49 CYSH HN     49 CYSH HB3     720.91    
 49 CYSH HN     54 HEMC HT2A      0.98    
 49 CYSH HA     49 CYSH HB2     374.73    
 49 CYSH HA     49 CYSH HB3     334.04    
 49 CYSH HA     54 HEMC QM3     568.12    
 49 CYSH HA     54 HEMC HAM    1708.04    
 49 CYSH HB3    50 THR  QG2      15.11    
 49 CYSH HB3    68 TRP  HZ3     175.20    
 50 THR  HA     55 HINX HN      595.21    
 50 THR  HA     55 HINX HB2     314.75    
 50 THR  QG2    55 HINX HB2     182.57    
 51 THR  HG1    54 HEMC QM3    1121.14    
 51 THR  QG2    54 HEMC QM3      11.71    
 53 GLY  HN     54 HEMC HN      413.56    
 54 HEMC HN     54 HEMC HB2      58.91    
 54 HEMC HN     55 HINX HN        5.73    
 54 HEMC HA     54 HEMC HB2     622.13    
 54 HEMC HA     54 HEMC HBM    1192.31    
 54 HEMC HA     55 HINX HN       92.37    
 54 HEMC HB2    54 HEMC QM3      20.15    
 54 HEMC HB2    55 HINX HN     1457.52    
 54 HEMC QT4    54 HEMC QM3    1077.44    
 54 HEMC QM3    54 HEMC HT2A    190.56    
 54 HEMC QM5    54 HEMC HA63   1114.60    
 54 HEMC QM5    54 HEMC HB62    302.00    
 54 HEMC QM5    65 VAL  QG1      23.77    
 54 HEMC HA63   54 HEMC HB62    887.21    
 54 HEMC HA63   54 HEMC HGM     253.96    
 54 HEMC HA63   65 VAL  QG1     555.50    
 54 HEMC HA63   65 VAL  QG2     132.09    
 54 HEMC HB62   54 HEMC HGM     331.07    
 54 HEMC HGM    54 HEMC HA73   2269.58    
 54 HEMC HGM    54 HEMC HB73    133.88    
 54 HEMC HA72   54 HEMC HB73     38.88    
 54 HEMC HA72   54 HEMC QM8     861.45    
 54 HEMC HA73   54 HEMC HB72    271.08    
 54 HEMC HA73   54 HEMC HB73    263.59    
 54 HEMC HA73   54 HEMC QM8      28.57    
 54 HEMC HA73   80 LYS+ HN      137.54    
 54 HEMC HB73   54 HEMC QM8     253.69    
 54 HEMC HB73   65 VAL  QG1     184.03    
 54 HEMC QM8    74 ASP- HB3     119.56    
 54 HEMC QM8    82 THR  HA      455.86    
 55 HINX HN     55 HINX HA      342.91    
 55 HINX HN     55 HINX HB2     742.21    
 55 HINX HN     55 HINX HB3      43.50    
 55 HINX HN     56 ASN  HN       10.79    
 55 HINX HA     55 HINX HB2     101.15    
 55 HINX HA     55 HINX HB3     912.65    
 55 HINX HA     66 ASN  HB3      46.01    
 55 HINX HA     68 TRP  HA        2.80    
 55 HINX HB2    68 TRP  HA      365.72    
 55 HINX HB2    68 TRP  HB2      81.72    
 55 HINX HB3    68 TRP  HN        1.62    
 55 HINX HB3    68 TRP  HA     1050.55    
 55 HINX HB3    68 TRP  HB2     211.70    
 55 HINX HB3    68 TRP  HE3     713.43    
 55 HINX HB3    71 VAL  QG1     113.53    
 60 LYS+ HD2   109 HEMC QM8      12.11    
 65 VAL  QG1    66 ASN  HN       59.46    
 66 ASN  HA     66 ASN  HB3     543.37    
 68 TRP  HE1   109 HEMC HA62   1096.53    
 68 TRP  HE1   109 HEMC HA63    267.57    
 68 TRP  HZ2   109 HEMC QM5     212.58    
 68 TRP  HZ2   109 HEMC HA62    151.26    
 68 TRP  HH2    86 HEMC QT2     146.91    
 69 TYRF HN     69 TYRF HA      200.57    
 69 TYRF HA     69 TYRF HD1     148.97    
 69 TYRF HA     72 VAL  HB      164.36    
 69 TYRF HA     73 HINH HN       72.39    
 69 TYRF HD1   109 HEMC HA72     37.40    
 71 VAL  QG1    72 VAL  HN       20.08    
 72 VAL  HN     72 VAL  HB      948.47    
 72 VAL  HN     72 VAL  QG2     600.90    
 72 VAL  HN     73 HINH HN     1117.47    
 72 VAL  HA     73 HINH HN       66.34    
 72 VAL  QG1   109 HEMC QM5     145.44    
 72 VAL  QG2    73 HINH HN       55.05    
 72 VAL  QG2   109 HEMC QM5     390.67    
 73 HINH HN     73 HINH HA      332.99    
 73 HINH HN     74 ASP- HN     1031.27    
 73 HINH HA     73 HINH HB3     138.43    
 73 HINH HA     84 ILE  HB      159.41    
 81 FPR  HG2    86 HEMC QT4     284.24    
 81 FPR  HG2    86 HEMC QM3      17.63    
 81 FPR  HG3    86 HEMC QT4     264.67    
 81 FPR  HG3    86 HEMC QM3     299.47    
 81 FPR  HB2    86 HEMC HN       53.16    
 81 FPR  HB2    86 HEMC HA       13.64    
 81 FPR  HB2    86 HEMC HB2     219.99    
 81 FPR  HB2    86 HEMC QT4     186.75    
 81 FPR  HB2    86 HEMC QM3    1205.42    
 81 FPR  HB3    86 HEMC HB2     124.68    
 81 FPR  HB3    86 HEMC QT4      17.53    
 84 ILE  HN     84 ILE  HG12    259.22    
 84 ILE  HN     84 ILE  QD1       8.61    
 84 ILE  HA     87 HINX HB2     133.07    
 84 ILE  QD1   102 THR  HA       60.58    
 84 ILE  QD1   104 CYSH HN       22.70    
 84 ILE  QD1   109 HEMC QM3     200.46    
 85 SER  HA     86 HEMC HN       45.34    
 86 HEMC HN     86 HEMC HA      419.55    
 86 HEMC HN     86 HEMC HB3     712.86    
 86 HEMC HN     87 HINX HN      322.03    
 86 HEMC HA     86 HEMC HB3     187.08    
 86 HEMC HA     89 ASP- HN       36.47    
 86 HEMC HA     89 ASP- HB2     148.95    
 86 HEMC HB2    86 HEMC QT4     912.72    
 86 HEMC HB2    86 HEMC QM3     463.45    
 86 HEMC HB3    86 HEMC QT4      54.69    
 86 HEMC HB3    86 HEMC QM3     324.15    
 86 HEMC HB3    87 HINX HN      201.83    
 86 HEMC HT4A   86 HEMC HBM    1925.06    
 86 HEMC QT4    86 HEMC QM3    1987.33    
 86 HEMC QM5    86 HEMC HA62    197.62    
 86 HEMC QM5    86 HEMC HA63    103.24    
 86 HEMC QM5    90 LYS+ HG2      57.72    
 86 HEMC QM5    90 LYS+ HD2     164.81    
 86 HEMC HA62   86 HEMC HB62    431.16    
 86 HEMC HA62   86 HEMC HB63    149.14    
 86 HEMC HA63   86 HEMC HB62     70.40    
 86 HEMC HA63   86 HEMC HB63    349.30    
 86 HEMC HA72   86 HEMC HB72    170.06    
 86 HEMC HA72   86 HEMC HB73    670.38    
 86 HEMC HA72   86 HEMC QM8     843.72    
 86 HEMC HA72  108 ALA  QB     1129.94    
 86 HEMC HA73   86 HEMC HB72    580.58    
 86 HEMC HA73   86 HEMC QM8      51.73    
 86 HEMC HA73  108 ALA  QB      531.91    
 86 HEMC HB73   86 HEMC QM8      63.32    
 86 HEMC QM8   108 ALA  QB     1242.82    
 86 HEMC QM1    86 HEMC QT2    1028.35    
 86 HEMC QM1   109 HEMC HT4A    547.16    
 86 HEMC QM1   109 HEMC HBM     400.91    
 86 HEMC QT2   109 HEMC QM5     156.93    
 87 HINX HN     87 HINX HB2     478.04    
 87 HINX HN     88 LYS+ HN      216.11    
 87 HINX HB2    88 LYS+ HN      257.81    
 87 HINX HB2   102 THR  QG2     294.04    
 87 HINX HB3   101 LEU  HB2     155.70    
 87 HINX HB3   101 LEU  HB3     210.60    
 87 HINX HB3   102 THR  QG2     336.04    
101 LEU  HN    101 LEU  HA      281.57    
101 LEU  HA    101 LEU  HG       24.35    
101 LEU  HA    101 LEU  QD2     440.03    
102 THR  HA    109 HEMC QM3    1130.98    
102 THR  HG1   102 THR  QG2     123.34    
104 CYSH HN    104 CYSH HA       84.19    
104 CYSH HN    104 CYSH HB2     491.99    
104 CYSH HN    104 CYSH HB3      75.59    
104 CYSH HN    105 LYS+ HN      119.66    
104 CYSH HA    104 CYSH HB3     986.73    
104 CYSH HB2   109 HEMC QM1     152.62    
104 CYSH HB3   105 LYS+ HN       30.20    
104 CYSH HB3   109 HEMC QM1     302.75    
107 SER  HN    107 SER  HG      161.29    
107 SER  HG    109 HEMC QM3     112.04    
108 ALA  QB    109 HEMC HN      274.82    
109 HEMC HN    109 HEMC HB2     188.00    
109 HEMC HT4A  109 HEMC HBM    2994.34    
109 HEMC QM5   109 HEMC HA62    773.84    
109 HEMC HA62  109 HEMC HB62    946.42    
109 HEMC HA62  109 HEMC HB63     99.85    
109 HEMC HA63  109 HEMC HGM     647.06    
109 HEMC HB63  109 HEMC HGM    1065.40    
109 HEMC HA72  109 HEMC HB72      6.33    
109 HEMC HA72  109 HEMC HB73    440.47    
109 HEMC HA72  109 HEMC QM8     285.21    
109 HEMC HB72  109 HEMC QM8     382.31    
110 HINX HA    110 HINX HB2     341.16    
110 HINX HA    111 FPR  HD2     793.88    
#Upper volume limits
#80ms DATA
  1 VAL  HA      1 VAL  QG1     251.98     
  1 VAL  HA      1 VAL  QG2     228.20     
  1 VAL  HA      2 ASP- HN     1097.35     
  1 VAL  HB      2 ASP- HN      125.20     
  1 VAL  HB      5 ALA  HA       35.78     
  1 VAL  QG1     2 ASP- HN      173.47     
  1 VAL  QG1     2 ASP- HA       44.25     
  1 VAL  QG1     3 VAL  HN       47.22     
  1 VAL  QG1     3 VAL  HB       36.90     
  1 VAL  QG2     2 ASP- HN      147.60     
  1 VAL  QG2     2 ASP- HA       58.43     
  1 VAL  QG2     3 VAL  HN       42.50     
  1 VAL  QG2    46 TYRF HB3     144.45     
  2 ASP- HN      2 ASP- HA      451.10     
  2 ASP- HN      2 ASP- HB2     693.86     
  2 ASP- HN      2 ASP- HB3     191.12     
  2 ASP- HA      2 ASP- HB2     355.50     
  2 ASP- HA      2 ASP- HB3    1024.90     
  2 ASP- HA      3 VAL  HN     2116.71     
  2 ASP- HA      3 VAL  QG2      65.33     
  2 ASP- HB2     3 VAL  HN      217.90     
  2 ASP- HB3     3 VAL  HN      443.22     
  3 VAL  HN      3 VAL  HA      473.09     
  3 VAL  HN      3 VAL  HB      477.46     
  3 VAL  HN      3 VAL  QG1     609.16     
  3 VAL  HN      5 ALA  HN       43.75     
  3 VAL  QG1     5 ALA  HN       43.67     
  3 VAL  QG1    27 SER  HN       67.46     
  4 FPR  HG2     4 FPR  HA    27577.00     
  4 FPR  HG3     4 FPR  HA    11550.62     
  4 FPR  HG3    27 SER  HN     1625.49     
  5 ALA  HN      5 ALA  HA      598.04     
  5 ALA  HN      5 ALA  QB     1173.12     
  5 ALA  HN      6 ASP- HN      125.88     
  5 ALA  HA      6 ASP- HN     1667.76     
  5 ALA  HA      6 ASP- HA       70.80     
  5 ALA  QB      6 ASP- HN      714.78     
  5 ALA  QB      6 ASP- HA       65.31     
  6 ASP- HN      6 ASP- HA      326.98     
  6 ASP- HN      6 ASP- HB2     653.21     
  6 ASP- HN      6 ASP- HB3    1297.16     
  6 ASP- HN      7 GLY  HN       82.44     
  6 ASP- HA      6 ASP- HB2     681.07     
  6 ASP- HA      6 ASP- HB3     574.29     
  6 ASP- HA      7 GLY  HN     1280.67     
  6 ASP- HA      7 GLY  HA1      46.00     
  6 ASP- HA      7 GLY  HA2     179.95     
  6 ASP- HA      8 ALA  HN      228.76     
  6 ASP- HA      8 ALA  QB       63.36     
  6 ASP- HA     23 VAL  QG1      73.14     
  6 ASP- HA     25 ASN  HB2     457.44     
  6 ASP- HB2     7 GLY  HN      891.28     
  6 ASP- HB2    25 ASN  HA      707.31     
  6 ASP- HB2    46 TYRF HD1      74.49     
  6 ASP- HB2    46 TYRF HD2      74.38     
  6 ASP- HB3     7 GLY  HN      359.62     
  6 ASP- HB3    25 ASN  HD21     48.82     
  7 GLY  HN      7 GLY  HA1     516.02     
  7 GLY  HN      7 GLY  HA2     875.32     
  7 GLY  HN      8 ALA  HN      546.13     
  7 GLY  HN     23 VAL  QG1     268.29     
  7 GLY  HN     25 ASN  HA     1344.53     
  7 GLY  HN     25 ASN  HB2      55.82     
  7 GLY  HN     46 TYRF HB3      92.71     
  7 GLY  HA1     8 ALA  HN      364.88     
  7 GLY  HA1    23 VAL  QG1     451.03     
  7 GLY  HA1    25 ASN  HN       45.12     
  7 GLY  HA2     8 ALA  HN      345.31     
  7 GLY  HA2    23 VAL  QG1     999.51     
  7 GLY  HA2    23 VAL  QG2      72.92     
  7 GLY  HA2    25 ASN  HN       50.56     
  7 GLY  HA2    25 ASN  HD21     32.17     
  8 ALA  HN      8 ALA  HA      476.00     
  8 ALA  HN      8 ALA  QB     1086.15     
  8 ALA  HN     23 VAL  HA       49.09     
  8 ALA  HN     23 VAL  QG1     183.50     
  8 ALA  HN     24 PHE  HN      318.48     
  8 ALA  HN     24 PHE  HA       46.20     
  8 ALA  HN     25 ASN  HA      239.89     
  8 ALA  HA      9 LYS+ HN     2283.42     
  8 ALA  HA      9 LYS+ HA      125.24     
  8 ALA  QB      9 LYS+ HN      277.28     
  8 ALA  QB     10 ILE  QD1     108.51     
  8 ALA  QB     23 VAL  QG1      53.03     
  8 ALA  QB     23 VAL  QG2      46.33     
  8 ALA  QB     24 PHE  HN      235.64     
  9 LYS+ HN      9 LYS+ HA      240.22     
  9 LYS+ HN      9 LYS+ HB2    2096.67     
  9 LYS+ HN      9 LYS+ HB3    1556.60     
  9 LYS+ HN      9 LYS+ HG2      97.25     
  9 LYS+ HN      9 LYS+ HG3      97.25     
  9 LYS+ HN      9 LYS+ HD2    1612.43     
  9 LYS+ HN      9 LYS+ HD3     547.82     
  9 LYS+ HN     23 VAL  QG1      41.32     
  9 LYS+ HN     24 PHE  HN       39.09     
  9 LYS+ HA      9 LYS+ HG2     307.51     
  9 LYS+ HA      9 LYS+ HG3     307.51     
  9 LYS+ HA      9 LYS+ HD3     716.73     
  9 LYS+ HA     10 ILE  HN     4424.53     
  9 LYS+ HA     10 ILE  HG12    102.48     
  9 LYS+ HA     22 VAL  HN       72.17     
  9 LYS+ HA     23 VAL  QG1      88.65     
  9 LYS+ HA     23 VAL  QG2     318.30     
  9 LYS+ HA     24 PHE  HN     2933.78     
  9 LYS+ HB3    11 ASP- HN      351.74     
  9 LYS+ HB3    22 VAL  HN       35.81     
  9 LYS+ HG2     9 LYS+ HD3    1874.94     
  9 LYS+ HG2     9 LYS+ HE2     345.73     
  9 LYS+ HG2     9 LYS+ HE3     347.24     
  9 LYS+ HG2    21 THR  HB     1017.06     
  9 LYS+ HG3     9 LYS+ HD3    1874.94     
  9 LYS+ HG3     9 LYS+ HE2     345.83     
  9 LYS+ HG3     9 LYS+ HE3     345.83     
  9 LYS+ HG3    21 THR  HB     1018.47     
  9 LYS+ HD3     9 LYS+ HE2     294.23     
  9 LYS+ HD3     9 LYS+ HE3     463.36     
  9 LYS+ HD3    10 ILE  HN      427.19     
  9 LYS+ HD3    21 THR  HB      224.96     
  9 LYS+ HD3    23 VAL  HA      330.22     
  9 LYS+ HD3    23 VAL  QG2    2886.97     
  9 LYS+ HE2    23 VAL  QG2     410.77     
  9 LYS+ HE3    23 VAL  QG2     410.64     
 10 ILE  HN     10 ILE  HA      475.88     
 10 ILE  HN     10 ILE  HB      780.37     
 10 ILE  HN     10 ILE  QG2     149.97     
 10 ILE  HN     10 ILE  HG12    397.11     
 10 ILE  HN     10 ILE  HG13    219.57     
 10 ILE  HN     10 ILE  QD1     105.43     
 10 ILE  HN     11 ASP- HN       87.48     
 10 ILE  HN     21 THR  QG2     206.69     
 10 ILE  HN     22 VAL  HN      397.38     
 10 ILE  HN     22 VAL  HB      109.95     
 10 ILE  HN     23 VAL  HA      272.59     
 10 ILE  HA     10 ILE  HB      460.30     
 10 ILE  HA     10 ILE  QG2     727.16     
 10 ILE  HA     10 ILE  HG12    216.23     
 10 ILE  HA     10 ILE  HG13    437.93     
 10 ILE  HA     10 ILE  QD1     154.05     
 10 ILE  HA     11 ASP- HN     2338.35     
 10 ILE  HA     12 PHEF HA       43.82     
 10 ILE  HA     12 PHEF HQD1     47.19     
 10 ILE  HA     12 PHEF HQD2     46.94     
 10 ILE  HA     12 PHEF HQE1    108.17     
 10 ILE  HA     12 PHEF HQE2    107.60     
 10 ILE  HA     12 PHEF HZ       46.99     
 10 ILE  HA     22 VAL  HN       45.61     
 10 ILE  HB     10 ILE  HG12    233.14     
 10 ILE  HB     10 ILE  HG13    345.97     
 10 ILE  HB     10 ILE  QD1     493.53     
 10 ILE  HB     11 ASP- HN       83.22     
 10 ILE  HB     22 VAL  HN      492.45     
 10 ILE  HB     22 VAL  HB      686.79     
 10 ILE  HB     22 VAL  QG1     134.78     
 10 ILE  HB     68 TRP  HZ2     123.80     
 10 ILE  QG2    10 ILE  HG12    529.57     
 10 ILE  QG2    10 ILE  QD1     903.52     
 10 ILE  QG2    11 ASP- HN      288.90     
 10 ILE  QG2    11 ASP- HA       78.61     
 10 ILE  QG2    12 PHEF HN      220.09     
 10 ILE  QG2    12 PHEF HB2      61.73     
 10 ILE  QG2    12 PHEF HQD1    645.26     
 10 ILE  QG2    12 PHEF HQD2    638.89     
 10 ILE  QG2    12 PHEF HQE1    378.72     
 10 ILE  QG2    12 PHEF HQE2    270.16     
 10 ILE  QG2    12 PHEF HZ       89.85     
 10 ILE  QG2    13 ILE  HN       84.99     
 10 ILE  QG2    22 VAL  HN       73.47     
 10 ILE  QG2    22 VAL  HB      163.00     
 10 ILE  QG2    24 PHE  HB3     104.42     
 10 ILE  QG2    68 TRP  HD1      75.21     
 10 ILE  QG2    68 TRP  HE1     386.15     
 10 ILE  QG2    68 TRP  HZ2    1316.31     
 10 ILE  QG2    68 TRP  HH2     145.89     
 10 ILE  HG12   24 PHE  HB3     149.92     
 10 ILE  HG13   11 ASP- HN       92.68     
 10 ILE  HG13   12 PHEF HD1      45.79     
 10 ILE  HG13   12 PHEF HD2      45.34     
 10 ILE  HG13   12 PHEF HQE1     97.55     
 10 ILE  HG13   12 PHEF HQE2     96.61     
 10 ILE  HG13   23 VAL  HA       36.35     
 10 ILE  HG13   24 PHE  HB3     223.16     
 10 ILE  QD1    12 PHEF HQE1    102.86     
 10 ILE  QD1    12 PHEF HQE2    101.20     
 10 ILE  QD1    12 PHEF HZ       71.02     
 10 ILE  QD1    23 VAL  HA       52.81     
 10 ILE  QD1    24 PHE  HN       73.04     
 10 ILE  QD1    24 PHE  HA       59.86     
 10 ILE  QD1    24 PHE  HB2     236.92     
 10 ILE  QD1    24 PHE  HB3     455.56     
 10 ILE  QD1    68 TRP  HZ2     267.65     
 10 ILE  QD1    68 TRP  HH2     115.60     
 11 ASP- HN     11 ASP- HA      359.52     
 11 ASP- HN     11 ASP- HB2     149.00     
 11 ASP- HN     11 ASP- HB3     228.25     
 11 ASP- HN     12 PHEF HN      235.53     
 11 ASP- HN     12 PHEF HQD1    145.58     
 11 ASP- HN     12 PHEF HQD2    144.98     
 11 ASP- HN     12 PHEF HQE1     88.10     
 11 ASP- HN     12 PHEF HQE2     87.70     
 11 ASP- HN     21 THR  HB       33.38     
 11 ASP- HA     11 ASP- HB2     686.54     
 11 ASP- HA     11 ASP- HB3     317.19     
 11 ASP- HA     12 PHEF HN      995.08     
 11 ASP- HA     13 ILE  HN      240.35     
 11 ASP- HA     14 ALA  QB       35.21     
 11 ASP- HA     21 THR  QG2     108.65     
 11 ASP- HB2    21 THR  QG2     668.20     
 11 ASP- HB2    40 GLN  HA       43.94     
 11 ASP- HB3    21 THR  QG2     246.17     
 12 PHEF HN     12 PHEF HB2     640.36     
 12 PHEF HN     12 PHEF HB3     249.76     
 12 PHEF HN     12 PHEF HQD1    343.12     
 12 PHEF HN     12 PHEF HQD2    341.14     
 12 PHEF HA     12 PHEF HD1     270.17     
 12 PHEF HA     12 PHEF HD2     270.17     
 12 PHEF HB2    12 PHEF HQD1    847.27     
 12 PHEF HB2    12 PHEF HQD2    843.12     
 12 PHEF HB2    12 PHEF HE1     126.70     
 12 PHEF HB2    12 PHEF HE2     126.70     
 12 PHEF HB2    50 THR  QG2     133.62     
 12 PHEF HB3    12 PHEF HD1     712.28     
 12 PHEF HB3    12 PHEF HD2     724.60     
 12 PHEF HB3    12 PHEF HE1      83.11     
 12 PHEF HB3    12 PHEF HE2      82.65     
 12 PHEF HB3    13 ILE  HN      136.37     
 12 PHEF HB3    50 THR  QG2     247.34     
 12 PHEF HB3    58 LEU  QD1     134.82     
 12 PHEF HB3    58 LEU  QD2     292.95     
 12 PHEF HB3    68 TRP  HD1      76.64     
 12 PHEF HB3    68 TRP  HE1     116.27     
 12 PHEF HD1    13 ILE  QG2      77.33     
 12 PHEF HD1    58 LEU  QD2      77.33
 12 PHEF HD1    50 THR  QG2     390.99     
 12 PHEF HD1    68 TRP  HD1      45.08     
 12 PHEF HQD1   68 TRP  HE1     592.81     
 12 PHEF HQD1   68 TRP  HZ2     263.04     
 12 PHEF HD2    13 ILE  QG2      76.83
 12 PHEF HD2    58 LEU  QD2      77.33     
 12 PHEF HD2    50 THR  QG2     389.54     
 12 PHEF HD2    68 TRP  HE1     584.36     
 12 PHEF HQD2   68 TRP  HZ2     259.35     
 12 PHEF HQE1   50 THR  QG2     126.69     
 12 PHEF HQE1   68 TRP  HD1      72.03     
 12 PHEF HQE1   68 TRP  HE1     118.28     
 12 PHEF HQE1   68 TRP  HZ2     110.36     
 12 PHEF HQE1   68 TRP  HH2      57.16     
 12 PHEF HQE2   50 THR  QG2     126.05     
 12 PHEF HQE2   68 TRP  HD1      71.43     
 12 PHEF HQE2   68 TRP  HE1     116.94     
 12 PHEF HQE2   68 TRP  HZ2     108.88     
 12 PHEF HQE2   68 TRP  HH2      55.96     
 12 PHEF HZ     50 THR  QG2      64.19     
 13 ILE  HN     13 ILE  HA      388.85     
 13 ILE  HN     13 ILE  HG12    186.74     
 13 ILE  HN     13 ILE  QG2     286.03     
 13 ILE  HN     13 ILE  HB     2668.02     
 13 ILE  HN     13 ILE  HG13   2818.67     
 13 ILE  HN     13 ILE  QD1     229.59     
 13 ILE  HN     58 LEU  QD2     278.71     
 13 ILE  HN     68 TRP  HD1     265.48     
 13 ILE  HA     14 ALA  HN      846.92     
 13 ILE  HG12   58 LEU  HA      485.79     
 13 ILE  HG12   68 TRP  HD1     420.04     
 13 ILE  QG2    13 ILE  HG13   2884.21     
 13 ILE  QG2    13 ILE  QD1    2661.99     
 13 ILE  QG2    14 ALA  HN      629.66     
 13 ILE  HB     58 LEU  HA      133.42     
 13 ILE  HB     68 TRP  HD1    1242.49     
 13 ILE  HB     68 TRP  HE1     776.03     
 13 ILE  HG13   58 LEU  HA      138.02     
 13 ILE  HG13   68 TRP  HD1    1026.54     
 13 ILE  HG13   68 TRP  HE1     809.06     
 13 ILE  QD1    68 TRP  HD1     662.24     
 13 ILE  QD1    68 TRP  HE1     186.18     
 13 ILE  QD1    69 TYRF HN      149.40     
 13 ILE  QD1    69 TYRF HA      187.02     
 14 ALA  HN     14 ALA  QB      940.12     
 14 ALA  HN     58 LEU  QD1    1147.77     
 14 ALA  HA     15 GLY  HN      316.17     
 14 ALA  QB     15 GLY  HN      282.54     
 14 ALA  QB     19 ASN  HB2      17.75     
 14 ALA  QB     20 LEU  HN       44.59     
 14 ALA  QB     69 TYRF HN       39.37     
 15 GLY  HN     15 GLY  HA2     398.30     
 15 GLY  HN     19 ASN  HA     1701.99     
 15 GLY  HN     19 ASN  HB3     106.31     
 15 GLY  HA2    19 ASN  HA      254.18     
 16 GLY  HN     16 GLY  HA1     537.52     
 16 GLY  HN     16 GLY  HA2     567.55     
 16 GLY  HN     19 ASN  HB3     241.84     
 17 GLU- HN     17 GLU- HB2    3860.37     
 17 GLU- HN     17 GLU- HB3    3859.78     
 17 GLU- HA     17 GLU- HB2    2001.55     
 17 GLU- HA     17 GLU- HB3    2001.75     
 18 LYS+ HN     18 LYS+ HG2     684.69     
 18 LYS+ HN     18 LYS+ HG3     684.29     
 18 LYS+ HN     18 LYS+ HD2     238.70     
 18 LYS+ HN     18 LYS+ HD3     238.70     
 18 LYS+ HA     18 LYS+ HB2     809.47     
 18 LYS+ HA     18 LYS+ HB3     812.00     
 19 ASN  HN     19 ASN  HB2    1271.76     
 19 ASN  HN     19 ASN  HB3     371.37     
 19 ASN  HA     19 ASN  HB3     321.73     
 19 ASN  HA     20 LEU  HN      526.93     
 19 ASN  HB2    19 ASN  HD21   1243.01     
 19 ASN  HB2    19 ASN  HD22    243.51     
 19 ASN  HB3    19 ASN  HD21    366.07     
 19 ASN  HB3    19 ASN  HD22    317.15     
 19 ASN  HD21   21 THR  QG2     155.57     
 19 ASN  HD22   21 THR  QG2      66.65     
 20 LEU  HN     20 LEU  HA      187.70     
 20 LEU  HA     20 LEU  HB2    1392.82     
 20 LEU  HA     20 LEU  HB3    1339.69     
 20 LEU  HA     20 LEU  HG      214.46     
 20 LEU  HA     20 LEU  QD1     152.26     
 20 LEU  HA     21 THR  HN      862.26     
 20 LEU  HA     21 THR  HB       56.56     
 20 LEU  QD1    21 THR  HN       59.78     
 20 LEU  QD1    79 ALA  HN       48.34     
 21 THR  HN     21 THR  HA      233.58     
 21 THR  HN     21 THR  HB      250.77     
 21 THR  HN     21 THR  QG2     124.87     
 21 THR  HN     22 VAL  HN     1680.46     
 21 THR  HA     21 THR  HB      334.25     
 21 THR  HA     22 VAL  HN     1502.15     
 21 THR  HB     22 VAL  HN      168.13     
 21 THR  QG2    22 VAL  HN      361.59     
 22 VAL  HN     22 VAL  HA      258.31     
 22 VAL  HA     22 VAL  HB      155.87     
 22 VAL  HA     22 VAL  QG1     267.55     
 22 VAL  HA     23 VAL  HN     1284.22     
 22 VAL  HA     23 VAL  QG2      74.32     
 22 VAL  HA     24 PHE  HN      539.34     
 23 VAL  HN     23 VAL  HA      236.12     
 23 VAL  HN     23 VAL  HB      835.40     
 23 VAL  HN     23 VAL  QG1     137.70     
 23 VAL  HN     23 VAL  QG2     570.08     
 23 VAL  HA     23 VAL  HB      347.94     
 23 VAL  HA     23 VAL  QG1     513.31     
 23 VAL  HA     23 VAL  QG2     646.32     
 23 VAL  HA     24 PHE  HN     2039.84     
 23 VAL  HB     24 PHE  HN       87.40     
 23 VAL  QG1    24 PHE  HN      428.57     
 23 VAL  QG1    25 ASN  HD21    171.92     
 23 VAL  QG1    25 ASN  HD22    347.40     
 23 VAL  QG2    24 PHE  HN      188.93     
 24 PHE  HN     24 PHE  HA     1390.14     
 24 PHE  HN     24 PHE  HB2     459.77     
 24 PHE  HN     24 PHE  HB3     440.07     
 24 PHE  HA     24 PHE  HB3     496.13     
 24 PHE  HA     25 ASN  HN      460.26     
 24 PHE  HB2    25 ASN  HN       68.07     
 25 ASN  HN     25 ASN  HB2     299.52     
 25 ASN  HN     25 ASN  HB3     278.80     
 25 ASN  HA     25 ASN  HB2     482.45     
 25 ASN  HA     25 ASN  HB3     307.76     
 25 ASN  HB2    25 ASN  HD21    534.85     
 25 ASN  HB2    25 ASN  HD22    212.25     
 25 ASN  HB2    27 SER  HN      203.47     
 25 ASN  HB3    25 ASN  HD21    398.43     
 25 ASN  HB3    25 ASN  HD22    275.38     
 25 ASN  HB3    27 SER  HN      101.34     
 27 SER  HN     27 SER  HA      401.93     
 27 SER  HN     27 SER  HB2     204.19     
 27 SER  HN     27 SER  HB3     326.88     
 27 SER  HN     28 THR  QG2      67.46
 27 SER  HA     27 SER  HB2     679.70     
 27 SER  HA     27 SER  HB3     752.89     
 27 SER  HA     28 THR  HN      170.11     
 27 SER  HB3    28 THR  HN       46.54     
 28 THR  HN     28 THR  HA      244.55     
 28 THR  HN     28 THR  QG2     672.51     
 28 THR  HA     28 THR  QG2    1191.17     
 28 THR  HA     30 LYS+ HN      143.08     
 30 LYS+ HN     30 LYS+ HA      772.36     
 30 LYS+ HN     30 LYS+ HB2    3208.48     
 30 LYS+ HN     30 LYS+ HB3    4595.74     
 30 LYS+ HN     30 LYS+ HG2    3218.44     
 30 LYS+ HN     30 LYS+ HD2     485.79     
 30 LYS+ HN     30 LYS+ HD3     485.79     
 30 LYS+ HN     31 ASP- HN      960.75     
 30 LYS+ HA     30 LYS+ HB2     837.69     
 30 LYS+ HA     30 LYS+ HB3     837.69     
 30 LYS+ HA     30 LYS+ HG2    1340.84     
 30 LYS+ HA     30 LYS+ HG3     219.18     
 30 LYS+ HA     30 LYS+ HD2     325.67     
 30 LYS+ HA     30 LYS+ HD3     325.94     
 30 LYS+ HA     31 ASP- HN      212.75     
 30 LYS+ HA     31 ASP- HA       65.42     
 30 LYS+ HB2    30 LYS+ HG3     498.17     
 30 LYS+ HB2    30 LYS+ HD2    1048.18     
 30 LYS+ HB2    30 LYS+ HD3    1050.29     
 30 LYS+ HB2    31 ASP- HN      168.64     
 30 LYS+ HB3    30 LYS+ HG3     498.17     
 30 LYS+ HG3    31 ASP- HN     1192.64     
 30 LYS+ HG3    31 ASP- HA      776.67     
 30 LYS+ HD2    30 LYS+ HE2     922.28     
 30 LYS+ HD2    30 LYS+ HE3     925.44     
 30 LYS+ HD2    31 ASP- HN      189.73     
 30 LYS+ HD3    30 LYS+ HE2     946.09     
 30 LYS+ HD3    30 LYS+ HE3     946.09     
 30 LYS+ HD3    31 ASP- HN      189.73     
 31 ASP- HN     31 ASP- HA      503.24     
 31 ASP- HN     31 ASP- HB2     454.57     
 31 ASP- HN     31 ASP- HB3     691.66     
 31 ASP- HN     32 VAL  HN      925.10     
 31 ASP- HA     31 ASP- HB3     704.98     
 31 ASP- HA     32 VAL  HN      321.56     
 31 ASP- HA     32 VAL  HA       45.51     
 31 ASP- HB2    32 VAL  HN      265.51     
 31 ASP- HB3    32 VAL  HN      158.08     
 32 VAL  HN     32 VAL  HA      477.89     
 32 VAL  HN     32 VAL  HB     3801.32     
 32 VAL  HN     32 VAL  QG1     129.70     
 32 VAL  HA     32 VAL  QG1     712.93     
 32 VAL  HA     32 VAL  QG2     505.61     
 32 VAL  HA     33 LYS+ HN     1569.34     
 32 VAL  HB     33 LYS+ HN      422.60     
 32 VAL  QG1    33 LYS+ HN      522.38     
 32 VAL  QG1    33 LYS+ HB3     121.77     
 32 VAL  QG1    34 CYSH HN       62.62     
 32 VAL  QG1    36 ASP- HN      144.83     
 32 VAL  QG1    36 ASP- HA       82.27     
 32 VAL  QG1    36 ASP- HB2     286.49     
 32 VAL  QG1    36 ASP- HB3     683.90     
 33 LYS+ HN     33 LYS+ HA      282.90     
 33 LYS+ HN     33 LYS+ HB2    1172.57     
 33 LYS+ HN     33 LYS+ HB3     448.61     
 33 LYS+ HN     36 ASP- HB3      85.51     
 33 LYS+ HA     33 LYS+ HB2     856.49     
 33 LYS+ HA     33 LYS+ HB3     801.93     
 33 LYS+ HA     33 LYS+ HE2     332.28     
 33 LYS+ HA     33 LYS+ HE3     332.08     
 33 LYS+ HA     36 ASP- HN      103.61     
 33 LYS+ HB2    35 ASP- HN      195.92     
 33 LYS+ HB3    35 ASP- HN      303.94     
 33 LYS+ HB3    36 ASP- HN      207.45     
 33 LYS+ HB3    36 ASP- HA      743.85     
 33 LYS+ HG2    35 ASP- HN       64.72     
 33 LYS+ HG3    35 ASP- HN       64.97     
 35 ASP- HN     35 ASP- HA      468.03     
 35 ASP- HN     35 ASP- HB2     109.25     
 35 ASP- HN     35 ASP- HB3     331.30     
 35 ASP- HN     36 ASP- HN      592.07     
 35 ASP- HN     36 ASP- HA       55.33     
 35 ASP- HA     35 ASP- HB2     841.68     
 35 ASP- HA     35 ASP- HB3     788.86     
 35 ASP- HA     36 ASP- HN      199.51     
 35 ASP- HA     40 GLN  HN       63.62     
 35 ASP- HA     45 GLN  HG3      53.74     
 35 ASP- HA     45 GLN  HE21    153.23     
 35 ASP- HA     45 GLN  HE22    174.19     
 35 ASP- HB2    40 GLN  HN       58.42     
 35 ASP- HB2    40 GLN  HA       42.02     
 35 ASP- HB2    45 GLN  HE21    253.91     
 35 ASP- HB2    45 GLN  HE22    258.30     
 35 ASP- HB3    45 GLN  HE21    301.78     
 35 ASP- HB3    45 GLN  HE22    533.14     
 36 ASP- HN     36 ASP- HA      393.40     
 36 ASP- HN     36 ASP- HB2     788.22     
 36 ASP- HN     36 ASP- HB3     957.07     
 36 ASP- HA     36 ASP- HB2     582.03     
 36 ASP- HA     36 ASP- HB3     415.97     
 36 ASP- HA     37 HEMC HN      164.54     
 36 ASP- HA     80 LYS+ HG3     458.12     
 36 ASP- HB2    81 FPR  HG2    2216.71     
 36 ASP- HB3    40 GLN  HN       91.38     
 36 ASP- HB3    81 FPR  HG2     129.54     
 40 GLN  HN     41 FPR  HD2      79.32     
 40 GLN  HN     44 LYS+ HB3      56.73     
 40 GLN  HN     45 GLN  HN       57.42     
 40 GLN  HN     45 GLN  HG3      91.38
 40 GLN  HN     45 GLN  HB3      91.38
 40 GLN  HA     40 GLN  HG3     133.78     
 40 GLN  HA     41 FPR  HD2    1365.86     
 40 GLN  HA     41 FPR  HD3    1449.01     
 40 GLN  HA     41 FPR  HG2      98.03     
 40 GLN  HA     41 FPR  HG3      81.15     
 40 GLN  HA     45 GLN  HB2      49.04     
 40 GLN  HB2    40 GLN  HG3    1516.57     
 40 GLN  HB2    44 LYS+ HN       70.37     
 40 GLN  HB2    45 GLN  HA     1295.46     
 41 FPR  HD2    41 FPR  HG2     476.54     
 41 FPR  HD2    41 FPR  HG3     291.17     
 41 FPR  HD2    41 FPR  HA       78.42     
 41 FPR  HD2    41 FPR  HB2     155.33     
 41 FPR  HD2    41 FPR  HB3     142.68     
 41 FPR  HD2    46 TYRF HN       47.24     
 41 FPR  HD3    41 FPR  HA       62.60     
 41 FPR  HD3    41 FPR  HB2     150.29     
 41 FPR  HG2    41 FPR  HA      112.37     
 41 FPR  HG2    45 GLN  HN       37.31     
 41 FPR  HG3    41 FPR  HA       68.37     
 41 FPR  HA     41 FPR  HB2     384.74     
 41 FPR  HA     41 FPR  HB3     799.67     
 41 FPR  HA     42 GLY  HN     1090.24     
 41 FPR  HA     42 GLY  HA2      60.90     
 41 FPR  HA     45 GLN  HB2     102.43     
 41 FPR  HA     45 GLN  HG2      80.03     
 41 FPR  HA     45 GLN  HE21     81.35     
 41 FPR  HA     45 GLN  HE22     66.02     
 41 FPR  HA     46 TYRF HN       37.35     
 41 FPR  HB2    42 GLY  HN      198.79     
 41 FPR  HB3    42 GLY  HN      242.32     
 42 GLY  HN     42 GLY  HA2    3902.17     
 42 GLY  HN     45 GLN  HB2     341.88     
 42 GLY  HA1    46 TYRF HD1      59.16     
 42 GLY  HA1    46 TYRF HD2      62.08     
 43 ASP- HN     43 ASP- HA      304.94     
 43 ASP- HA     44 LYS+ HN      326.40     
 44 LYS+ HN     44 LYS+ HA      309.28     
 44 LYS+ HN     44 LYS+ HB2     296.35     
 44 LYS+ HN     44 LYS+ HG2    1156.77     
 44 LYS+ HN     44 LYS+ HD2      77.89     
 44 LYS+ HN     44 LYS+ HD3     198.38     
 44 LYS+ HN     45 GLN  HN      943.38     
 44 LYS+ HN     45 GLN  HB2     201.82     
 44 LYS+ HA     44 LYS+ HB2     771.18     
 44 LYS+ HA     44 LYS+ HB3     586.67     
 44 LYS+ HA     44 LYS+ HG2    1711.22     
 44 LYS+ HA     44 LYS+ HG3     270.13     
 44 LYS+ HA     44 LYS+ HD2     534.03     
 44 LYS+ HA     44 LYS+ HD3     477.44     
 44 LYS+ HA     44 LYS+ HE2    2056.75     
 44 LYS+ HA     44 LYS+ HE3    2064.09     
 44 LYS+ HA     45 GLN  HN      272.41     
 44 LYS+ HA     46 TYRF HN     1813.43     
 44 LYS+ HB2    44 LYS+ HG3     155.63     
 44 LYS+ HB2    44 LYS+ HD2     378.55     
 44 LYS+ HB2    44 LYS+ HD3     378.55     
 44 LYS+ HG3    44 LYS+ HD3     152.10     
 45 GLN  HN     45 GLN  HA      559.11     
 45 GLN  HN     45 GLN  HB2    1143.68     
 45 GLN  HN     45 GLN  HB3    1036.37     
 45 GLN  HN     45 GLN  HG3    1125.94     
 45 GLN  HN     46 TYRF HN      481.43     
 45 GLN  HA     45 GLN  HB2     769.21     
 45 GLN  HA     45 GLN  HB3    1123.28     
 45 GLN  HA     45 GLN  HG2    1224.52     
 45 GLN  HA     45 GLN  HG3    1244.45     
 45 GLN  HA     46 TYRF HN      131.29     
 45 GLN  HB2    45 GLN  HE22    595.22     
 45 GLN  HB2    46 TYRF HN      333.09     
 45 GLN  HB3    45 GLN  HE21    304.51     
 45 GLN  HB3    45 GLN  HE22    315.05     
 45 GLN  HB3    46 TYRF HN      865.34     
 45 GLN  HG2    45 GLN  HE21    509.44     
 45 GLN  HG2    45 GLN  HE22    806.22     
 45 GLN  HG2    46 TYRF HN     2531.08     
 45 GLN  HG2    46 TYRF HA     7180.39     
 45 GLN  HG3    45 GLN  HE21    327.07     
 45 GLN  HG3    45 GLN  HE22    340.43     
 45 GLN  HG3    46 TYRF HN      949.49     
 46 TYRF HN     46 TYRF HB2     996.71     
 46 TYRF HN     47 ALA  HN      841.05     
 46 TYRF HN     47 ALA  QB       97.82     
 46 TYRF HA     46 TYRF HB3    2049.12     
 46 TYRF HD1    47 ALA  HN       34.37     
 47 ALA  HN     47 ALA  HA      967.57     
 47 ALA  HN     47 ALA  QB      589.50     
 47 ALA  HN     48 GLY  HN      534.46     
 47 ALA  HA     48 GLY  HN      933.14     
 47 ALA  HA     48 GLY  HA2      93.32     
 47 ALA  QB     48 GLY  HN      359.89     
 48 GLY  HN     48 GLY  HA1     494.69     
 48 GLY  HN     48 GLY  HA2    1144.84     
 48 GLY  HN     51 THR  QG2     175.89     
 48 GLY  HA1    51 THR  HN      590.69     
 48 GLY  HA2    50 THR  HN       61.24     
 50 THR  HA     50 THR  QG2     530.84     
 50 THR  HA     51 THR  HN      214.73     
 50 THR  HA     58 LEU  QD2      75.35     
 50 THR  HB     58 LEU  QD2     412.56     
 50 THR  QG2    51 THR  HN      105.08     
 50 THR  QG2    51 THR  HA       47.11     
 50 THR  QG2    58 LEU  QD2     455.72     
 50 THR  QG2    68 TRP  HA      103.32     
 50 THR  QG2    68 TRP  HB2     499.74     
 50 THR  QG2    68 TRP  HB3     123.09     
 50 THR  QG2    68 TRP  HD1     625.95     
 50 THR  QG2    68 TRP  HE3     207.59     
 50 THR  QG2    68 TRP  HE1     105.49     
 50 THR  QG2    68 TRP  HZ2      56.64     
 51 THR  HN     51 THR  HA     1146.01     
 51 THR  HN     51 THR  HB      580.56     
 51 THR  HN     51 THR  QG2     395.53     
 51 THR  HN     52 ASP- HN       80.50     
 51 THR  HN     56 ASN  HA       48.62     
 51 THR  HA     51 THR  HB     1035.88     
 51 THR  HA     52 ASP- HN     3410.79     
 51 THR  QG2    52 ASP- HN     1598.09     
 51 THR  QG2    52 ASP- HB2     154.71     
 52 ASP- HN     52 ASP- HA     2287.62     
 52 ASP- HN     52 ASP- HB2    2764.02     
 52 ASP- HN     52 ASP- HB3    2758.90     
 52 ASP- HN     56 ASN  HB3     510.19     
 52 ASP- HA     53 GLY  HN      788.47     
 52 ASP- HA     53 GLY  HA2     260.96     
 52 ASP- HA     56 ASN  HB2     257.47     
 52 ASP- HA     56 ASN  HB3     240.07     
 52 ASP- HA     56 ASN  HD21    148.59     
 52 ASP- HA     56 ASN  HD22    132.57     
 53 GLY  HN     53 GLY  HA1    1886.88     
 53 GLY  HN     53 GLY  HA2     624.06     
 53 GLY  HN     56 ASN  HB2     615.90     
 53 GLY  HN     56 ASN  HB3      43.78     
 53 GLY  HN     56 ASN  HD22    113.10     
 56 ASN  HN     56 ASN  HA      477.94     
 56 ASN  HN     56 ASN  HB2     253.62     
 56 ASN  HN     56 ASN  HB3     348.61     
 56 ASN  HN     56 ASN  HD21     99.91     
 56 ASN  HN     57 ILE  HN      593.42     
 56 ASN  HN     66 ASN  HA      187.50     
 56 ASN  HN     66 ASN  HB3     256.01     
 56 ASN  HA     56 ASN  HB2     717.53     
 56 ASN  HA     56 ASN  HB3     662.23     
 56 ASN  HA     56 ASN  HD21     51.08     
 56 ASN  HA     57 ILE  HN      207.53     
 56 ASN  HB2    56 ASN  HD21   1029.49     
 56 ASN  HB2    56 ASN  HD22    231.01     
 56 ASN  HB3    56 ASN  HD21    298.45     
 56 ASN  HB3    56 ASN  HD22    100.08     
 57 ILE  HN     57 ILE  HA      320.02     
 57 ILE  HN     57 ILE  HB      580.74     
 57 ILE  HN     57 ILE  QG2     345.60     
 57 ILE  HN     57 ILE  HG12    337.42     
 57 ILE  HN     57 ILE  HG13    337.42     
 57 ILE  HN     57 ILE  QD1     116.81     
 57 ILE  HN     58 LEU  QD2      50.93     
 57 ILE  HN     66 ASN  HB3     109.46     
 57 ILE  HN     67 SER  HA      171.69     
 57 ILE  HN     67 SER  HB3      40.39     
 57 ILE  HA     57 ILE  HB      199.99     
 57 ILE  HA     57 ILE  QG2     544.25     
 57 ILE  HA     57 ILE  HG12    677.22     
 57 ILE  HA     57 ILE  HG13    686.03     
 57 ILE  HA     57 ILE  QD1     235.50     
 57 ILE  HA     58 LEU  HN     1333.69     
 57 ILE  HA     58 LEU  HA       79.75     
 57 ILE  HA     58 LEU  HB2     298.98     
 57 ILE  HA     58 LEU  HB3     300.11     
 57 ILE  HA     59 ASP- HN       75.67     
 57 ILE  HA     67 SER  HA       77.76     
 57 ILE  HB     57 ILE  QD1     406.21     
 57 ILE  HB     58 LEU  HN       92.65     
 57 ILE  HB     66 ASN  HB3      66.05     
 57 ILE  HB     67 SER  HA      883.07     
 57 ILE  QG2    58 LEU  HN      432.95     
 57 ILE  QG2    58 LEU  HA       71.97     
 57 ILE  QG2    59 ASP- HN      670.90     
 57 ILE  QG2    60 LYS+ HN      773.70     
 57 ILE  QG2    62 ASP- HN      366.17     
 57 ILE  QG2    62 ASP- HB2     423.13     
 57 ILE  QG2    62 ASP- HB3     798.07     
 57 ILE  QG2    67 SER  HA      207.70     
 57 ILE  QG2    67 SER  HB3      68.68     
 57 ILE  HG12   58 LEU  HN       80.82     
 57 ILE  HG13   58 LEU  HN       81.79     
 57 ILE  QD1    58 LEU  HN       57.83     
 57 ILE  QD1    62 ASP- HN       54.42     
 57 ILE  QD1    62 ASP- HB3     354.77     
 57 ILE  QD1    64 SER  HN      446.25     
 57 ILE  QD1    66 ASN  HB2     136.00     
 57 ILE  QD1    66 ASN  HB3     452.64     
 57 ILE  QD1    67 SER  HA       55.66     
 57 ILE  QD1    72 VAL  HN       53.62     
 58 LEU  HN     58 LEU  HA      234.36     
 58 LEU  HN     58 LEU  HB2    1161.82     
 58 LEU  HN     58 LEU  HB3    1166.51     
 58 LEU  HN     58 LEU  HG     1165.24     
 58 LEU  HN     58 LEU  QD1     131.20     
 58 LEU  HN     58 LEU  QD2     132.61     
 58 LEU  HN     59 ASP- HN      355.21     
 58 LEU  HA     58 LEU  HB2    1623.31     
 58 LEU  HA     58 LEU  HB3    1632.44     
 58 LEU  HA     58 LEU  HG     1628.18     
 58 LEU  HA     58 LEU  QD1     214.57     
 58 LEU  HA     58 LEU  QD2    1116.48     
 58 LEU  HA     59 ASP- HN      187.47     
 58 LEU  HB2    58 LEU  QD1    3303.86     
 58 LEU  HB2    59 ASP- HN       54.53     
 58 LEU  HB3    58 LEU  QD1    3317.47     
 58 LEU  HB3    59 ASP- HN       54.83     
 58 LEU  QD1    68 TRP  HD1     224.38     
 58 LEU  QD2    68 TRP  HN      284.29     
 58 LEU  QD2    68 TRP  HD1     281.48     
 59 ASP- HN     59 ASP- HA      249.19     
 59 ASP- HN     59 ASP- HB2     839.99     
 59 ASP- HN     59 ASP- HB3     840.05     
 59 ASP- HN     62 ASP- HB2     331.50     
 59 ASP- HA     59 ASP- HB2    1280.45     
 59 ASP- HA     59 ASP- HB3    1280.53     
 59 ASP- HA     60 LYS+ HN     1383.11     
 59 ASP- HA     61 ALA  HN     1387.98     
 59 ASP- HA     61 ALA  QB      222.45     
 59 ASP- HB2    60 LYS+ HN      423.86     
 59 ASP- HB2    61 ALA  HN      146.63     
 59 ASP- HB3    60 LYS+ HN      423.99     
 59 ASP- HB3    61 ALA  HN      146.62     
 59 ASP- HB3    62 ASP- HN      433.18     
 60 LYS+ HN     60 LYS+ HA     1714.52     
 60 LYS+ HN     60 LYS+ HB2    1304.66     
 60 LYS+ HN     60 LYS+ HB3    1095.32     
 60 LYS+ HN     60 LYS+ HG2     708.22     
 60 LYS+ HN     60 LYS+ HG3     706.72     
 60 LYS+ HN     60 LYS+ HD2     464.56     
 60 LYS+ HN     60 LYS+ HD3     458.94     
 60 LYS+ HN     61 ALA  QB     9291.55     
 60 LYS+ HA     60 LYS+ HB2    1097.95     
 60 LYS+ HA     60 LYS+ HB3    1096.49     
 60 LYS+ HA     60 LYS+ HG2    1700.55     
 60 LYS+ HA     60 LYS+ HG3    1695.56     
 60 LYS+ HA     60 LYS+ HD2     104.96     
 60 LYS+ HA     60 LYS+ HD3     104.96     
 60 LYS+ HA     69 TYRF HN      159.56     
 60 LYS+ HA     69 TYRF HE2     202.00
 60 LYS+ HA     69 TYRF HE1     202.00
 60 LYS+ HA     69 TYRF HD1     199.74
 60 LYS+ HA     69 TYRF HD2     199.74
 60 LYS+ HD2    61 ALA  HN      182.88     
 60 LYS+ HD3    61 ALA  HN      182.88     
 61 ALA  HN     61 ALA  HA      233.30     
 61 ALA  HN     61 ALA  QB     1104.41     
 61 ALA  HA     69 TYRF HD1      46.75     
 61 ALA  HA     69 TYRF HD2      46.00     
 61 ALA  QB     62 ASP- HN      638.51     
 61 ALA  QB     69 TYRF HN       35.50     
 62 ASP- HN     62 ASP- HA      836.81     
 62 ASP- HN     62 ASP- HB2     999.12     
 62 ASP- HN     62 ASP- HB3     672.28     
 62 ASP- HA     62 ASP- HB2     377.84     
 62 ASP- HA     62 ASP- HB3     643.86     
 62 ASP- HA     63 LYS+ HN     1670.39     
 62 ASP- HA     64 SER  HN     1680.97     
 62 ASP- HB2    64 SER  HN       50.37     
 62 ASP- HB2    67 SER  HA       55.78     
 62 ASP- HB2    67 SER  HB2     717.97     
 62 ASP- HB2    67 SER  HB3     459.48     
 62 ASP- HB3    63 LYS+ HN      168.60     
 62 ASP- HB3    67 SER  HB2      72.20     
 62 ASP- HB3    67 SER  HB3     126.32     
 63 LYS+ HN     63 LYS+ HA     1373.40     
 63 LYS+ HN     63 LYS+ HB2    1056.84     
 63 LYS+ HN     63 LYS+ HB3    1057.08     
 63 LYS+ HN     63 LYS+ HG2     679.75     
 63 LYS+ HN     63 LYS+ HG3     679.90     
 63 LYS+ HN     63 LYS+ HD2     272.85     
 63 LYS+ HN     63 LYS+ HD3     324.61     
 63 LYS+ HA     63 LYS+ HB2     713.74     
 63 LYS+ HA     63 LYS+ HB3     713.92     
 63 LYS+ HA     63 LYS+ HG2     643.34     
 63 LYS+ HA     63 LYS+ HG3     643.34     
 63 LYS+ HA     63 LYS+ HD2     715.86     
 63 LYS+ HA     63 LYS+ HD3     715.88     
 63 LYS+ HA     64 SER  HN     1383.57     
 63 LYS+ HA     67 SER  HB2      56.90     
 63 LYS+ HA     70 LYS+ HB2     741.68     
 63 LYS+ HA     70 LYS+ HG2     751.61     
 63 LYS+ HA     70 LYS+ HG3     754.35     
 63 LYS+ HA     70 LYS+ HD2     538.87     
 63 LYS+ HA     70 LYS+ HD3     538.87     
 63 LYS+ HD2    64 SER  HN      274.75     
 64 SER  HN     64 SER  HA     1711.81     
 64 SER  HN     64 SER  HB2     207.90     
 64 SER  HN     64 SER  HB3     207.90     
 64 SER  HN     65 VAL  HN      132.66     
 64 SER  HN     67 SER  HB2    1145.13     
 64 SER  HN     67 SER  HB3     114.21     
 64 SER  HN     70 LYS+ HD2      56.62     
 64 SER  HN     70 LYS+ HE2      31.95     
 64 SER  HN     70 LYS+ HE3      32.19     
 64 SER  HA     64 SER  HB2     554.81     
 64 SER  HA     64 SER  HB3     554.81     
 64 SER  HA     65 VAL  HN     1183.59     
 64 SER  HA     65 VAL  QG2      50.81     
 64 SER  HA     66 ASN  HN      121.22     
 64 SER  HB2    65 VAL  QG2     467.07     
 64 SER  HB2    66 ASN  HN      263.11     
 64 SER  HB2    67 SER  HN      396.05     
 64 SER  HB3    66 ASN  HN      260.80     
 64 SER  HB3    67 SER  HN      392.27     
 65 VAL  HN     65 VAL  HA      798.67     
 65 VAL  HN     65 VAL  HB      888.74     
 65 VAL  HN     66 ASN  HN      166.31     
 65 VAL  HA     65 VAL  HB     1603.79     
 65 VAL  HA     65 VAL  QG1    1229.89     
 65 VAL  HA     65 VAL  QG2     569.89     
 65 VAL  HA     66 ASN  HN      316.28     
 65 VAL  HA     66 ASN  HA      120.82     
 65 VAL  HA     70 LYS+ HE2     106.84     
 65 VAL  HA     70 LYS+ HE3     106.84     
 65 VAL  HB     66 ASN  HD21     89.69     
 65 VAL  QG1    66 ASN  HB3     175.98     
 65 VAL  QG2    66 ASN  HN      211.00     
 65 VAL  QG2    66 ASN  HA      110.12     
 66 ASN  HN     66 ASN  HA      321.23     
 66 ASN  HN     66 ASN  HB2     538.05     
 66 ASN  HN     66 ASN  HB3     191.93     
 66 ASN  HN     67 SER  HN      638.57     
 66 ASN  HA     66 ASN  HB2     420.18     
 66 ASN  HA     66 ASN  HD21    781.42     
 66 ASN  HA     66 ASN  HD22    266.36     
 66 ASN  HA     67 SER  HN      271.12     
 66 ASN  HB2    66 ASN  HD21    929.73     
 66 ASN  HB2    66 ASN  HD22    148.86     
 66 ASN  HB2    67 SER  HN       68.18     
 66 ASN  HB3    66 ASN  HD21    295.15     
 66 ASN  HB3    66 ASN  HD22    255.40     
 67 SER  HN     67 SER  HA      270.65     
 67 SER  HN     67 SER  HB2     866.22     
 67 SER  HN     67 SER  HB3     518.50     
 67 SER  HN     69 TYRF HN      161.27     
 67 SER  HN     70 LYS+ HB2     468.47     
 67 SER  HN     70 LYS+ HB3     325.54     
 67 SER  HA     67 SER  HB2     198.80     
 67 SER  HA     67 SER  HB3     362.27     
 67 SER  HA     68 TRP  HN     1066.17     
 67 SER  HA     68 TRP  HB2      80.52     
 67 SER  HA     68 TRP  HB3      78.55     
 67 SER  HB2    69 TYRF HD1      40.21     
 67 SER  HB2    69 TYRF HD2      39.32     
 67 SER  HB2    69 TYRF HE1      22.74     
 67 SER  HB2    69 TYRF HE2      22.70     
 67 SER  HB2    70 LYS+ HN      120.03     
 67 SER  HB2    70 LYS+ HB2     758.42     
 67 SER  HB2    70 LYS+ HB3     262.20     
 67 SER  HB2    70 LYS+ HD2     148.99     
 67 SER  HB2    70 LYS+ HD3     148.00     
 67 SER  HB3    69 TYRF HN       40.91     
 67 SER  HB3    70 LYS+ HB2     471.57     
 67 SER  HB3    70 LYS+ HB3     105.21     
 67 SER  HB3    71 VAL  HN      534.20     
 68 TRP  HN     68 TRP  HA      390.45     
 68 TRP  HN     68 TRP  HB2     753.82     
 68 TRP  HN     68 TRP  HB3     727.02     
 68 TRP  HN     68 TRP  HD1     266.37     
 68 TRP  HN     69 TYRF HN      234.11     
 68 TRP  HA     68 TRP  HB2     775.83     
 68 TRP  HA     68 TRP  HB3     380.19     
 68 TRP  HA     68 TRP  HE3    1267.81     
 68 TRP  HA     69 TYRF HN      103.25     
 68 TRP  HA     71 VAL  HN      138.47     
 68 TRP  HA     71 VAL  QG1    1231.03     
 68 TRP  HB2    68 TRP  HD1     243.35     
 68 TRP  HB2    68 TRP  HE3     237.44     
 68 TRP  HB2    69 TYRF HN      170.63     
 68 TRP  HB3    68 TRP  HD1     372.70     
 68 TRP  HB3    69 TYRF HN      313.81     
 68 TRP  HE1    71 VAL  HB       92.59     
 68 TRP  HZ3    72 VAL  QG2     172.82     
 68 TRP  HZ2    72 VAL  QG2      94.44     
 68 TRP  HH2    72 VAL  QG2     137.44     
 69 TYRF HN     69 TYRF HB2     225.83     
 69 TYRF HN     70 LYS+ HN      244.02     
 69 TYRF HA     69 TYRF HB2     178.56     
 69 TYRF HB2    69 TYRF HD1     199.74     
 69 TYRF HB2    69 TYRF HD2     199.74     
 69 TYRF HD1    70 LYS+ HA      114.52     
 69 TYRF HD1    70 LYS+ HB2      50.48     
 69 TYRF HD2    70 LYS+ HA      115.50     
 69 TYRF HD2    70 LYS+ HB2      50.39     
 69 TYRF HE1    70 LYS+ HB2      18.76     
 69 TYRF HE2    70 LYS+ HB2      18.85     
 70 LYS+ HN     70 LYS+ HA      344.28     
 70 LYS+ HN     70 LYS+ HB2     528.26     
 70 LYS+ HN     70 LYS+ HB3     494.02     
 70 LYS+ HN     70 LYS+ HG2     104.88     
 70 LYS+ HN     70 LYS+ HG3     104.88     
 70 LYS+ HN     71 VAL  HN      596.03     
 70 LYS+ HA     70 LYS+ HB2     427.49     
 70 LYS+ HA     70 LYS+ HB3     661.30     
 70 LYS+ HA     70 LYS+ HG2     363.24     
 70 LYS+ HA     70 LYS+ HG3     363.24     
 70 LYS+ HA     70 LYS+ HD2     302.74     
 70 LYS+ HA     70 LYS+ HD3     302.74     
 70 LYS+ HA     71 VAL  HN      145.69     
 70 LYS+ HA     74 ASP- HA       52.60     
 70 LYS+ HA     74 ASP- HB2     529.61     
 70 LYS+ HA     74 ASP- HB3      72.90     
 70 LYS+ HB2    70 LYS+ HG2     510.44     
 70 LYS+ HB2    70 LYS+ HG3     508.58     
 70 LYS+ HB2    70 LYS+ HD2     921.52     
 70 LYS+ HB2    70 LYS+ HD3     921.52     
 70 LYS+ HB2    71 VAL  HN      485.18     
 70 LYS+ HB3    70 LYS+ HG2    2811.40     
 70 LYS+ HB3    70 LYS+ HG3    2811.40     
 70 LYS+ HB3    71 VAL  HN      333.99     
 70 LYS+ HB3    74 ASP- HN       60.93     
 70 LYS+ HG2    74 ASP- HN       90.57     
 70 LYS+ HG2    74 ASP- HB2     518.22     
 70 LYS+ HG3    74 ASP- HN       90.57     
 70 LYS+ HD2    70 LYS+ HE2    1338.74     
 70 LYS+ HD2    70 LYS+ HE3    1338.74     
 70 LYS+ HD3    70 LYS+ HE2    1338.74     
 70 LYS+ HD3    70 LYS+ HE3    1338.74     
 70 LYS+ HE2    74 ASP- HA      112.87     
 70 LYS+ HE3    74 ASP- HA      112.87     
 71 VAL  HN     71 VAL  HA      517.52     
 71 VAL  HN     72 VAL  HN      546.61     
 71 VAL  HN     74 ASP- HB3     133.02     
 71 VAL  HA     74 ASP- HB2     257.76     
 71 VAL  HA     82 THR  QG2     737.36     
 71 VAL  HB     82 THR  HB     2549.32     
 72 VAL  HN     72 VAL  HA      296.67     
 74 ASP- HN     74 ASP- HA      603.27     
 74 ASP- HN     74 ASP- HB2    1028.42     
 74 ASP- HN     74 ASP- HB3    1438.15     
 74 ASP- HN     75 ALA  HN       98.30     
 74 ASP- HN     82 THR  HB      813.04     
 74 ASP- HN     82 THR  HG1     111.68     
 74 ASP- HN     82 THR  QG2     382.06     
 74 ASP- HA     74 ASP- HB2     790.16     
 74 ASP- HA     74 ASP- HB3    1402.73     
 74 ASP- HA     75 ALA  HN     1516.21     
 74 ASP- HA     75 ALA  HA       89.13     
 74 ASP- HA     75 ALA  QB      144.44     
 74 ASP- HA     76 LYS+ HN      136.42     
 74 ASP- HA     82 THR  QG2      89.59     
 74 ASP- HA     84 ILE  HB      138.98     
 74 ASP- HB2    75 ALA  HN       94.80     
 74 ASP- HB2    76 LYS+ HN      390.76     
 74 ASP- HB2    77 GLY  HN     1827.58     
 74 ASP- HB2    82 THR  QG2     485.36     
 74 ASP- HB3    75 ALA  HN      161.71     
 74 ASP- HB3    76 LYS+ HN      458.75     
 74 ASP- HB3    77 GLY  HN      459.78     
 74 ASP- HB3    82 THR  HG1     167.52     
 74 ASP- HB3    82 THR  QG2     957.60     
 75 ALA  HN     75 ALA  HA      312.68     
 75 ALA  HN     75 ALA  QB     1150.10     
 75 ALA  HN     76 LYS+ HN      563.31     
 75 ALA  HN     84 ILE  HN       48.54     
 75 ALA  HN     84 ILE  HA       63.52     
 75 ALA  HA     76 LYS+ HN      258.98     
 75 ALA  HA     82 THR  HG1     191.59     
 75 ALA  HA     84 ILE  QG2     889.00     
 75 ALA  QB     76 LYS+ HN      664.64     
 76 LYS+ HN     76 LYS+ HA      734.87     
 76 LYS+ HN     76 LYS+ HG2     161.70     
 76 LYS+ HN     76 LYS+ HG3     161.70     
 76 LYS+ HA     76 LYS+ HB2    1366.28     
 76 LYS+ HA     76 LYS+ HB3    1368.56     
 76 LYS+ HA     76 LYS+ HG2     240.73     
 76 LYS+ HA     76 LYS+ HG3     240.73     
 76 LYS+ HA     77 GLY  HN      735.91     
 76 LYS+ HA     82 THR  HN       33.43     
 76 LYS+ HA     85 SER  HB3      87.33     
 76 LYS+ HB2    82 THR  HN       45.70     
 77 GLY  HN     77 GLY  HA1    1373.30     
 77 GLY  HN     77 GLY  HA2    1373.30     
 77 GLY  HN     78 GLY  HN       64.94     
 77 GLY  HN     82 THR  QG2     169.92     
 77 GLY  HN     85 SER  HB3     180.87     
 77 GLY  HA1    82 THR  HN      411.85     
 77 GLY  HA1    82 THR  QG2     207.98     
 77 GLY  HA2    78 GLY  HN      840.92     
 77 GLY  HA2    81 FPR  HB2     167.52     
 77 GLY  HA2    82 THR  HN      409.46     
 77 GLY  HA2    82 THR  QG2     267.89     
 78 GLY  HN     78 GLY  HA1    1051.51     
 78 GLY  HN     78 GLY  HA2     407.52     
 78 GLY  HN     79 ALA  HN       96.35     
 78 GLY  HN     81 FPR  HA      178.60     
 78 GLY  HN     82 THR  QG2     168.56     
 78 GLY  HA1    79 ALA  HN     1117.67     
 78 GLY  HA1    80 LYS+ HN      441.44     
 78 GLY  HA2    79 ALA  HN      717.28     
 79 ALA  HN     79 ALA  HA      708.04     
 79 ALA  HN     79 ALA  QB     1262.48     
 79 ALA  HN     80 LYS+ HN      732.12     
 79 ALA  HA     80 LYS+ HN      263.71     
 79 ALA  QB     80 LYS+ HN      363.27     
 80 LYS+ HN     80 LYS+ HA      313.78     
 80 LYS+ HN     80 LYS+ HB2     803.99     
 80 LYS+ HN     80 LYS+ HB3     803.99     
 80 LYS+ HN     80 LYS+ HG2     303.48     
 80 LYS+ HN     80 LYS+ HG3     303.48     
 80 LYS+ HA     80 LYS+ HB2     885.40     
 80 LYS+ HA     80 LYS+ HB3     885.40     
 80 LYS+ HA     80 LYS+ HG2    3313.07     
 80 LYS+ HA     80 LYS+ HG3    3313.07     
 80 LYS+ HA     81 FPR  HD3     651.95     
 80 LYS+ HA     81 FPR  HG2      79.11     
 80 LYS+ HA     81 FPR  HG3      82.69     
 80 LYS+ HA     81 FPR  HA      422.73     
 80 LYS+ HA     81 FPR  HB2      58.52     
 80 LYS+ HB2    80 LYS+ HG2    4968.14     
 80 LYS+ HB2    80 LYS+ HG3    4789.73     
 80 LYS+ HB2    80 LYS+ HE2    2065.24     
 80 LYS+ HB2    80 LYS+ HE3    2041.47     
 80 LYS+ HB2    81 FPR  HD3    1094.53     
 80 LYS+ HB3    80 LYS+ HG2    4239.09     
 80 LYS+ HB3    80 LYS+ HG3    4043.19     
 80 LYS+ HB3    80 LYS+ HE2    1760.30     
 80 LYS+ HB3    80 LYS+ HE3    1728.53     
 80 LYS+ HB3    81 FPR  HD3    1094.53     
 81 FPR  HD2    81 FPR  HG2    1101.22     
 81 FPR  HD2    81 FPR  HG3     435.43     
 81 FPR  HD2    81 FPR  HB2     203.30     
 81 FPR  HD2    81 FPR  HB3     212.66     
 81 FPR  HD3    81 FPR  HG2     384.28     
 81 FPR  HD3    81 FPR  HG3     488.29     
 81 FPR  HD3    81 FPR  HA     2333.88     
 81 FPR  HD3    81 FPR  HB2     460.49     
 81 FPR  HD3    81 FPR  HB3     451.30     
 81 FPR  HD3    82 THR  HN     2539.94     
 81 FPR  HG2    81 FPR  HA      121.35     
 81 FPR  HG2    81 FPR  HB2     362.81     
 81 FPR  HG2    81 FPR  HB3     587.21     
 81 FPR  HG3    81 FPR  HA       60.77     
 81 FPR  HG3    81 FPR  HB2     220.24     
 81 FPR  HG3    81 FPR  HB3     276.06     
 81 FPR  HA     81 FPR  HB2     469.91     
 81 FPR  HA     81 FPR  HB3     980.27     
 81 FPR  HA     82 THR  HN     1565.46     
 81 FPR  HA     86 HEMC HN      311.26     
 81 FPR  HB2    82 THR  HN      246.91     
 81 FPR  HB3    82 THR  HN      225.79     
 82 THR  HN     82 THR  HA      297.11     
 82 THR  HN     82 THR  HB     1714.94     
 82 THR  HN     82 THR  HG1     215.51     
 82 THR  HN     82 THR  QG2     472.85     
 82 THR  HN     84 ILE  HN      189.20     
 82 THR  HN     85 SER  HN      199.51     
 82 THR  HN     85 SER  HB3     136.58     
 82 THR  HA     82 THR  HB     1161.12     
 82 THR  HA     82 THR  HG1     221.06     
 82 THR  HA     82 THR  QG2     799.08     
 82 THR  HB     82 THR  HG1    1273.11     
 82 THR  HB     84 ILE  HN     1152.09     
 82 THR  HB     85 SER  HN      664.83     
 82 THR  HG1    82 THR  QG2    1277.04     
 82 THR  HG1    84 ILE  HN      219.80     
 82 THR  HG1    84 ILE  HB      162.54     
 82 THR  HG1    84 ILE  QG2      85.40     
 82 THR  HG1    85 SER  HN     1246.72     
 82 THR  HG1    85 SER  HA      147.45     
 82 THR  HG1    85 SER  HB2     867.01     
 82 THR  HG1    85 SER  HB3     494.30     
 82 THR  QG2    85 SER  HN      124.81     
 82 THR  QG2    85 SER  HB3      85.04     
 84 ILE  HN     84 ILE  HB      592.43     
 84 ILE  HN     84 ILE  QG2     202.11     
 84 ILE  HN     85 SER  HN      727.54     
 84 ILE  HA     84 ILE  QG2    1363.04     
 84 ILE  HB     85 SER  HN      171.27     
 84 ILE  HB    102 THR  HA      368.28     
 84 ILE  HB    102 THR  HB      155.08     
 84 ILE  QG2    85 SER  HN      127.06     
 84 ILE  QG2    85 SER  HA      160.04     
 84 ILE  QG2    88 LYS+ HN      102.45     
 84 ILE  QG2    88 LYS+ HG2     130.58     
 84 ILE  QG2    88 LYS+ HE2      98.66     
 84 ILE  QG2    88 LYS+ HE3      98.66     
 84 ILE  QG2   102 THR  HA       96.70     
 84 ILE  QG2   102 THR  HB      270.15     
 84 ILE  QG2   102 THR  QG2     175.56     
 84 ILE  QD1   102 THR  HB      205.23     
 85 SER  HN     85 SER  HA      339.13     
 85 SER  HN     85 SER  HB2     187.52     
 85 SER  HN     85 SER  HB3     501.13     
 85 SER  HA     85 SER  HB2    1913.07     
 85 SER  HA     85 SER  HB3    1002.49     
 85 SER  HA     88 LYS+ HN      151.95     
 85 SER  HA     88 LYS+ HB2     338.66     
 85 SER  HA     88 LYS+ HB3     338.66     
 85 SER  HA     89 ASP- HN      194.90     
 88 LYS+ HN     88 LYS+ HA      349.63     
 88 LYS+ HN     88 LYS+ HB2    1491.49     
 88 LYS+ HN     88 LYS+ HB3    1092.35     
 88 LYS+ HN     88 LYS+ HG2     181.87     
 88 LYS+ HN     88 LYS+ HD2     181.26     
 88 LYS+ HN     89 ASP- HN      755.05     
 88 LYS+ HN    102 THR  QG2     300.82     
 88 LYS+ HA     88 LYS+ HB2     743.95     
 88 LYS+ HA     88 LYS+ HB3     737.92     
 88 LYS+ HA     88 LYS+ HG2    1071.96     
 88 LYS+ HA     88 LYS+ HG3     548.67     
 88 LYS+ HA     88 LYS+ HD2    1072.98     
 88 LYS+ HA     88 LYS+ HD3     547.87     
 88 LYS+ HA     91 ALA  HN       65.71     
 88 LYS+ HA     97 LEU  QD2      42.54     
 88 LYS+ HA    102 THR  QG2     537.64     
 88 LYS+ HB2    89 ASP- HN      611.83     
 88 LYS+ HB3    89 ASP- HN      611.83     
 88 LYS+ HG2    89 ASP- HN      436.77     
 89 ASP- HN     89 ASP- HB2    1386.04     
 89 ASP- HN     89 ASP- HB3    1381.86     
 89 ASP- HN     90 LYS+ HN      715.82     
 89 ASP- HN     91 ALA  HN       74.92     
 89 ASP- HA     91 ALA  HN      239.50     
 89 ASP- HB2    90 LYS+ HN      616.87     
 89 ASP- HB3    90 LYS+ HN      616.87     
 90 LYS+ HN     90 LYS+ HA      382.27     
 90 LYS+ HN     90 LYS+ HB2     817.02     
 90 LYS+ HN     90 LYS+ HB3     817.02     
 90 LYS+ HN     90 LYS+ HD2     320.04     
 90 LYS+ HN     90 LYS+ HD3     320.04     
 90 LYS+ HN     91 ALA  HN      723.46     
 90 LYS+ HN     92 GLY  HN      136.31     
 90 LYS+ HA     90 LYS+ HB2     704.55     
 90 LYS+ HA     90 LYS+ HB3     704.55     
 90 LYS+ HA     90 LYS+ HD2    1089.23     
 90 LYS+ HA     90 LYS+ HD3    1089.23     
 90 LYS+ HA     92 GLY  HN      174.16     
 90 LYS+ HB2    91 ALA  HN      291.52     
 90 LYS+ HB2    92 GLY  HN       45.99     
 90 LYS+ HB3    91 ALA  HN      291.52     
 90 LYS+ HB3    92 GLY  HN       46.42     
 90 LYS+ HD2    90 LYS+ HE2     534.11     
 90 LYS+ HD2    90 LYS+ HE3     529.36     
 90 LYS+ HD3    90 LYS+ HE2     535.99     
 90 LYS+ HD3    90 LYS+ HE3     531.21     
 91 ALA  HN     91 ALA  HA      576.62     
 91 ALA  HN     91 ALA  QB     1194.86     
 91 ALA  HN     92 GLY  HN      575.95     
 91 ALA  HA     92 GLY  HN      173.96     
 91 ALA  HA     94 ASP- HB3      45.51     
 91 ALA  HA     97 LEU  HB3     526.86     
 91 ALA  HA     97 LEU  HB2     223.76     
 91 ALA  HA     97 LEU  QD1     261.14     
 91 ALA  HA     97 LEU  QD2     326.83     
 91 ALA  QB     92 GLY  HN      683.51     
 91 ALA  QB     94 ASP- HB2      43.61     
 92 GLY  HN     92 GLY  HA1    1927.54     
 92 GLY  HN     92 GLY  HA2    1927.54     
 92 GLY  HN     93 ASP- HN      232.24     
 92 GLY  HA1    93 ASP- HN     6748.81     
 92 GLY  HA1    94 ASP- HN      184.09     
 92 GLY  HA2    93 ASP- HN     1892.50     
 93 ASP- HN     93 ASP- HA      213.58     
 93 ASP- HN     93 ASP- HB2     130.90     
 93 ASP- HN     93 ASP- HB3     321.36     
 93 ASP- HN     94 ASP- HN     1286.69     
 93 ASP- HN     98 LYS+ HB2      16.73     
 93 ASP- HA     93 ASP- HB2     534.48     
 93 ASP- HA     93 ASP- HB3     627.66     
 93 ASP- HA     94 ASP- HN      224.52     
 93 ASP- HB2    94 ASP- HN       82.88     
 93 ASP- HB3    94 ASP- HN     1235.61     
 94 ASP- HN     94 ASP- HB2     681.00     
 94 ASP- HN     94 ASP- HB3    1237.14     
 94 ASP- HN     95 LYS+ HN      325.83     
 94 ASP- HN     96 GLU- HN       95.18     
 94 ASP- HN     97 LEU  QD1      50.27     
 94 ASP- HA     95 LYS+ HN      304.16     
 94 ASP- HA     97 LEU  HN       34.52     
 94 ASP- HB2    97 LEU  HN      149.51     
 94 ASP- HB2    97 LEU  HB2     168.99     
 94 ASP- HB2    97 LEU  QD1     166.93     
 94 ASP- HB2    97 LEU  QD2      73.80     
 94 ASP- HB3    95 LYS+ HN      148.09     
 94 ASP- HB3    97 LEU  HN     3886.22     
 94 ASP- HB3    97 LEU  HG      141.88     
 95 LYS+ HN     95 LYS+ HA      579.52     
 95 LYS+ HN     95 LYS+ HB2    1845.81     
 95 LYS+ HN     95 LYS+ HB3    1845.81     
 95 LYS+ HN     95 LYS+ HG3    1142.37     
 95 LYS+ HN     95 LYS+ HD2    1096.89     
 95 LYS+ HN     95 LYS+ HD3    1096.97     
 95 LYS+ HN     96 GLU- HN      412.28     
 95 LYS+ HA     95 LYS+ HB2    1918.09     
 95 LYS+ HA     95 LYS+ HB3    1918.46     
 95 LYS+ HA     95 LYS+ HD2    1426.09     
 95 LYS+ HA     95 LYS+ HD3    1426.25     
 95 LYS+ HA     96 GLU- HN      147.84     
 95 LYS+ HA     97 LEU  HN      100.80     
 95 LYS+ HA     98 LYS+ HN      179.44     
 95 LYS+ HA     98 LYS+ HB2    1925.38     
 95 LYS+ HA     98 LYS+ HB3     133.63     
 95 LYS+ HA     99 LYS+ HN      105.05     
 96 GLU- HN     96 GLU- HA      611.16     
 96 GLU- HN     96 GLU- HB2    1245.28     
 96 GLU- HN     96 GLU- HB3    1245.64     
 96 GLU- HN     96 GLU- HG2     399.47     
 96 GLU- HN     96 GLU- HG3     348.28     
 96 GLU- HN     97 LEU  HN      232.64     
 96 GLU- HN     97 LEU  HB3     277.01     
 96 GLU- HN     97 LEU  HB2      63.86     
 96 GLU- HN     98 LYS+ HN      189.29     
 96 GLU- HN     98 LYS+ HB2     275.94     
 96 GLU- HN     98 LYS+ HB3      47.35     
 96 GLU- HA     96 GLU- HB2    4203.49     
 96 GLU- HA     96 GLU- HB3    4204.46     
 96 GLU- HA     96 GLU- HG2     297.35     
 96 GLU- HA     96 GLU- HG3     302.17     
 96 GLU- HA     97 LEU  HN      166.00     
 96 GLU- HA     99 LYS+ HN      751.08     
 96 GLU- HB2    97 LEU  HN      359.81     
 96 GLU- HB3    97 LEU  HN      275.28     
 97 LEU  HN     97 LEU  HA      418.62     
 97 LEU  HN     97 LEU  HB3     622.73     
 97 LEU  HN     97 LEU  HB2     214.96     
 97 LEU  HN     97 LEU  HG      300.60     
 97 LEU  HN     97 LEU  QD1     118.70     
 97 LEU  HN     97 LEU  QD2     113.07     
 97 LEU  HN     98 LYS+ HN      827.07     
 97 LEU  HN     99 LYS+ HN       96.54     
 97 LEU  HA     97 LEU  HB3     441.86     
 97 LEU  HA     97 LEU  HB2     246.43     
 97 LEU  HA     97 LEU  HG      654.16     
 97 LEU  HA     97 LEU  QD1     307.44     
 97 LEU  HA     97 LEU  QD2     694.17     
 97 LEU  HA     98 LYS+ HN      161.58     
 97 LEU  HA     99 LYS+ HN       51.16     
 97 LEU  HA    100 LYS+ HN      230.52     
 97 LEU  HA    100 LYS+ HB3      46.17     
 97 LEU  HA    100 LYS+ HG3     112.28     
 97 LEU  HB3    97 LEU  QD1     508.35     
 97 LEU  HB3    97 LEU  QD2     784.34     
 97 LEU  HB2    97 LEU  QD1     452.56     
 97 LEU  HB2    97 LEU  QD2     660.27     
 97 LEU  HG    100 LYS+ HN      539.53     
 97 LEU  QD1    98 LYS+ HN       46.88     
 97 LEU  QD2    98 LYS+ HN       70.93     
 97 LEU  QD2   100 LYS+ HB2      42.19     
 97 LEU  QD2   100 LYS+ HB3      50.33     
 97 LEU  QD2   100 LYS+ HG3     106.09     
 98 LYS+ HN     98 LYS+ HA      844.99     
 98 LYS+ HN     98 LYS+ HD2    1313.18     
 98 LYS+ HN     98 LYS+ HD3    1311.17     
 98 LYS+ HN     99 LYS+ HN     1097.93     
 98 LYS+ HA     98 LYS+ HB2    2178.46     
 98 LYS+ HA     98 LYS+ HG2     330.60     
 98 LYS+ HA     98 LYS+ HG3     330.31     
 98 LYS+ HA     98 LYS+ HD2    1058.21     
 98 LYS+ HA     98 LYS+ HD3    1056.45     
 98 LYS+ HA     98 LYS+ HE2     922.97     
 98 LYS+ HA     98 LYS+ HE3     922.97     
 98 LYS+ HA     99 LYS+ HN      157.22     
 98 LYS+ HA    100 LYS+ HN       54.61     
 98 LYS+ HA    101 LEU  HN      916.66     
 98 LYS+ HA    102 THR  HN     2145.30     
 98 LYS+ HA    102 THR  HG1      89.12     
 98 LYS+ HA    102 THR  QG2     135.09     
 98 LYS+ HB2    99 LYS+ HN     2701.89     
 98 LYS+ HB2   100 LYS+ HN     1033.64     
 98 LYS+ HB2   102 THR  HG1      40.61     
 98 LYS+ HG2   102 THR  HB      145.60     
 99 LYS+ HN     99 LYS+ HA      764.35     
 99 LYS+ HN     99 LYS+ HB2    2707.93     
 99 LYS+ HN     99 LYS+ HB3    2714.68     
 99 LYS+ HN     99 LYS+ HG2     275.75     
 99 LYS+ HN     99 LYS+ HG3     275.75     
 99 LYS+ HN     99 LYS+ HD2     688.10     
 99 LYS+ HN     99 LYS+ HD3     688.73     
 99 LYS+ HN    101 LEU  HN     1162.75     
 99 LYS+ HN    102 THR  HN     1232.70     
 99 LYS+ HA     99 LYS+ HB2    4299.19     
 99 LYS+ HA     99 LYS+ HB3    4314.21     
 99 LYS+ HA     99 LYS+ HD2     283.06     
 99 LYS+ HA     99 LYS+ HD3     283.24     
 99 LYS+ HA    101 LEU  HN      149.39     
 99 LYS+ HA    103 GLY  HN      258.78     
 99 LYS+ HB2   100 LYS+ HN     1038.12     
 99 LYS+ HB3   100 LYS+ HN     1041.00     
 99 LYS+ HG2   103 GLY  HN       33.14     
100 LYS+ HN     99 LYS+ HA      510.21
100 LYS+ HN    100 LYS+ HA      511.51     
100 LYS+ HN    100 LYS+ HB2     527.13     
100 LYS+ HN    100 LYS+ HB3     527.13     
100 LYS+ HN    100 LYS+ HG2     705.32     
100 LYS+ HN    100 LYS+ HG3     166.93     
100 LYS+ HN    101 LEU  HN      584.82     
100 LYS+ HN    102 THR  HN      629.31     
100 LYS+ HN    107 SER  HA      107.83     
100 LYS+ HA    100 LYS+ HB2     534.75     
100 LYS+ HA    100 LYS+ HB3     534.75     
100 LYS+ HA    100 LYS+ HG3     507.86     
100 LYS+ HA    100 LYS+ HD3     223.34     
100 LYS+ HA    102 THR  HN      162.28     
100 LYS+ HA    107 SER  HA      777.87     
100 LYS+ HA    107 SER  HB2     227.52     
100 LYS+ HA    108 ALA  HN      421.44     
100 LYS+ HA    108 ALA  QB       97.28     
100 LYS+ HB2   100 LYS+ HG3    1357.35     
100 LYS+ HB2   100 LYS+ HD2     176.51     
100 LYS+ HB2   100 LYS+ HD3     294.11     
100 LYS+ HB2   107 SER  HA       41.61     
100 LYS+ HB3   100 LYS+ HG3    1357.35     
100 LYS+ HB3   100 LYS+ HD2     176.51     
100 LYS+ HB3   100 LYS+ HD3     294.11     
100 LYS+ HB3   107 SER  HA       41.65     
100 LYS+ HG2   100 LYS+ HD3     223.08     
100 LYS+ HG2   101 LEU  HN     1180.51     
100 LYS+ HG3   100 LYS+ HD3    3240.71     
100 LYS+ HG3   100 LYS+ HE2     288.42     
100 LYS+ HG3   100 LYS+ HE3     282.27     
100 LYS+ HG3   107 SER  HA       79.12     
100 LYS+ HG3   108 ALA  HN      139.76     
100 LYS+ HG3   108 ALA  QB      500.39     
100 LYS+ HD3   108 ALA  HN       83.25     
100 LYS+ HD3   108 ALA  QB      236.99     
100 LYS+ HE2   108 ALA  QB      477.61     
100 LYS+ HE3   108 ALA  QB      493.39     
101 LEU  HN    101 LEU  HB3     890.69     
101 LEU  HN    101 LEU  HG     3214.22     
101 LEU  HN    107 SER  HB2      41.55     
101 LEU  HN    108 ALA  QB       46.66     
101 LEU  HA    108 ALA  QB      244.40     
102 THR  HN    102 THR  HB      137.64     
102 THR  HN    102 THR  HG1     153.60     
102 THR  HN    102 THR  QG2     226.70     
102 THR  HN    103 GLY  HN     1180.39     
102 THR  HN    107 SER  HB2      30.57     
102 THR  HA    102 THR  HB      926.16     
102 THR  HA    102 THR  QG2     596.59     
102 THR  HA    103 GLY  HN      156.66     
103 GLY  HN    103 GLY  HA1    1936.94     
103 GLY  HN    103 GLY  HA2    1920.87     
103 GLY  HN    107 SER  HB2      81.48     
103 GLY  HA1   104 CYSH HN      473.08     
103 GLY  HA2   104 CYSH HN      473.08     
105 LYS+ HN    105 LYS+ HA      292.16     
105 LYS+ HN    105 LYS+ HB2     247.62     
105 LYS+ HN    105 LYS+ HB3     621.15     
105 LYS+ HN    105 LYS+ HG2     155.55     
105 LYS+ HN    105 LYS+ HG3     155.55     
105 LYS+ HN    105 LYS+ HD2    1461.05     
105 LYS+ HN    105 LYS+ HD3     603.37     
105 LYS+ HN    106 GLY  HN       92.77     
105 LYS+ HA    105 LYS+ HB2     401.30     
105 LYS+ HA    105 LYS+ HB3     417.61     
105 LYS+ HA    105 LYS+ HG2     240.75     
105 LYS+ HA    105 LYS+ HG3     240.75     
105 LYS+ HA    105 LYS+ HD2     408.78     
105 LYS+ HA    105 LYS+ HD3     409.34     
105 LYS+ HA    106 GLY  HN     1178.04     
105 LYS+ HA    106 GLY  HA1    2708.26     
105 LYS+ HA    106 GLY  HA2    2700.07     
105 LYS+ HA    107 SER  HN      176.25     
105 LYS+ HA    112 SER  HN      412.04     
105 LYS+ HB3   106 GLY  HN      808.10     
105 LYS+ HG2   105 LYS+ HE2     109.43     
105 LYS+ HG2   105 LYS+ HE3     109.37     
105 LYS+ HG3   105 LYS+ HE2     109.71     
105 LYS+ HD2   106 GLY  HN      962.37     
106 GLY  HN    106 GLY  HA1    1722.94     
106 GLY  HN    106 GLY  HA2    1722.94     
106 GLY  HN    107 SER  HN      794.66     
106 GLY  HN    111 FPR  HA      232.19     
106 GLY  HN    112 SER  HN       82.80     
106 GLY  HA1   107 SER  HN      180.54     
106 GLY  HA1   107 SER  HA      553.83     
106 GLY  HA1   111 FPR  HA      496.21     
106 GLY  HA1   112 SER  HN      327.56     
106 GLY  HA2   107 SER  HN      180.54     
106 GLY  HA2   107 SER  HA      552.65     
106 GLY  HA2   111 FPR  HA      496.21     
106 GLY  HA2   112 SER  HN      327.56     
107 SER  HN    107 SER  HA      301.29     
107 SER  HN    107 SER  HB2      51.39     
107 SER  HN    111 FPR  HA      290.00     
107 SER  HA    107 SER  HG      137.27     
107 SER  HA    108 ALA  HN      927.58     
107 SER  HA    108 ALA  QB       94.70     
107 SER  HB2   107 SER  HG      189.66     
107 SER  HB2   108 ALA  HN      752.24     
107 SER  HB2   108 ALA  QB      135.34     
108 ALA  HN    108 ALA  HA      469.34     
108 ALA  HN    108 ALA  QB      853.44     
111 FPR  HD2   111 FPR  HG2     390.03     
111 FPR  HD2   111 FPR  HG3     910.74     
111 FPR  HD2   111 FPR  HB2     889.74     
111 FPR  HD2   111 FPR  HB3      70.56     
111 FPR  HD2   112 SER  HN       87.08     
111 FPR  HD3   111 FPR  HG2      45.93     
111 FPR  HD3   111 FPR  HG3     302.92     
111 FPR  HD3   111 FPR  HB2     294.97     
111 FPR  HG2   111 FPR  HA      161.08     
111 FPR  HG2   112 SER  HN      156.31     
111 FPR  HG3   111 FPR  HA      590.38     
111 FPR  HA    111 FPR  HB2     583.01     
111 FPR  HA    111 FPR  HB3    1031.23     
111 FPR  HA    112 SER  HN      693.19     
111 FPR  HB2   112 SER  HN      268.10     
111 FPR  HB3   112 SER  HN      221.51     
112 SER  HN    112 SER  HB2     285.70     
112 SER  HN    112 SER  HB3     285.70     
#25ms DATA
  1 VAL  HA     37 HEMC QM8     309.65     
  1 VAL  QG1    37 HEMC QM8     473.63     
  1 VAL  QG1    37 HEMC HDM     379.90     
  1 VAL  QG1    37 HEMC QM1     391.51     
  1 VAL  QG1    46 TYRF HD1     188.99     
  1 VAL  QG1    46 TYRF HD2     189.66     
  1 VAL  QG1    46 TYRF HQE1     96.27     
  1 VAL  QG1    46 TYRF HQE2     86.64     
  1 VAL  QG2    37 HEMC QM8     281.15     
  1 VAL  QG2    37 HEMC QM1     216.57     
  1 VAL  QG2    46 TYRF HD1     208.87     
  1 VAL  QG2    46 TYRF HD2     200.85     
  2 ASP- HN     37 HEMC QM8      96.34     
  2 ASP- HA     37 HEMC QM1     125.06     
  3 VAL  HN      3 VAL  QG2     566.33     
  3 VAL  HN     37 HEMC QM1     156.52     
  3 VAL  HA      3 VAL  HB      428.03     
  3 VAL  HA     37 HEMC QM1     240.59     
  3 VAL  QG1    26 HINH HA      665.28     
  3 VAL  QG1    26 HINH HB2     211.08     
  3 VAL  QG1    26 HINH HB3     436.20     
  3 VAL  QG1    37 HEMC QM1     178.27     
  3 VAL  QG2    26 HINH HA      526.82     
  3 VAL  QG2    26 HINH HB2     109.88     
  3 VAL  QG2    26 HINH HB3     265.56     
  3 VAL  QG2    37 HEMC QM1     338.74     
  3 VAL  QG2    37 HEMC QT2     644.12     
  4 FPR  HG3    37 HEMC QM8    1832.13     
  4 FPR  HB3   109 HEMC QM8     458.33     
  6 ASP- HA     26 HINH HN     2821.77     
  7 GLY  HN     26 HINH HN      124.27     
 10 ILE  HB    109 HEMC QM5     258.31     
 10 ILE  QG2    37 HEMC QM5     119.47     
 10 ILE  QG2   109 HEMC QM5     674.55     
 10 ILE  QG2   109 HEMC HA62    653.69     
 10 ILE  QG2   109 HEMC HB62    214.48     
 10 ILE  HG12   24 PHE  HN       91.28     
 10 ILE  QD1    22 VAL  HB      181.14     
 10 ILE  QD1    37 HEMC QM5     693.02     
 10 ILE  QD1    37 HEMC HA63    235.21     
 10 ILE  QD1    37 HEMC HB62    148.42     
 10 ILE  QD1    86 HEMC QM1     256.62     
 10 ILE  QD1    86 HEMC QT2     220.59     
 10 ILE  QD1   109 HEMC QM5     430.49     
 12 PHEF HQE1   37 HEMC HB62    276.49     
 12 PHEF HQE1   37 HEMC HB63     97.51     
 12 PHEF HQE2   37 HEMC HB62    260.25     
 12 PHEF HQE2   37 HEMC HB63     91.49     
 12 PHEF HZ     37 HEMC HB62    231.11     
 13 ILE  QG2   109 HEMC HA72    242.79     
 13 ILE  QD1    69 TYRF HQD1    240.96     
 13 ILE  QD1    69 TYRF HQD2    239.12     
 13 ILE  QD1   109 HEMC HA63    399.00     
 13 ILE  QD1   109 HEMC HA72    185.54     
 20 LEU  HN     20 LEU  HG      617.23     
 20 LEU  HN     20 LEU  QD1     833.72     
 20 LEU  QD1   109 HEMC HDM    8135.14     
 22 VAL  HN     22 VAL  HB     1079.01     
 22 VAL  HN     22 VAL  QG2     360.74     
 22 VAL  HN    109 HEMC HB62    153.69     
 22 VAL  HB    109 HEMC QM5     563.81     
 22 VAL  QG1    23 VAL  HN      630.33     
 22 VAL  QG1    86 HEMC QM8     163.68     
 22 VAL  QG1    86 HEMC QM1     608.33     
 22 VAL  QG1   109 HEMC HA      191.88     
 22 VAL  QG1   109 HEMC QM5     582.14     
 22 VAL  QG2   109 HEMC QM5     345.82     
 23 VAL  HA     25 ASN  HN      188.13     
 25 ASN  HN     25 ASN  HA      373.72     
 25 ASN  HA     26 HINH HN     2873.26     
 26 HINH HN     26 HINH HA      376.48     
 26 HINH HN     26 HINH HB2    1233.42     
 26 HINH HN     26 HINH HB3     397.79     
 26 HINH HA     26 HINH HB2    6193.23     
 26 HINH HA     27 SER  HN      184.56     
 26 HINH HB2    27 SER  HN     1338.99     
 27 SER  HN     28 THR  HN      599.00     
 27 SER  HA     29 HINH HN      182.44     
 28 THR  HN     29 HINH HN     1119.83     
 28 THR  HB     86 HEMC HB72    420.10     
 28 THR  QG2    86 HEMC HB72    410.04     
 28 THR  QG2    29 HINH HN       95.58
 29 HINH HN     29 HINH HA      233.35     
 29 HINH HN     29 HINH HB3     720.30     
 29 HINH HN     30 LYS+ HN     1132.53     
 29 HINH HA     29 HINH HB2     289.07     
 29 HINH HA     30 LYS+ HN      239.18     
 29 HINH HB2    30 LYS+ HN      963.94     
 29 HINH HB2    37 HEMC QT4     849.54     
 31 ASP- HN     32 VAL  QG2     120.61     
 32 VAL  HN     32 VAL  QG2     690.28     
 32 VAL  HB     34 CYSH HA       95.17     
 32 VAL  HB     37 HEMC QM3    2422.08     
 32 VAL  QG1    37 HEMC QM3    1430.32     
 32 VAL  QG1    86 HEMC QT4    1070.09     
 32 VAL  QG1    86 HEMC QM3     236.05     
 32 VAL  QG2    33 LYS+ HN      102.07     
 32 VAL  QG2    37 HEMC QM3     248.58     
 32 VAL  QG2    86 HEMC QT4     477.60     
 32 VAL  QG2    86 HEMC QM5     137.74     
 33 LYS+ HA     34 CYSH HN     1059.96     
 33 LYS+ HB2    34 CYSH HN      135.84     
 33 LYS+ HB3    34 CYSH HN      183.88     
 34 CYSH HN     34 CYSH HA      390.38     
 34 CYSH HN     34 CYSH HB2     530.48     
 34 CYSH HN     34 CYSH HB3     476.22     
 34 CYSH HN     35 ASP- HN      332.21     
 34 CYSH HN     35 ASP- HA      561.79     
 34 CYSH HN     35 ASP- HB2     399.80     
 34 CYSH HN     37 HEMC QT2     101.07     
 34 CYSH HA     34 CYSH HB2     255.37     
 34 CYSH HA     37 HEMC QM3     551.04     
 34 CYSH HA     37 HEMC HAM     999.16     
 34 CYSH HB2    35 ASP- HN      720.25     
 34 CYSH HB2    36 ASP- HN      596.80     
 34 CYSH HB3    37 HEMC HT2A   2464.25     
 34 CYSH HB3    37 HEMC HAM    5897.15     
 35 ASP- HN     37 HEMC HN      168.97     
 35 ASP- HA     37 HEMC HN      300.47     
 35 ASP- HA     38 HINX HN      486.53     
 35 ASP- HA     38 HINX HB2     548.33     
 35 ASP- HA     39 HINH HA      575.02     
 35 ASP- HB2    39 HINH HA      409.42     
 36 ASP- HN     37 HEMC HN     1239.93     
 36 ASP- HB2    37 HEMC HN      168.40     
 36 ASP- HB2    86 HEMC QT4     134.83     
 36 ASP- HB3    37 HEMC HN      290.61     
 36 ASP- HB3    86 HEMC QT4      75.22     
 37 HEMC HN     37 HEMC HA      483.61     
 37 HEMC HN     37 HEMC HB2     871.66     
 37 HEMC HN     38 HINX HN     2142.81     
 37 HEMC HA     37 HEMC HB3     973.29     
 37 HEMC HA     54 HEMC HDM    8592.72     
 37 HEMC HB2    38 HINX HN      743.04     
 37 HEMC HB3    38 HINX HN      244.72     
 37 HEMC HB3    54 HEMC QT2     469.95     
 37 HEMC HT4A   37 HEMC HBM    6410.25     
 37 HEMC HT4A   37 HEMC QM5     175.31     
 37 HEMC QT4    37 HEMC QM3     810.84     
 37 HEMC QT4    37 HEMC HBM     609.21     
 37 HEMC QT4    86 HEMC QM3     247.24     
 37 HEMC QM3    37 HEMC HT2A   3600.02     
 37 HEMC QM5    37 HEMC HA62    450.60     
 37 HEMC QM5    37 HEMC HA63    652.99     
 37 HEMC QM5    37 HEMC HB62    238.39     
 37 HEMC QM5    37 HEMC HB63    415.21     
 37 HEMC QM5    54 HEMC QT2     257.40     
 37 HEMC QM5    68 TRP  HH2     337.86     
 37 HEMC QM5    86 HEMC QT2    1292.63     
 37 HEMC HA62   37 HEMC HB62    586.09     
 37 HEMC HA62   37 HEMC HB63    474.77     
 37 HEMC HA62   37 HEMC HGM    1215.38     
 37 HEMC HA63   37 HEMC HB62    919.79     
 37 HEMC HA63   37 HEMC HB63    497.17     
 37 HEMC HA63   37 HEMC HGM     713.53     
 37 HEMC HB62   49 CYSH HN      189.97     
 37 HEMC HGM    37 HEMC HA73   1351.75     
 37 HEMC HA72   37 HEMC QM8     496.03     
 37 HEMC HA73   37 HEMC HB72   1305.57     
 37 HEMC HA73   37 HEMC QM8     406.63     
 37 HEMC HB72   37 HEMC QM8     216.41     
 37 HEMC HB73   37 HEMC QM8     412.17     
 37 HEMC QM8    46 TYRF HB3     891.64     
 37 HEMC QM8    46 TYRF HQD1    214.40     
 37 HEMC QM8    46 TYRF HQD2    217.39     
 37 HEMC QM1    37 HEMC HT2A    275.68     
 37 HEMC QM1    37 HEMC QT2    1958.23     
 37 HEMC QM1    46 TYRF HQD2    167.07     
 37 HEMC QM1    46 TYRF HQE2    452.90     
 37 HEMC HT2A   37 HEMC HAM    6208.52     
 37 HEMC QT2    37 HEMC HAM     331.10     
 38 HINX HN     38 HINX HA      361.64     
 38 HINX HN     38 HINX HB2     776.13     
 38 HINX HN     38 HINX HB3     200.01     
 38 HINX HA     38 HINX HB3    1341.09     
 38 HINX HA     39 HINH HN     1464.40     
 38 HINX HA     40 GLN  HN      130.99     
 38 HINX HA     54 HEMC QT2     259.15     
 38 HINX HB2    54 HEMC HT2A   3308.61     
 38 HINX HB3    45 GLN  HB3     428.77     
 38 HINX HB3    45 GLN  HG2     276.02     
 38 HINX HB3    45 GLN  HG3     520.87     
 38 HINX HB3    46 TYRF HA     1281.69     
 39 HINH HN     39 HINH HA      573.52     
 39 HINH HN     39 HINH HB2     780.12     
 39 HINH HN     39 HINH HB3     284.91     
 39 HINH HN     40 GLN  HN      519.28     
 39 HINH HA     39 HINH HB2     869.14     
 39 HINH HA     40 GLN  HN      209.49     
 40 GLN  HN     40 GLN  HA      366.38     
 40 GLN  HN     40 GLN  HB2     736.41     
 40 GLN  HN     45 GLN  HA      179.81     
 40 GLN  HA     40 GLN  HB3     301.47     
 44 LYS+ HB2    54 HEMC QM3     228.37     
 44 LYS+ HD3    54 HEMC QM3     228.20     
 45 GLN  HN     45 GLN  HG2     172.47     
 45 GLN  HB3    46 TYRF HD1     331.67     
 45 GLN  HB3    46 TYRF HD2     338.18     
 45 GLN  HG3    46 TYRF HD1     336.15     
 45 GLN  HG3    46 TYRF HD2     350.53     
 46 TYRF HN     46 TYRF HA      445.15     
 46 TYRF HN     46 TYRF HD1     351.51     
 46 TYRF HN     46 TYRF HD2     364.24     
 46 TYRF HA     46 TYRF HB2     370.19     
 46 TYRF HA     47 ALA  HN      262.12     
 46 TYRF HB2    46 TYRF HD1     910.63     
 46 TYRF HB2    46 TYRF HD2     910.63     
 46 TYRF HB3    46 TYRF HD1    1472.90     
 47 ALA  HN     54 HEMC QM3     222.48     
 47 ALA  QB     54 HEMC QM3     671.16     
 48 GLY  HN     49 CYSH HN      101.41     
 48 GLY  HA1    49 CYSH HN     1407.35     
 48 GLY  HA2    49 CYSH HN      337.34     
 49 CYSH HN     49 CYSH HA      489.84     
 49 CYSH HN     49 CYSH HB2     153.58     
 49 CYSH HN     49 CYSH HB3     940.70     
 49 CYSH HN     54 HEMC HT2A    174.02     
 49 CYSH HA     49 CYSH HB2    2786.68     
 49 CYSH HA     49 CYSH HB3    1400.43     
 49 CYSH HA     54 HEMC QM3     748.38     
 49 CYSH HA     54 HEMC HAM    2287.82     
 49 CYSH HB2    68 TRP  HE3     276.70     
 49 CYSH HB3    50 THR  HN      729.05     
 49 CYSH HB3    50 THR  HA      154.85     
 49 CYSH HB3    50 THR  QG2     318.37     
 49 CYSH HB3    68 TRP  HE3     203.21     
 49 CYSH HB3    68 TRP  HZ3     848.25     
 49 CYSH HB3    68 TRP  HH2     193.77     
 50 THR  HA     55 HINX HN      867.71     
 50 THR  HA     55 HINX HB2     668.90     
 50 THR  QG2    55 HINX HB2     428.70     
 50 THR  QG2    55 HINX HB3     127.20     
 51 THR  HN     55 HINX HN      159.62     
 51 THR  HA     54 HEMC HN     2002.05     
 51 THR  HA     55 HINX HN     2270.33     
 51 THR  HG1    54 HEMC QM3    1269.87     
 51 THR  QG2    54 HEMC QM3     137.71     
 53 GLY  HN     54 HEMC HN      712.20     
 53 GLY  HA1    54 HEMC HN     2010.77     
 53 GLY  HA2    54 HEMC HN      147.41     
 54 HEMC HN     54 HEMC HA      641.05     
 54 HEMC HN     54 HEMC HB2     383.20     
 54 HEMC HN     55 HINX HN      203.36     
 54 HEMC HN     56 ASN  HB3     433.99     
 54 HEMC HA     54 HEMC HB2     818.42     
 54 HEMC HA     54 HEMC HBM    1727.10     
 54 HEMC HA     55 HINX HN      356.58     
 54 HEMC HB2    54 HEMC QM3     178.34     
 54 HEMC HB2    55 HINX HN     1707.01     
 54 HEMC HB3    55 HINX HN     5735.15     
 54 HEMC QT4    54 HEMC QM3    1218.56     
 54 HEMC QT4    54 HEMC HBM     452.97     
 54 HEMC QM3    54 HEMC HT2A    413.08     
 54 HEMC QM5    54 HEMC HA62    284.70     
 54 HEMC QM5    54 HEMC HA63   1272.04     
 54 HEMC QM5    54 HEMC HB62    452.44     
 54 HEMC QM5    54 HEMC HB63    243.90     
 54 HEMC QM5    65 VAL  QG1     235.33     
 54 HEMC QM5    65 VAL  QG2     138.45     
 54 HEMC HA62   54 HEMC HGM    4070.85     
 54 HEMC HA63   54 HEMC HB62   1036.28     
 54 HEMC HA63   54 HEMC HGM     650.45     
 54 HEMC HA63   65 VAL  QG1     767.28     
 54 HEMC HA63   65 VAL  QG2     265.71     
 54 HEMC HB62   54 HEMC HGM     693.89     
 54 HEMC HB63   54 HEMC HGM    3041.36     
 54 HEMC HGM    54 HEMC HA73   2047.77     
 54 HEMC HGM    54 HEMC HB73    895.04     
 54 HEMC HA72   54 HEMC HB73    314.31     
 54 HEMC HA72   54 HEMC QM8    1015.04     
 54 HEMC HA72   79 ALA  HN      835.51     
 54 HEMC HA73   54 HEMC HB72    466.17     
 54 HEMC HA73   54 HEMC HB73    673.43     
 54 HEMC HA73   54 HEMC QM8     200.21     
 54 HEMC HA73   80 LYS+ HN      315.34     
 54 HEMC HB72   54 HEMC QM8    2034.50     
 54 HEMC HB72   80 LYS+ HN      805.24     
 54 HEMC HB73   54 HEMC QM8     969.30     
 54 HEMC HB73   65 VAL  QG1     831.64     
 54 HEMC HB73   82 THR  QG2     796.39     
 54 HEMC QM8    71 VAL  HB     2409.40     
 54 HEMC QM8    74 ASP- HB3     308.11     
 54 HEMC QM8    82 THR  HA      788.81     
 54 HEMC HT2A   54 HEMC HAM    8398.84     
 55 HINX HN     55 HINX HA      538.19     
 55 HINX HN     55 HINX HB2     936.58     
 55 HINX HN     55 HINX HB3     259.35     
 55 HINX HN     56 ASN  HN      201.45     
 55 HINX HA     55 HINX HB2     257.06     
 55 HINX HA     55 HINX HB3    1001.20     
 55 HINX HA     66 ASN  HA     1082.77     
 55 HINX HA     66 ASN  HB3     312.51     
 55 HINX HA     66 ASN  HD21     92.11     
 55 HINX HA     68 TRP  HA      129.32     
 55 HINX HB2    68 TRP  HA      879.60     
 55 HINX HB2    68 TRP  HB2     223.48     
 55 HINX HB3    68 TRP  HN      213.08     
 55 HINX HB3    68 TRP  HA     1068.34     
 55 HINX HB3    68 TRP  HB2     338.09     
 55 HINX HB3    68 TRP  HE3     937.25     
 55 HINX HB3    71 VAL  QG1     280.86     
 57 ILE  HN     66 ASN  HA       92.47     
 60 LYS+ HD2   109 HEMC QM8     227.68     
 60 LYS+ HD3   109 HEMC QM8     227.68     
 65 VAL  HN     65 VAL  QG1     613.86     
 65 VAL  HN     65 VAL  QG2     551.85     
 65 VAL  QG1    66 ASN  HN      245.46     
 66 ASN  HA     66 ASN  HB3     807.85     
 68 TRP  HD1   109 HEMC HA63    437.84     
 68 TRP  HE1    72 VAL  QG2      80.33     
 68 TRP  HE1   109 HEMC HA62   1333.60     
 68 TRP  HE1   109 HEMC HA63    422.63     
 68 TRP  HE1   109 HEMC HB62    119.99     
 68 TRP  HZ2   109 HEMC QM5     291.41     
 68 TRP  HZ2   109 HEMC HA62    280.88     
 68 TRP  HH2    86 HEMC QT2     311.20     
 69 TYRF HN     69 TYRF HA      508.32     
 69 TYRF HA     69 TYRF HD1     275.86     
 69 TYRF HA     69 TYRF HD2     272.74     
 69 TYRF HA     72 VAL  HB      306.36     
 69 TYRF HA     72 VAL  QG2     106.11     
 69 TYRF HA     73 HINH HN      226.16     
 69 TYRF HD1   109 HEMC HA72    191.74     
 69 TYRF HD2   109 HEMC HA72    191.74     
 69 TYRF HE1   109 HEMC HDM    2283.20     
 69 TYRF HE2   109 HEMC HDM    2466.99     
 70 LYS+ HA     74 ASP- HN      385.76     
 70 LYS+ HG2    71 VAL  HN      752.93     
 71 VAL  HN     71 VAL  QG1    1022.82     
 71 VAL  HN     73 HINH HN     1952.93     
 71 VAL  QG1    72 VAL  HN      303.11     
 72 VAL  HN     72 VAL  HB     1096.47     
 72 VAL  HN     72 VAL  QG2     731.54     
 72 VAL  HN     73 HINH HN     1275.99     
 72 VAL  HA     72 VAL  QG2    1270.58     
 72 VAL  HA     73 HINH HN      210.64     
 72 VAL  HA     86 HEMC QT2    1365.13     
 72 VAL  QG1   109 HEMC QM5     521.68     
 72 VAL  QG2    73 HINH HN      203.25     
 72 VAL  QG2   109 HEMC QM5     531.01     
 73 HINH HN     73 HINH HA      479.57     
 73 HINH HN     73 HINH HB2    2124.02     
 73 HINH HN     73 HINH HB3    1163.27     
 73 HINH HN     74 ASP- HN     1186.00     
 73 HINH HA     73 HINH HB2     467.05     
 73 HINH HA     73 HINH HB3     329.11     
 73 HINH HA     74 ASP- HN      504.62     
 73 HINH HA     84 ILE  HB      403.01     
 81 FPR  HD2    86 HEMC QT4     126.41     
 81 FPR  HG2    86 HEMC QT4     398.51     
 81 FPR  HG2    86 HEMC QM3     149.14     
 81 FPR  HG3    86 HEMC QT4     481.56     
 81 FPR  HG3    86 HEMC QM3     362.04     
 81 FPR  HA     86 HEMC HB2    1577.73     
 81 FPR  HB2    86 HEMC HN      176.80     
 81 FPR  HB2    86 HEMC HA      123.36     
 81 FPR  HB2    86 HEMC HB2     555.01     
 81 FPR  HB2    86 HEMC QT4     513.59     
 81 FPR  HB2    86 HEMC QM3    1098.28     
 81 FPR  HB3    86 HEMC HA       73.79     
 81 FPR  HB3    86 HEMC HB2     543.59     
 81 FPR  HB3    86 HEMC QT4     221.64     
 82 THR  HN     86 HEMC HN      239.78     
 83 CYSH HN     83 CYSH HA     2423.09     
 83 CYSH HN     86 HEMC QM3    1057.43     
 84 ILE  HN     84 ILE  HG12    556.30     
 84 ILE  HN     84 ILE  HG13    556.30     
 84 ILE  HN     84 ILE  QD1     252.46     
 84 ILE  HN    109 HEMC QT4    1048.68     
 84 ILE  HA     87 HINX HB2     619.73     
 84 ILE  HG12  102 THR  HG1     170.34     
 84 ILE  HG13  102 THR  HG1     192.62     
 84 ILE  QD1   102 THR  HA      381.22     
 84 ILE  QD1   104 CYSH HN      285.65     
 84 ILE  QD1   109 HEMC QM3     642.00     
 84 ILE  QD1   109 HEMC QM1     119.86     
 84 ILE  QD1   109 HEMC HAM    4665.75     
 85 SER  HN     86 HEMC HN     1178.43     
 85 SER  HA     86 HEMC HN      165.54     
 86 HEMC HN     86 HEMC HA      567.33     
 86 HEMC HN     86 HEMC HB2     864.65     
 86 HEMC HN     86 HEMC HB3     889.90     
 86 HEMC HN     87 HINX HN      493.50     
 86 HEMC HA     86 HEMC HB2    1364.36     
 86 HEMC HA     86 HEMC HB3     340.54     
 86 HEMC HA     89 ASP- HN      154.68     
 86 HEMC HA     89 ASP- HB2     307.66     
 86 HEMC HA     89 ASP- HB3     307.66     
 86 HEMC HB2    86 HEMC QT4    1036.05     
 86 HEMC HB2    86 HEMC QM3     607.36     
 86 HEMC HB3    86 HEMC QT4     217.42     
 86 HEMC HB3    86 HEMC QM3     486.38     
 86 HEMC HB3    87 HINX HN      425.22     
 86 HEMC HT4A   86 HEMC HBM    2418.45     
 86 HEMC QT4    86 HEMC QM3    1767.05     
 86 HEMC QM5    86 HEMC HA62    361.76     
 86 HEMC QM5    86 HEMC HA63    272.17     
 86 HEMC QM5    86 HEMC HB62    106.49     
 86 HEMC QM5    86 HEMC HB63    122.94     
 86 HEMC QM5    90 LYS+ HB2     167.81     
 86 HEMC QM5    90 LYS+ HB3     170.76     
 86 HEMC QM5    90 LYS+ HG2     185.41     
 86 HEMC QM5    90 LYS+ HG3     185.41     
 86 HEMC QM5    90 LYS+ HD2     338.35     
 86 HEMC QM5    90 LYS+ HD3     338.35     
 86 HEMC HA62   86 HEMC HB62    621.65     
 86 HEMC HA62   86 HEMC HB63    299.80     
 86 HEMC HA63   86 HEMC HB62    358.59     
 86 HEMC HA63   86 HEMC HB63    504.22     
 86 HEMC HB63  100 LYS+ HD3    2101.51     
 86 HEMC HA72   86 HEMC HB72    336.29     
 86 HEMC HA72   86 HEMC HB73    876.03     
 86 HEMC HA72   86 HEMC QM8     995.94     
 86 HEMC HA72  108 ALA  QB     1257.39     
 86 HEMC HA73   86 HEMC HB72    783.22     
 86 HEMC HA73   86 HEMC QM8     219.45     
 86 HEMC HA73  108 ALA  QB      787.22     
 86 HEMC HB73   86 HEMC QM8     212.96     
 86 HEMC QM8   108 ALA  QB     1377.95     
 86 HEMC QM8   109 HEMC HA      102.54     
 86 HEMC QM1    86 HEMC QT2    1154.61     
 86 HEMC QM1   109 HEMC HT4A    669.93     
 86 HEMC QM1   109 HEMC HBM     853.61     
 86 HEMC QT2   109 HEMC QM5     252.18     
 87 HINX HN     87 HINX HB2     671.17     
 87 HINX HN     88 LYS+ HN      383.19     
 87 HINX HA     90 LYS+ HB2     472.67     
 87 HINX HB2    88 LYS+ HN      456.14     
 87 HINX HB2   102 THR  QG2     430.75     
 87 HINX HB3   101 LEU  HB2     665.87     
 87 HINX HB3   101 LEU  HB3     261.69     
 87 HINX HB3   102 THR  QG2     480.12     
 97 LEU  HG    101 LEU  QD2    1463.95     
101 LEU  HN    101 LEU  HA      439.27     
101 LEU  HA    101 LEU  HG      301.29     
101 LEU  HA    101 LEU  QD2     587.12     
102 THR  HA    109 HEMC QM3    1481.87     
102 THR  HG1   102 THR  QG2     543.81     
104 CYSH HN    104 CYSH HA      468.65     
104 CYSH HN    104 CYSH HB2     853.26     
104 CYSH HN    104 CYSH HB3     246.35     
104 CYSH HN    105 LYS+ HN      555.91     
104 CYSH HA    104 CYSH HB3    1367.37     
104 CYSH HB2   109 HEMC QM1     290.29     
104 CYSH HB3   105 LYS+ HN      176.32     
104 CYSH HB3   109 HEMC QM1     472.25     
107 SER  HN    107 SER  HG      298.09     
107 SER  HN    110 HINX HN      179.08     
107 SER  HG    108 ALA  HN      561.99     
107 SER  HG    109 HEMC QM3     271.64     
107 SER  HG    110 HINX HN      487.83     
108 ALA  HN    109 HEMC HN     2212.50     
108 ALA  HA    109 HEMC HN      415.40     
108 ALA  QB    109 HEMC HN      400.49     
109 HEMC HN    109 HEMC HB2     814.99     
109 HEMC HN    109 HEMC HB3    1133.08     
109 HEMC HN    110 HINX HN     2500.09     
109 HEMC HT4A  109 HEMC HBM    3583.38     
109 HEMC QT4   109 HEMC QM5     399.27     
109 HEMC QM5   109 HEMC HA62    962.29     
109 HEMC HA62  109 HEMC HB62   1121.35     
109 HEMC HA62  109 HEMC HB63    265.77     
109 HEMC HA63  109 HEMC HGM    1094.36     
109 HEMC HB63  109 HEMC HGM    1537.36     
109 HEMC HA72  109 HEMC HB72    262.31     
109 HEMC HA72  109 HEMC HB73    593.55     
109 HEMC HA72  109 HEMC QM8     478.68     
109 HEMC HB72  109 HEMC QM8     532.22     
109 HEMC HB73  109 HEMC QM8     191.36     
109 HEMC HT2A  109 HEMC HAM    5574.60     
110 HINX HA    110 HINX HB2     535.14     
110 HINX HA    111 FPR  HD2    1473.19     
110 HINX HA    112 SER  HN       96.24     
#Fixed distances 
 34 CYSH QCA    37 HEMC CAB     0.10  1.00E+01
 34 CYSH QCB    37 HEMC CBB     0.10  1.00E+01
 34 CYSH QC3    37 HEMC C3B     0.10  1.00E+01
 37 HEMC QC1C   37 HEMC C1C     0.10  1.00E+01
 37 HEMC QC2C   37 HEMC C2C     0.10  1.00E+01
 37 HEMC NA     26 HINH NE2     2.80  1.00E+01
 37 HEMC NB     26 HINH NE2     2.80  1.00E+01
 37 HEMC NC     26 HINH NE2     2.80  1.00E+01
 37 HEMC ND     26 HINH NE2     2.80  1.00E+01
 37 HEMC NA     38 HINX NE2     2.80  1.00E+01
 37 HEMC NB     38 HINX NE2     2.80  1.00E+01
 37 HEMC NC     38 HINX NE2     2.80  1.00E+01
 37 HEMC ND     38 HINX NE2     2.80  1.00E+01
 37 HEMC QNC    37 HEMC NC      0.10  1.00E+01
 37 HEMC NA     38 HINX QCHO    2.10  1.00E+01
 37 HEMC NB     38 HINX QCHO    2.10  1.00E+01
 37 HEMC NC     38 HINX QCHO    2.10  1.00E+01
 37 HEMC ND     38 HINX QCHO    2.10  1.00E+01
 37 HEMC NA     38 HINX QNA     0.20  1.00E+01
 37 HEMC NB     38 HINX QNB     0.20  1.00E+01
 37 HEMC NC     38 HINX QNC     0.20  1.00E+01
 37 HEMC ND     38 HINX QND     0.20  1.00E+01
 37 HEMC NA     26 HINH QNA     0.20  1.00E+01
 37 HEMC NB     26 HINH QNB     0.20  1.00E+01
 37 HEMC NC     26 HINH QNC     0.20  1.00E+01
 37 HEMC ND     26 HINH QND     0.20  1.00E+01
 26 HINH QFE    38 HINX QCHO    0.10  1.00E+01
 26 HINH NE2    38 HINX QNE2    0.10  1.00E+01
 49 CYSH QCA    54 HEMC CAB     0.10  1.00E+01
 49 CYSH QCB    54 HEMC CBB     0.10  1.00E+01
 49 CYSH QC3    54 HEMC C3B     0.10  1.00E+01
 54 HEMC QC1C   54 HEMC C1C     0.10  1.00E+01
 54 HEMC QC2C   54 HEMC C2C     0.10  1.00E+01
 54 HEMC NA     39 HINH NE2     2.80  1.00E+01
 54 HEMC NB     39 HINH NE2     2.80  1.00E+01
 54 HEMC NC     39 HINH NE2     2.80  1.00E+01
 54 HEMC ND     39 HINH NE2     2.80  1.00E+01
 54 HEMC NA     55 HINX NE2     2.80  1.00E+01
 54 HEMC NB     55 HINX NE2     2.80  1.00E+01
 54 HEMC NC     55 HINX NE2     2.80  1.00E+01
 54 HEMC ND     55 HINX NE2     2.80  1.00E+01
 54 HEMC QNC    54 HEMC NC      0.10  1.00E+01
 54 HEMC NA     55 HINX QCHO    2.10  1.00E+01
 54 HEMC NB     55 HINX QCHO    2.10  1.00E+01
 54 HEMC NC     55 HINX QCHO    2.10  1.00E+01
 54 HEMC ND     55 HINX QCHO    2.10  1.00E+01
 54 HEMC NA     55 HINX QNA     0.20  1.00E+01
 54 HEMC NB     55 HINX QNB     0.20  1.00E+01
 54 HEMC NC     55 HINX QNC     0.20  1.00E+01
 54 HEMC ND     55 HINX QND     0.20  1.00E+01
 54 HEMC NA     39 HINH QNA     0.20  1.00E+01
 54 HEMC NB     39 HINH QNB     0.20  1.00E+01
 54 HEMC NC     39 HINH QNC     0.20  1.00E+01
 54 HEMC ND     39 HINH QND     0.20  1.00E+01
 39 HINH QFE    55 HINX QCHO    0.10  1.00E+01
 39 HINH NE2    55 HINX QNE2    0.10  1.00E+01
 83 CYSH QCA    86 HEMC CAB     0.10  1.00E+01
 83 CYSH QCB    86 HEMC CBB     0.10  1.00E+01
 83 CYSH QC3    86 HEMC C3B     0.10  1.00E+01
 86 HEMC QC1C   86 HEMC C1C     0.10  1.00E+01
 86 HEMC QC2C   86 HEMC C2C     0.10  1.00E+01
 86 HEMC NA     29 HINH NE2     2.80  1.00E+01
 86 HEMC NB     29 HINH NE2     2.80  1.00E+01
 86 HEMC NC     29 HINH NE2     2.80  1.00E+01
 86 HEMC ND     29 HINH NE2     2.80  1.00E+01
 86 HEMC NA     87 HINX NE2     2.80  1.00E+01
 86 HEMC NB     87 HINX NE2     2.80  1.00E+01
 86 HEMC NC     87 HINX NE2     2.80  1.00E+01
 86 HEMC ND     87 HINX NE2     2.80  1.00E+01
 86 HEMC QNC    86 HEMC NC      0.10  1.00E+01
 86 HEMC NA     87 HINX QCHO    2.10  1.00E+01
 86 HEMC NB     87 HINX QCHO    2.10  1.00E+01
 86 HEMC NC     87 HINX QCHO    2.10  1.00E+01
 86 HEMC ND     87 HINX QCHO    2.10  1.00E+01
 86 HEMC NA     87 HINX QNA     0.20  1.00E+01
 86 HEMC NB     87 HINX QNB     0.20  1.00E+01
 86 HEMC NC     87 HINX QNC     0.20  1.00E+01
 86 HEMC ND     87 HINX QND     0.20  1.00E+01
 86 HEMC NA     29 HINH QNA     0.20  1.00E+01
 86 HEMC NB     29 HINH QNB     0.20  1.00E+01
 86 HEMC NC     29 HINH QNC     0.20  1.00E+01
 86 HEMC ND     29 HINH QND     0.20  1.00E+01
 29 HINH QFE    87 HINX QCHO    0.10  1.00E+01
 29 HINH NE2    87 HINX QNE2    0.10  1.00E+01
104 CYSH QCA   109 HEMC CAB     0.10  1.00E+01
104 CYSH QCB   109 HEMC CBB     0.10  1.00E+01
104 CYSH QC3   109 HEMC C3B     0.10  1.00E+01
109 HEMC QC1C  109 HEMC C1C     0.10  1.00E+01
109 HEMC QC2C  109 HEMC C2C     0.10  1.00E+01
109 HEMC NA     73 HINH NE2     2.80  1.00E+01
109 HEMC NB     73 HINH NE2     2.80  1.00E+01
109 HEMC NC     73 HINH NE2     2.80  1.00E+01
109 HEMC ND     73 HINH NE2     2.80  1.00E+01
109 HEMC NA    110 HINX NE2     2.80  1.00E+01
109 HEMC NB    110 HINX NE2     2.80  1.00E+01
109 HEMC NC    110 HINX NE2     2.80  1.00E+01
109 HEMC ND    110 HINX NE2     2.80  1.00E+01
109 HEMC QNC   109 HEMC NC      0.10  1.00E+01
109 HEMC NA    110 HINX QCHO    2.10  1.00E+01
109 HEMC NB    110 HINX QCHO    2.10  1.00E+01
109 HEMC NC    110 HINX QCHO    2.10  1.00E+01
109 HEMC ND    110 HINX QCHO    2.10  1.00E+01
109 HEMC NA    110 HINX QNA     0.20  1.00E+01
109 HEMC NB    110 HINX QNB     0.20  1.00E+01
109 HEMC NC    110 HINX QNC     0.20  1.00E+01
109 HEMC ND    110 HINX QND     0.20  1.00E+01
109 HEMC NA     73 HINH QNA     0.20  1.00E+01
109 HEMC NB     73 HINH QNB     0.20  1.00E+01
109 HEMC NC     73 HINH QNC     0.20  1.00E+01
109 HEMC ND     73 HINH QND     0.20  1.00E+01
 73 HINH QFE   110 HINX QCHO    0.10  1.00E+01
 73 HINH NE2   110 HINX QNE2    0.10  1.00E+01
  4 FPR  CG      4 FPR  QCG     0.10  1.00E+01
  4 FPR  CD      4 FPR  QCD     0.10  1.00E+01
 41 FPR  CG     41 FPR  QCG     0.10  1.00E+01
 41 FPR  CD     41 FPR  QCD     0.10  1.00E+01
111 FPR  CG    111 FPR  QCG     0.10  1.00E+01
111 FPR  CD    111 FPR  QCD     0.10  1.00E+01
 81 FPR  CG     81 FPR  QCG     0.10  1.00E+01
 81 FPR  CD     81 FPR  QCD     0.10  1.00E+01
#Dipolar shift restraints
    HA       1    -1.08   
    HB       1    -1.60   
    HN       2    -1.46   
    HA       2    -1.50   
    HB2      2    -1.16   
    HB3      2    -0.82   
    HN       3    -1.45   
    HA       3    -4.82   
    HA       4     0.96   
    HN       5     0.86   
    HA       5     1.06   
    QB       5     0.59   
    HN       6     1.16   
    HA       6     1.75   
    HN       7     0.71   
    HA1      7     0.35   
    HA2      7     0.19   
    HN       8     0.43   
    HA       8     0.19   
    QB       8     0.49   
    HN       9    -0.13   
    HA       9    -0.60   
    HN      10    -1.25   
    HA      10    -1.20   
    HB2     11    -0.53   
    HB3     11    -0.42   
    HN      12    -1.00   
    HA      12    -0.30   
    HN      13    -0.41   
    HA      13     0.04   
    HB      13    -0.26   
    QG2     13     0.03   
    QD1     13     0.71   
    HN      14    -0.01   
    HA      14    -0.20   
    QB      14    -0.04   
    HN      15    -0.18   
    HN      16    -0.23   
    HN      17    -0.15   
    HA      17    -0.03   
    HN      18    -0.05   
    HA      18     0.03   
    HN      19     0.02   
    HA      19    -0.03   
    HN      20     0.42   
    HA      20     1.05   
    HN      21     0.99   
    HA      21    -0.36   
    HB      21     0.08   
    QG2     21    -0.14   
    HN      22    -1.18   
    HA      22    -0.12   
    HB      22    -3.03   
    QG1     22    -2.96   
    QG2     22    -1.90   
    HN      23    -0.80   
    HA      23    -0.72   
    HB      23    -0.58   
    QG1     23    -0.30   
    QG2     23    -0.24   
    HN      24    -0.36   
    HA      24    -1.00   
    HN      25     0.82   
    HA      25     2.01   
    HN      27     2.67   
    HA      27     1.96   
    HB2     27     1.03   
    HB3     27     1.34   
    HN      28     2.24   
    HA      28     1.33   
    HN      30     2.23   
    HA      30     1.27   
    HN      31     0.79   
    HA      31     0.24   
    HB2     31     0.11   
    HB3     31     0.29   
    HN      32     0.46   
    HA      32    -0.26   
    HB      32     0.12   
    QG1     32    -1.34   
    QG2     32    -0.68   
    HN      33    -0.06   
    HA      33    -0.07   
    HB2     33     0.06   
    HB3     33     0.29   
    HN      35     0.70   
    HA      35     2.28   
    HB2     35     1.78   
    HB3     35     1.36   
    HN      36     0.49   
    HA      36     0.78   
    HB2     36    -0.95   
    HB3     36    -0.68   
    HA      41     1.28   
    HN      42     0.76   
    HN      44     0.45   
    HA      44     0.44   
    HN      45     0.93   
    HA      45     2.00   
    HB2     45     1.36   
    HB3     45     1.06   
    HN      47     1.08   
    HA      47     0.42   
    QB      47     0.35   
    HN      48     0.50   
    HA1     48    -0.23   
    HA2     48    -0.23   
    HN      50     0.55   
    HA      50     2.03   
    HB      50     0.86   
    QG2     50     0.55   
    HN      51     0.50   
    HA      51     0.45   
    HB      51     0.41   
    QG2     51     0.22   
    HN      52     0.32   
    HA      52     0.47   
    HN      53     0.39   
    HN      56     2.32   
    HA      56     1.34   
    HD21    56     0.55   
    HD22    56     0.50   
    HN      57     1.63   
    HA      57     0.88   
    HB      57     1.32   
    QG2     57     0.81   
    QD1     57     0.65   
    HN      58     0.69   
    HA      58     0.84   
    HG      58     0.62   
    QD1     58     0.30   
    QD2     58     0.64   
    HN      59     0.65   
    HA      59     0.47   
    HN      60     0.53   
    HA      60     1.25   
    HN      61     0.51   
    HA      61     0.50   
    QB      61     0.28   
    HN      62     0.70   
    HA      62     0.55   
    HB2     62     0.87   
    HB3     62     0.67   
    HN      63     0.48   
    HA      63     0.83   
    HN      64     0.67   
    HA      64     0.40   
    HN      65     0.23   
    HA      65     0.92   
    HN      66     1.22   
    HA      66     3.26   
    HN      67     2.14   
    HA      67     1.97   
    HN      68     2.28   
    HA      68     2.97   
    HB2     68     1.95   
    HB3     68     1.45   
    HD1     68     0.31   
    HE3     68     1.87   
    HE1     68    -1.09   
    HZ3     68    -2.62   
    HZ2     68    -2.69   
    HH2     68    -3.77   
    HN      69     2.11   
    HA      69     4.08   
    HN      70     2.56   
    HA      70     2.46   
    HN      71     2.19   
    HA      71     0.56   
    HB      71    -0.43   
    HN      72     1.49   
    HA      72    -1.16   
    HB      72     3.28   
    QG1     72    -2.19   
    QG2     72    -1.67   
    HN      74     1.80   
    HA      74     1.23   
    HN      75     0.75   
    HA      75     0.35   
    QB      75     0.35   
    HN      76     0.14   
    HA      76    -0.02   
    HN      77    -0.13   
    HN      78    -0.72   
    HN      79    -0.41   
    HA      79     0.04   
    QB      79     0.07   
    HN      80    -0.15   
    HA      80     0.22   
    HA      81    -1.09   
    HN      82    -1.39   
    HA      82    -2.61   
    HB      82    -0.92   
    QG2     82    -0.54   
    HG1     82    -0.01   
    HN      84    -0.16   
    HA      84     1.68   
    HN      85    -0.22   
    HA      85     0.05   
    HN      88     1.22   
    HA      88     0.86   
    HN      89     0.26   
    HA      89     0.09   
    HN      90     0.33   
    HA      90     0.11   
    HN      91     0.56   
    HA      91     0.35   
    QB      91     0.64   
    HN      92     0.29   
    HN      93     0.04   
    HA      93     0.09   
    HB2     93     0.04   
    HB3     93     0.07   
    HN      94     0.04   
    HA      94     0.05   
    HN      95     0.02   
    HA      95     0.09   
    HN      96     0.03   
    HA      96     0.04   
    HN      97    -0.01   
    HA      97     0.00   
    HG      97     0.04   
    QD1     97    -0.14   
    QD2     97    -0.15   
    HN      98     0.24   
    HA      98     0.59   
    HN      99     0.30   
    HA      99     0.29   
    HN     100     0.23   
    HA     100     0.13   
    HN     101     0.74   
    HA     101     1.32   
    HN     102     1.31   
    HA     102     1.10   
    HB     102     0.68   
    QG2    102     1.47   
    HG1    102     0.58   
    HN     103     0.76   
    HN     105     0.46   
    HA     105     1.44   
    HB2    105     0.35   
    HB3    105     0.19   
    HN     106     1.21   
    HN     107     1.53   
    HA     107     0.60   
    HG     107     2.68   
    HN     108     0.04   
    HA     108    -0.23   
    QB     108    -1.66   
    HA     111     1.08   
    HB2    111     0.27   
    HB3    111     0.57   
    HN     112     1.11   
    HA     112     0.69   
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H1       VAL   1   8.432  14.244  14.843
    2    H2   VAL   1           H2       VAL   1   8.432  12.588  14.843
    3    H3   VAL   1           H3       VAL   1   9.661  13.416  15.582
    4    HA   VAL   1           HA       VAL   1  10.548  14.168  13.642
    5    HB   VAL   1           HB       VAL   1  11.412  12.087  13.824
    6   1HG1  VAL   1          1HG1      VAL   1   9.468  11.176  15.059
    7   2HG1  VAL   1          2HG1      VAL   1   8.657  10.847  13.509
    8   3HG1  VAL   1          3HG1      VAL   1  10.166   9.997  13.922
    9   1HG2  VAL   1          1HG2      VAL   1  11.261  12.559  11.422
   10   2HG2  VAL   1          2HG2      VAL   1  11.148  10.811  11.739
   11   3HG2  VAL   1          3HG2      VAL   1   9.681  11.742  11.352
   12    H    ASP   2           H        ASP   2  10.054  15.382  11.891
   13    HA   ASP   2           HA       ASP   2   7.592  15.875  11.031
   14   1HB   ASP   2          1HB       ASP   2  10.052  15.713   9.226
   15   2HB   ASP   2          2HB       ASP   2   8.615  16.661   8.900
   16    H    VAL   3           H        VAL   3   6.580  15.316   8.772
   17    HA   VAL   3           HA       VAL   3   6.917  12.436   8.314
   18    HB   VAL   3           HB       VAL   3   4.713  13.575   9.159
   19   1HG1  VAL   3          1HG1      VAL   3   4.605  14.097   6.171
   20   2HG1  VAL   3          2HG1      VAL   3   3.192  14.132   7.253
   21   3HG1  VAL   3          3HG1      VAL   3   4.517  15.298   7.482
   22   1HG2  VAL   3          1HG2      VAL   3   5.091  11.174   8.484
   23   2HG2  VAL   3          2HG2      VAL   3   3.440  11.782   8.216
   24   3HG2  VAL   3          3HG2      VAL   3   4.563  11.622   6.844
   25    HA   PRO   4           HA       PRO   4   8.724  13.165   4.409
   26   1HB   PRO   4          1HB       PRO   4   7.584  10.944   3.109
   27   2HB   PRO   4          2HB       PRO   4   9.025  10.904   4.177
   28   1HG   PRO   4          1HG       PRO   4   6.342  10.530   4.618
   29   2HG   PRO   4          2HG       PRO   4   7.364   9.287   5.411
   30   1HD   PRO   4          1HD       PRO   4   6.475  11.063   7.042
   31   2HD   PRO   4          2HD       PRO   4   8.261  11.075   6.926
   32    H    ALA   5           H        ALA   5   7.883  14.968   3.320
   33    HA   ALA   5           HA       ALA   5   5.300  15.611   2.938
   34   1HB   ALA   5          2HB       ALA   5   6.495  16.438   0.572
   35   2HB   ALA   5          3HB       ALA   5   6.549  17.309   2.123
   36   3HB   ALA   5          1HB       ALA   5   7.882  16.222   1.666
   37    H    ASP   6           H        ASP   6   7.061  14.474   0.012
   38    HA   ASP   6           HA       ASP   6   5.411  12.233  -0.334
   39   1HB   ASP   6          1HB       ASP   6   4.885  14.164  -2.547
   40   2HB   ASP   6          2HB       ASP   6   3.825  12.952  -1.856
   41    H    GLY   7           H        GLY   7   5.607  11.741  -3.027
   42   1HA   GLY   7          2HA       GLY   7   8.192  12.655  -4.024
   43   2HA   GLY   7          1HA       GLY   7   6.979  11.727  -4.885
   44    H    ALA   8           H        ALA   8   6.658   9.847  -2.477
   45    HA   ALA   8           HA       ALA   8   9.255   8.559  -2.395
   46   1HB   ALA   8          1HB       ALA   8   6.778   8.603  -0.808
   47   2HB   ALA   8          3HB       ALA   8   8.447   8.239  -0.308
   48   3HB   ALA   8          2HB       ALA   8   7.436   6.964  -1.031
   49    H    LYS   9           H        LYS   9   9.748   7.497  -4.279
   50    HA   LYS   9           HA       LYS   9   7.671   6.198  -5.773
   51   1HB   LYS   9          1HB       LYS   9  10.636   6.601  -6.117
   52   2HB   LYS   9          2HB       LYS   9   9.774   5.452  -7.120
   53   1HG   LYS   9          1HG       LYS   9   9.972   7.861  -8.030
   54   2HG   LYS   9          2HG       LYS   9   8.378   7.135  -8.074
   55   1HD   LYS   9          1HD       LYS   9   7.636   8.375  -6.148
   56   2HD   LYS   9          2HD       LYS   9   9.271   8.826  -5.707
   57   1HE   LYS   9          1HE       LYS   9   8.216   9.678  -8.412
   58   2HE   LYS   9          2HE       LYS   9   7.671  10.544  -6.989
   59   1HZ   LYS   9          1HZ       LYS   9  10.497  10.100  -7.660
   60   2HZ   LYS   9          2HZ       LYS   9   9.676  11.475  -7.979
   61   3HZ   LYS   9          3HZ       LYS   9   9.927  11.014  -6.433
   62    H    ILE  10           H        ILE  10   6.805   4.315  -5.091
   63    HA   ILE  10           HA       ILE  10   8.528   2.517  -3.567
   64    HB   ILE  10           HB       ILE  10   5.534   2.551  -3.960
   65   1HG1  ILE  10          1HG1      ILE  10   7.207   3.392  -1.574
   66   2HG1  ILE  10          2HG1      ILE  10   6.395   4.482  -2.680
   67   1HG2  ILE  10          1HG2      ILE  10   6.893   0.329  -3.442
   68   2HG2  ILE  10          2HG2      ILE  10   6.860   0.992  -1.791
   69   3HG2  ILE  10          3HG2      ILE  10   5.336   0.691  -2.660
   70   1HD1  ILE  10          1HD1      ILE  10   4.669   2.337  -1.527
   71   2HD1  ILE  10          2HD1      ILE  10   5.264   3.554  -0.373
   72   3HD1  ILE  10          3HD1      ILE  10   4.317   4.061  -1.792
   73    H    ASP  11           H        ASP  11   9.701   1.160  -4.822
   74    HA   ASP  11           HA       ASP  11   8.211  -0.425  -6.699
   75   1HB   ASP  11          1HB       ASP  11   9.113   1.503  -8.031
   76   2HB   ASP  11          2HB       ASP  11  10.733   1.109  -7.489
   77    H    PHE  12           H        PHE  12   8.827  -1.774  -4.649
   78    HA   PHE  12           HA       PHE  12  11.603  -2.408  -4.348
   79   1HB   PHE  12          1HB       PHE  12   8.921  -3.439  -3.265
   80   2HB   PHE  12          2HB       PHE  12  10.436  -4.176  -2.782
   81    HD1  PHE  12           HD1      PHE  12  12.191  -2.654  -1.682
   82    HD2  PHE  12           HD2      PHE  12   8.120  -1.549  -2.147
   83    HE1  PHE  12           HE1      PHE  12  12.452  -0.934   0.127
   84    HE2  PHE  12           HE2      PHE  12   8.381   0.171  -0.338
   85    HZ   PHE  12           HZ       PHE  12  10.544   0.458   0.778
   86    H    ILE  13           H        ILE  13   9.572  -3.113  -6.812
   87    HA   ILE  13           HA       ILE  13  10.427  -5.914  -6.985
   88    HB   ILE  13           HB       ILE  13   8.038  -4.410  -7.911
   89   1HG1  ILE  13          1HG1      ILE  13   7.591  -7.185  -7.456
   90   2HG1  ILE  13          2HG1      ILE  13   8.654  -6.619  -6.184
   91   1HG2  ILE  13          1HG2      ILE  13   9.194  -6.770  -9.420
   92   2HG2  ILE  13          2HG2      ILE  13   7.544  -6.131  -9.618
   93   3HG2  ILE  13          3HG2      ILE  13   8.948  -5.118 -10.035
   94   1HD1  ILE  13          1HD1      ILE  13   6.298  -4.888  -6.918
   95   2HD1  ILE  13          2HD1      ILE  13   6.003  -6.368  -5.974
   96   3HD1  ILE  13          3HD1      ILE  13   7.090  -5.109  -5.339
   97    H    ALA  14           H        ALA  14  11.156  -6.675  -9.148
   98    HA   ALA  14           HA       ALA  14  12.881  -4.648 -10.307
   99   1HB   ALA  14          2HB       ALA  14  13.493  -6.940 -11.614
  100   2HB   ALA  14          1HB       ALA  14  12.774  -7.624 -10.136
  101   3HB   ALA  14          3HB       ALA  14  14.165  -6.521 -10.020
  102    H    GLY  15           H        GLY  15  10.606  -3.660 -11.005
  103   1HA   GLY  15          2HA       GLY  15   9.294  -3.082 -12.735
  104   2HA   GLY  15          1HA       GLY  15   9.080  -4.798 -13.020
  105    H    GLY  16           H        GLY  16   9.655  -5.493 -15.028
  106   1HA   GLY  16          2HA       GLY  16  10.865  -5.741 -16.918
  107   2HA   GLY  16          1HA       GLY  16  12.146  -4.773 -16.214
  108    H    GLU  17           H        GLU  17  12.543  -3.499 -18.076
  109    HA   GLU  17           HA       GLU  17  12.336  -1.567 -19.116
  110   1HB   GLU  17          1HB       GLU  17  11.514  -2.984 -20.844
  111   2HB   GLU  17          2HB       GLU  17   9.964  -3.203 -20.058
  112   1HG   GLU  17          1HG       GLU  17   9.097  -1.345 -21.042
  113   2HG   GLU  17          2HG       GLU  17  10.462  -0.361 -20.552
  114    H    LYS  18           H        LYS  18   8.790  -1.773 -19.167
  115    HA   LYS  18           HA       LYS  18   8.578   0.826 -18.056
  116   1HB   LYS  18          1HB       LYS  18   6.465  -1.251 -18.707
  117   2HB   LYS  18          2HB       LYS  18   6.141   0.417 -18.279
  118   1HG   LYS  18          1HG       LYS  18   6.603   1.132 -20.385
  119   2HG   LYS  18          2HG       LYS  18   8.154   0.315 -20.389
  120   1HD   LYS  18          1HD       LYS  18   7.264  -1.090 -21.940
  121   2HD   LYS  18          2HD       LYS  18   6.363  -1.813 -20.622
  122   1HE   LYS  18          1HE       LYS  18   4.939  -1.081 -22.601
  123   2HE   LYS  18          2HE       LYS  18   4.422  -0.437 -21.056
  124   1HZ   LYS  18          1HZ       LYS  18   6.338   1.165 -22.476
  125   2HZ   LYS  18          2HZ       LYS  18   4.869   1.053 -23.181
  126   3HZ   LYS  18          3HZ       LYS  18   5.002   1.620 -21.655
  127    H    ASN  19           H        ASN  19  10.005  -0.062 -16.117
  128    HA   ASN  19           HA       ASN  19   9.205  -1.704 -14.226
  129   1HB   ASN  19          1HB       ASN  19  11.121   0.182 -14.322
  130   2HB   ASN  19          2HB       ASN  19   9.997   1.078 -13.320
  131   2HD2  ASN  19          1HD2      ASN  19  12.669  -0.345 -12.934
  132   1HD2  ASN  19          2HD2      ASN  19  12.473  -1.286 -11.493
  133    H    LEU  20           H        LEU  20   8.007  -1.344 -12.090
  134    HA   LEU  20           HA       LEU  20   5.717   0.438 -12.528
  135   1HB   LEU  20          1HB       LEU  20   5.946  -2.137 -10.967
  136   2HB   LEU  20          2HB       LEU  20   4.538  -1.094 -10.958
  137    HG   LEU  20           HG       LEU  20   5.569  -2.891 -13.114
  138   1HD1  LEU  20          1HD1      LEU  20   3.375  -2.868 -11.366
  139   2HD1  LEU  20          2HD1      LEU  20   2.709  -2.508 -12.977
  140   3HD1  LEU  20          3HD1      LEU  20   3.676  -3.981 -12.723
  141   1HD2  LEU  20          1HD2      LEU  20   3.976  -0.368 -13.630
  142   2HD2  LEU  20          2HD2      LEU  20   5.567  -0.808 -14.295
  143   3HD2  LEU  20          3HD2      LEU  20   4.117  -1.722 -14.777
  144    H    THR  21           H        THR  21   5.696   2.253 -11.325
  145    HA   THR  21           HA       THR  21   6.872   2.092  -8.637
  146    HB   THR  21           HB       THR  21   7.200   4.557 -10.374
  147    HG1  THR  21           HG1      THR  21   8.252   3.092 -11.699
  148   1HG2  THR  21          1HG2      THR  21   7.975   4.021  -7.795
  149   2HG2  THR  21          2HG2      THR  21   9.381   3.387  -8.683
  150   3HG2  THR  21          3HG2      THR  21   8.896   5.088  -8.882
  151    H    VAL  22           H        VAL  22   5.619   2.873  -7.041
  152    HA   VAL  22           HA       VAL  22   3.232   4.348  -7.913
  153    HB   VAL  22           HB       VAL  22   3.715   2.243  -5.839
  154   1HG1  VAL  22          1HG1      VAL  22   1.891   4.586  -5.590
  155   2HG1  VAL  22          2HG1      VAL  22   1.226   2.993  -5.156
  156   3HG1  VAL  22          3HG1      VAL  22   2.681   3.604  -4.333
  157   1HG2  VAL  22          1HG2      VAL  22   2.528   2.241  -8.331
  158   2HG2  VAL  22          2HG2      VAL  22   2.277   1.023  -7.058
  159   3HG2  VAL  22          3HG2      VAL  22   1.134   2.375  -7.233
  160    H    VAL  23           H        VAL  23   2.984   6.404  -7.176
  161    HA   VAL  23           HA       VAL  23   5.006   7.361  -5.316
  162    HB   VAL  23           HB       VAL  23   3.050   8.668  -7.200
  163   1HG1  VAL  23          1HG1      VAL  23   4.764   9.965  -5.062
  164   2HG1  VAL  23          2HG1      VAL  23   4.109  10.846  -6.463
  165   3HG1  VAL  23          3HG1      VAL  23   3.003  10.095  -5.288
  166   1HG2  VAL  23          1HG2      VAL  23   5.512   7.658  -7.700
  167   2HG2  VAL  23          2HG2      VAL  23   4.821   9.052  -8.564
  168   3HG2  VAL  23          3HG2      VAL  23   5.949   9.313  -7.211
  169    H    PHE  24           H        PHE  24   4.592   7.816  -3.204
  170    HA   PHE  24           HA       PHE  24   1.770   7.695  -2.404
  171   1HB   PHE  24          1HB       PHE  24   3.321   5.884  -1.561
  172   2HB   PHE  24          2HB       PHE  24   4.415   7.106  -0.943
  173    HD1  PHE  24           HD1      PHE  24   0.733   6.490  -0.679
  174    HD2  PHE  24           HD2      PHE  24   4.385   7.244   1.347
  175    HE1  PHE  24           HE1      PHE  24  -0.481   6.467   1.518
  176    HE2  PHE  24           HE2      PHE  24   3.171   7.221   3.544
  177    HZ   PHE  24           HZ       PHE  24   0.752   6.833   3.603
  178    H    ASN  25           H        ASN  25   0.990   9.211  -0.841
  179    HA   ASN  25           HA       ASN  25   2.845  11.359  -0.231
  180   1HB   ASN  25          1HB       ASN  25  -0.015  12.075  -0.889
  181   2HB   ASN  25          2HB       ASN  25   1.430  13.051  -1.063
  182   2HD2  ASN  25          1HD2      ASN  25   1.281  13.618  -3.141
  183   1HD2  ASN  25          2HD2      ASN  25   1.313  12.533  -4.490
  184    H    HIS  26           H        HIS  26   2.714  11.830   1.889
  185    HA   HIS  26           HA       HIS  26   0.806  10.474   3.621
  186   1HB   HIS  26          1HB       HIS  26   3.196  12.317   3.936
  187   2HB   HIS  26          2HB       HIS  26   2.075  12.060   5.341
  188    HD1  HIS  26           HD1      HIS  26   4.584  10.328   3.190
  189    HD2  HIS  26           HD2      HIS  26   2.293   9.560   6.601
  190    HE1  HIS  26           HE1      HIS  26   5.525   8.158   4.215
  191    H    SER  27           H        SER  27   0.627  13.305   1.709
  192    HA   SER  27           HA       SER  27  -1.075  14.669   3.597
  193   1HB   SER  27          1HB       SER  27  -1.155  16.445   1.822
  194   2HB   SER  27          2HB       SER  27   0.471  16.070   2.358
  195    HG   SER  27           HG       SER  27   0.797  15.913   0.224
  196    H    THR  28           H        THR  28  -1.788  11.996   2.398
  197    HA   THR  28           HA       THR  28  -4.422  12.767   1.448
  198    HB   THR  28           HB       THR  28  -4.062  11.024  -0.475
  199    HG1  THR  28           HG1      THR  28  -1.405  11.773   0.506
  200   1HG2  THR  28          1HG2      THR  28  -3.812  13.767  -0.504
  201   2HG2  THR  28          2HG2      THR  28  -2.172  13.285  -1.002
  202   3HG2  THR  28          3HG2      THR  28  -3.583  12.749  -1.946
  203    H    HIS  29           H        HIS  29  -3.137  11.633   3.827
  204    HA   HIS  29           HA       HIS  29  -5.060   9.513   4.301
  205   1HB   HIS  29          1HB       HIS  29  -2.084   8.826   4.032
  206   2HB   HIS  29          2HB       HIS  29  -3.307   7.768   4.858
  207    HD1  HIS  29           HD1      HIS  29  -1.924   8.666   1.594
  208    HD2  HIS  29           HD2      HIS  29  -5.268   6.622   3.047
  209    HE1  HIS  29           HE1      HIS  29  -2.867   7.324  -0.395
  210    H    LYS  30           H        LYS  30  -4.320  12.178   5.355
  211    HA   LYS  30           HA       LYS  30  -3.000  11.679   7.856
  212   1HB   LYS  30          1HB       LYS  30  -2.924  13.950   8.084
  213   2HB   LYS  30          2HB       LYS  30  -3.051  13.837   6.340
  214   1HG   LYS  30          1HG       LYS  30  -5.689  13.868   6.881
  215   2HG   LYS  30          2HG       LYS  30  -5.146  14.659   8.347
  216   1HD   LYS  30          1HD       LYS  30  -3.760  16.220   6.785
  217   2HD   LYS  30          2HD       LYS  30  -4.723  15.568   5.473
  218   1HE   LYS  30          1HE       LYS  30  -6.226  16.527   7.893
  219   2HE   LYS  30          2HE       LYS  30  -5.469  17.759   6.903
  220   1HZ   LYS  30          1HZ       LYS  30  -6.574  16.408   5.008
  221   2HZ   LYS  30          2HZ       LYS  30  -7.577  15.898   6.191
  222   3HZ   LYS  30          3HZ       LYS  30  -7.448  17.492   5.862
  223    H    ASP  31           H        ASP  31  -6.277  11.670   6.551
  224    HA   ASP  31           HA       ASP  31  -7.462  11.907   9.129
  225   1HB   ASP  31          1HB       ASP  31  -9.507  11.915   7.990
  226   2HB   ASP  31          2HB       ASP  31  -8.428  12.541   6.760
  227    H    VAL  32           H        VAL  32  -5.574   9.566   7.879
  228    HA   VAL  32           HA       VAL  32  -7.312   7.340   8.675
  229    HB   VAL  32           HB       VAL  32  -4.901   7.556   6.879
  230   1HG1  VAL  32          1HG1      VAL  32  -6.105   5.098   8.159
  231   2HG1  VAL  32          2HG1      VAL  32  -5.244   5.019   6.603
  232   3HG1  VAL  32          3HG1      VAL  32  -4.396   5.588   8.061
  233   1HG2  VAL  32          1HG2      VAL  32  -7.802   7.261   6.524
  234   2HG2  VAL  32          2HG2      VAL  32  -6.555   7.813   5.380
  235   3HG2  VAL  32          3HG2      VAL  32  -6.848   6.072   5.605
  236    H    LYS  33           H        LYS  33  -6.690   5.944  10.336
  237    HA   LYS  33           HA       LYS  33  -5.323   6.918  12.447
  238   1HB   LYS  33          1HB       LYS  33  -6.159   4.239  11.522
  239   2HB   LYS  33          2HB       LYS  33  -4.863   4.232  12.700
  240   1HG   LYS  33          1HG       LYS  33  -6.603   4.358  14.201
  241   2HG   LYS  33          2HG       LYS  33  -6.475   6.076  13.879
  242   1HD   LYS  33          1HD       LYS  33  -8.180   5.753  11.991
  243   2HD   LYS  33          2HD       LYS  33  -8.401   4.110  12.559
  244   1HE   LYS  33          1HE       LYS  33  -8.573   5.932  14.822
  245   2HE   LYS  33          2HE       LYS  33  -9.648   6.488  13.554
  246   1HZ   LYS  33          1HZ       LYS  33  -9.786   3.686  13.869
  247   2HZ   LYS  33          2HZ       LYS  33 -10.118   4.449  15.275
  248   3HZ   LYS  33          3HZ       LYS  33 -10.985   4.793  13.935
  249    H    CYS  34           H        CYS  34  -3.310   7.742  12.591
  250    HA   CYS  34           HA       CYS  34  -1.332   7.403  10.754
  251   1HB   CYS  34          1HB       CYS  34  -1.282   9.174  12.377
  252   2HB   CYS  34          2HB       CYS  34  -1.138   8.037  13.702
  253    H    ASP  35           H        ASP  35  -2.487   5.237  13.268
  254    HA   ASP  35           HA       ASP  35  -0.101   3.609  12.966
  255   1HB   ASP  35          1HB       ASP  35  -0.847   2.436  14.981
  256   2HB   ASP  35          2HB       ASP  35  -0.854   4.162  15.285
  257    H    ASP  36           H        ASP  36  -2.049   3.823  10.804
  258    HA   ASP  36           HA       ASP  36  -3.543   1.349  11.052
  259   1HB   ASP  36          1HB       ASP  36  -4.913   3.185  10.308
  260   2HB   ASP  36          2HB       ASP  36  -3.696   3.735   9.173
  261    H    CYS  37           H        CYS  37  -0.912   3.040   9.347
  262    HA   CYS  37           HA       CYS  37  -0.598   0.744   7.565
  263   1HB   CYS  37          1HB       CYS  37   0.724   3.464   7.323
  264   2HB   CYS  37          2HB       CYS  37   0.736   2.171   6.140
  265    H    HIS  38           H        HIS  38   0.831   2.800  10.028
  266    HA   HIS  38           HA       HIS  38   3.339   1.194  10.077
  267   1HB   HIS  38          1HB       HIS  38   2.500   3.814  11.437
  268   2HB   HIS  38          2HB       HIS  38   4.105   2.993  11.662
  269    HD1  HIS  38           HD1      HIS  38   5.385   2.638   9.267
  270    HD2  HIS  38           HD2      HIS  38   2.577   5.724   9.509
  271    HE1  HIS  38           HE1      HIS  38   5.943   4.269   7.351
  272    H    HIS  39           H        HIS  39   2.292  -0.695  10.825
  273    HA   HIS  39           HA       HIS  39   1.122  -0.660  13.548
  274   1HB   HIS  39          1HB       HIS  39   0.307  -2.804  13.078
  275   2HB   HIS  39          2HB       HIS  39   0.199  -1.920  11.495
  276    HD1  HIS  39           HD1      HIS  39   2.097  -4.631  13.249
  277    HD2  HIS  39           HD2      HIS  39   1.656  -3.052   9.405
  278    HE1  HIS  39           HE1      HIS  39   3.263  -6.286  11.654
  279    H    GLN  40           H        GLN  40   3.932   0.130  13.255
  280    HA   GLN  40           HA       GLN  40   5.300  -2.192  14.319
  281   1HB   GLN  40          1HB       GLN  40   6.081   0.130  12.745
  282   2HB   GLN  40          2HB       GLN  40   7.074   0.030  14.186
  283   1HG   GLN  40          1HG       GLN  40   8.173  -1.281  12.473
  284   2HG   GLN  40          2HG       GLN  40   7.522  -2.409  13.646
  285   2HE2  GLN  40          1HE2      GLN  40   6.156  -3.936  13.027
  286   1HE2  GLN  40          2HE2      GLN  40   5.440  -4.099  11.459
  287    HA   PRO  41           HA       PRO  41   5.482  -0.569  18.417
  288   1HB   PRO  41          1HB       PRO  41   7.987  -1.250  19.266
  289   2HB   PRO  41          2HB       PRO  41   6.763  -2.483  18.821
  290   1HG   PRO  41          1HG       PRO  41   9.135  -1.779  17.176
  291   2HG   PRO  41          2HG       PRO  41   8.126  -3.214  17.553
  292   1HD   PRO  41          1HD       PRO  41   7.924  -1.376  15.293
  293   2HD   PRO  41          2HD       PRO  41   6.864  -2.768  15.669
  294    H    GLY  42           H        GLY  42   8.696   0.206  16.822
  295   1HA   GLY  42          2HA       GLY  42   9.116   2.535  18.344
  296   2HA   GLY  42          1HA       GLY  42   8.305   2.977  16.854
  297    H    ASP  43           H        ASP  43  10.945   0.681  17.876
  298    HA   ASP  43           HA       ASP  43  12.928   2.004  16.525
  299   1HB   ASP  43          1HB       ASP  43  12.528  -0.814  17.527
  300   2HB   ASP  43          2HB       ASP  43  13.907  -0.509  16.490
  301    H    LYS  44           H        LYS  44  10.320  -0.053  15.410
  302    HA   LYS  44           HA       LYS  44  11.653  -0.399  12.817
  303   1HB   LYS  44          1HB       LYS  44   9.418  -1.980  14.119
  304   2HB   LYS  44          2HB       LYS  44   9.944  -2.201  12.462
  305   1HG   LYS  44          1HG       LYS  44  12.309  -2.599  13.360
  306   2HG   LYS  44          2HG       LYS  44  11.633  -2.584  14.976
  307   1HD   LYS  44          1HD       LYS  44  10.423  -4.408  12.881
  308   2HD   LYS  44          2HD       LYS  44  11.916  -4.879  13.667
  309   1HE   LYS  44          1HE       LYS  44  10.351  -5.833  15.119
  310   2HE   LYS  44          2HE       LYS  44  10.613  -4.289  15.905
  311   1HZ   LYS  44          1HZ       LYS  44   8.640  -3.993  13.960
  312   2HZ   LYS  44          2HZ       LYS  44   8.251  -5.275  14.894
  313   3HZ   LYS  44          3HZ       LYS  44   8.506  -3.814  15.578
  314    H    GLN  45           H        GLN  45   9.282   1.367  14.579
  315    HA   GLN  45           HA       GLN  45   7.246   1.695  12.856
  316   1HB   GLN  45          1HB       GLN  45   7.411   2.733  15.110
  317   2HB   GLN  45          2HB       GLN  45   8.606   3.867  14.512
  318   1HG   GLN  45          1HG       GLN  45   7.045   5.084  13.262
  319   2HG   GLN  45          2HG       GLN  45   5.991   3.703  13.024
  320   2HE2  GLN  45          1HE2      GLN  45   4.951   2.811  15.007
  321   1HE2  GLN  45          2HE2      GLN  45   4.348   3.923  16.191
  322    H    TYR  46           H        TYR  46  10.501   3.053  12.703
  323    HA   TYR  46           HA       TYR  46   9.822   4.466  10.178
  324   1HB   TYR  46          1HB       TYR  46  12.325   4.657  11.880
  325   2HB   TYR  46          2HB       TYR  46  11.858   5.715  10.538
  326    HD1  TYR  46           HD1      TYR  46   8.842   5.780  11.420
  327    HD2  TYR  46           HD2      TYR  46  12.554   6.485  13.462
  328    HE1  TYR  46           HE1      TYR  46   7.681   7.287  13.010
  329    HE2  TYR  46           HE2      TYR  46  11.393   7.992  15.053
  330    HH   TYR  46           HH       TYR  46   8.995   8.347  15.928
  331    H    ALA  47           H        ALA  47  10.335   1.411  10.674
  332    HA   ALA  47           HA       ALA  47  12.680   1.189   8.925
  333   1HB   ALA  47          1HB       ALA  47  12.798   0.006  11.094
  334   2HB   ALA  47          3HB       ALA  47  12.778  -1.138   9.731
  335   3HB   ALA  47          2HB       ALA  47  11.304  -0.875  10.694
  336    H    GLY  48           H        GLY  48  12.489   0.293   6.885
  337   1HA   GLY  48          2HA       GLY  48  11.517  -0.652   5.078
  338   2HA   GLY  48          1HA       GLY  48  10.208   0.455   5.440
  339    H    CYS  49           H        CYS  49   8.866  -1.314   4.419
  340    HA   CYS  49           HA       CYS  49   7.708  -2.874   6.494
  341   1HB   CYS  49          1HB       CYS  49   7.087  -3.013   3.543
  342   2HB   CYS  49          2HB       CYS  49   6.066  -3.507   4.879
  343    H    THR  50           H        THR  50   9.547  -3.493   3.425
  344    HA   THR  50           HA       THR  50   9.548  -6.268   3.562
  345    HB   THR  50           HB       THR  50  11.483  -6.018   1.994
  346    HG1  THR  50           HG1      THR  50  12.585  -4.057   2.069
  347   1HG2  THR  50          1HG2      THR  50   8.939  -4.976   1.540
  348   2HG2  THR  50          2HG2      THR  50   9.982  -3.568   1.228
  349   3HG2  THR  50          3HG2      THR  50  10.223  -5.075   0.312
  350    H    THR  51           H        THR  51  12.372  -4.162   4.432
  351    HA   THR  51           HA       THR  51  14.176  -4.788   5.664
  352    HB   THR  51           HB       THR  51  12.233  -5.282   7.914
  353    HG1  THR  51           HG1      THR  51  11.156  -3.399   7.401
  354   1HG2  THR  51          1HG2      THR  51  14.826  -4.520   7.933
  355   2HG2  THR  51          2HG2      THR  51  14.096  -2.918   7.670
  356   3HG2  THR  51          3HG2      THR  51  13.665  -3.866   9.113
  357    H    ASP  52           H        ASP  52  13.681  -6.557   8.177
  358    HA   ASP  52           HA       ASP  52  14.008  -9.045   6.693
  359   1HB   ASP  52          1HB       ASP  52  16.081  -8.448   7.801
  360   2HB   ASP  52          2HB       ASP  52  15.247  -8.042   9.288
  361    H    GLY  53           H        GLY  53  12.857 -10.907   7.516
  362   1HA   GLY  53          2HA       GLY  53  11.675 -11.169  10.001
  363   2HA   GLY  53          1HA       GLY  53  11.172 -11.988   8.536
  364    H    CYS  54           H        CYS  54  10.283  -9.862   6.911
  365    HA   CYS  54           HA       CYS  54   7.884  -9.143   8.375
  366   1HB   CYS  54          1HB       CYS  54   9.428  -7.047   6.821
  367   2HB   CYS  54          2HB       CYS  54   7.949  -6.818   7.732
  368    H    HIS  55           H        HIS  55   8.047  -7.261   5.715
  369    HA   HIS  55           HA       HIS  55   6.749  -9.319   3.973
  370   1HB   HIS  55          1HB       HIS  55   6.551  -6.268   3.781
  371   2HB   HIS  55          2HB       HIS  55   5.516  -7.519   2.968
  372    HD1  HIS  55           HD1      HIS  55   3.843  -8.772   4.494
  373    HD2  HIS  55           HD2      HIS  55   5.690  -5.484   6.297
  374    HE1  HIS  55           HE1      HIS  55   2.429  -8.203   6.573
  375    H    ASN  56           H        ASN  56   9.309  -9.814   3.800
  376    HA   ASN  56           HA       ASN  56  10.550  -8.071   1.891
  377   1HB   ASN  56          1HB       ASN  56  12.416  -9.858   2.054
  378   2HB   ASN  56          2HB       ASN  56  12.059  -8.983   3.530
  379   2HD2  ASN  56          1HD2      ASN  56  13.323 -11.237   3.877
  380   1HD2  ASN  56          2HD2      ASN  56  12.316 -12.512   4.478
  381    H    ILE  57           H        ILE  57   9.267 -11.447   2.195
  382    HA   ILE  57           HA       ILE  57   9.966 -12.590  -0.118
  383    HB   ILE  57           HB       ILE  57   7.321 -12.635   1.323
  384   1HG1  ILE  57          1HG1      ILE  57   9.919 -13.861   1.731
  385   2HG1  ILE  57          2HG1      ILE  57   8.529 -13.792   2.797
  386   1HG2  ILE  57          1HG2      ILE  57   8.242 -14.406  -0.957
  387   2HG2  ILE  57          2HG2      ILE  57   6.832 -14.719   0.084
  388   3HG2  ILE  57          3HG2      ILE  57   6.864 -13.279  -0.962
  389   1HD1  ILE  57          1HD1      ILE  57   8.809 -15.746   0.467
  390   2HD1  ILE  57          2HD1      ILE  57   9.154 -16.139   2.169
  391   3HD1  ILE  57          3HD1      ILE  57   7.498 -15.719   1.671
  392    H    LEU  58           H        LEU  58  10.033 -11.886  -2.177
  393    HA   LEU  58           HA       LEU  58   7.957  -9.985  -2.993
  394   1HB   LEU  58          1HB       LEU  58  10.637 -10.521  -4.275
  395   2HB   LEU  58          2HB       LEU  58   9.498  -9.258  -4.698
  396    HG   LEU  58           HG       LEU  58  11.138  -9.484  -2.166
  397   1HD1  LEU  58          1HD1      LEU  58  11.286  -7.867  -4.655
  398   2HD1  LEU  58          2HD1      LEU  58  11.666  -7.039  -3.126
  399   3HD1  LEU  58          3HD1      LEU  58  12.580  -8.490  -3.603
  400   1HD2  LEU  58          1HD2      LEU  58   8.852  -8.724  -1.624
  401   2HD2  LEU  58          2HD2      LEU  58  10.079  -7.462  -1.359
  402   3HD2  LEU  58          3HD2      LEU  58   9.033  -7.398  -2.798
  403    H    ASP  59           H        ASP  59   7.181 -12.671  -2.747
  404    HA   ASP  59           HA       ASP  59   7.108 -13.453  -5.556
  405   1HB   ASP  59          1HB       ASP  59   7.631 -14.966  -3.089
  406   2HB   ASP  59          2HB       ASP  59   6.299 -15.665  -3.987
  407    H    LYS  60           H        LYS  60   4.983 -14.316  -6.298
  408    HA   LYS  60           HA       LYS  60   2.790 -13.284  -4.655
  409   1HB   LYS  60          1HB       LYS  60   2.652 -14.010  -7.584
  410   2HB   LYS  60          2HB       LYS  60   1.553 -13.009  -6.657
  411   1HG   LYS  60          1HG       LYS  60   3.315 -11.294  -6.352
  412   2HG   LYS  60          2HG       LYS  60   4.483 -12.311  -7.174
  413   1HD   LYS  60          1HD       LYS  60   1.988 -11.834  -8.725
  414   2HD   LYS  60          2HD       LYS  60   2.915 -10.382  -8.403
  415   1HE   LYS  60          1HE       LYS  60   4.814 -11.163  -9.581
  416   2HE   LYS  60          2HE       LYS  60   4.361 -12.847  -9.404
  417   1HZ   LYS  60          1HZ       LYS  60   2.378 -11.425 -10.803
  418   2HZ   LYS  60          2HZ       LYS  60   3.827 -11.234 -11.531
  419   3HZ   LYS  60          3HZ       LYS  60   3.233 -12.734 -11.276
  420    H    ALA  61           H        ALA  61   4.097 -16.164  -6.330
  421    HA   ALA  61           HA       ALA  61   1.826 -17.778  -5.941
  422   1HB   ALA  61          1HB       ALA  61   4.772 -18.450  -6.314
  423   2HB   ALA  61          3HB       ALA  61   3.549 -18.283  -7.597
  424   3HB   ALA  61          2HB       ALA  61   3.437 -19.621  -6.429
  425    H    ASP  62           H        ASP  62   4.557 -16.795  -3.892
  426    HA   ASP  62           HA       ASP  62   4.150 -18.857  -2.010
  427   1HB   ASP  62          1HB       ASP  62   5.682 -16.237  -2.050
  428   2HB   ASP  62          2HB       ASP  62   5.536 -17.134  -0.552
  429    H    LYS  63           H        LYS  63   2.851 -18.785  -0.113
  430    HA   LYS  63           HA       LYS  63   0.985 -16.573   0.024
  431   1HB   LYS  63          1HB       LYS  63   0.809 -19.343   0.426
  432   2HB   LYS  63          2HB       LYS  63   0.651 -18.653   2.028
  433   1HG   LYS  63          1HG       LYS  63  -1.016 -16.960   0.869
  434   2HG   LYS  63          2HG       LYS  63  -1.070 -18.147  -0.419
  435   1HD   LYS  63          1HD       LYS  63  -1.800 -18.592   2.511
  436   2HD   LYS  63          2HD       LYS  63  -2.894 -18.606   1.142
  437   1HE   LYS  63          1HE       LYS  63  -1.953 -20.655   0.274
  438   2HE   LYS  63          2HE       LYS  63  -0.556 -20.550   1.327
  439   1HZ   LYS  63          1HZ       LYS  63  -2.402 -20.590   3.141
  440   2HZ   LYS  63          2HZ       LYS  63  -3.265 -21.339   1.974
  441   3HZ   LYS  63          3HZ       LYS  63  -1.849 -21.976   2.478
  442    H    SER  64           H        SER  64   0.506 -16.930   2.927
  443    HA   SER  64           HA       SER  64   1.304 -16.349   4.891
  444   1HB   SER  64          1HB       SER  64   3.543 -16.460   5.420
  445   2HB   SER  64          2HB       SER  64   3.612 -17.269   3.867
  446    HG   SER  64           HG       SER  64   4.033 -15.053   2.940
  447    H    VAL  65           H        VAL  65   1.798 -14.259   6.053
  448    HA   VAL  65           HA       VAL  65   1.076 -12.034   4.328
  449    HB   VAL  65           HB       VAL  65  -0.103 -12.683   6.492
  450   1HG1  VAL  65          1HG1      VAL  65   2.182 -12.922   7.698
  451   2HG1  VAL  65          2HG1      VAL  65   2.101 -11.152   7.870
  452   3HG1  VAL  65          3HG1      VAL  65   0.826 -12.174   8.575
  453   1HG2  VAL  65          1HG2      VAL  65  -0.235 -10.463   5.227
  454   2HG2  VAL  65          2HG2      VAL  65  -0.712 -10.444   6.942
  455   3HG2  VAL  65          3HG2      VAL  65   0.884  -9.823   6.454
  456    H    ASN  66           H        ASN  66   3.727 -13.146   4.000
  457    HA   ASN  66           HA       ASN  66   5.288 -10.985   5.181
  458   1HB   ASN  66          1HB       ASN  66   6.349 -13.641   4.093
  459   2HB   ASN  66          2HB       ASN  66   7.251 -12.456   5.017
  460   2HD2  ASN  66          1HD2      ASN  66   6.221 -11.861   7.172
  461   1HD2  ASN  66          2HD2      ASN  66   5.647 -13.164   8.158
  462    H    SER  67           H        SER  67   3.610 -11.620   2.494
  463    HA   SER  67           HA       SER  67   5.754 -11.137   0.609
  464   1HB   SER  67          1HB       SER  67   3.017 -12.293   0.479
  465   2HB   SER  67          2HB       SER  67   3.437 -11.285  -0.891
  466    HG   SER  67           HG       SER  67   4.232 -13.235  -1.513
  467    H    TRP  68           H        TRP  68   6.264  -9.000   0.291
  468    HA   TRP  68           HA       TRP  68   4.867  -6.843   1.146
  469   1HB   TRP  68          1HB       TRP  68   7.121  -6.644   0.417
  470   2HB   TRP  68          2HB       TRP  68   6.722  -7.158  -1.210
  471    HD1  TRP  68           HD1      TRP  68   6.795  -5.105  -2.810
  472    HE1  TRP  68           HE1      TRP  68   6.184  -2.538  -2.779
  473    HE3  TRP  68           HE3      TRP  68   5.207  -5.003   2.020
  474    HZ2  TRP  68           HZ2      TRP  68   5.128  -0.792  -0.783
  475    HZ3  TRP  68           HZ3      TRP  68   4.402  -2.827   2.932
  476    HH2  TRP  68           HH2      TRP  68   4.347  -0.769   1.614
  477    H    TYR  69           H        TYR  69   4.483  -8.775  -1.786
  478    HA   TYR  69           HA       TYR  69   2.357  -7.005  -2.807
  479   1HB   TYR  69          1HB       TYR  69   4.073  -7.925  -4.332
  480   2HB   TYR  69          2HB       TYR  69   3.561  -9.567  -3.907
  481    HD1  TYR  69           HD1      TYR  69   2.531  -6.426  -5.599
  482    HD2  TYR  69           HD2      TYR  69   1.621 -10.564  -4.885
  483    HE1  TYR  69           HE1      TYR  69   0.827  -6.363  -7.400
  484    HE2  TYR  69           HE2      TYR  69  -0.082 -10.500  -6.686
  485    HH   TYR  69           HH       TYR  69  -0.777  -9.234  -8.600
  486    H    LYS  70           H        LYS  70   1.462  -7.902  -0.385
  487    HA   LYS  70           HA       LYS  70  -0.597  -9.767  -1.231
  488   1HB   LYS  70          1HB       LYS  70   1.458 -10.953  -0.103
  489   2HB   LYS  70          2HB       LYS  70   0.784 -10.313   1.382
  490   1HG   LYS  70          1HG       LYS  70  -1.488 -11.322   0.558
  491   2HG   LYS  70          2HG       LYS  70  -0.521 -12.222  -0.593
  492   1HD   LYS  70          1HD       LYS  70   0.550 -13.489   1.073
  493   2HD   LYS  70          2HD       LYS  70   0.324 -12.263   2.304
  494   1HE   LYS  70          1HE       LYS  70  -1.881 -12.912   2.759
  495   2HE   LYS  70          2HE       LYS  70  -2.152 -13.526   1.140
  496   1HZ   LYS  70          1HZ       LYS  70  -0.353 -15.217   1.855
  497   2HZ   LYS  70          2HZ       LYS  70  -0.811 -14.813   3.369
  498   3HZ   LYS  70          3HZ       LYS  70  -1.903 -15.428   2.322
  499    H    VAL  71           H        VAL  71   0.731  -7.974   1.643
  500    HA   VAL  71           HA       VAL  71  -1.892  -7.416   2.596
  501    HB   VAL  71           HB       VAL  71  -0.842  -6.522   4.417
  502   1HG1  VAL  71          1HG1      VAL  71   0.172  -8.868   3.496
  503   2HG1  VAL  71          2HG1      VAL  71   1.665  -7.914   3.668
  504   3HG1  VAL  71          3HG1      VAL  71   0.592  -8.148   5.069
  505   1HG2  VAL  71          1HG2      VAL  71   1.048  -5.389   2.428
  506   2HG2  VAL  71          2HG2      VAL  71   0.325  -4.653   3.878
  507   3HG2  VAL  71          3HG2      VAL  71   1.723  -5.744   4.036
  508    H    VAL  72           H        VAL  72  -0.260  -6.320  -0.091
  509    HA   VAL  72           HA       VAL  72  -1.150  -3.559   0.200
  510    HB   VAL  72           HB       VAL  72   0.671  -5.043  -1.673
  511   1HG1  VAL  72          1HG1      VAL  72  -0.579  -2.317  -2.114
  512   2HG1  VAL  72          2HG1      VAL  72   0.920  -2.847  -2.915
  513   3HG1  VAL  72          3HG1      VAL  72  -0.601  -3.727  -3.200
  514   1HG2  VAL  72          1HG2      VAL  72   1.437  -4.056   0.549
  515   2HG2  VAL  72          2HG2      VAL  72   2.344  -3.552  -0.898
  516   3HG2  VAL  72          3HG2      VAL  72   1.143  -2.455  -0.173
  517    H    HIS  73           H        HIS  73  -1.614  -6.505  -1.686
  518    HA   HIS  73           HA       HIS  73  -3.991  -5.268  -3.022
  519   1HB   HIS  73          1HB       HIS  73  -2.322  -7.731  -3.777
  520   2HB   HIS  73          2HB       HIS  73  -3.734  -7.062  -4.703
  521    HD1  HIS  73           HD1      HIS  73  -0.120  -6.646  -4.102
  522    HD2  HIS  73           HD2      HIS  73  -3.173  -4.643  -6.135
  523    HE1  HIS  73           HE1      HIS  73   1.044  -4.970  -5.677
  524    H    ASP  74           H        ASP  74  -3.580  -6.572  -0.180
  525    HA   ASP  74           HA       ASP  74  -5.066  -8.942  -0.271
  526   1HB   ASP  74          1HB       ASP  74  -3.551  -7.643   1.617
  527   2HB   ASP  74          2HB       ASP  74  -5.157  -7.257   2.201
  528    H    ALA  75           H        ALA  75  -6.693  -7.612  -1.847
  529    HA   ALA  75           HA       ALA  75  -8.409  -5.699  -1.005
  530   1HB   ALA  75          2HB       ALA  75  -9.467  -8.075  -2.527
  531   2HB   ALA  75          1HB       ALA  75  -8.171  -7.086  -3.240
  532   3HB   ALA  75          3HB       ALA  75  -9.729  -6.338  -2.813
  533    H    LYS  76           H        LYS  76  -8.227  -9.092   0.022
  534    HA   LYS  76           HA       LYS  76 -10.805  -9.222   1.150
  535   1HB   LYS  76          1HB       LYS  76  -9.900 -11.300   0.763
  536   2HB   LYS  76          2HB       LYS  76  -8.291 -10.832   1.273
  537   1HG   LYS  76          1HG       LYS  76  -9.132 -10.683   3.655
  538   2HG   LYS  76          2HG       LYS  76 -10.695 -11.259   3.110
  539   1HD   LYS  76          1HD       LYS  76  -9.475 -13.314   2.151
  540   2HD   LYS  76          2HD       LYS  76  -8.041 -12.759   2.991
  541   1HE   LYS  76          1HE       LYS  76 -10.667 -13.108   4.483
  542   2HE   LYS  76          2HE       LYS  76  -9.617 -14.481   4.193
  543   1HZ   LYS  76          1HZ       LYS  76  -7.877 -12.746   5.122
  544   2HZ   LYS  76          2HZ       LYS  76  -9.204 -12.210   5.908
  545   3HZ   LYS  76          3HZ       LYS  76  -8.715 -13.757   6.091
  546    H    GLY  77           H        GLY  77  -7.551  -8.337   2.445
  547   1HA   GLY  77          2HA       GLY  77  -8.844  -6.743   4.500
  548   2HA   GLY  77          1HA       GLY  77  -7.140  -6.797   4.097
  549    H    GLY  78           H        GLY  78  -6.482  -7.051   6.303
  550   1HA   GLY  78          2HA       GLY  78  -5.564  -9.054   7.455
  551   2HA   GLY  78          1HA       GLY  78  -7.207  -9.664   7.490
  552    H    ALA  79           H        ALA  79  -5.278  -8.907   9.717
  553    HA   ALA  79           HA       ALA  79  -7.112  -7.890  11.507
  554   1HB   ALA  79          3HB       ALA  79  -5.448  -8.335  12.970
  555   2HB   ALA  79          2HB       ALA  79  -4.307  -7.260  12.128
  556   3HB   ALA  79          1HB       ALA  79  -4.539  -8.931  11.561
  557    H    LYS  80           H        LYS  80  -5.029  -6.268   9.156
  558    HA   LYS  80           HA       LYS  80  -6.191  -3.735  10.036
  559   1HB   LYS  80          1HB       LYS  80  -3.477  -4.459  10.430
  560   2HB   LYS  80          2HB       LYS  80  -3.496  -3.307   9.109
  561   1HG   LYS  80          1HG       LYS  80  -4.289  -1.578  10.432
  562   2HG   LYS  80          2HG       LYS  80  -5.267  -2.637  11.428
  563   1HD   LYS  80          1HD       LYS  80  -2.382  -3.179  11.733
  564   2HD   LYS  80          2HD       LYS  80  -2.787  -1.523  12.134
  565   1HE   LYS  80          1HE       LYS  80  -4.684  -3.544  13.228
  566   2HE   LYS  80          2HE       LYS  80  -3.054  -3.671  13.859
  567   1HZ   LYS  80          1HZ       LYS  80  -3.768  -0.986  13.785
  568   2HZ   LYS  80          2HZ       LYS  80  -4.977  -1.804  14.517
  569   3HZ   LYS  80          3HZ       LYS  80  -3.453  -1.913  15.092
  570    HA   PRO  81           HA       PRO  81  -7.346  -3.204   5.877
  571   1HB   PRO  81          1HB       PRO  81  -6.867  -0.443   5.672
  572   2HB   PRO  81          2HB       PRO  81  -8.305  -1.195   6.436
  573   1HG   PRO  81          1HG       PRO  81  -5.806  -0.093   7.933
  574   2HG   PRO  81          2HG       PRO  81  -7.581   0.036   8.158
  575   1HD   PRO  81          1HD       PRO  81  -6.015  -1.839   9.460
  576   2HD   PRO  81          2HD       PRO  81  -7.707  -2.172   8.982
  577    H    THR  82           H        THR  82  -6.408  -2.791   3.716
  578    HA   THR  82           HA       THR  82  -3.470  -2.656   3.851
  579    HB   THR  82           HB       THR  82  -3.774  -3.847   1.546
  580    HG1  THR  82           HG1      THR  82  -5.909  -4.361   1.111
  581   1HG2  THR  82          1HG2      THR  82  -3.520  -4.935   4.061
  582   2HG2  THR  82          2HG2      THR  82  -5.100  -5.599   3.580
  583   3HG2  THR  82          3HG2      THR  82  -3.661  -5.917   2.582
  584    H    CYS  83           H        CYS  83  -4.937  -2.389   0.736
  585    HA   CYS  83           HA       CYS  83  -4.736   0.519   0.868
  586   1HB   CYS  83          1HB       CYS  83  -3.436  -1.180  -1.270
  587   2HB   CYS  83          2HB       CYS  83  -3.519   0.570  -1.258
  588    H    ILE  84           H        ILE  84  -5.609  -2.446  -1.035
  589    HA   ILE  84           HA       ILE  84  -7.535  -0.992  -2.584
  590    HB   ILE  84           HB       ILE  84  -6.450  -3.754  -2.474
  591   1HG1  ILE  84          1HG1      ILE  84  -6.787  -1.558  -4.489
  592   2HG1  ILE  84          2HG1      ILE  84  -5.344  -2.438  -4.026
  593   1HG2  ILE  84          1HG2      ILE  84  -8.873  -4.136  -2.358
  594   2HG2  ILE  84          2HG2      ILE  84  -9.101  -3.114  -3.797
  595   3HG2  ILE  84          3HG2      ILE  84  -8.193  -4.640  -3.923
  596   1HD1  ILE  84          1HD1      ILE  84  -6.354  -4.521  -5.077
  597   2HD1  ILE  84          2HD1      ILE  84  -7.676  -3.495  -5.683
  598   3HD1  ILE  84          3HD1      ILE  84  -6.007  -3.210  -6.230
  599    H    SER  85           H        SER  85  -7.440  -2.959   0.373
  600    HA   SER  85           HA       SER  85 -10.081  -3.646   0.524
  601   1HB   SER  85          1HB       SER  85  -9.678  -3.651   3.038
  602   2HB   SER  85          2HB       SER  85  -8.526  -4.577   2.096
  603    HG   SER  85           HG       SER  85  -7.343  -2.287   2.142
  604    H    CYS  86           H        CYS  86  -8.720  -1.090   2.700
  605    HA   CYS  86           HA       CYS  86 -10.945   0.160   3.386
  606   1HB   CYS  86          1HB       CYS  86  -8.734   0.817   4.197
  607   2HB   CYS  86          2HB       CYS  86  -8.334   1.521   2.643
  608    H    HIS  87           H        HIS  87  -8.997   0.953   0.498
  609    HA   HIS  87           HA       HIS  87 -10.585   2.924  -0.676
  610   1HB   HIS  87          1HB       HIS  87  -8.677   0.800  -1.697
  611   2HB   HIS  87          2HB       HIS  87  -9.624   1.789  -2.890
  612    HD1  HIS  87           HD1      HIS  87  -7.997   3.311  -3.807
  613    HD2  HIS  87           HD2      HIS  87  -7.659   3.122   0.355
  614    HE1  HIS  87           HE1      HIS  87  -6.250   5.087  -3.146
  615    H    LYS  88           H        LYS  88 -10.784  -0.671  -1.380
  616    HA   LYS  88           HA       LYS  88 -13.010  -0.497  -3.007
  617   1HB   LYS  88          1HB       LYS  88 -11.459  -2.457  -2.685
  618   2HB   LYS  88          2HB       LYS  88 -12.286  -2.803  -1.180
  619   1HG   LYS  88          1HG       LYS  88 -14.144  -3.635  -2.237
  620   2HG   LYS  88          2HG       LYS  88 -14.135  -2.380  -3.460
  621   1HD   LYS  88          1HD       LYS  88 -13.136  -3.764  -4.954
  622   2HD   LYS  88          2HD       LYS  88 -11.809  -4.068  -3.851
  623   1HE   LYS  88          1HE       LYS  88 -14.491  -5.471  -3.521
  624   2HE   LYS  88          2HE       LYS  88 -13.258  -6.104  -4.594
  625   1HZ   LYS  88          1HZ       LYS  88 -12.227  -5.414  -2.042
  626   2HZ   LYS  88          2HZ       LYS  88 -13.406  -6.540  -1.943
  627   3HZ   LYS  88          3HZ       LYS  88 -12.090  -6.814  -2.872
  628    H    ASP  89           H        ASP  89 -12.679  -0.348   0.522
  629    HA   ASP  89           HA       ASP  89 -15.491  -0.715   0.888
  630   1HB   ASP  89          1HB       ASP  89 -13.314  -1.158   2.485
  631   2HB   ASP  89          2HB       ASP  89 -13.773   0.431   3.065
  632    H    LYS  90           H        LYS  90 -13.797   1.699  -0.489
  633    HA   LYS  90           HA       LYS  90 -15.535   3.761   0.633
  634   1HB   LYS  90          1HB       LYS  90 -12.539   4.022   0.249
  635   2HB   LYS  90          2HB       LYS  90 -13.619   5.373   0.528
  636   1HG   LYS  90          1HG       LYS  90 -13.999   3.162   2.467
  637   2HG   LYS  90          2HG       LYS  90 -12.386   3.847   2.512
  638   1HD   LYS  90          1HD       LYS  90 -13.406   6.150   2.712
  639   2HD   LYS  90          2HD       LYS  90 -14.997   5.416   2.759
  640   1HE   LYS  90          1HE       LYS  90 -13.726   3.962   4.722
  641   2HE   LYS  90          2HE       LYS  90 -12.878   5.489   4.865
  642   1HZ   LYS  90          1HZ       LYS  90 -15.612   5.974   4.577
  643   2HZ   LYS  90          2HZ       LYS  90 -15.399   4.889   5.778
  644   3HZ   LYS  90          3HZ       LYS  90 -14.642   6.335   5.840
  645    H    ALA  91           H        ALA  91 -16.699   2.931  -1.372
  646    HA   ALA  91           HA       ALA  91 -16.434   4.778  -3.415
  647   1HB   ALA  91          1HB       ALA  91 -14.405   2.890  -3.609
  648   2HB   ALA  91          3HB       ALA  91 -15.015   3.902  -4.940
  649   3HB   ALA  91          2HB       ALA  91 -15.652   2.256  -4.709
  650    H    GLY  92           H        GLY  92 -17.008   1.185  -3.281
  651   1HA   GLY  92          2HA       GLY  92 -19.874   1.734  -3.698
  652   2HA   GLY  92          1HA       GLY  92 -19.183   0.291  -2.982
  653    H    ASP  93           H        ASP  93 -21.052   0.533  -5.295
  654    HA   ASP  93           HA       ASP  93 -19.480  -1.081  -7.085
  655   1HB   ASP  93          1HB       ASP  93 -21.650  -1.681  -8.086
  656   2HB   ASP  93          2HB       ASP  93 -21.715  -1.869  -6.345
  657    H    ASP  94           H        ASP  94 -19.244   1.965  -6.843
  658    HA   ASP  94           HA       ASP  94 -20.355   2.796  -9.378
  659   1HB   ASP  94          1HB       ASP  94 -19.634   4.082  -6.862
  660   2HB   ASP  94          2HB       ASP  94 -18.808   4.884  -8.183
  661    H    LYS  95           H        LYS  95 -18.857   1.595 -10.780
  662    HA   LYS  95           HA       LYS  95 -16.210   1.292 -10.596
  663   1HB   LYS  95          1HB       LYS  95 -17.946   1.861 -13.000
  664   2HB   LYS  95          2HB       LYS  95 -16.235   1.524 -13.166
  665   1HG   LYS  95          1HG       LYS  95 -16.447  -0.690 -12.447
  666   2HG   LYS  95          2HG       LYS  95 -17.837  -0.347 -11.436
  667   1HD   LYS  95          1HD       LYS  95 -19.201  -1.071 -13.092
  668   2HD   LYS  95          2HD       LYS  95 -18.654   0.249 -14.105
  669   1HE   LYS  95          1HE       LYS  95 -18.241  -1.837 -15.296
  670   2HE   LYS  95          2HE       LYS  95 -16.691  -1.161 -14.834
  671   1HZ   LYS  95          1HZ       LYS  95 -17.760  -2.848 -12.825
  672   2HZ   LYS  95          2HZ       LYS  95 -17.574  -3.639 -14.242
  673   3HZ   LYS  95          3HZ       LYS  95 -16.296  -2.896 -13.548
  674    H    GLU  96           H        GLU  96 -17.950   4.328 -11.168
  675    HA   GLU  96           HA       GLU  96 -15.935   5.827 -12.229
  676   1HB   GLU  96          1HB       GLU  96 -18.063   6.839 -12.140
  677   2HB   GLU  96          2HB       GLU  96 -18.293   6.456 -10.445
  678   1HG   GLU  96          1HG       GLU  96 -17.834   8.860 -10.697
  679   2HG   GLU  96          2HG       GLU  96 -16.522   8.097  -9.821
  680    H    LEU  97           H        LEU  97 -16.768   5.364  -8.718
  681    HA   LEU  97           HA       LEU  97 -14.232   6.597  -8.012
  682   1HB   LEU  97          1HB       LEU  97 -16.772   6.665  -6.921
  683   2HB   LEU  97          2HB       LEU  97 -15.911   5.575  -5.853
  684    HG   LEU  97           HG       LEU  97 -14.812   8.292  -6.587
  685   1HD1  LEU  97          1HD1      LEU  97 -17.184   7.810  -5.116
  686   2HD1  LEU  97          2HD1      LEU  97 -15.925   8.277  -3.948
  687   3HD1  LEU  97          3HD1      LEU  97 -16.300   9.341  -5.325
  688   1HD2  LEU  97          1HD2      LEU  97 -13.969   6.075  -4.876
  689   2HD2  LEU  97          2HD2      LEU  97 -13.042   7.452  -5.520
  690   3HD2  LEU  97          3HD2      LEU  97 -14.000   7.642  -4.032
  691    H    LYS  98           H        LYS  98 -15.174   3.634  -9.096
  692    HA   LYS  98           HA       LYS  98 -13.641   2.127  -7.131
  693   1HB   LYS  98          1HB       LYS  98 -15.944   1.579  -8.638
  694   2HB   LYS  98          2HB       LYS  98 -14.689   0.602  -9.373
  695   1HG   LYS  98          1HG       LYS  98 -15.620   0.589  -6.480
  696   2HG   LYS  98          2HG       LYS  98 -15.593  -0.748  -7.612
  697   1HD   LYS  98          1HD       LYS  98 -12.914   0.024  -7.553
  698   2HD   LYS  98          2HD       LYS  98 -13.417   0.317  -5.900
  699   1HE   LYS  98          1HE       LYS  98 -12.540  -2.033  -6.338
  700   2HE   LYS  98          2HE       LYS  98 -14.130  -1.975  -5.602
  701   1HZ   LYS  98          1HZ       LYS  98 -14.198  -1.934  -8.451
  702   2HZ   LYS  98          2HZ       LYS  98 -13.525  -3.293  -7.846
  703   3HZ   LYS  98          3HZ       LYS  98 -15.037  -2.864  -7.403
  704    H    LYS  99           H        LYS  99 -13.536   3.395 -10.453
  705    HA   LYS  99           HA       LYS  99 -11.367   1.828 -11.316
  706   1HB   LYS  99          1HB       LYS  99 -12.674   4.375 -12.235
  707   2HB   LYS  99          2HB       LYS  99 -11.159   3.866 -12.954
  708   1HG   LYS  99          1HG       LYS  99 -12.089   1.944 -13.915
  709   2HG   LYS  99          2HG       LYS  99 -13.325   1.791 -12.683
  710   1HD   LYS  99          1HD       LYS  99 -14.265   2.508 -14.892
  711   2HD   LYS  99          2HD       LYS  99 -14.590   3.669 -13.620
  712   1HE   LYS  99          1HE       LYS  99 -12.135   4.556 -14.597
  713   2HE   LYS  99          2HE       LYS  99 -12.910   3.957 -16.050
  714   1HZ   LYS  99          1HZ       LYS  99 -14.863   5.294 -15.394
  715   2HZ   LYS  99          2HZ       LYS  99 -13.984   5.953 -14.186
  716   3HZ   LYS  99          3HZ       LYS  99 -13.542   6.188 -15.740
  717    H    LYS 100           H        LYS 100 -11.595   5.135  -9.855
  718    HA   LYS 100           HA       LYS 100  -8.693   5.159  -9.632
  719   1HB   LYS 100          1HB       LYS 100 -10.505   7.110 -10.295
  720   2HB   LYS 100          2HB       LYS 100 -10.242   7.447  -8.597
  721   1HG   LYS 100          1HG       LYS 100  -7.788   7.514  -8.957
  722   2HG   LYS 100          2HG       LYS 100  -8.001   7.078 -10.641
  723   1HD   LYS 100          1HD       LYS 100  -7.665   9.569 -10.212
  724   2HD   LYS 100          2HD       LYS 100  -9.083   9.169 -11.160
  725   1HE   LYS 100          1HE       LYS 100  -9.503   9.256  -8.197
  726   2HE   LYS 100          2HE       LYS 100  -9.137  10.795  -8.951
  727   1HZ   LYS 100          1HZ       LYS 100 -11.008   9.357 -10.482
  728   2HZ   LYS 100          2HZ       LYS 100 -11.541   9.517  -8.947
  729   3HZ   LYS 100          3HZ       LYS 100 -11.148  10.842  -9.816
  730    H    LEU 101           H        LEU 101  -8.418   3.484  -8.061
  731    HA   LEU 101           HA       LEU 101  -8.004   4.126  -5.553
  732   1HB   LEU 101          1HB       LEU 101 -10.913   4.037  -5.962
  733   2HB   LEU 101          2HB       LEU 101 -10.349   3.085  -4.603
  734    HG   LEU 101           HG       LEU 101  -9.994   4.891  -3.340
  735   1HD1  LEU 101          1HD1      LEU 101  -8.564   5.975  -5.750
  736   2HD1  LEU 101          2HD1      LEU 101  -8.903   7.023  -4.352
  737   3HD1  LEU 101          3HD1      LEU 101  -7.926   5.549  -4.144
  738   1HD2  LEU 101          1HD2      LEU 101 -12.065   5.445  -5.067
  739   2HD2  LEU 101          2HD2      LEU 101 -11.667   6.349  -3.586
  740   3HD2  LEU 101          3HD2      LEU 101 -11.068   6.916  -5.163
  741    H    THR 102           H        THR 102  -9.330   1.830  -7.863
  742    HA   THR 102           HA       THR 102  -7.761  -0.262  -6.558
  743    HB   THR 102           HB       THR 102  -9.630  -1.809  -6.565
  744    HG1  THR 102           HG1      THR 102 -11.130  -1.402  -8.137
  745   1HG2  THR 102          1HG2      THR 102  -9.738  -0.003  -4.726
  746   2HG2  THR 102          2HG2      THR 102 -10.892   0.860  -5.771
  747   3HG2  THR 102          3HG2      THR 102 -11.296  -0.756  -5.144
  748    H    GLY 103           H        GLY 103  -9.697   0.810  -9.407
  749   1HA   GLY 103          2HA       GLY 103  -9.067   0.768 -11.593
  750   2HA   GLY 103          1HA       GLY 103  -9.116  -0.961 -11.309
  751    H    CYS 104           H        CYS 104  -7.434  -1.175 -12.981
  752    HA   CYS 104           HA       CYS 104  -4.809  -0.832 -11.788
  753   1HB   CYS 104          1HB       CYS 104  -5.485  -2.342 -14.312
  754   2HB   CYS 104          2HB       CYS 104  -4.025  -2.450 -13.349
  755    H    LYS 105           H        LYS 105  -6.067  -0.725 -15.201
  756    HA   LYS 105           HA       LYS 105  -4.214   1.392 -15.799
  757   1HB   LYS 105          1HB       LYS 105  -4.473  -0.348 -17.426
  758   2HB   LYS 105          2HB       LYS 105  -6.216  -0.168 -17.447
  759   1HG   LYS 105          1HG       LYS 105  -5.598   2.369 -18.102
  760   2HG   LYS 105          2HG       LYS 105  -4.106   1.627 -18.643
  761   1HD   LYS 105          1HD       LYS 105  -5.391   1.438 -20.582
  762   2HD   LYS 105          2HD       LYS 105  -5.721  -0.113 -19.837
  763   1HE   LYS 105          1HE       LYS 105  -7.753   1.075 -18.697
  764   2HE   LYS 105          2HE       LYS 105  -7.491   2.364 -19.855
  765   1HZ   LYS 105          1HZ       LYS 105  -7.419   0.050 -21.301
  766   2HZ   LYS 105          2HZ       LYS 105  -8.665  -0.152 -20.265
  767   3HZ   LYS 105          3HZ       LYS 105  -8.634   1.140 -21.263
  768    H    GLY 106           H        GLY 106  -4.746   3.320 -14.837
  769   1HA   GLY 106          2HA       GLY 106  -7.417   4.387 -15.517
  770   2HA   GLY 106          1HA       GLY 106  -5.953   5.335 -15.338
  771    H    SER 107           H        SER 107  -4.950   3.883 -12.951
  772    HA   SER 107           HA       SER 107  -6.896   4.949 -11.061
  773   1HB   SER 107          1HB       SER 107  -7.147   2.717 -10.532
  774   2HB   SER 107          2HB       SER 107  -5.567   2.276 -11.148
  775    HG   SER 107           HG       SER 107  -4.605   2.802  -9.235
  776    H    ALA 108           H        ALA 108  -5.826   5.530  -8.885
  777    HA   ALA 108           HA       ALA 108  -3.394   6.963  -9.471
  778   1HB   ALA 108          3HB       ALA 108  -3.933   8.229  -7.606
  779   2HB   ALA 108          2HB       ALA 108  -4.675   6.854  -6.753
  780   3HB   ALA 108          1HB       ALA 108  -5.550   7.656  -8.079
  781    H    CYS 109           H        CYS 109  -2.781   4.330  -9.799
  782    HA   CYS 109           HA       CYS 109  -0.954   3.935  -7.613
  783   1HB   CYS 109          1HB       CYS 109  -3.129   1.920  -8.232
  784   2HB   CYS 109          2HB       CYS 109  -1.635   1.477  -7.428
  785    H    HIS 110           H        HIS 110  -2.486   2.625 -10.548
  786    HA   HIS 110           HA       HIS 110   0.226   2.212 -11.746
  787   1HB   HIS 110          1HB       HIS 110  -2.173   0.310 -11.959
  788   2HB   HIS 110          2HB       HIS 110  -0.552   0.111 -12.752
  789    HD1  HIS 110           HD1      HIS 110   1.295   0.567 -10.452
  790    HD2  HIS 110           HD2      HIS 110  -2.211  -1.681 -10.100
  791    HE1  HIS 110           HE1      HIS 110   1.654  -1.016  -8.449
  792    HA   PRO 111           HA       PRO 111  -2.312   4.814 -14.527
  793   1HB   PRO 111          1HB       PRO 111  -0.536   6.879 -14.734
  794   2HB   PRO 111          2HB       PRO 111  -1.618   6.690 -13.315
  795   1HG   PRO 111          1HG       PRO 111   1.392   6.026 -13.423
  796   2HG   PRO 111          2HG       PRO 111   0.207   6.744 -12.284
  797   1HD   PRO 111          1HD       PRO 111   1.089   3.979 -12.475
  798   2HD   PRO 111          2HD       PRO 111  -0.187   4.641 -11.408
  799    H    SER 112           H        SER 112  -2.150   4.678 -16.798
  800    HA   SER 112           HA       SER 112  -1.394   3.815 -18.663
  801   1HB   SER 112          1HB       SER 112   0.599   4.921 -19.574
  802   2HB   SER 112          2HB       SER 112  -0.363   6.073 -18.668
  803    HG   SER 112           HG       SER 112   2.229   5.156 -18.195

  No H/Q in entry =         803
  Start of MODEL    2
    1    H1   VAL   1           H1       VAL   1   8.792  10.817  13.003
    2    H2   VAL   1           H2       VAL   1   9.957  10.540  14.147
    3    H3   VAL   1           H3       VAL   1   9.070  11.938  14.189
    4    HA   VAL   1           HA       VAL   1  10.949  12.697  13.321
    5    HB   VAL   1           HB       VAL   1  12.383  10.983  13.081
    6   1HG1  VAL   1          1HG1      VAL   1  10.005   9.462  12.077
    7   2HG1  VAL   1          2HG1      VAL   1  11.633   8.854  11.690
    8   3HG1  VAL   1          3HG1      VAL   1  11.144   9.071  13.388
    9   1HG2  VAL   1          1HG2      VAL   1  12.096  12.318  10.804
   10   2HG2  VAL   1          2HG2      VAL   1  13.214  10.940  10.941
   11   3HG2  VAL   1          3HG2      VAL   1  11.610  10.715  10.200
   12    H    ASP   2           H        ASP   2   9.308  14.205  12.611
   13    HA   ASP   2           HA       ASP   2   7.939  15.162  11.187
   14   1HB   ASP   2          1HB       ASP   2  10.462  15.349  10.291
   15   2HB   ASP   2          2HB       ASP   2   9.828  14.421   8.946
   16    H    VAL   3           H        VAL   3   7.644  14.748   8.277
   17    HA   VAL   3           HA       VAL   3   6.696  11.985   8.123
   18    HB   VAL   3           HB       VAL   3   4.961  13.890   8.766
   19   1HG1  VAL   3          1HG1      VAL   3   5.673  15.142   6.613
   20   2HG1  VAL   3          2HG1      VAL   3   4.676  13.938   5.762
   21   3HG1  VAL   3          3HG1      VAL   3   3.937  15.004   6.981
   22   1HG2  VAL   3          1HG2      VAL   3   4.608  11.404   8.322
   23   2HG2  VAL   3          2HG2      VAL   3   3.225  12.474   7.991
   24   3HG2  VAL   3          3HG2      VAL   3   4.217  11.860   6.647
   25    HA   PRO   4           HA       PRO   4   9.005  11.796   4.427
   26   1HB   PRO   4          1HB       PRO   4   6.532  10.306   3.484
   27   2HB   PRO   4          2HB       PRO   4   8.268   9.870   3.378
   28   1HG   PRO   4          1HG       PRO   4   6.708   8.729   5.370
   29   2HG   PRO   4          2HG       PRO   4   8.425   9.248   5.379
   30   1HD   PRO   4          1HD       PRO   4   5.957  10.571   6.580
   31   2HD   PRO   4          2HD       PRO   4   7.617  10.466   7.241
   32    H    ALA   5           H        ALA   5   9.159  13.188   2.640
   33    HA   ALA   5           HA       ALA   5   7.174  15.146   2.315
   34   1HB   ALA   5          3HB       ALA   5   8.590  15.920   0.494
   35   2HB   ALA   5          2HB       ALA   5   9.420  14.346   0.422
   36   3HB   ALA   5          1HB       ALA   5   9.624  15.395   1.845
   37    H    ASP   6           H        ASP   6   7.046  15.329  -0.580
   38    HA   ASP   6           HA       ASP   6   5.345  13.015  -1.089
   39   1HB   ASP   6          1HB       ASP   6   4.803  15.524  -2.602
   40   2HB   ASP   6          2HB       ASP   6   3.672  14.378  -1.908
   41    H    GLY   7           H        GLY   7   5.067  12.643  -3.574
   42   1HA   GLY   7          2HA       GLY   7   7.186  13.753  -5.233
   43   2HA   GLY   7          1HA       GLY   7   5.847  12.742  -5.737
   44    H    ALA   8           H        ALA   8   6.426  10.843  -3.362
   45    HA   ALA   8           HA       ALA   8   8.993   9.745  -4.156
   46   1HB   ALA   8          1HB       ALA   8   7.011   9.290  -1.922
   47   2HB   ALA   8          2HB       ALA   8   8.266   8.076  -2.273
   48   3HB   ALA   8          3HB       ALA   8   8.732   9.735  -1.828
   49    H    LYS   9           H        LYS   9   9.157   7.385  -4.677
   50    HA   LYS   9           HA       LYS   9   6.713   6.403  -5.965
   51   1HB   LYS   9          1HB       LYS   9   7.639   6.296  -7.999
   52   2HB   LYS   9          2HB       LYS   9   8.799   7.458  -7.389
   53   1HG   LYS   9          1HG       LYS   9   9.164   4.430  -7.208
   54   2HG   LYS   9          2HG       LYS   9   9.848   5.424  -8.480
   55   1HD   LYS   9          1HD       LYS   9  10.462   6.555  -5.847
   56   2HD   LYS   9          2HD       LYS   9  10.983   4.884  -5.936
   57   1HE   LYS   9          1HE       LYS   9  11.754   7.149  -7.829
   58   2HE   LYS   9          2HE       LYS   9  12.811   6.291  -6.726
   59   1HZ   LYS   9          1HZ       LYS   9  11.886   4.279  -8.127
   60   2HZ   LYS   9          2HZ       LYS   9  11.762   5.440  -9.269
   61   3HZ   LYS   9          3HZ       LYS   9  13.208   5.124  -8.580
   62    H    ILE  10           H        ILE  10   6.242   4.276  -5.558
   63    HA   ILE  10           HA       ILE  10   8.144   2.907  -3.815
   64    HB   ILE  10           HB       ILE  10   5.214   2.407  -4.351
   65   1HG1  ILE  10          1HG1      ILE  10   6.616   3.707  -1.997
   66   2HG1  ILE  10          2HG1      ILE  10   5.596   4.513  -3.172
   67   1HG2  ILE  10          1HG2      ILE  10   6.979   0.522  -3.555
   68   2HG2  ILE  10          2HG2      ILE  10   6.542   1.230  -1.981
   69   3HG2  ILE  10          3HG2      ILE  10   5.275   0.571  -3.044
   70   1HD1  ILE  10          1HD1      ILE  10   3.809   2.674  -2.452
   71   2HD1  ILE  10          2HD1      ILE  10   4.818   2.580  -0.988
   72   3HD1  ILE  10          3HD1      ILE  10   4.062   4.124  -1.452
   73    H    ASP  11           H        ASP  11   9.489   1.445  -4.705
   74    HA   ASP  11           HA       ASP  11   8.413  -0.331  -6.674
   75   1HB   ASP  11          1HB       ASP  11   9.350   1.684  -7.938
   76   2HB   ASP  11          2HB       ASP  11  10.926   1.295  -7.278
   77    H    PHE  12           H        PHE  12   8.864  -1.953  -5.030
   78    HA   PHE  12           HA       PHE  12  11.672  -2.190  -4.244
   79   1HB   PHE  12          1HB       PHE  12   8.969  -3.223  -3.228
   80   2HB   PHE  12          2HB       PHE  12  10.464  -3.919  -2.636
   81    HD1  PHE  12           HD1      PHE  12  12.168  -2.297  -1.572
   82    HD2  PHE  12           HD2      PHE  12   8.093  -1.308  -2.226
   83    HE1  PHE  12           HE1      PHE  12  12.333  -0.477   0.149
   84    HE2  PHE  12           HE2      PHE  12   8.259   0.512  -0.505
   85    HZ   PHE  12           HZ       PHE  12  10.377   0.905   0.661
   86    H    ILE  13           H        ILE  13   8.845  -4.120  -5.452
   87    HA   ILE  13           HA       ILE  13  10.252  -6.495  -5.797
   88    HB   ILE  13           HB       ILE  13   7.861  -5.471  -7.333
   89   1HG1  ILE  13          1HG1      ILE  13   8.143  -6.654  -4.583
   90   2HG1  ILE  13          2HG1      ILE  13   7.211  -5.265  -5.104
   91   1HG2  ILE  13          1HG2      ILE  13   8.881  -7.425  -8.372
   92   2HG2  ILE  13          2HG2      ILE  13   8.842  -8.293  -6.819
   93   3HG2  ILE  13          3HG2      ILE  13   7.320  -7.846  -7.627
   94   1HD1  ILE  13          1HD1      ILE  13   5.828  -6.951  -6.533
   95   2HD1  ILE  13          2HD1      ILE  13   6.595  -8.207  -5.531
   96   3HD1  ILE  13          3HD1      ILE  13   5.580  -6.958  -4.771
   97    H    ALA  14           H        ALA  14  11.050  -7.516  -7.771
   98    HA   ALA  14           HA       ALA  14  12.946  -6.136  -9.085
   99   1HB   ALA  14          3HB       ALA  14  13.245  -8.197  -9.923
  100   2HB   ALA  14          2HB       ALA  14  11.785  -8.021 -10.926
  101   3HB   ALA  14          1HB       ALA  14  11.658  -8.676  -9.276
  102    H    GLY  15           H        GLY  15  13.076  -5.458 -11.444
  103   1HA   GLY  15          2HA       GLY  15  10.618  -3.970 -12.146
  104   2HA   GLY  15          1HA       GLY  15  11.544  -4.857 -13.340
  105    H    GLY  16           H        GLY  16  14.213  -4.311 -12.432
  106   1HA   GLY  16          2HA       GLY  16  15.798  -2.690 -12.322
  107   2HA   GLY  16          1HA       GLY  16  14.553  -1.474 -12.118
  108    H    GLU  17           H        GLU  17  13.085  -1.162 -14.205
  109    HA   GLU  17           HA       GLU  17  14.758  -0.206 -16.174
  110   1HB   GLU  17          1HB       GLU  17  14.503  -1.718 -18.010
  111   2HB   GLU  17          2HB       GLU  17  14.992  -2.706 -16.648
  112   1HG   GLU  17          1HG       GLU  17  12.164  -2.616 -16.484
  113   2HG   GLU  17          2HG       GLU  17  12.501  -2.787 -18.195
  114    H    LYS  18           H        LYS  18  12.777   0.991 -14.764
  115    HA   LYS  18           HA       LYS  18  10.961   2.227 -14.972
  116   1HB   LYS  18          1HB       LYS  18  11.476   1.611 -17.875
  117   2HB   LYS  18          2HB       LYS  18  10.051   2.513 -17.400
  118   1HG   LYS  18          1HG       LYS  18  11.265   4.397 -17.030
  119   2HG   LYS  18          2HG       LYS  18  12.389   3.545 -15.990
  120   1HD   LYS  18          1HD       LYS  18  13.854   4.102 -17.694
  121   2HD   LYS  18          2HD       LYS  18  13.285   2.573 -18.332
  122   1HE   LYS  18          1HE       LYS  18  11.737   5.081 -19.010
  123   2HE   LYS  18          2HE       LYS  18  13.256   4.788 -19.834
  124   1HZ   LYS  18          1HZ       LYS  18  12.258   2.471 -20.204
  125   2HZ   LYS  18          2HZ       LYS  18  10.824   3.189 -19.896
  126   3HZ   LYS  18          3HZ       LYS  18  11.747   3.709 -21.139
  127    H    ASN  19           H        ASN  19  10.321   0.100 -13.695
  128    HA   ASN  19           HA       ASN  19   8.443  -1.495 -15.142
  129   1HB   ASN  19          1HB       ASN  19   8.285  -2.800 -13.103
  130   2HB   ASN  19          2HB       ASN  19   9.973  -2.358 -13.271
  131   2HD2  ASN  19          1HD2      ASN  19   8.040  -2.936 -10.977
  132   1HD2  ASN  19          2HD2      ASN  19   8.310  -1.664  -9.832
  133    H    LEU  20           H        LEU  20   6.630  -1.834 -12.764
  134    HA   LEU  20           HA       LEU  20   4.968   0.471 -13.259
  135   1HB   LEU  20          1HB       LEU  20   4.518  -2.063 -11.676
  136   2HB   LEU  20          2HB       LEU  20   3.316  -0.811 -11.922
  137    HG   LEU  20           HG       LEU  20   4.334  -2.880 -13.800
  138   1HD1  LEU  20          1HD1      LEU  20   1.910  -2.268 -12.561
  139   2HD1  LEU  20          2HD1      LEU  20   1.674  -1.816 -14.267
  140   3HD1  LEU  20          3HD1      LEU  20   2.191  -3.467 -13.847
  141   1HD2  LEU  20          1HD2      LEU  20   5.040  -0.767 -14.881
  142   2HD2  LEU  20          2HD2      LEU  20   3.781  -1.633 -15.793
  143   3HD2  LEU  20          3HD2      LEU  20   3.353  -0.202 -14.825
  144    H    THR  21           H        THR  21   5.552   2.305 -12.191
  145    HA   THR  21           HA       THR  21   6.385   2.019  -9.392
  146    HB   THR  21           HB       THR  21   6.537   4.634 -10.861
  147    HG1  THR  21           HG1      THR  21   8.041   3.767 -12.317
  148   1HG2  THR  21          1HG2      THR  21   8.479   2.926  -9.218
  149   2HG2  THR  21          2HG2      THR  21   8.911   4.485  -9.962
  150   3HG2  THR  21          3HG2      THR  21   7.672   4.420  -8.685
  151    H    VAL  22           H        VAL  22   5.328   3.004  -7.696
  152    HA   VAL  22           HA       VAL  22   2.763   4.240  -8.431
  153    HB   VAL  22           HB       VAL  22   3.483   2.220  -6.327
  154   1HG1  VAL  22          1HG1      VAL  22   1.526   4.436  -6.100
  155   2HG1  VAL  22          2HG1      VAL  22   0.915   2.818  -5.678
  156   3HG1  VAL  22          3HG1      VAL  22   2.336   3.481  -4.835
  157   1HG2  VAL  22          1HG2      VAL  22   1.420   2.450  -8.520
  158   2HG2  VAL  22          2HG2      VAL  22   2.635   1.178  -8.248
  159   3HG2  VAL  22          3HG2      VAL  22   1.222   1.303  -7.174
  160    H    VAL  23           H        VAL  23   2.464   6.291  -7.702
  161    HA   VAL  23           HA       VAL  23   4.539   7.366  -5.972
  162    HB   VAL  23           HB       VAL  23   2.421   8.535  -7.763
  163   1HG1  VAL  23          1HG1      VAL  23   3.939   9.859  -5.535
  164   2HG1  VAL  23          2HG1      VAL  23   3.592  10.773  -7.022
  165   3HG1  VAL  23          3HG1      VAL  23   2.255  10.092  -6.063
  166   1HG2  VAL  23          1HG2      VAL  23   5.329   8.089  -7.876
  167   2HG2  VAL  23          2HG2      VAL  23   4.148   8.314  -9.189
  168   3HG2  VAL  23          3HG2      VAL  23   4.825   9.729  -8.349
  169    H    PHE  24           H        PHE  24   4.237   7.782  -3.836
  170    HA   PHE  24           HA       PHE  24   1.471   7.578  -2.871
  171   1HB   PHE  24          1HB       PHE  24   3.066   5.772  -2.139
  172   2HB   PHE  24          2HB       PHE  24   4.213   6.984  -1.605
  173    HD1  PHE  24           HD1      PHE  24   3.389   8.605   0.257
  174    HD2  PHE  24           HD2      PHE  24   1.538   4.890  -0.626
  175    HE1  PHE  24           HE1      PHE  24   2.356   8.576   2.545
  176    HE2  PHE  24           HE2      PHE  24   0.505   4.861   1.661
  177    HZ   PHE  24           HZ       PHE  24   0.926   6.705   3.219
  178    H    ASN  25           H        ASN  25   0.794   9.023  -1.173
  179    HA   ASN  25           HA       ASN  25   2.638  11.208  -0.678
  180   1HB   ASN  25          1HB       ASN  25  -0.280  11.875  -1.079
  181   2HB   ASN  25          2HB       ASN  25   1.128  12.880  -1.362
  182   2HD2  ASN  25          1HD2      ASN  25   0.812  13.474  -3.409
  183   1HD2  ASN  25          2HD2      ASN  25   0.737  12.411  -4.774
  184    H    HIS  26           H        HIS  26   2.724  11.507   1.468
  185    HA   HIS  26           HA       HIS  26   0.964  10.112   3.303
  186   1HB   HIS  26          1HB       HIS  26   3.395  11.898   3.438
  187   2HB   HIS  26          2HB       HIS  26   2.378  11.731   4.932
  188    HD1  HIS  26           HD1      HIS  26   4.640   9.832   2.652
  189    HD2  HIS  26           HD2      HIS  26   2.594   9.262   6.252
  190    HE1  HIS  26           HE1      HIS  26   5.571   7.655   3.671
  191    H    SER  27           H        SER  27   0.585  12.991   1.507
  192    HA   SER  27           HA       SER  27  -0.880  14.347   3.570
  193   1HB   SER  27          1HB       SER  27  -1.286  16.046   1.742
  194   2HB   SER  27          2HB       SER  27   0.407  15.750   2.087
  195    HG   SER  27           HG       SER  27  -1.140  14.700  -0.122
  196    H    THR  28           H        THR  28  -1.425  11.831   1.342
  197    HA   THR  28           HA       THR  28  -4.292  12.479   1.158
  198    HB   THR  28           HB       THR  28  -4.150  10.766  -0.763
  199    HG1  THR  28           HG1      THR  28  -1.939  10.270  -1.352
  200   1HG2  THR  28          1HG2      THR  28  -2.860  13.466  -0.703
  201   2HG2  THR  28          2HG2      THR  28  -2.352  12.411  -2.045
  202   3HG2  THR  28          3HG2      THR  28  -4.072  12.818  -1.834
  203    H    HIS  29           H        HIS  29  -2.756  11.389   3.434
  204    HA   HIS  29           HA       HIS  29  -4.644   9.296   4.146
  205   1HB   HIS  29          1HB       HIS  29  -1.696   8.586   3.679
  206   2HB   HIS  29          2HB       HIS  29  -2.890   7.544   4.566
  207    HD1  HIS  29           HD1      HIS  29  -1.610   8.355   1.256
  208    HD2  HIS  29           HD2      HIS  29  -5.004   6.494   2.834
  209    HE1  HIS  29           HE1      HIS  29  -2.680   7.043  -0.688
  210    H    LYS  30           H        LYS  30  -3.914  11.963   5.088
  211    HA   LYS  30           HA       LYS  30  -2.369  11.502   7.488
  212   1HB   LYS  30          1HB       LYS  30  -2.044  13.725   7.499
  213   2HB   LYS  30          2HB       LYS  30  -2.601  13.645   5.840
  214   1HG   LYS  30          1HG       LYS  30  -5.017  13.859   6.960
  215   2HG   LYS  30          2HG       LYS  30  -4.115  14.522   8.308
  216   1HD   LYS  30          1HD       LYS  30  -2.994  16.115   6.616
  217   2HD   LYS  30          2HD       LYS  30  -4.171  15.562   5.442
  218   1HE   LYS  30          1HE       LYS  30  -5.579  17.153   6.250
  219   2HE   LYS  30          2HE       LYS  30  -5.743  16.170   7.691
  220   1HZ   LYS  30          1HZ       LYS  30  -3.693  18.236   7.280
  221   2HZ   LYS  30          2HZ       LYS  30  -5.026  18.390   8.212
  222   3HZ   LYS  30          3HZ       LYS  30  -3.859  17.326   8.626
  223    H    ASP  31           H        ASP  31  -5.721  11.609   6.395
  224    HA   ASP  31           HA       ASP  31  -6.729  11.990   9.028
  225   1HB   ASP  31          1HB       ASP  31  -8.843  12.032   8.018
  226   2HB   ASP  31          2HB       ASP  31  -7.819  12.576   6.704
  227    H    VAL  32           H        VAL  32  -5.033   9.516   7.735
  228    HA   VAL  32           HA       VAL  32  -6.798   7.406   8.757
  229    HB   VAL  32           HB       VAL  32  -4.517   7.422   6.783
  230   1HG1  VAL  32          1HG1      VAL  32  -5.672   5.154   8.363
  231   2HG1  VAL  32          2HG1      VAL  32  -5.237   4.872   6.660
  232   3HG1  VAL  32          3HG1      VAL  32  -4.003   5.432   7.813
  233   1HG2  VAL  32          1HG2      VAL  32  -7.485   7.050   6.651
  234   2HG2  VAL  32          2HG2      VAL  32  -6.389   7.919   5.550
  235   3HG2  VAL  32          3HG2      VAL  32  -6.465   6.141   5.511
  236    H    LYS  33           H        LYS  33  -6.158   6.132  10.482
  237    HA   LYS  33           HA       LYS  33  -4.575   7.090  12.414
  238   1HB   LYS  33          1HB       LYS  33  -4.725   4.129  11.820
  239   2HB   LYS  33          2HB       LYS  33  -4.582   4.915  13.379
  240   1HG   LYS  33          1HG       LYS  33  -6.853   4.715  13.483
  241   2HG   LYS  33          2HG       LYS  33  -6.884   6.098  12.408
  242   1HD   LYS  33          1HD       LYS  33  -8.160   4.651  11.131
  243   2HD   LYS  33          2HD       LYS  33  -6.580   4.199  10.524
  244   1HE   LYS  33          1HE       LYS  33  -6.465   2.307  12.118
  245   2HE   LYS  33          2HE       LYS  33  -7.985   2.791  12.845
  246   1HZ   LYS  33          1HZ       LYS  33  -7.903   2.297   9.981
  247   2HZ   LYS  33          2HZ       LYS  33  -7.933   1.020  10.998
  248   3HZ   LYS  33          3HZ       LYS  33  -9.145   2.115  11.025
  249    H    CYS  34           H        CYS  34  -2.425   7.321  12.888
  250    HA   CYS  34           HA       CYS  34  -0.606   6.999  10.749
  251   1HB   CYS  34          1HB       CYS  34  -0.485   8.825  12.405
  252   2HB   CYS  34          2HB       CYS  34  -0.083   7.664  13.654
  253    H    ASP  35           H        ASP  35  -2.025   4.813  12.889
  254    HA   ASP  35           HA       ASP  35   0.361   3.136  12.861
  255   1HB   ASP  35          1HB       ASP  35  -0.563   1.978  14.810
  256   2HB   ASP  35          2HB       ASP  35  -0.508   3.699  15.136
  257    H    ASP  36           H        ASP  36  -2.132   3.722  10.956
  258    HA   ASP  36           HA       ASP  36  -3.463   1.204  10.966
  259   1HB   ASP  36          1HB       ASP  36  -4.878   2.923  10.239
  260   2HB   ASP  36          2HB       ASP  36  -3.597   3.762   9.387
  261    H    CYS  37           H        CYS  37  -0.769   2.854   9.325
  262    HA   CYS  37           HA       CYS  37  -0.536   0.600   7.473
  263   1HB   CYS  37          1HB       CYS  37   0.764   3.336   7.269
  264   2HB   CYS  37          2HB       CYS  37   0.850   2.050   6.082
  265    H    HIS  38           H        HIS  38   1.048   2.682   9.845
  266    HA   HIS  38           HA       HIS  38   3.489   0.984   9.868
  267   1HB   HIS  38          1HB       HIS  38   2.765   3.651  11.200
  268   2HB   HIS  38          2HB       HIS  38   4.347   2.785  11.409
  269    HD1  HIS  38           HD1      HIS  38   5.649   2.413   9.076
  270    HD2  HIS  38           HD2      HIS  38   2.775   5.447   9.149
  271    HE1  HIS  38           HE1      HIS  38   6.196   3.969   7.095
  272    H    HIS  39           H        HIS  39   2.873  -0.877  10.805
  273    HA   HIS  39           HA       HIS  39   1.680  -0.761  13.547
  274   1HB   HIS  39          1HB       HIS  39   0.794  -2.909  13.176
  275   2HB   HIS  39          2HB       HIS  39   0.544  -2.009  11.619
  276    HD1  HIS  39           HD1      HIS  39   2.337  -4.885  13.131
  277    HD2  HIS  39           HD2      HIS  39   1.982  -3.032   9.401
  278    HE1  HIS  39           HE1      HIS  39   3.358  -6.517  11.417
  279    H    GLN  40           H        GLN  40   4.523  -0.117  12.926
  280    HA   GLN  40           HA       GLN  40   5.890  -2.453  13.925
  281   1HB   GLN  40          1HB       GLN  40   6.617  -0.051  12.403
  282   2HB   GLN  40          2HB       GLN  40   7.737  -0.335  13.720
  283   1HG   GLN  40          1HG       GLN  40   8.604  -1.574  11.857
  284   2HG   GLN  40          2HG       GLN  40   7.902  -2.769  12.930
  285   2HE2  GLN  40          1HE2      GLN  40   6.754  -0.526  10.404
  286   1HE2  GLN  40          2HE2      GLN  40   5.818  -1.672   9.504
  287    HA   PRO  41           HA       PRO  41   5.907  -0.836  18.043
  288   1HB   PRO  41          1HB       PRO  41   7.321  -2.755  19.262
  289   2HB   PRO  41          2HB       PRO  41   5.797  -3.180  18.417
  290   1HG   PRO  41          1HG       PRO  41   8.615  -3.249  17.332
  291   2HG   PRO  41          2HG       PRO  41   7.524  -4.667  17.203
  292   1HD   PRO  41          1HD       PRO  41   7.854  -2.918  15.132
  293   2HD   PRO  41          2HD       PRO  41   6.244  -3.611  15.495
  294    H    GLY  42           H        GLY  42   7.419   0.172  19.609
  295   1HA   GLY  42          2HA       GLY  42  10.220   0.244  19.025
  296   2HA   GLY  42          1HA       GLY  42   9.354   1.159  20.243
  297    H    ASP  43           H        ASP  43  11.420   2.323  18.683
  298    HA   ASP  43           HA       ASP  43   9.891   4.426  17.488
  299   1HB   ASP  43          1HB       ASP  43  12.845   4.535  17.258
  300   2HB   ASP  43          2HB       ASP  43  11.736   5.731  17.897
  301    H    LYS  44           H        LYS  44  10.546   1.505  16.355
  302    HA   LYS  44           HA       LYS  44  11.874   2.286  13.881
  303   1HB   LYS  44          1HB       LYS  44  11.089  -0.447  14.937
  304   2HB   LYS  44          2HB       LYS  44  11.973  -0.142  13.456
  305   1HG   LYS  44          1HG       LYS  44  12.999   1.000  16.071
  306   2HG   LYS  44          2HG       LYS  44  13.288  -0.687  15.692
  307   1HD   LYS  44          1HD       LYS  44  14.109   1.707  13.980
  308   2HD   LYS  44          2HD       LYS  44  15.185   0.700  14.929
  309   1HE   LYS  44          1HE       LYS  44  13.766  -1.141  13.324
  310   2HE   LYS  44          2HE       LYS  44  14.061   0.214  12.254
  311   1HZ   LYS  44          1HZ       LYS  44  16.401   0.108  12.968
  312   2HZ   LYS  44          2HZ       LYS  44  16.076  -1.262  13.796
  313   3HZ   LYS  44          3HZ       LYS  44  15.907  -1.230  12.172
  314    H    GLN  45           H        GLN  45   8.981   2.945  14.909
  315    HA   GLN  45           HA       GLN  45   7.154   1.554  13.454
  316   1HB   GLN  45          1HB       GLN  45   6.744   3.360  15.200
  317   2HB   GLN  45          2HB       GLN  45   7.076   4.558  13.965
  318   1HG   GLN  45          1HG       GLN  45   5.100   4.134  12.811
  319   2HG   GLN  45          2HG       GLN  45   5.074   2.439  13.252
  320   2HE2  GLN  45          1HE2      GLN  45   3.315   5.023  13.518
  321   1HE2  GLN  45          2HE2      GLN  45   2.641   4.896  15.108
  322    H    TYR  46           H        TYR  46   9.642   3.675  12.398
  323    HA   TYR  46           HA       TYR  46   8.397   3.994   9.718
  324   1HB   TYR  46          1HB       TYR  46  10.940   5.330  10.088
  325   2HB   TYR  46          2HB       TYR  46   9.357   6.011   9.677
  326    HD1  TYR  46           HD1      TYR  46   7.807   6.750  11.465
  327    HD2  TYR  46           HD2      TYR  46  11.790   5.396  12.334
  328    HE1  TYR  46           HE1      TYR  46   7.667   7.784  13.715
  329    HE2  TYR  46           HE2      TYR  46  11.650   6.430  14.584
  330    HH   TYR  46           HH       TYR  46   9.948   8.626  15.563
  331    H    ALA  47           H        ALA  47   9.768   1.476  10.972
  332    HA   ALA  47           HA       ALA  47  12.179   1.278   9.423
  333   1HB   ALA  47          3HB       ALA  47  12.208   0.145  11.501
  334   2HB   ALA  47          2HB       ALA  47  11.987  -1.149  10.298
  335   3HB   ALA  47          1HB       ALA  47  10.595  -0.560  11.238
  336    H    GLY  48           H        GLY  48  12.504   0.007   7.550
  337   1HA   GLY  48          2HA       GLY  48  11.952  -1.115   5.671
  338   2HA   GLY  48          1HA       GLY  48  10.636   0.039   5.582
  339    H    CYS  49           H        CYS  49   9.243  -1.563   4.594
  340    HA   CYS  49           HA       CYS  49   7.947  -3.192   6.588
  341   1HB   CYS  49          1HB       CYS  49   7.149  -2.982   3.693
  342   2HB   CYS  49          2HB       CYS  49   6.158  -3.400   5.076
  343    H    THR  50           H        THR  50   9.877  -3.452   3.562
  344    HA   THR  50           HA       THR  50   9.670  -6.343   3.567
  345    HB   THR  50           HB       THR  50  10.965  -6.100   1.466
  346    HG1  THR  50           HG1      THR  50  12.240  -4.293   1.385
  347   1HG2  THR  50          1HG2      THR  50   8.424  -4.963   1.854
  348   2HG2  THR  50          2HG2      THR  50   9.359  -3.644   1.111
  349   3HG2  THR  50          3HG2      THR  50   9.214  -5.210   0.278
  350    H    THR  51           H        THR  51  10.668  -5.468   6.018
  351    HA   THR  51           HA       THR  51  13.562  -5.810   5.820
  352    HB   THR  51           HB       THR  51  12.016  -5.414   8.394
  353    HG1  THR  51           HG1      THR  51  11.482  -3.347   7.686
  354   1HG2  THR  51          1HG2      THR  51  14.731  -4.851   7.289
  355   2HG2  THR  51          2HG2      THR  51  14.013  -3.504   8.205
  356   3HG2  THR  51          3HG2      THR  51  14.228  -5.093   8.979
  357    H    ASP  52           H        ASP  52  14.689  -7.378   7.179
  358    HA   ASP  52           HA       ASP  52  14.084  -9.878   6.695
  359   1HB   ASP  52          1HB       ASP  52  16.110  -9.032   7.933
  360   2HB   ASP  52          2HB       ASP  52  15.142  -8.892   9.387
  361    H    GLY  53           H        GLY  53  12.565 -11.438   7.381
  362   1HA   GLY  53          2HA       GLY  53  11.350 -11.526   9.895
  363   2HA   GLY  53          1HA       GLY  53  10.801 -12.337   8.442
  364    H    CYS  54           H        CYS  54  10.131 -10.259   6.711
  365    HA   CYS  54           HA       CYS  54   7.781  -9.252   8.052
  366   1HB   CYS  54          1HB       CYS  54   9.579  -7.297   6.593
  367   2HB   CYS  54          2HB       CYS  54   8.102  -6.945   7.469
  368    H    HIS  55           H        HIS  55   7.979  -7.338   5.534
  369    HA   HIS  55           HA       HIS  55   6.776  -9.314   3.643
  370   1HB   HIS  55          1HB       HIS  55   6.598  -6.262   3.527
  371   2HB   HIS  55          2HB       HIS  55   5.546  -7.497   2.712
  372    HD1  HIS  55           HD1      HIS  55   3.806  -8.667   4.178
  373    HD2  HIS  55           HD2      HIS  55   5.824  -5.562   6.116
  374    HE1  HIS  55           HE1      HIS  55   2.425  -8.117   6.284
  375    H    ASN  56           H        ASN  56   9.263  -9.896   3.429
  376    HA   ASN  56           HA       ASN  56  10.589  -8.047   1.662
  377   1HB   ASN  56          1HB       ASN  56  11.651  -9.500   3.626
  378   2HB   ASN  56          2HB       ASN  56  11.653 -10.789   2.438
  379   2HD2  ASN  56          1HD2      ASN  56  13.971  -9.842   3.538
  380   1HD2  ASN  56          2HD2      ASN  56  14.926  -9.016   2.353
  381    H    ILE  57           H        ILE  57   9.142 -11.348   1.803
  382    HA   ILE  57           HA       ILE  57   9.951 -12.421  -0.553
  383    HB   ILE  57           HB       ILE  57   7.300 -12.570   0.872
  384   1HG1  ILE  57          1HG1      ILE  57   9.914 -13.744   1.276
  385   2HG1  ILE  57          2HG1      ILE  57   8.497 -13.782   2.307
  386   1HG2  ILE  57          1HG2      ILE  57   8.273 -14.226  -1.472
  387   2HG2  ILE  57          2HG2      ILE  57   6.868 -14.618  -0.452
  388   3HG2  ILE  57          3HG2      ILE  57   6.868 -13.134  -1.436
  389   1HD1  ILE  57          1HD1      ILE  57   8.892 -15.595  -0.118
  390   2HD1  ILE  57          2HD1      ILE  57   9.237 -16.067   1.564
  391   3HD1  ILE  57          3HD1      ILE  57   7.569 -15.686   1.070
  392    H    LEU  58           H        LEU  58   9.990 -11.653  -2.589
  393    HA   LEU  58           HA       LEU  58   7.893  -9.736  -3.316
  394   1HB   LEU  58          1HB       LEU  58  10.558 -10.171  -4.660
  395   2HB   LEU  58          2HB       LEU  58   9.412  -8.879  -4.955
  396    HG   LEU  58           HG       LEU  58  11.135  -9.298  -2.507
  397   1HD1  LEU  58          1HD1      LEU  58  11.512  -7.874  -4.916
  398   2HD1  LEU  58          2HD1      LEU  58  11.213  -6.662  -3.647
  399   3HD1  LEU  58          3HD1      LEU  58  12.523  -7.851  -3.451
  400   1HD2  LEU  58          1HD2      LEU  58   8.780  -8.608  -1.919
  401   2HD2  LEU  58          2HD2      LEU  58  10.066  -7.491  -1.402
  402   3HD2  LEU  58          3HD2      LEU  58   9.076  -7.108  -2.831
  403    H    ASP  59           H        ASP  59   7.141 -12.430  -3.191
  404    HA   ASP  59           HA       ASP  59   6.643 -12.854  -5.997
  405   1HB   ASP  59          1HB       ASP  59   8.670 -14.267  -5.187
  406   2HB   ASP  59          2HB       ASP  59   7.521 -15.162  -4.212
  407    H    LYS  60           H        LYS  60   4.460 -13.446  -6.241
  408    HA   LYS  60           HA       LYS  60   2.888 -13.693  -3.863
  409   1HB   LYS  60          1HB       LYS  60   1.098 -13.228  -5.202
  410   2HB   LYS  60          2HB       LYS  60   2.374 -12.518  -6.169
  411   1HG   LYS  60          1HG       LYS  60   2.518 -14.573  -7.549
  412   2HG   LYS  60          2HG       LYS  60   1.317 -15.360  -6.543
  413   1HD   LYS  60          1HD       LYS  60  -0.264 -13.394  -7.155
  414   2HD   LYS  60          2HD       LYS  60   0.915 -12.961  -8.377
  415   1HE   LYS  60          1HE       LYS  60   0.048 -15.839  -8.303
  416   2HE   LYS  60          2HE       LYS  60  -1.137 -14.675  -8.861
  417   1HZ   LYS  60          1HZ       LYS  60   1.309 -14.087 -10.045
  418   2HZ   LYS  60          2HZ       LYS  60   1.023 -15.682 -10.252
  419   3HZ   LYS  60          3HZ       LYS  60  -0.071 -14.583 -10.765
  420    H    ALA  61           H        ALA  61   4.667 -15.835  -5.893
  421    HA   ALA  61           HA       ALA  61   3.043 -18.082  -5.906
  422   1HB   ALA  61          2HB       ALA  61   5.999 -18.387  -5.549
  423   2HB   ALA  61          3HB       ALA  61   4.910 -19.131  -6.744
  424   3HB   ALA  61          1HB       ALA  61   5.437 -17.443  -6.949
  425    H    ASP  62           H        ASP  62   4.567 -16.404  -3.277
  426    HA   ASP  62           HA       ASP  62   4.198 -18.774  -1.619
  427   1HB   ASP  62          1HB       ASP  62   6.300 -16.737  -1.771
  428   2HB   ASP  62          2HB       ASP  62   5.623 -16.797  -0.156
  429    H    LYS  63           H        LYS  63   2.336 -18.610  -0.362
  430    HA   LYS  63           HA       LYS  63   0.882 -16.213  -0.185
  431   1HB   LYS  63          1HB       LYS  63   0.586 -18.681   1.546
  432   2HB   LYS  63          2HB       LYS  63  -0.632 -17.469   1.204
  433   1HG   LYS  63          1HG       LYS  63   0.306 -18.358  -1.340
  434   2HG   LYS  63          2HG       LYS  63   0.118 -19.806  -0.371
  435   1HD   LYS  63          1HD       LYS  63  -2.188 -18.365   0.262
  436   2HD   LYS  63          2HD       LYS  63  -1.951 -17.965  -1.427
  437   1HE   LYS  63          1HE       LYS  63  -2.958 -19.952  -1.900
  438   2HE   LYS  63          2HE       LYS  63  -1.463 -20.714  -1.397
  439   1HZ   LYS  63          1HZ       LYS  63  -3.708 -20.089   0.393
  440   2HZ   LYS  63          2HZ       LYS  63  -3.366 -21.568  -0.209
  441   3HZ   LYS  63          3HZ       LYS  63  -2.329 -20.849   0.826
  442    H    SER  64           H        SER  64   0.376 -16.951   2.860
  443    HA   SER  64           HA       SER  64   1.008 -16.225   4.808
  444   1HB   SER  64          1HB       SER  64   3.187 -17.361   4.330
  445   2HB   SER  64          2HB       SER  64   3.796 -15.881   3.617
  446    HG   SER  64           HG       SER  64   4.487 -15.545   5.635
  447    H    VAL  65           H        VAL  65   1.756 -14.150   6.004
  448    HA   VAL  65           HA       VAL  65   1.039 -11.894   4.315
  449    HB   VAL  65           HB       VAL  65   1.281 -12.265   7.305
  450   1HG1  VAL  65          1HG1      VAL  65   1.216  -9.831   5.703
  451   2HG1  VAL  65          2HG1      VAL  65  -0.167  -9.928   6.820
  452   3HG1  VAL  65          3HG1      VAL  65   1.495 -10.043   7.448
  453   1HG2  VAL  65          1HG2      VAL  65  -1.074 -12.072   5.409
  454   2HG2  VAL  65          2HG2      VAL  65  -0.648 -13.406   6.508
  455   3HG2  VAL  65          3HG2      VAL  65  -1.223 -11.857   7.170
  456    H    ASN  66           H        ASN  66   3.621 -13.146   3.869
  457    HA   ASN  66           HA       ASN  66   5.343 -11.059   4.954
  458   1HB   ASN  66          1HB       ASN  66   5.734 -13.981   4.407
  459   2HB   ASN  66          2HB       ASN  66   7.084 -12.959   3.956
  460   2HD2  ASN  66          1HD2      ASN  66   4.706 -13.217   6.601
  461   1HD2  ASN  66          2HD2      ASN  66   5.820 -13.041   7.915
  462    H    SER  67           H        SER  67   3.499 -11.665   2.344
  463    HA   SER  67           HA       SER  67   5.557 -11.235   0.356
  464   1HB   SER  67          1HB       SER  67   2.766 -12.278   0.360
  465   2HB   SER  67          2HB       SER  67   3.185 -11.311  -1.040
  466    HG   SER  67           HG       SER  67   3.693 -13.529  -1.424
  467    H    TRP  68           H        TRP  68   6.124  -9.111   0.038
  468    HA   TRP  68           HA       TRP  68   4.808  -6.918   0.950
  469   1HB   TRP  68          1HB       TRP  68   7.043  -6.745   0.193
  470   2HB   TRP  68          2HB       TRP  68   6.631  -7.290  -1.421
  471    HD1  TRP  68           HD1      TRP  68   6.638  -5.298  -3.095
  472    HE1  TRP  68           HE1      TRP  68   6.102  -2.714  -3.113
  473    HE3  TRP  68           HE3      TRP  68   5.289  -5.009   1.799
  474    HZ2  TRP  68           HZ2      TRP  68   5.195  -0.880  -1.123
  475    HZ3  TRP  68           HZ3      TRP  68   4.592  -2.784   2.682
  476    HH2  TRP  68           HH2      TRP  68   4.531  -0.765   1.307
  477    H    TYR  69           H        TYR  69   4.337  -8.798  -2.010
  478    HA   TYR  69           HA       TYR  69   2.243  -6.967  -2.978
  479   1HB   TYR  69          1HB       TYR  69   3.757  -7.823  -4.630
  480   2HB   TYR  69          2HB       TYR  69   3.530  -9.486  -4.065
  481    HD1  TYR  69           HD1      TYR  69   1.758  -6.615  -5.671
  482    HD2  TYR  69           HD2      TYR  69   1.842 -10.853  -4.972
  483    HE1  TYR  69           HE1      TYR  69  -0.078  -6.922  -7.310
  484    HE2  TYR  69           HE2      TYR  69   0.007 -11.160  -6.611
  485    HH   TYR  69           HH       TYR  69  -0.973  -9.906  -8.623
  486    H    LYS  70           H        LYS  70   1.313  -7.788  -0.571
  487    HA   LYS  70           HA       LYS  70  -0.779  -9.638  -1.374
  488   1HB   LYS  70          1HB       LYS  70   1.168 -10.897  -0.254
  489   2HB   LYS  70          2HB       LYS  70   0.688 -10.091   1.226
  490   1HG   LYS  70          1HG       LYS  70  -0.662 -11.954   1.428
  491   2HG   LYS  70          2HG       LYS  70  -1.754 -10.968   0.477
  492   1HD   LYS  70          1HD       LYS  70  -1.441 -12.218  -1.452
  493   2HD   LYS  70          2HD       LYS  70   0.234 -12.579  -1.082
  494   1HE   LYS  70          1HE       LYS  70  -2.153 -13.819   0.371
  495   2HE   LYS  70          2HE       LYS  70  -1.288 -14.593  -0.942
  496   1HZ   LYS  70          1HZ       LYS  70   0.738 -14.321   0.443
  497   2HZ   LYS  70          2HZ       LYS  70  -0.214 -13.857   1.686
  498   3HZ   LYS  70          3HZ       LYS  70  -0.367 -15.356   1.055
  499    H    VAL  71           H        VAL  71   0.558  -7.750   1.432
  500    HA   VAL  71           HA       VAL  71  -2.061  -7.122   2.353
  501    HB   VAL  71           HB       VAL  71  -1.005  -6.167   4.138
  502   1HG1  VAL  71          1HG1      VAL  71  -0.032  -8.557   3.352
  503   2HG1  VAL  71          2HG1      VAL  71   1.482  -7.624   3.406
  504   3HG1  VAL  71          3HG1      VAL  71   0.461  -7.748   4.859
  505   1HG2  VAL  71          1HG2      VAL  71   0.926  -5.149   2.113
  506   2HG2  VAL  71          2HG2      VAL  71   0.158  -4.321   3.490
  507   3HG2  VAL  71          3HG2      VAL  71   1.547  -5.400   3.762
  508    H    VAL  72           H        VAL  72  -0.380  -6.146  -0.363
  509    HA   VAL  72           HA       VAL  72  -1.264  -3.373  -0.198
  510    HB   VAL  72           HB       VAL  72   0.560  -4.937  -2.007
  511   1HG1  VAL  72          1HG1      VAL  72  -0.882  -2.379  -2.587
  512   2HG1  VAL  72          2HG1      VAL  72   0.818  -2.524  -3.094
  513   3HG1  VAL  72          3HG1      VAL  72  -0.389  -3.691  -3.684
  514   1HG2  VAL  72          1HG2      VAL  72   1.297  -3.894   0.219
  515   2HG2  VAL  72          2HG2      VAL  72   2.259  -3.500  -1.226
  516   3HG2  VAL  72          3HG2      VAL  72   1.090  -2.320  -0.587
  517    H    HIS  73           H        HIS  73  -1.779  -6.418  -1.877
  518    HA   HIS  73           HA       HIS  73  -4.138  -5.222  -3.289
  519   1HB   HIS  73          1HB       HIS  73  -2.452  -7.682  -4.015
  520   2HB   HIS  73          2HB       HIS  73  -3.855  -7.014  -4.955
  521    HD1  HIS  73           HD1      HIS  73  -0.261  -6.429  -4.163
  522    HD2  HIS  73           HD2      HIS  73  -3.257  -4.789  -6.572
  523    HE1  HIS  73           HE1      HIS  73   0.924  -4.814  -5.784
  524    H    ASP  74           H        ASP  74  -3.700  -6.469  -0.429
  525    HA   ASP  74           HA       ASP  74  -5.280  -8.822  -0.565
  526   1HB   ASP  74          1HB       ASP  74  -3.830  -7.249   1.482
  527   2HB   ASP  74          2HB       ASP  74  -5.327  -7.928   2.090
  528    H    ALA  75           H        ALA  75  -7.106  -7.628  -1.786
  529    HA   ALA  75           HA       ALA  75  -8.542  -5.546  -0.630
  530   1HB   ALA  75          2HB       ALA  75  -9.758  -7.714  -2.359
  531   2HB   ALA  75          1HB       ALA  75  -8.583  -6.552  -3.022
  532   3HB   ALA  75          3HB       ALA  75 -10.119  -5.971  -2.334
  533    H    LYS  76           H        LYS  76  -8.370  -8.984   0.104
  534    HA   LYS  76           HA       LYS  76 -10.875  -9.301   1.287
  535   1HB   LYS  76          1HB       LYS  76  -9.521 -11.196   0.680
  536   2HB   LYS  76          2HB       LYS  76  -8.223 -10.691   1.743
  537   1HG   LYS  76          1HG       LYS  76 -10.181 -10.782   3.593
  538   2HG   LYS  76          2HG       LYS  76 -10.894 -11.899   2.447
  539   1HD   LYS  76          1HD       LYS  76  -9.568 -13.230   3.958
  540   2HD   LYS  76          2HD       LYS  76  -8.693 -13.186   2.440
  541   1HE   LYS  76          1HE       LYS  76  -6.897 -12.472   3.643
  542   2HE   LYS  76          2HE       LYS  76  -7.714 -10.927   3.763
  543   1HZ   LYS  76          1HZ       LYS  76  -8.793 -12.631   5.668
  544   2HZ   LYS  76          2HZ       LYS  76  -7.168 -12.718   5.797
  545   3HZ   LYS  76          3HZ       LYS  76  -7.920 -11.273   5.910
  546    H    GLY  77           H        GLY  77  -7.694  -8.219   2.623
  547   1HA   GLY  77          2HA       GLY  77  -9.099  -6.729   4.679
  548   2HA   GLY  77          1HA       GLY  77  -7.386  -6.700   4.311
  549    H    GLY  78           H        GLY  78  -6.396  -7.183   6.250
  550   1HA   GLY  78          2HA       GLY  78  -5.555  -9.132   7.427
  551   2HA   GLY  78          1HA       GLY  78  -7.198  -9.733   7.521
  552    H    ALA  79           H        ALA  79  -5.131  -8.958   9.651
  553    HA   ALA  79           HA       ALA  79  -6.917  -7.941  11.522
  554   1HB   ALA  79          3HB       ALA  79  -5.257  -8.677  12.841
  555   2HB   ALA  79          2HB       ALA  79  -4.196  -7.370  12.264
  556   3HB   ALA  79          1HB       ALA  79  -4.239  -8.927  11.403
  557    H    LYS  80           H        LYS  80  -5.160  -6.379   8.974
  558    HA   LYS  80           HA       LYS  80  -6.089  -3.818   9.972
  559   1HB   LYS  80          1HB       LYS  80  -3.375  -4.612  10.249
  560   2HB   LYS  80          2HB       LYS  80  -3.426  -3.440   8.948
  561   1HG   LYS  80          1HG       LYS  80  -4.109  -1.715  10.331
  562   2HG   LYS  80          2HG       LYS  80  -5.091  -2.761  11.337
  563   1HD   LYS  80          1HD       LYS  80  -2.330  -3.552  11.661
  564   2HD   LYS  80          2HD       LYS  80  -2.416  -1.810  11.832
  565   1HE   LYS  80          1HE       LYS  80  -4.375  -3.633  13.283
  566   2HE   LYS  80          2HE       LYS  80  -2.802  -3.267  13.964
  567   1HZ   LYS  80          1HZ       LYS  80  -4.619  -1.148  13.078
  568   2HZ   LYS  80          2HZ       LYS  80  -4.685  -1.766  14.589
  569   3HZ   LYS  80          3HZ       LYS  80  -3.329  -1.018  14.071
  570    HA   PRO  81           HA       PRO  81  -7.396  -3.209   5.872
  571   1HB   PRO  81          1HB       PRO  81  -6.745  -0.480   5.635
  572   2HB   PRO  81          2HB       PRO  81  -8.203  -1.141   6.444
  573   1HG   PRO  81          1HG       PRO  81  -5.615  -0.197   7.847
  574   2HG   PRO  81          2HG       PRO  81  -7.364   0.036   8.169
  575   1HD   PRO  81          1HD       PRO  81  -5.863  -1.926   9.397
  576   2HD   PRO  81          2HD       PRO  81  -7.583  -2.179   8.970
  577    H    THR  82           H        THR  82  -6.537  -2.818   3.662
  578    HA   THR  82           HA       THR  82  -3.593  -2.889   3.662
  579    HB   THR  82           HB       THR  82  -4.102  -4.034   1.358
  580    HG1  THR  82           HG1      THR  82  -6.284  -4.399   1.057
  581   1HG2  THR  82          1HG2      THR  82  -4.431  -5.138   4.111
  582   2HG2  THR  82          2HG2      THR  82  -5.225  -6.090   2.833
  583   3HG2  THR  82          3HG2      THR  82  -3.476  -5.769   2.749
  584    H    CYS  83           H        CYS  83  -5.292  -2.483   0.654
  585    HA   CYS  83           HA       CYS  83  -4.914   0.395   0.773
  586   1HB   CYS  83          1HB       CYS  83  -3.693  -1.308  -1.408
  587   2HB   CYS  83          2HB       CYS  83  -3.693   0.443  -1.336
  588    H    ILE  84           H        ILE  84  -5.914  -2.549  -1.090
  589    HA   ILE  84           HA       ILE  84  -7.808  -1.023  -2.626
  590    HB   ILE  84           HB       ILE  84  -6.655  -3.722  -2.640
  591   1HG1  ILE  84          1HG1      ILE  84  -7.567  -1.704  -4.696
  592   2HG1  ILE  84          2HG1      ILE  84  -5.928  -2.163  -4.279
  593   1HG2  ILE  84          1HG2      ILE  84  -8.978  -4.334  -2.210
  594   2HG2  ILE  84          2HG2      ILE  84  -9.511  -3.311  -3.566
  595   3HG2  ILE  84          3HG2      ILE  84  -8.505  -4.746  -3.876
  596   1HD1  ILE  84          1HD1      ILE  84  -6.639  -4.578  -5.018
  597   2HD1  ILE  84          2HD1      ILE  84  -7.998  -3.755  -5.818
  598   3HD1  ILE  84          3HD1      ILE  84  -6.325  -3.360  -6.277
  599    H    SER  85           H        SER  85  -7.685  -2.801   0.398
  600    HA   SER  85           HA       SER  85 -10.376  -3.485   0.532
  601   1HB   SER  85          1HB       SER  85  -9.950  -3.722   2.977
  602   2HB   SER  85          2HB       SER  85  -8.711  -4.497   2.009
  603    HG   SER  85           HG       SER  85  -8.442  -2.500   3.860
  604    H    CYS  86           H        CYS  86  -8.764  -1.013   2.650
  605    HA   CYS  86           HA       CYS  86 -10.912   0.314   3.484
  606   1HB   CYS  86          1HB       CYS  86  -8.648   0.849   4.220
  607   2HB   CYS  86          2HB       CYS  86  -8.262   1.544   2.658
  608    H    HIS  87           H        HIS  87  -9.107   0.908   0.469
  609    HA   HIS  87           HA       HIS  87 -10.623   3.029  -0.596
  610   1HB   HIS  87          1HB       HIS  87  -8.865   0.826  -1.708
  611   2HB   HIS  87          2HB       HIS  87  -9.823   1.854  -2.858
  612    HD1  HIS  87           HD1      HIS  87  -8.202   3.329  -3.849
  613    HD2  HIS  87           HD2      HIS  87  -7.630   3.078   0.284
  614    HE1  HIS  87           HE1      HIS  87  -6.346   5.023  -3.276
  615    H    LYS  88           H        LYS  88 -11.041  -0.551  -1.276
  616    HA   LYS  88           HA       LYS  88 -13.326  -0.256  -2.809
  617   1HB   LYS  88          1HB       LYS  88 -12.199  -2.314  -2.907
  618   2HB   LYS  88          2HB       LYS  88 -12.184  -2.509  -1.166
  619   1HG   LYS  88          1HG       LYS  88 -14.899  -2.266  -2.394
  620   2HG   LYS  88          2HG       LYS  88 -14.010  -3.710  -2.833
  621   1HD   LYS  88          1HD       LYS  88 -13.717  -3.228   0.024
  622   2HD   LYS  88          2HD       LYS  88 -15.418  -3.202  -0.398
  623   1HE   LYS  88          1HE       LYS  88 -14.988  -5.400  -1.699
  624   2HE   LYS  88          2HE       LYS  88 -13.421  -5.447  -0.916
  625   1HZ   LYS  88          1HZ       LYS  88 -14.701  -5.213   1.212
  626   2HZ   LYS  88          2HZ       LYS  88 -16.055  -5.539   0.358
  627   3HZ   LYS  88          3HZ       LYS  88 -14.855  -6.643   0.440
  628    H    ASP  89           H        ASP  89 -12.816  -0.045   0.679
  629    HA   ASP  89           HA       ASP  89 -15.616  -0.328   1.201
  630   1HB   ASP  89          1HB       ASP  89 -13.404  -0.845   2.695
  631   2HB   ASP  89          2HB       ASP  89 -13.713   0.790   3.244
  632    H    LYS  90           H        LYS  90 -13.917   2.003  -0.310
  633    HA   LYS  90           HA       LYS  90 -15.529   4.142   0.856
  634   1HB   LYS  90          1HB       LYS  90 -12.538   4.213   0.409
  635   2HB   LYS  90          2HB       LYS  90 -13.508   5.667   0.524
  636   1HG   LYS  90          1HG       LYS  90 -14.155   3.794   2.692
  637   2HG   LYS  90          2HG       LYS  90 -12.443   4.168   2.673
  638   1HD   LYS  90          1HD       LYS  90 -13.218   6.671   2.423
  639   2HD   LYS  90          2HD       LYS  90 -14.781   6.085   2.958
  640   1HE   LYS  90          1HE       LYS  90 -13.228   4.910   4.859
  641   2HE   LYS  90          2HE       LYS  90 -12.198   6.276   4.483
  642   1HZ   LYS  90          1HZ       LYS  90 -14.508   7.494   4.673
  643   2HZ   LYS  90          2HZ       LYS  90 -14.815   6.251   5.687
  644   3HZ   LYS  90          3HZ       LYS  90 -13.547   7.241   5.969
  645    H    ALA  91           H        ALA  91 -16.806   3.295  -1.080
  646    HA   ALA  91           HA       ALA  91 -16.543   5.100  -3.181
  647   1HB   ALA  91          1HB       ALA  91 -14.997   2.598  -3.443
  648   2HB   ALA  91          3HB       ALA  91 -14.875   4.119  -4.360
  649   3HB   ALA  91          2HB       ALA  91 -16.103   2.908  -4.802
  650    H    GLY  92           H        GLY  92 -17.467   1.665  -2.445
  651   1HA   GLY  92          2HA       GLY  92 -20.264   2.384  -2.862
  652   2HA   GLY  92          1HA       GLY  92 -19.632   0.914  -2.147
  653    H    ASP  93           H        ASP  93 -21.676   1.049  -4.216
  654    HA   ASP  93           HA       ASP  93 -20.519  -0.807  -5.989
  655   1HB   ASP  93          1HB       ASP  93 -22.873  -0.478  -7.133
  656   2HB   ASP  93          2HB       ASP  93 -22.777  -1.253  -5.564
  657    H    ASP  94           H        ASP  94 -20.898   2.658  -5.874
  658    HA   ASP  94           HA       ASP  94 -21.266   3.255  -8.532
  659   1HB   ASP  94          1HB       ASP  94 -20.060   4.640  -6.149
  660   2HB   ASP  94          2HB       ASP  94 -19.731   5.344  -7.720
  661    H    LYS  95           H        LYS  95 -19.883   1.688  -9.715
  662    HA   LYS  95           HA       LYS  95 -17.222   1.253  -9.335
  663   1HB   LYS  95          1HB       LYS  95 -17.170   0.454 -11.592
  664   2HB   LYS  95          2HB       LYS  95 -18.725   0.040 -10.899
  665   1HG   LYS  95          1HG       LYS  95 -19.376   2.460 -11.958
  666   2HG   LYS  95          2HG       LYS  95 -18.070   2.036 -13.047
  667   1HD   LYS  95          1HD       LYS  95 -19.241   0.288 -14.005
  668   2HD   LYS  95          2HD       LYS  95 -20.023  -0.159 -12.502
  669   1HE   LYS  95          1HE       LYS  95 -21.774   0.711 -13.888
  670   2HE   LYS  95          2HE       LYS  95 -21.437   1.978 -12.725
  671   1HZ   LYS  95          1HZ       LYS  95 -19.725   2.466 -14.764
  672   2HZ   LYS  95          2HZ       LYS  95 -21.090   2.002 -15.530
  673   3HZ   LYS  95          3HZ       LYS  95 -21.128   3.254 -14.482
  674    H    GLU  96           H        GLU  96 -18.827   4.173 -10.414
  675    HA   GLU  96           HA       GLU  96 -16.824   5.299 -11.910
  676   1HB   GLU  96          1HB       GLU  96 -19.000   6.457 -10.145
  677   2HB   GLU  96          2HB       GLU  96 -17.872   7.515 -10.970
  678   1HG   GLU  96          1HG       GLU  96 -18.577   6.781 -13.136
  679   2HG   GLU  96          2HG       GLU  96 -19.342   5.339 -12.499
  680    H    LEU  97           H        LEU  97 -17.206   4.970  -8.376
  681    HA   LEU  97           HA       LEU  97 -14.790   6.567  -7.987
  682   1HB   LEU  97          1HB       LEU  97 -17.214   6.446  -6.632
  683   2HB   LEU  97          2HB       LEU  97 -16.111   5.558  -5.599
  684    HG   LEU  97           HG       LEU  97 -15.438   8.308  -6.652
  685   1HD1  LEU  97          1HD1      LEU  97 -17.346   7.548  -4.521
  686   2HD1  LEU  97          2HD1      LEU  97 -16.166   8.812  -4.099
  687   3HD1  LEU  97          3HD1      LEU  97 -17.238   9.028  -5.503
  688   1HD2  LEU  97          1HD2      LEU  97 -14.368   6.539  -4.456
  689   2HD2  LEU  97          2HD2      LEU  97 -13.504   7.276  -5.828
  690   3HD2  LEU  97          3HD2      LEU  97 -14.074   8.294  -4.484
  691    H    LYS  98           H        LYS  98 -15.396   3.552  -8.954
  692    HA   LYS  98           HA       LYS  98 -13.591   2.280  -7.034
  693   1HB   LYS  98          1HB       LYS  98 -15.852   1.267  -7.579
  694   2HB   LYS  98          2HB       LYS  98 -15.248   0.955  -9.193
  695   1HG   LYS  98          1HG       LYS  98 -14.686  -1.055  -8.155
  696   2HG   LYS  98          2HG       LYS  98 -13.201  -0.159  -7.906
  697   1HD   LYS  98          1HD       LYS  98 -13.580  -0.893  -5.731
  698   2HD   LYS  98          2HD       LYS  98 -14.413   0.647  -5.669
  699   1HE   LYS  98          1HE       LYS  98 -16.254  -0.516  -5.009
  700   2HE   LYS  98          2HE       LYS  98 -16.385  -1.066  -6.668
  701   1HZ   LYS  98          1HZ       LYS  98 -14.514  -2.686  -5.587
  702   2HZ   LYS  98          2HZ       LYS  98 -15.589  -2.512  -4.369
  703   3HZ   LYS  98          3HZ       LYS  98 -16.084  -3.069  -5.822
  704    H    LYS  99           H        LYS  99 -13.968   3.359 -10.401
  705    HA   LYS  99           HA       LYS  99 -11.837   1.944 -11.501
  706   1HB   LYS  99          1HB       LYS  99 -13.360   4.427 -12.207
  707   2HB   LYS  99          2HB       LYS  99 -11.876   4.080 -13.072
  708   1HG   LYS  99          1HG       LYS  99 -12.702   2.013 -13.926
  709   2HG   LYS  99          2HG       LYS  99 -13.963   1.906 -12.714
  710   1HD   LYS  99          1HD       LYS  99 -14.966   2.542 -14.858
  711   2HD   LYS  99          2HD       LYS  99 -15.114   3.881 -13.737
  712   1HE   LYS  99          1HE       LYS  99 -14.224   5.111 -15.457
  713   2HE   LYS  99          2HE       LYS  99 -12.693   4.494 -14.868
  714   1HZ   LYS  99          1HZ       LYS  99 -14.292   3.064 -16.868
  715   2HZ   LYS  99          2HZ       LYS  99 -13.151   4.160 -17.273
  716   3HZ   LYS  99          3HZ       LYS  99 -12.731   2.803 -16.467
  717    H    LYS 100           H        LYS 100 -11.998   4.927  -9.544
  718    HA   LYS 100           HA       LYS 100  -9.067   5.053  -9.709
  719   1HB   LYS 100          1HB       LYS 100 -10.881   7.029 -10.338
  720   2HB   LYS 100          2HB       LYS 100 -10.482   7.420  -8.678
  721   1HG   LYS 100          1HG       LYS 100  -8.059   7.387  -9.222
  722   2HG   LYS 100          2HG       LYS 100  -8.415   6.908 -10.870
  723   1HD   LYS 100          1HD       LYS 100  -7.969   9.396 -10.556
  724   2HD   LYS 100          2HD       LYS 100  -9.474   9.018 -11.369
  725   1HE   LYS 100          1HE       LYS 100  -9.644   9.208  -8.387
  726   2HE   LYS 100          2HE       LYS 100  -9.283  10.710  -9.214
  727   1HZ   LYS 100          1HZ       LYS 100 -11.422   9.060 -10.270
  728   2HZ   LYS 100          2HZ       LYS 100 -11.711   9.903  -8.902
  729   3HZ   LYS 100          3HZ       LYS 100 -11.272  10.686 -10.267
  730    H    LEU 101           H        LEU 101  -8.729   3.449  -8.090
  731    HA   LEU 101           HA       LEU 101  -8.225   4.195  -5.617
  732   1HB   LEU 101          1HB       LEU 101 -11.147   4.016  -5.922
  733   2HB   LEU 101          2HB       LEU 101 -10.504   3.149  -4.542
  734    HG   LEU 101           HG       LEU 101 -11.064   5.911  -4.778
  735   1HD1  LEU 101          1HD1      LEU 101 -10.279   3.963  -2.729
  736   2HD1  LEU 101          2HD1      LEU 101  -9.783   5.633  -2.368
  737   3HD1  LEU 101          3HD1      LEU 101 -11.495   5.262  -2.682
  738   1HD2  LEU 101          1HD2      LEU 101  -8.744   6.035  -5.778
  739   2HD2  LEU 101          2HD2      LEU 101  -9.032   7.047  -4.342
  740   3HD2  LEU 101          3HD2      LEU 101  -8.124   5.523  -4.190
  741    H    THR 102           H        THR 102  -9.589   1.796  -7.801
  742    HA   THR 102           HA       THR 102  -7.967  -0.229  -6.443
  743    HB   THR 102           HB       THR 102  -9.823  -1.817  -6.501
  744    HG1  THR 102           HG1      THR 102 -10.810  -1.098  -8.473
  745   1HG2  THR 102          1HG2      THR 102  -9.931  -0.085  -4.613
  746   2HG2  THR 102          2HG2      THR 102 -11.044   0.853  -5.637
  747   3HG2  THR 102          3HG2      THR 102 -11.507  -0.771  -5.073
  748    H    GLY 103           H        GLY 103  -9.867   0.741  -9.353
  749   1HA   GLY 103          2HA       GLY 103  -9.240   0.630 -11.529
  750   2HA   GLY 103          1HA       GLY 103  -9.171  -1.087 -11.185
  751    H    CYS 104           H        CYS 104  -7.474  -1.106 -12.916
  752    HA   CYS 104           HA       CYS 104  -4.886  -0.481 -11.710
  753   1HB   CYS 104          1HB       CYS 104  -5.027  -2.230 -14.097
  754   2HB   CYS 104          2HB       CYS 104  -3.997  -2.323 -12.682
  755    H    LYS 105           H        LYS 105  -6.074  -0.971 -15.112
  756    HA   LYS 105           HA       LYS 105  -4.434   1.182 -16.022
  757   1HB   LYS 105          1HB       LYS 105  -4.643  -0.717 -17.439
  758   2HB   LYS 105          2HB       LYS 105  -6.393  -0.692 -17.358
  759   1HG   LYS 105          1HG       LYS 105  -6.152   1.740 -18.377
  760   2HG   LYS 105          2HG       LYS 105  -4.545   1.209 -18.831
  761   1HD   LYS 105          1HD       LYS 105  -7.216   0.043 -19.701
  762   2HD   LYS 105          2HD       LYS 105  -5.949   0.708 -20.713
  763   1HE   LYS 105          1HE       LYS 105  -4.436  -1.203 -19.870
  764   2HE   LYS 105          2HE       LYS 105  -5.868  -1.910 -19.149
  765   1HZ   LYS 105          1HZ       LYS 105  -6.861  -1.715 -21.433
  766   2HZ   LYS 105          2HZ       LYS 105  -5.354  -1.418 -21.988
  767   3HZ   LYS 105          3HZ       LYS 105  -5.688  -2.838 -21.252
  768    H    GLY 106           H        GLY 106  -5.092   3.116 -15.060
  769   1HA   GLY 106          2HA       GLY 106  -7.791   4.019 -15.867
  770   2HA   GLY 106          1HA       GLY 106  -6.374   5.044 -15.751
  771    H    SER 107           H        SER 107  -5.380   3.686 -13.246
  772    HA   SER 107           HA       SER 107  -7.287   4.970 -11.461
  773   1HB   SER 107          1HB       SER 107  -7.676   3.043 -10.356
  774   2HB   SER 107          2HB       SER 107  -6.735   2.187 -11.562
  775    HG   SER 107           HG       SER 107  -4.926   2.247 -10.278
  776    H    ALA 108           H        ALA 108  -6.257   5.703  -9.371
  777    HA   ALA 108           HA       ALA 108  -4.072   7.241  -9.722
  778   1HB   ALA 108          3HB       ALA 108  -4.071   7.508  -7.376
  779   2HB   ALA 108          1HB       ALA 108  -5.745   7.032  -7.751
  780   3HB   ALA 108          2HB       ALA 108  -4.604   5.834  -7.094
  781    H    CYS 109           H        CYS 109  -4.197   3.739  -9.261
  782    HA   CYS 109           HA       CYS 109  -1.274   3.730  -9.081
  783   1HB   CYS 109          1HB       CYS 109  -3.238   1.558  -8.276
  784   2HB   CYS 109          2HB       CYS 109  -1.493   1.438  -8.179
  785    H    HIS 110           H        HIS 110  -0.145   2.597 -10.604
  786    HA   HIS 110           HA       HIS 110   0.366   1.764 -12.677
  787   1HB   HIS 110          1HB       HIS 110  -2.209   0.136 -12.398
  788   2HB   HIS 110          2HB       HIS 110  -0.675  -0.297 -13.267
  789    HD1  HIS 110           HD1      HIS 110   1.304   0.248 -11.013
  790    HD2  HIS 110           HD2      HIS 110  -2.278  -1.844 -10.502
  791    HE1  HIS 110           HE1      HIS 110   1.638  -1.255  -8.946
  792    HA   PRO 111           HA       PRO 111  -2.677   4.487 -14.823
  793   1HB   PRO 111          1HB       PRO 111  -1.194   6.763 -14.994
  794   2HB   PRO 111          2HB       PRO 111  -2.069   6.318 -13.492
  795   1HG   PRO 111          1HG       PRO 111   0.639   5.872 -14.444
  796   2HG   PRO 111          2HG       PRO 111   0.487   6.457 -12.755
  797   1HD   PRO 111          1HD       PRO 111   1.021   3.843 -13.307
  798   2HD   PRO 111          2HD       PRO 111  -0.106   4.277 -11.986
  799    H    SER 112           H        SER 112  -2.713   4.600 -17.107
  800    HA   SER 112           HA       SER 112  -1.951   4.630 -19.161
  801   1HB   SER 112          1HB       SER 112   0.083   5.924 -18.097
  802   2HB   SER 112          2HB       SER 112   0.944   4.410 -18.291
  803    HG   SER 112           HG       SER 112   1.332   5.264 -20.245

  No H/Q in entry =         803
  Start of MODEL    3
    1    H1   VAL   1           H1       VAL   1   8.283  12.196  13.734
    2    H2   VAL   1           H2       VAL   1   9.130  10.787  13.935
    3    H3   VAL   1           H3       VAL   1   9.410  12.072  14.941
    4    HA   VAL   1           HA       VAL   1  10.741  13.086  13.595
    5    HB   VAL   1           HB       VAL   1  12.005  11.221  13.514
    6   1HG1  VAL   1          1HG1      VAL   1   9.566   9.816  12.416
    7   2HG1  VAL   1          2HG1      VAL   1  11.170   9.045  12.412
    8   3HG1  VAL   1          3HG1      VAL   1  10.424   9.539  13.951
    9   1HG2  VAL   1          1HG2      VAL   1  11.798  12.413  11.122
   10   2HG2  VAL   1          2HG2      VAL   1  12.861  11.014  11.408
   11   3HG2  VAL   1          3HG2      VAL   1  11.264  10.779  10.658
   12    H    ASP   2           H        ASP   2   9.020  14.576  12.837
   13    HA   ASP   2           HA       ASP   2   7.657  15.437  11.335
   14   1HB   ASP   2          1HB       ASP   2  10.210  15.734  10.584
   15   2HB   ASP   2          2HB       ASP   2   9.711  14.747   9.225
   16    H    VAL   3           H        VAL   3   7.657  14.930   8.382
   17    HA   VAL   3           HA       VAL   3   6.872  12.137   8.183
   18    HB   VAL   3           HB       VAL   3   4.944  13.804   8.865
   19   1HG1  VAL   3          1HG1      VAL   3   5.579  15.264   6.817
   20   2HG1  VAL   3          2HG1      VAL   3   4.709  14.036   5.866
   21   3HG1  VAL   3          3HG1      VAL   3   3.858  14.945   7.138
   22   1HG2  VAL   3          1HG2      VAL   3   4.838  11.335   8.247
   23   2HG2  VAL   3          2HG2      VAL   3   3.368  12.290   7.940
   24   3HG2  VAL   3          3HG2      VAL   3   4.450  11.863   6.593
   25    HA   PRO   4           HA       PRO   4   9.072  12.462   4.422
   26   1HB   PRO   4          1HB       PRO   4   7.714  10.437   3.055
   27   2HB   PRO   4          2HB       PRO   4   8.977  10.165   4.299
   28   1HG   PRO   4          1HG       PRO   4   6.262  10.363   4.399
   29   2HG   PRO   4          2HG       PRO   4   6.857   8.935   5.306
   30   1HD   PRO   4          1HD       PRO   4   6.213  10.882   6.839
   31   2HD   PRO   4          2HD       PRO   4   7.963  10.516   6.926
   32    H    ALA   5           H        ALA   5   8.806  13.961   2.764
   33    HA   ALA   5           HA       ALA   5   6.374  15.222   2.344
   34   1HB   ALA   5          3HB       ALA   5   7.512  16.363   0.578
   35   2HB   ALA   5          2HB       ALA   5   8.646  15.012   0.339
   36   3HB   ALA   5          1HB       ALA   5   8.747  16.008   1.810
   37    H    ASP   6           H        ASP   6   6.100  15.291  -0.517
   38    HA   ASP   6           HA       ASP   6   4.929  12.650  -0.865
   39   1HB   ASP   6          1HB       ASP   6   4.144  14.767  -2.778
   40   2HB   ASP   6          2HB       ASP   6   3.133  13.665  -1.865
   41    H    GLY   7           H        GLY   7   4.761  12.090  -3.395
   42   1HA   GLY   7          2HA       GLY   7   6.959  13.168  -4.974
   43   2HA   GLY   7          1HA       GLY   7   5.697  12.071  -5.500
   44    H    ALA   8           H        ALA   8   6.181  10.388  -2.932
   45    HA   ALA   8           HA       ALA   8   8.830   9.335  -3.460
   46   1HB   ALA   8          1HB       ALA   8   7.065   9.531  -1.222
   47   2HB   ALA   8          2HB       ALA   8   7.319   7.801  -1.553
   48   3HB   ALA   8          3HB       ALA   8   8.715   8.866  -1.268
   49    H    LYS   9           H        LYS   9   9.103   7.901  -5.091
   50    HA   LYS   9           HA       LYS   9   6.807   6.411  -6.023
   51   1HB   LYS   9          1HB       LYS   9   7.987   6.080  -7.972
   52   2HB   LYS   9          2HB       LYS   9   8.624   7.624  -7.444
   53   1HG   LYS   9          1HG       LYS   9   9.944   4.940  -6.824
   54   2HG   LYS   9          2HG       LYS   9  10.395   5.958  -8.177
   55   1HD   LYS   9          1HD       LYS   9  10.676   7.847  -6.350
   56   2HD   LYS   9          2HD       LYS   9  10.716   6.515  -5.212
   57   1HE   LYS   9          1HE       LYS   9  12.534   5.480  -6.796
   58   2HE   LYS   9          2HE       LYS   9  12.640   7.082  -7.498
   59   1HZ   LYS   9          1HZ       LYS   9  12.715   7.534  -4.839
   60   2HZ   LYS   9          2HZ       LYS   9  13.594   6.166  -4.994
   61   3HZ   LYS   9          3HZ       LYS   9  14.009   7.503  -5.834
   62    H    ILE  10           H        ILE  10   6.306   4.379  -5.396
   63    HA   ILE  10           HA       ILE  10   8.283   2.998  -3.754
   64    HB   ILE  10           HB       ILE  10   5.324   2.531  -4.140
   65   1HG1  ILE  10          1HG1      ILE  10   6.842   3.798  -1.840
   66   2HG1  ILE  10          2HG1      ILE  10   5.841   4.650  -2.998
   67   1HG2  ILE  10          1HG2      ILE  10   6.716   0.495  -3.589
   68   2HG2  ILE  10          2HG2      ILE  10   7.125   1.293  -2.052
   69   3HG2  ILE  10          3HG2      ILE  10   5.431   0.899  -2.426
   70   1HD1  ILE  10          1HD1      ILE  10   3.889   3.173  -2.289
   71   2HD1  ILE  10          2HD1      ILE  10   4.932   2.541  -0.992
   72   3HD1  ILE  10          3HD1      ILE  10   4.494   4.266  -1.022
   73    H    ASP  11           H        ASP  11   9.593   1.562  -4.734
   74    HA   ASP  11           HA       ASP  11   8.405  -0.279  -6.570
   75   1HB   ASP  11          1HB       ASP  11   9.067   1.520  -8.106
   76   2HB   ASP  11          2HB       ASP  11  10.660   1.611  -7.381
   77    H    PHE  12           H        PHE  12   9.077  -1.447  -4.459
   78    HA   PHE  12           HA       PHE  12  11.896  -1.686  -3.985
   79   1HB   PHE  12          1HB       PHE  12   9.305  -2.962  -2.947
   80   2HB   PHE  12          2HB       PHE  12  10.867  -3.504  -2.365
   81    HD1  PHE  12           HD1      PHE  12  12.407  -1.723  -1.311
   82    HD2  PHE  12           HD2      PHE  12   8.253  -1.135  -1.947
   83    HE1  PHE  12           HE1      PHE  12  12.403   0.108   0.406
   84    HE2  PHE  12           HE2      PHE  12   8.249   0.696  -0.230
   85    HZ   PHE  12           HZ       PHE  12  10.325   1.296   0.925
   86    H    ILE  13           H        ILE  13   9.649  -3.092  -6.165
   87    HA   ILE  13           HA       ILE  13  10.955  -5.674  -6.199
   88    HB   ILE  13           HB       ILE  13   8.542  -4.448  -7.442
   89   1HG1  ILE  13          1HG1      ILE  13   8.478  -7.242  -6.575
   90   2HG1  ILE  13          2HG1      ILE  13   9.029  -6.163  -5.309
   91   1HG2  ILE  13          1HG2      ILE  13  10.240  -6.550  -8.706
   92   2HG2  ILE  13          2HG2      ILE  13   8.473  -6.760  -8.746
   93   3HG2  ILE  13          3HG2      ILE  13   9.212  -5.300  -9.446
   94   1HD1  ILE  13          1HD1      ILE  13   6.607  -5.394  -6.953
   95   2HD1  ILE  13          2HD1      ILE  13   6.443  -6.574  -5.630
   96   3HD1  ILE  13          3HD1      ILE  13   7.027  -4.927  -5.287
   97    H    ALA  14           H        ALA  14  12.236  -6.473  -7.917
   98    HA   ALA  14           HA       ALA  14  13.405  -4.327  -9.535
   99   1HB   ALA  14          3HB       ALA  14  15.402  -5.570  -9.519
  100   2HB   ALA  14          2HB       ALA  14  14.566  -7.089  -9.117
  101   3HB   ALA  14          1HB       ALA  14  14.752  -5.822  -7.882
  102    H    GLY  15           H        GLY  15  11.127  -4.715 -10.682
  103   1HA   GLY  15          2HA       GLY  15   9.935  -5.641 -12.374
  104   2HA   GLY  15          1HA       GLY  15  10.961  -7.061 -12.326
  105    H    GLY  16           H        GLY  16  10.869  -6.956 -14.731
  106   1HA   GLY  16          2HA       GLY  16  11.802  -6.499 -16.722
  107   2HA   GLY  16          1HA       GLY  16  13.200  -5.910 -15.845
  108    H    GLU  17           H        GLU  17  11.994  -4.835 -18.338
  109    HA   GLU  17           HA       GLU  17  12.274  -2.179 -17.840
  110   1HB   GLU  17          1HB       GLU  17  12.458  -2.863 -20.091
  111   2HB   GLU  17          2HB       GLU  17  10.946  -3.749 -20.057
  112   1HG   GLU  17          1HG       GLU  17   9.661  -1.644 -19.950
  113   2HG   GLU  17          2HG       GLU  17  11.138  -0.709 -19.827
  114    H    LYS  18           H        LYS  18   9.562  -4.254 -17.147
  115    HA   LYS  18           HA       LYS  18   7.544  -2.268 -17.261
  116   1HB   LYS  18          1HB       LYS  18   7.722  -5.073 -16.843
  117   2HB   LYS  18          2HB       LYS  18   6.911  -4.404 -15.441
  118   1HG   LYS  18          1HG       LYS  18   5.039  -4.459 -16.751
  119   2HG   LYS  18          2HG       LYS  18   5.675  -2.984 -17.451
  120   1HD   LYS  18          1HD       LYS  18   6.857  -5.421 -18.646
  121   2HD   LYS  18          2HD       LYS  18   5.118  -5.346 -18.843
  122   1HE   LYS  18          1HE       LYS  18   5.200  -3.382 -20.129
  123   2HE   LYS  18          2HE       LYS  18   6.706  -2.844 -19.413
  124   1HZ   LYS  18          1HZ       LYS  18   6.525  -5.201 -21.152
  125   2HZ   LYS  18          2HZ       LYS  18   6.881  -3.706 -21.705
  126   3HZ   LYS  18          3HZ       LYS  18   7.883  -4.446 -20.648
  127    H    ASN  19           H        ASN  19   9.264  -0.713 -16.149
  128    HA   ASN  19           HA       ASN  19   9.685  -0.998 -13.426
  129   1HB   ASN  19          1HB       ASN  19  10.796   0.623 -15.160
  130   2HB   ASN  19          2HB       ASN  19   9.429   1.680 -14.872
  131   2HD2  ASN  19          1HD2      ASN  19  12.411   1.699 -14.241
  132   1HD2  ASN  19          2HD2      ASN  19  12.517   2.152 -12.573
  133    H    LEU  20           H        LEU  20   7.705  -1.448 -12.288
  134    HA   LEU  20           HA       LEU  20   5.489   0.390 -12.674
  135   1HB   LEU  20          1HB       LEU  20   5.829  -2.233 -11.238
  136   2HB   LEU  20          2HB       LEU  20   4.412  -1.228 -11.006
  137    HG   LEU  20           HG       LEU  20   5.338  -2.408 -13.641
  138   1HD1  LEU  20          1HD1      LEU  20   3.670  -3.438 -11.490
  139   2HD1  LEU  20          2HD1      LEU  20   2.805  -3.380 -13.045
  140   3HD1  LEU  20          3HD1      LEU  20   4.345  -4.262 -12.915
  141   1HD2  LEU  20          1HD2      LEU  20   3.387  -0.304 -12.995
  142   2HD2  LEU  20          2HD2      LEU  20   4.194  -0.700 -14.531
  143   3HD2  LEU  20          3HD2      LEU  20   2.751  -1.611 -14.023
  144    H    THR  21           H        THR  21   5.892   2.339 -11.700
  145    HA   THR  21           HA       THR  21   6.780   2.213  -8.893
  146    HB   THR  21           HB       THR  21   7.002   4.757 -10.455
  147    HG1  THR  21           HG1      THR  21   7.792   3.445 -12.103
  148   1HG2  THR  21          1HG2      THR  21   8.059   4.058  -8.107
  149   2HG2  THR  21          2HG2      THR  21   9.258   3.226  -9.126
  150   3HG2  THR  21          3HG2      THR  21   9.036   4.986  -9.271
  151    H    VAL  22           H        VAL  22   5.536   3.069  -7.308
  152    HA   VAL  22           HA       VAL  22   3.063   4.366  -8.229
  153    HB   VAL  22           HB       VAL  22   3.631   2.344  -6.091
  154   1HG1  VAL  22          1HG1      VAL  22   1.474   4.456  -6.050
  155   2HG1  VAL  22          2HG1      VAL  22   1.233   2.869  -5.281
  156   3HG1  VAL  22          3HG1      VAL  22   2.557   3.929  -4.739
  157   1HG2  VAL  22          1HG2      VAL  22   1.691   2.647  -8.378
  158   2HG2  VAL  22          2HG2      VAL  22   2.813   1.313  -8.016
  159   3HG2  VAL  22          3HG2      VAL  22   1.346   1.534  -7.033
  160    H    VAL  23           H        VAL  23   2.692   6.416  -7.517
  161    HA   VAL  23           HA       VAL  23   4.692   7.549  -5.751
  162    HB   VAL  23           HB       VAL  23   2.519   8.647  -7.523
  163   1HG1  VAL  23          1HG1      VAL  23   4.072  10.046  -5.351
  164   2HG1  VAL  23          2HG1      VAL  23   3.552  10.926  -6.808
  165   3HG1  VAL  23          3HG1      VAL  23   2.342  10.156  -5.754
  166   1HG2  VAL  23          1HG2      VAL  23   5.543   8.919  -7.498
  167   2HG2  VAL  23          2HG2      VAL  23   4.556   8.004  -8.663
  168   3HG2  VAL  23          3HG2      VAL  23   4.452   9.781  -8.610
  169    H    PHE  24           H        PHE  24   4.365   8.058  -3.627
  170    HA   PHE  24           HA       PHE  24   1.611   7.740  -2.655
  171   1HB   PHE  24          1HB       PHE  24   3.168   5.927  -1.926
  172   2HB   PHE  24          2HB       PHE  24   4.367   7.110  -1.444
  173    HD1  PHE  24           HD1      PHE  24   0.705   7.052  -0.758
  174    HD2  PHE  24           HD2      PHE  24   4.628   6.811   0.843
  175    HE1  PHE  24           HE1      PHE  24  -0.242   7.067   1.566
  176    HE2  PHE  24           HE2      PHE  24   3.680   6.825   3.168
  177    HZ   PHE  24           HZ       PHE  24   1.256   6.953   3.501
  178    H    ASN  25           H        ASN  25   0.914   9.164  -0.955
  179    HA   ASN  25           HA       ASN  25   2.752  11.324  -0.368
  180   1HB   ASN  25          1HB       ASN  25  -0.133  12.040  -0.906
  181   2HB   ASN  25          2HB       ASN  25   1.299  13.033  -1.091
  182   2HD2  ASN  25          1HD2      ASN  25   1.048  13.676  -3.142
  183   1HD2  ASN  25          2HD2      ASN  25   1.054  12.640  -4.530
  184    H    HIS  26           H        HIS  26   2.669  11.752   1.768
  185    HA   HIS  26           HA       HIS  26   0.845  10.302   3.515
  186   1HB   HIS  26          1HB       HIS  26   3.235  12.135   3.786
  187   2HB   HIS  26          2HB       HIS  26   2.146  11.917   5.222
  188    HD1  HIS  26           HD1      HIS  26   4.487  10.046   2.973
  189    HD2  HIS  26           HD2      HIS  26   2.443   9.502   6.578
  190    HE1  HIS  26           HE1      HIS  26   5.440   7.893   4.022
  191    H    SER  27           H        SER  27   0.637  13.263   1.753
  192    HA   SER  27           HA       SER  27  -1.081  14.483   3.715
  193   1HB   SER  27          1HB       SER  27  -1.215  16.339   2.008
  194   2HB   SER  27          2HB       SER  27   0.412  15.987   2.556
  195    HG   SER  27           HG       SER  27  -0.442  16.046   0.038
  196    H    THR  28           H        THR  28  -1.832  11.881   2.493
  197    HA   THR  28           HA       THR  28  -4.465  12.659   1.581
  198    HB   THR  28           HB       THR  28  -4.127  11.047  -0.448
  199    HG1  THR  28           HG1      THR  28  -2.004  10.417  -0.690
  200   1HG2  THR  28          1HG2      THR  28  -4.165  13.622  -0.623
  201   2HG2  THR  28          2HG2      THR  28  -2.389  13.563  -0.504
  202   3HG2  THR  28          3HG2      THR  28  -3.216  12.788  -1.877
  203    H    HIS  29           H        HIS  29  -3.208  11.456   3.896
  204    HA   HIS  29           HA       HIS  29  -5.057   9.251   4.243
  205   1HB   HIS  29          1HB       HIS  29  -2.061   8.684   3.947
  206   2HB   HIS  29          2HB       HIS  29  -3.223   7.556   4.768
  207    HD1  HIS  29           HD1      HIS  29  -1.840   8.459   1.543
  208    HD2  HIS  29           HD2      HIS  29  -5.266   6.502   2.923
  209    HE1  HIS  29           HE1      HIS  29  -2.785   7.158  -0.471
  210    H    LYS  30           H        LYS  30  -4.446  11.880   5.432
  211    HA   LYS  30           HA       LYS  30  -3.188  11.248   7.957
  212   1HB   LYS  30          1HB       LYS  30  -4.516  13.834   7.110
  213   2HB   LYS  30          2HB       LYS  30  -3.377  13.595   8.420
  214   1HG   LYS  30          1HG       LYS  30  -1.616  12.930   6.775
  215   2HG   LYS  30          2HG       LYS  30  -2.754  13.151   5.461
  216   1HD   LYS  30          1HD       LYS  30  -2.565  15.438   5.505
  217   2HD   LYS  30          2HD       LYS  30  -2.570  15.505   7.256
  218   1HE   LYS  30          1HE       LYS  30  -0.125  14.302   6.006
  219   2HE   LYS  30          2HE       LYS  30  -0.355  16.018   5.733
  220   1HZ   LYS  30          1HZ       LYS  30  -0.902  15.708   8.354
  221   2HZ   LYS  30          2HZ       LYS  30   0.336  14.668   8.127
  222   3HZ   LYS  30          3HZ       LYS  30   0.512  16.245   7.738
  223    H    ASP  31           H        ASP  31  -6.408  11.531   6.506
  224    HA   ASP  31           HA       ASP  31  -7.686  11.672   9.045
  225   1HB   ASP  31          1HB       ASP  31  -9.673  11.897   7.830
  226   2HB   ASP  31          2HB       ASP  31  -8.502  12.525   6.688
  227    H    VAL  32           H        VAL  32  -5.915   9.292   7.671
  228    HA   VAL  32           HA       VAL  32  -7.808   7.116   7.948
  229    HB   VAL  32           HB       VAL  32  -5.028   7.484   6.919
  230   1HG1  VAL  32          1HG1      VAL  32  -6.018   5.066   8.297
  231   2HG1  VAL  32          2HG1      VAL  32  -5.341   4.779   6.676
  232   3HG1  VAL  32          3HG1      VAL  32  -4.355   5.579   7.923
  233   1HG2  VAL  32          1HG2      VAL  32  -7.689   6.626   5.901
  234   2HG2  VAL  32          2HG2      VAL  32  -6.416   7.596   5.121
  235   3HG2  VAL  32          3HG2      VAL  32  -6.267   5.823   5.194
  236    H    LYS  33           H        LYS  33  -4.448   7.688   9.216
  237    HA   LYS  33           HA       LYS  33  -4.861   7.810  11.835
  238   1HB   LYS  33          1HB       LYS  33  -5.660   5.133  10.906
  239   2HB   LYS  33          2HB       LYS  33  -4.506   5.106  12.223
  240   1HG   LYS  33          1HG       LYS  33  -6.009   5.956  13.732
  241   2HG   LYS  33          2HG       LYS  33  -6.647   7.124  12.592
  242   1HD   LYS  33          1HD       LYS  33  -7.566   4.764  11.486
  243   2HD   LYS  33          2HD       LYS  33  -7.578   4.356  13.190
  244   1HE   LYS  33          1HE       LYS  33  -9.030   6.661  11.825
  245   2HE   LYS  33          2HE       LYS  33  -9.743   5.311  12.684
  246   1HZ   LYS  33          1HZ       LYS  33  -8.722   6.143  14.702
  247   2HZ   LYS  33          2HZ       LYS  33  -8.083   7.412  13.895
  248   3HZ   LYS  33          3HZ       LYS  33  -9.703   7.269  14.040
  249    H    CYS  34           H        CYS  34  -2.887   7.790  12.953
  250    HA   CYS  34           HA       CYS  34  -0.613   7.421  11.205
  251   1HB   CYS  34          1HB       CYS  34  -1.034   9.471  12.682
  252   2HB   CYS  34          2HB       CYS  34  -0.567   8.459  14.035
  253    H    ASP  35           H        ASP  35  -2.028   5.024  11.937
  254    HA   ASP  35           HA       ASP  35   0.111   3.559  12.981
  255   1HB   ASP  35          1HB       ASP  35  -0.694   2.876  15.100
  256   2HB   ASP  35          2HB       ASP  35  -1.002   4.601  15.084
  257    H    ASP  36           H        ASP  36  -1.580   3.602  10.625
  258    HA   ASP  36           HA       ASP  36  -3.175   1.199  11.043
  259   1HB   ASP  36          1HB       ASP  36  -4.805   2.403  10.017
  260   2HB   ASP  36          2HB       ASP  36  -3.687   3.702   9.651
  261    H    CYS  37           H        CYS  37  -0.607   2.872   9.231
  262    HA   CYS  37           HA       CYS  37  -0.261   0.491   7.564
  263   1HB   CYS  37          1HB       CYS  37   1.011   3.184   7.043
  264   2HB   CYS  37          2HB       CYS  37   0.822   1.838   5.938
  265    H    HIS  38           H        HIS  38   0.895   2.433  10.133
  266    HA   HIS  38           HA       HIS  38   3.591   1.128  10.082
  267   1HB   HIS  38          1HB       HIS  38   2.556   3.706  11.380
  268   2HB   HIS  38          2HB       HIS  38   4.194   2.990  11.701
  269    HD1  HIS  38           HD1      HIS  38   5.597   2.646   9.368
  270    HD2  HIS  38           HD2      HIS  38   2.618   5.577   9.415
  271    HE1  HIS  38           HE1      HIS  38   6.149   4.262   7.438
  272    H    HIS  39           H        HIS  39   2.720  -0.828  10.851
  273    HA   HIS  39           HA       HIS  39   1.645  -0.832  13.630
  274   1HB   HIS  39          1HB       HIS  39   0.767  -2.949  13.179
  275   2HB   HIS  39          2HB       HIS  39   0.572  -2.046  11.615
  276    HD1  HIS  39           HD1      HIS  39   2.444  -4.854  13.208
  277    HD2  HIS  39           HD2      HIS  39   1.977  -3.119   9.434
  278    HE1  HIS  39           HE1      HIS  39   3.509  -6.492  11.527
  279    H    GLN  40           H        GLN  40   4.431  -0.053  13.153
  280    HA   GLN  40           HA       GLN  40   5.853  -2.407  14.068
  281   1HB   GLN  40          1HB       GLN  40   6.572   0.067  12.609
  282   2HB   GLN  40          2HB       GLN  40   7.728  -0.364  13.853
  283   1HG   GLN  40          1HG       GLN  40   8.607  -1.826  12.349
  284   2HG   GLN  40          2HG       GLN  40   7.201  -2.828  12.651
  285   2HE2  GLN  40          1HE2      GLN  40   8.672  -0.449  10.564
  286   1HE2  GLN  40          2HE2      GLN  40   7.646  -0.658   9.184
  287    HA   PRO  41           HA       PRO  41   6.420  -1.250  18.249
  288   1HB   PRO  41          1HB       PRO  41   9.389  -1.003  17.866
  289   2HB   PRO  41          2HB       PRO  41   8.433  -2.107  18.907
  290   1HG   PRO  41          1HG       PRO  41   9.713  -2.640  16.787
  291   2HG   PRO  41          2HG       PRO  41   8.377  -3.781  17.150
  292   1HD   PRO  41          1HD       PRO  41   8.609  -1.729  15.014
  293   2HD   PRO  41          2HD       PRO  41   7.392  -3.029  15.193
  294    H    GLY  42           H        GLY  42   7.234   0.556  19.749
  295   1HA   GLY  42          2HA       GLY  42   7.185   2.786  20.135
  296   2HA   GLY  42          1HA       GLY  42   6.907   3.075  18.429
  297    H    ASP  43           H        ASP  43   9.559   0.992  18.638
  298    HA   ASP  43           HA       ASP  43  11.380   3.269  18.714
  299   1HB   ASP  43          1HB       ASP  43  11.508   0.512  19.829
  300   2HB   ASP  43          2HB       ASP  43  12.971   1.010  19.004
  301    H    LYS  44           H        LYS  44   9.793   1.005  16.758
  302    HA   LYS  44           HA       LYS  44  11.824   1.298  14.681
  303   1HB   LYS  44          1HB       LYS  44  10.574  -1.309  15.577
  304   2HB   LYS  44          2HB       LYS  44  11.314  -1.103  14.002
  305   1HG   LYS  44          1HG       LYS  44  12.978  -0.120  16.268
  306   2HG   LYS  44          2HG       LYS  44  12.670  -1.845  16.301
  307   1HD   LYS  44          1HD       LYS  44  13.742  -0.346  13.864
  308   2HD   LYS  44          2HD       LYS  44  14.754  -1.197  15.015
  309   1HE   LYS  44          1HE       LYS  44  12.883  -2.307  12.943
  310   2HE   LYS  44          2HE       LYS  44  14.467  -2.878  13.428
  311   1HZ   LYS  44          1HZ       LYS  44  13.418  -3.570  15.540
  312   2HZ   LYS  44          2HZ       LYS  44  11.956  -3.206  14.910
  313   3HZ   LYS  44          3HZ       LYS  44  12.867  -4.380  14.233
  314    H    GLN  45           H        GLN  45   9.039   2.396  15.610
  315    HA   GLN  45           HA       GLN  45   7.085   1.521  13.945
  316   1HB   GLN  45          1HB       GLN  45   6.893   3.231  15.804
  317   2HB   GLN  45          2HB       GLN  45   7.581   4.427  14.724
  318   1HG   GLN  45          1HG       GLN  45   5.665   4.582  13.436
  319   2HG   GLN  45          2HG       GLN  45   5.275   2.882  13.611
  320   2HE2  GLN  45          1HE2      GLN  45   4.631   2.172  15.830
  321   1HE2  GLN  45          2HE2      GLN  45   3.579   3.200  16.745
  322    H    TYR  46           H        TYR  46   9.992   3.217  13.207
  323    HA   TYR  46           HA       TYR  46   9.031   3.774  10.440
  324   1HB   TYR  46          1HB       TYR  46  11.549   4.965  11.514
  325   2HB   TYR  46          2HB       TYR  46  10.367   5.639  10.380
  326    HD1  TYR  46           HD1      TYR  46   7.938   6.026  11.490
  327    HD2  TYR  46           HD2      TYR  46  11.672   5.929  13.610
  328    HE1  TYR  46           HE1      TYR  46   6.929   7.351  13.327
  329    HE2  TYR  46           HE2      TYR  46  10.663   7.253  15.448
  330    HH   TYR  46           HH       TYR  46   8.004   7.595  16.305
  331    H    ALA  47           H        ALA  47  10.052   1.137  11.634
  332    HA   ALA  47           HA       ALA  47  12.682   0.874  10.518
  333   1HB   ALA  47          3HB       ALA  47  12.318  -0.467  12.404
  334   2HB   ALA  47          2HB       ALA  47  12.096  -1.619  11.065
  335   3HB   ALA  47          1HB       ALA  47  10.678  -0.924  11.887
  336    H    GLY  48           H        GLY  48  13.220  -0.608   8.740
  337   1HA   GLY  48          2HA       GLY  48  12.825  -1.691   6.777
  338   2HA   GLY  48          1HA       GLY  48  12.120  -0.140   6.366
  339    H    CYS  49           H        CYS  49  10.590  -1.176   4.925
  340    HA   CYS  49           HA       CYS  49   8.295  -2.178   6.388
  341   1HB   CYS  49          1HB       CYS  49   8.180  -0.295   4.682
  342   2HB   CYS  49          2HB       CYS  49   8.454  -1.510   3.449
  343    H    THR  50           H        THR  50  10.714  -3.051   3.875
  344    HA   THR  50           HA       THR  50   9.595  -5.773   3.832
  345    HB   THR  50           HB       THR  50  10.941  -5.877   1.650
  346    HG1  THR  50           HG1      THR  50  12.262  -4.116   1.437
  347   1HG2  THR  50          1HG2      THR  50   8.465  -4.484   2.154
  348   2HG2  THR  50          2HG2      THR  50   9.400  -3.519   0.986
  349   3HG2  THR  50          3HG2      THR  50   9.010  -5.218   0.627
  350    H    THR  51           H        THR  51  11.073  -4.905   6.109
  351    HA   THR  51           HA       THR  51  13.793  -5.745   5.781
  352    HB   THR  51           HB       THR  51  12.422  -5.569   8.461
  353    HG1  THR  51           HG1      THR  51  11.713  -3.536   7.939
  354   1HG2  THR  51          1HG2      THR  51  14.983  -5.681   8.076
  355   2HG2  THR  51          2HG2      THR  51  14.836  -4.062   7.350
  356   3HG2  THR  51          3HG2      THR  51  14.403  -4.314   9.058
  357    H    ASP  52           H        ASP  52  14.692  -7.491   7.322
  358    HA   ASP  52           HA       ASP  52  13.818  -9.893   6.426
  359   1HB   ASP  52          1HB       ASP  52  15.839  -8.946   8.114
  360   2HB   ASP  52          2HB       ASP  52  14.916  -9.990   9.177
  361    H    GLY  53           H        GLY  53  12.481 -11.591   7.381
  362   1HA   GLY  53          2HA       GLY  53  11.313 -11.522   9.904
  363   2HA   GLY  53          1HA       GLY  53  10.728 -12.416   8.516
  364    H    CYS  54           H        CYS  54  10.320 -10.037   6.785
  365    HA   CYS  54           HA       CYS  54   7.861  -9.134   8.058
  366   1HB   CYS  54          1HB       CYS  54   9.681  -7.191   6.612
  367   2HB   CYS  54          2HB       CYS  54   8.214  -6.832   7.501
  368    H    HIS  55           H        HIS  55   8.045  -7.217   5.569
  369    HA   HIS  55           HA       HIS  55   6.924  -9.202   3.634
  370   1HB   HIS  55          1HB       HIS  55   6.603  -6.165   3.549
  371   2HB   HIS  55          2HB       HIS  55   5.592  -7.449   2.757
  372    HD1  HIS  55           HD1      HIS  55   3.925  -8.681   4.251
  373    HD2  HIS  55           HD2      HIS  55   5.852  -5.498   6.155
  374    HE1  HIS  55           HE1      HIS  55   2.561  -8.186   6.382
  375    H    ASN  56           H        ASN  56   9.194  -9.857   3.102
  376    HA   ASN  56           HA       ASN  56  10.579  -7.837   1.550
  377   1HB   ASN  56          1HB       ASN  56  11.620  -9.514   3.385
  378   2HB   ASN  56          2HB       ASN  56  11.673 -10.622   2.029
  379   2HD2  ASN  56          1HD2      ASN  56  13.957  -9.822   3.265
  380   1HD2  ASN  56          2HD2      ASN  56  14.905  -8.802   2.236
  381    H    ILE  57           H        ILE  57   9.362 -11.260   1.467
  382    HA   ILE  57           HA       ILE  57  10.046 -12.102  -0.968
  383    HB   ILE  57           HB       ILE  57   7.430 -12.370   0.496
  384   1HG1  ILE  57          1HG1      ILE  57  10.047 -13.606   0.674
  385   2HG1  ILE  57          2HG1      ILE  57   8.682 -13.706   1.768
  386   1HG2  ILE  57          1HG2      ILE  57   8.302 -13.809  -2.024
  387   2HG2  ILE  57          2HG2      ILE  57   6.923 -14.274  -0.998
  388   3HG2  ILE  57          3HG2      ILE  57   6.916 -12.707  -1.842
  389   1HD1  ILE  57          1HD1      ILE  57   8.928 -15.315  -0.815
  390   2HD1  ILE  57          2HD1      ILE  57   9.325 -15.933   0.806
  391   3HD1  ILE  57          3HD1      ILE  57   7.650 -15.477   0.412
  392    H    LEU  58           H        LEU  58  10.060 -11.196  -2.947
  393    HA   LEU  58           HA       LEU  58   7.955  -9.235  -3.515
  394   1HB   LEU  58          1HB       LEU  58  10.626  -9.579  -4.879
  395   2HB   LEU  58          2HB       LEU  58   9.465  -8.293  -5.138
  396    HG   LEU  58           HG       LEU  58  11.116  -8.791  -2.651
  397   1HD1  LEU  58          1HD1      LEU  58  12.051  -7.659  -4.811
  398   2HD1  LEU  58          2HD1      LEU  58  11.104  -6.257  -4.258
  399   3HD1  LEU  58          3HD1      LEU  58  12.373  -6.942  -3.214
  400   1HD2  LEU  58          1HD2      LEU  58   8.833  -8.074  -2.045
  401   2HD2  LEU  58          2HD2      LEU  58  10.066  -6.853  -1.647
  402   3HD2  LEU  58          3HD2      LEU  58   9.028  -6.637  -3.077
  403    H    ASP  59           H        ASP  59   7.212 -11.937  -3.570
  404    HA   ASP  59           HA       ASP  59   6.913 -12.265  -6.445
  405   1HB   ASP  59          1HB       ASP  59   8.557 -13.923  -5.334
  406   2HB   ASP  59          2HB       ASP  59   7.177 -14.577  -4.474
  407    H    LYS  60           H        LYS  60   4.859 -13.506  -6.989
  408    HA   LYS  60           HA       LYS  60   2.859 -13.081  -4.891
  409   1HB   LYS  60          1HB       LYS  60   2.398 -11.772  -6.833
  410   2HB   LYS  60          2HB       LYS  60   2.681 -13.125  -7.911
  411   1HG   LYS  60          1HG       LYS  60   0.592 -13.561  -5.809
  412   2HG   LYS  60          2HG       LYS  60   0.196 -12.374  -7.036
  413   1HD   LYS  60          1HD       LYS  60   1.395 -14.884  -8.103
  414   2HD   LYS  60          2HD       LYS  60  -0.155 -15.104  -7.314
  415   1HE   LYS  60          1HE       LYS  60  -0.274 -12.734  -8.996
  416   2HE   LYS  60          2HE       LYS  60   0.341 -14.076  -9.940
  417   1HZ   LYS  60          1HZ       LYS  60  -1.594 -15.328  -8.837
  418   2HZ   LYS  60          2HZ       LYS  60  -2.217 -13.841  -8.576
  419   3HZ   LYS  60          3HZ       LYS  60  -1.902 -14.338 -10.099
  420    H    ALA  61           H        ALA  61   4.512 -15.467  -6.888
  421    HA   ALA  61           HA       ALA  61   2.635 -17.519  -6.783
  422   1HB   ALA  61          2HB       ALA  61   5.341 -18.516  -6.605
  423   2HB   ALA  61          3HB       ALA  61   4.249 -18.483  -8.010
  424   3HB   ALA  61          1HB       ALA  61   5.303 -17.090  -7.669
  425    H    ASP  62           H        ASP  62   4.452 -15.972  -4.275
  426    HA   ASP  62           HA       ASP  62   4.069 -18.301  -2.572
  427   1HB   ASP  62          1HB       ASP  62   6.047 -16.067  -2.676
  428   2HB   ASP  62          2HB       ASP  62   5.521 -16.501  -1.062
  429    H    LYS  63           H        LYS  63   2.494 -18.136  -0.945
  430    HA   LYS  63           HA       LYS  63   1.070 -15.620  -0.758
  431   1HB   LYS  63          1HB       LYS  63   0.253 -18.238  -0.823
  432   2HB   LYS  63          2HB       LYS  63   0.197 -17.903   0.896
  433   1HG   LYS  63          1HG       LYS  63  -0.981 -15.629   0.049
  434   2HG   LYS  63          2HG       LYS  63  -1.365 -16.622  -1.342
  435   1HD   LYS  63          1HD       LYS  63  -1.918 -18.243   0.940
  436   2HD   LYS  63          2HD       LYS  63  -2.559 -16.657   1.319
  437   1HE   LYS  63          1HE       LYS  63  -3.599 -16.738  -1.096
  438   2HE   LYS  63          2HE       LYS  63  -3.269 -18.458  -1.024
  439   1HZ   LYS  63          1HZ       LYS  63  -4.475 -17.636   1.359
  440   2HZ   LYS  63          2HZ       LYS  63  -5.384 -17.123   0.103
  441   3HZ   LYS  63          3HZ       LYS  63  -5.023 -18.708   0.257
  442    H    SER  64           H        SER  64   0.192 -16.311   2.054
  443    HA   SER  64           HA       SER  64   0.887 -16.149   4.142
  444   1HB   SER  64          1HB       SER  64   3.043 -16.591   4.767
  445   2HB   SER  64          2HB       SER  64   3.230 -17.028   3.080
  446    HG   SER  64           HG       SER  64   4.179 -14.753   4.480
  447    H    VAL  65           H        VAL  65   1.764 -14.297   5.644
  448    HA   VAL  65           HA       VAL  65   1.077 -11.798   4.328
  449    HB   VAL  65           HB       VAL  65   1.489 -12.451   7.252
  450   1HG1  VAL  65          1HG1      VAL  65   0.764  -9.988   5.758
  451   2HG1  VAL  65          2HG1      VAL  65  -0.199 -10.337   7.213
  452   3HG1  VAL  65          3HG1      VAL  65   1.570 -10.185   7.332
  453   1HG2  VAL  65          1HG2      VAL  65  -1.035 -12.420   5.567
  454   2HG2  VAL  65          2HG2      VAL  65  -0.328 -13.801   6.439
  455   3HG2  VAL  65          3HG2      VAL  65  -1.019 -12.434   7.347
  456    H    ASN  66           H        ASN  66   3.610 -13.045   3.636
  457    HA   ASN  66           HA       ASN  66   5.374 -11.064   4.846
  458   1HB   ASN  66          1HB       ASN  66   6.083 -13.874   3.848
  459   2HB   ASN  66          2HB       ASN  66   7.250 -12.708   4.440
  460   2HD2  ASN  66          1HD2      ASN  66   7.035 -11.928   6.632
  461   1HD2  ASN  66          2HD2      ASN  66   6.395 -12.958   7.869
  462    H    SER  67           H        SER  67   3.561 -11.415   2.268
  463    HA   SER  67           HA       SER  67   5.686 -11.097   0.306
  464   1HB   SER  67          1HB       SER  67   2.912 -12.183   0.228
  465   2HB   SER  67          2HB       SER  67   3.356 -11.208  -1.160
  466    HG   SER  67           HG       SER  67   3.992 -13.296  -1.668
  467    H    TRP  68           H        TRP  68   6.244  -8.952   0.097
  468    HA   TRP  68           HA       TRP  68   4.880  -6.784   0.937
  469   1HB   TRP  68          1HB       TRP  68   7.136  -6.614   0.208
  470   2HB   TRP  68          2HB       TRP  68   6.729  -7.111  -1.423
  471    HD1  TRP  68           HD1      TRP  68   6.847  -5.047  -3.005
  472    HE1  TRP  68           HE1      TRP  68   6.272  -2.472  -2.960
  473    HE3  TRP  68           HE3      TRP  68   5.231  -4.957   1.816
  474    HZ2  TRP  68           HZ2      TRP  68   5.230  -0.725  -0.958
  475    HZ3  TRP  68           HZ3      TRP  68   4.452  -2.776   2.738
  476    HH2  TRP  68           HH2      TRP  68   4.434  -0.709   1.435
  477    H    TYR  69           H        TYR  69   4.340  -8.798  -1.877
  478    HA   TYR  69           HA       TYR  69   2.300  -6.946  -2.954
  479   1HB   TYR  69          1HB       TYR  69   3.967  -7.968  -4.473
  480   2HB   TYR  69          2HB       TYR  69   3.392  -9.578  -4.006
  481    HD1  TYR  69           HD1      TYR  69   2.475  -6.433  -5.757
  482    HD2  TYR  69           HD2      TYR  69   1.403 -10.513  -4.946
  483    HE1  TYR  69           HE1      TYR  69   0.757  -6.337  -7.543
  484    HE2  TYR  69           HE2      TYR  69  -0.314 -10.417  -6.732
  485    HH   TYR  69           HH       TYR  69  -0.631  -7.671  -8.916
  486    H    LYS  70           H        LYS  70   1.470  -7.823  -0.461
  487    HA   LYS  70           HA       LYS  70  -0.678  -9.625  -1.252
  488   1HB   LYS  70          1HB       LYS  70   1.247 -10.918  -0.171
  489   2HB   LYS  70          2HB       LYS  70   0.855 -10.076   1.315
  490   1HG   LYS  70          1HG       LYS  70  -0.555 -11.870   1.622
  491   2HG   LYS  70          2HG       LYS  70  -1.645 -10.900   0.651
  492   1HD   LYS  70          1HD       LYS  70   0.001 -12.283  -1.217
  493   2HD   LYS  70          2HD       LYS  70  -0.403 -13.466   0.011
  494   1HE   LYS  70          1HE       LYS  70  -2.191 -13.616  -1.559
  495   2HE   LYS  70          2HE       LYS  70  -2.858 -12.682  -0.235
  496   1HZ   LYS  70          1HZ       LYS  70  -1.661 -11.481  -2.633
  497   2HZ   LYS  70          2HZ       LYS  70  -3.264 -11.719  -2.430
  498   3HZ   LYS  70          3HZ       LYS  70  -2.460 -10.694  -1.445
  499    H    VAL  71           H        VAL  71   0.702  -7.757   1.548
  500    HA   VAL  71           HA       VAL  71  -1.904  -7.095   2.483
  501    HB   VAL  71           HB       VAL  71  -0.827  -6.165   4.268
  502   1HG1  VAL  71          1HG1      VAL  71   0.107  -8.564   3.472
  503   2HG1  VAL  71          2HG1      VAL  71   1.636  -7.653   3.511
  504   3HG1  VAL  71          3HG1      VAL  71   0.628  -7.763   4.974
  505   1HG2  VAL  71          1HG2      VAL  71   1.135  -5.184   2.245
  506   2HG2  VAL  71          2HG2      VAL  71   0.344  -4.326   3.589
  507   3HG2  VAL  71          3HG2      VAL  71   1.717  -5.411   3.911
  508    H    VAL  72           H        VAL  72  -0.243  -6.142  -0.244
  509    HA   VAL  72           HA       VAL  72  -1.088  -3.356  -0.062
  510    HB   VAL  72           HB       VAL  72   0.723  -4.927  -1.878
  511   1HG1  VAL  72          1HG1      VAL  72  -0.623  -2.291  -2.414
  512   2HG1  VAL  72          2HG1      VAL  72   1.028  -2.586  -3.013
  513   3HG1  VAL  72          3HG1      VAL  72  -0.306  -3.650  -3.518
  514   1HG2  VAL  72          1HG2      VAL  72   1.039  -2.619   0.042
  515   2HG2  VAL  72          2HG2      VAL  72   1.897  -4.178   0.008
  516   3HG2  VAL  72          3HG2      VAL  72   2.245  -2.944  -1.226
  517    H    HIS  73           H        HIS  73  -1.590  -6.373  -1.811
  518    HA   HIS  73           HA       HIS  73  -3.950  -5.156  -3.202
  519   1HB   HIS  73          1HB       HIS  73  -2.276  -7.620  -3.941
  520   2HB   HIS  73          2HB       HIS  73  -3.671  -6.936  -4.880
  521    HD1  HIS  73           HD1      HIS  73  -0.071  -6.422  -4.110
  522    HD2  HIS  73           HD2      HIS  73  -3.062  -4.657  -6.436
  523    HE1  HIS  73           HE1      HIS  73   1.128  -4.789  -5.704
  524    H    ASP  74           H        ASP  74  -3.499  -6.468  -0.353
  525    HA   ASP  74           HA       ASP  74  -5.077  -8.806  -0.501
  526   1HB   ASP  74          1HB       ASP  74  -3.669  -7.216   1.551
  527   2HB   ASP  74          2HB       ASP  74  -5.186  -7.861   2.146
  528    H    ALA  75           H        ALA  75  -6.827  -7.499  -1.815
  529    HA   ALA  75           HA       ALA  75  -8.327  -5.473  -0.721
  530   1HB   ALA  75          2HB       ALA  75  -9.491  -7.716  -2.394
  531   2HB   ALA  75          1HB       ALA  75  -8.341  -6.541  -3.076
  532   3HB   ALA  75          3HB       ALA  75  -9.897  -5.983  -2.417
  533    H    LYS  76           H        LYS  76  -8.197  -8.914   0.078
  534    HA   LYS  76           HA       LYS  76 -10.695  -9.188   1.262
  535   1HB   LYS  76          1HB       LYS  76  -9.314 -11.093   0.726
  536   2HB   LYS  76          2HB       LYS  76  -8.048 -10.555   1.810
  537   1HG   LYS  76          1HG       LYS  76 -10.046 -10.608   3.612
  538   2HG   LYS  76          2HG       LYS  76 -10.739 -11.746   2.474
  539   1HD   LYS  76          1HD       LYS  76  -7.869 -12.251   3.015
  540   2HD   LYS  76          2HD       LYS  76  -8.866 -12.363   4.451
  541   1HE   LYS  76          1HE       LYS  76 -10.085 -13.691   2.100
  542   2HE   LYS  76          2HE       LYS  76  -8.533 -14.375   2.540
  543   1HZ   LYS  76          1HZ       LYS  76  -9.592 -14.210   4.908
  544   2HZ   LYS  76          2HZ       LYS  76 -10.988 -14.302   4.065
  545   3HZ   LYS  76          3HZ       LYS  76  -9.877 -15.493   3.938
  546    H    GLY  77           H        GLY  77  -7.501  -8.293   2.744
  547   1HA   GLY  77          2HA       GLY  77  -8.926  -6.632   4.673
  548   2HA   GLY  77          1HA       GLY  77  -7.202  -6.672   4.362
  549    H    GLY  78           H        GLY  78  -6.186  -7.250   6.240
  550   1HA   GLY  78          2HA       GLY  78  -5.488  -9.152   7.522
  551   2HA   GLY  78          1HA       GLY  78  -7.150  -9.705   7.572
  552    H    ALA  79           H        ALA  79  -5.070  -8.879   9.720
  553    HA   ALA  79           HA       ALA  79  -6.857  -7.891  11.581
  554   1HB   ALA  79          3HB       ALA  79  -5.126  -8.341  12.952
  555   2HB   ALA  79          2HB       ALA  79  -4.077  -7.164  12.125
  556   3HB   ALA  79          1HB       ALA  79  -4.216  -8.825  11.500
  557    H    LYS  80           H        LYS  80  -4.884  -6.252   9.137
  558    HA   LYS  80           HA       LYS  80  -6.099  -3.740  10.000
  559   1HB   LYS  80          1HB       LYS  80  -3.358  -4.379  10.365
  560   2HB   LYS  80          2HB       LYS  80  -3.432  -3.244   9.032
  561   1HG   LYS  80          1HG       LYS  80  -4.257  -1.525  10.349
  562   2HG   LYS  80          2HG       LYS  80  -5.189  -2.602  11.369
  563   1HD   LYS  80          1HD       LYS  80  -2.173  -2.744  11.508
  564   2HD   LYS  80          2HD       LYS  80  -2.980  -1.395  12.284
  565   1HE   LYS  80          1HE       LYS  80  -4.528  -3.552  13.127
  566   2HE   LYS  80          2HE       LYS  80  -2.926  -4.260  13.062
  567   1HZ   LYS  80          1HZ       LYS  80  -2.252  -2.147  14.298
  568   2HZ   LYS  80          2HZ       LYS  80  -3.838  -1.997  14.655
  569   3HZ   LYS  80          3HZ       LYS  80  -3.016  -3.324  15.133
  570    HA   PRO  81           HA       PRO  81  -7.341  -3.290   5.859
  571   1HB   PRO  81          1HB       PRO  81  -6.865  -0.528   5.595
  572   2HB   PRO  81          2HB       PRO  81  -8.298  -1.272   6.376
  573   1HG   PRO  81          1HG       PRO  81  -5.832  -0.125   7.845
  574   2HG   PRO  81          2HG       PRO  81  -7.607  -0.032   8.086
  575   1HD   PRO  81          1HD       PRO  81  -5.987  -1.853   9.398
  576   2HD   PRO  81          2HD       PRO  81  -7.675  -2.232   8.938
  577    H    THR  82           H        THR  82  -6.449  -2.907   3.669
  578    HA   THR  82           HA       THR  82  -3.510  -2.805   3.744
  579    HB   THR  82           HB       THR  82  -3.878  -3.967   1.438
  580    HG1  THR  82           HG1      THR  82  -6.032  -4.450   1.035
  581   1HG2  THR  82          1HG2      THR  82  -4.263  -5.079   4.163
  582   2HG2  THR  82          2HG2      THR  82  -5.072  -6.031   2.895
  583   3HG2  THR  82          3HG2      THR  82  -3.319  -5.733   2.803
  584    H    CYS  83           H        CYS  83  -4.984  -2.481   0.649
  585    HA   CYS  83           HA       CYS  83  -4.775   0.424   0.812
  586   1HB   CYS  83          1HB       CYS  83  -3.451  -1.247  -1.335
  587   2HB   CYS  83          2HB       CYS  83  -3.527   0.503  -1.291
  588    H    ILE  84           H        ILE  84  -5.652  -2.538  -1.086
  589    HA   ILE  84           HA       ILE  84  -7.546  -1.068  -2.667
  590    HB   ILE  84           HB       ILE  84  -6.410  -3.793  -2.583
  591   1HG1  ILE  84          1HG1      ILE  84  -6.976  -1.659  -4.622
  592   2HG1  ILE  84          2HG1      ILE  84  -5.452  -2.410  -4.191
  593   1HG2  ILE  84          1HG2      ILE  84  -8.784  -4.316  -2.346
  594   2HG2  ILE  84          2HG2      ILE  84  -9.162  -3.284  -3.746
  595   3HG2  ILE  84          3HG2      ILE  84  -8.186  -4.756  -3.964
  596   1HD1  ILE  84          1HD1      ILE  84  -6.404  -4.611  -5.122
  597   2HD1  ILE  84          2HD1      ILE  84  -7.740  -3.638  -5.782
  598   3HD1  ILE  84          3HD1      ILE  84  -6.070  -3.338  -6.319
  599    H    SER  85           H        SER  85  -7.484  -2.984   0.313
  600    HA   SER  85           HA       SER  85 -10.138  -3.673   0.424
  601   1HB   SER  85          1HB       SER  85  -9.761  -3.722   2.931
  602   2HB   SER  85          2HB       SER  85  -8.583  -4.621   1.997
  603    HG   SER  85           HG       SER  85  -7.389  -2.364   2.093
  604    H    CYS  86           H        CYS  86  -8.762  -1.143   2.622
  605    HA   CYS  86           HA       CYS  86 -10.975   0.128   3.303
  606   1HB   CYS  86          1HB       CYS  86  -8.759   0.758   4.123
  607   2HB   CYS  86          2HB       CYS  86  -8.349   1.466   2.574
  608    H    HIS  87           H        HIS  87  -9.030   0.840   0.396
  609    HA   HIS  87           HA       HIS  87 -10.593   2.853  -0.772
  610   1HB   HIS  87          1HB       HIS  87  -8.685   0.723  -1.778
  611   2HB   HIS  87          2HB       HIS  87  -9.628   1.703  -2.981
  612    HD1  HIS  87           HD1      HIS  87  -8.053   3.270  -3.895
  613    HD2  HIS  87           HD2      HIS  87  -7.622   3.009   0.254
  614    HE1  HIS  87           HE1      HIS  87  -6.296   5.040  -3.242
  615    H    LYS  88           H        LYS  88 -10.787  -0.730  -1.540
  616    HA   LYS  88           HA       LYS  88 -13.035  -0.520  -3.137
  617   1HB   LYS  88          1HB       LYS  88 -11.441  -2.477  -2.859
  618   2HB   LYS  88          2HB       LYS  88 -12.314  -2.891  -1.397
  619   1HG   LYS  88          1HG       LYS  88 -14.012  -2.381  -3.808
  620   2HG   LYS  88          2HG       LYS  88 -12.995  -3.806  -3.891
  621   1HD   LYS  88          1HD       LYS  88 -14.427  -3.457  -1.298
  622   2HD   LYS  88          2HD       LYS  88 -15.475  -3.721  -2.678
  623   1HE   LYS  88          1HE       LYS  88 -13.899  -5.712  -3.276
  624   2HE   LYS  88          2HE       LYS  88 -13.246  -5.528  -1.660
  625   1HZ   LYS  88          1HZ       LYS  88 -16.066  -5.524  -1.632
  626   2HZ   LYS  88          2HZ       LYS  88 -15.495  -6.880  -2.341
  627   3HZ   LYS  88          3HZ       LYS  88 -15.028  -6.492  -0.825
  628    H    ASP  89           H        ASP  89 -12.654  -0.397   0.374
  629    HA   ASP  89           HA       ASP  89 -15.476  -0.795   0.749
  630   1HB   ASP  89          1HB       ASP  89 -13.240  -1.302   2.307
  631   2HB   ASP  89          2HB       ASP  89 -13.814   0.195   3.015
  632    H    LYS  90           H        LYS  90 -13.826   1.641  -0.562
  633    HA   LYS  90           HA       LYS  90 -15.447   3.682   0.756
  634   1HB   LYS  90          1HB       LYS  90 -12.467   3.866   0.242
  635   2HB   LYS  90          2HB       LYS  90 -13.481   5.255   0.578
  636   1HG   LYS  90          1HG       LYS  90 -13.776   2.962   2.478
  637   2HG   LYS  90          2HG       LYS  90 -12.224   3.774   2.517
  638   1HD   LYS  90          1HD       LYS  90 -13.403   5.978   2.802
  639   2HD   LYS  90          2HD       LYS  90 -14.941   5.140   2.812
  640   1HE   LYS  90          1HE       LYS  90 -13.599   3.708   4.739
  641   2HE   LYS  90          2HE       LYS  90 -12.842   5.276   4.936
  642   1HZ   LYS  90          1HZ       LYS  90 -15.163   6.176   4.977
  643   2HZ   LYS  90          2HZ       LYS  90 -15.694   4.640   5.128
  644   3HZ   LYS  90          3HZ       LYS  90 -14.726   5.285   6.274
  645    H    ALA  91           H        ALA  91 -16.739   2.969  -1.217
  646    HA   ALA  91           HA       ALA  91 -16.410   4.901  -3.228
  647   1HB   ALA  91          1HB       ALA  91 -15.254   2.175  -3.703
  648   2HB   ALA  91          3HB       ALA  91 -14.731   3.760  -4.322
  649   3HB   ALA  91          2HB       ALA  91 -16.143   2.947  -5.038
  650    H    GLY  92           H        GLY  92 -17.578   1.503  -2.671
  651   1HA   GLY  92          2HA       GLY  92 -20.324   2.467  -2.956
  652   2HA   GLY  92          1HA       GLY  92 -19.795   0.922  -2.319
  653    H    ASP  93           H        ASP  93 -21.857   1.384  -4.365
  654    HA   ASP  93           HA       ASP  93 -20.943  -0.532  -6.208
  655   1HB   ASP  93          1HB       ASP  93 -23.204  -0.090  -7.297
  656   2HB   ASP  93          2HB       ASP  93 -23.271  -0.559  -5.610
  657    H    ASP  94           H        ASP  94 -20.938   2.962  -5.989
  658    HA   ASP  94           HA       ASP  94 -21.160   3.636  -8.654
  659   1HB   ASP  94          1HB       ASP  94 -19.950   4.877  -6.194
  660   2HB   ASP  94          2HB       ASP  94 -19.496   5.576  -7.735
  661    H    LYS  95           H        LYS  95 -19.856   1.918  -9.752
  662    HA   LYS  95           HA       LYS  95 -17.250   1.303  -9.269
  663   1HB   LYS  95          1HB       LYS  95 -17.154   0.601 -11.620
  664   2HB   LYS  95          2HB       LYS  95 -18.639   0.092 -10.844
  665   1HG   LYS  95          1HG       LYS  95 -19.957   1.462 -12.147
  666   2HG   LYS  95          2HG       LYS  95 -18.790   2.769 -12.144
  667   1HD   LYS  95          1HD       LYS  95 -17.357   1.151 -13.676
  668   2HD   LYS  95          2HD       LYS  95 -18.881   0.326 -13.937
  669   1HE   LYS  95          1HE       LYS  95 -19.199   3.236 -14.198
  670   2HE   LYS  95          2HE       LYS  95 -17.958   2.638 -15.282
  671   1HZ   LYS  95          1HZ       LYS  95 -19.630   0.893 -15.905
  672   2HZ   LYS  95          2HZ       LYS  95 -20.754   1.785 -15.126
  673   3HZ   LYS  95          3HZ       LYS  95 -19.960   2.411 -16.408
  674    H    GLU  96           H        GLU  96 -18.599   4.314 -10.450
  675    HA   GLU  96           HA       GLU  96 -16.476   5.278 -11.882
  676   1HB   GLU  96          1HB       GLU  96 -18.785   6.310 -11.599
  677   2HB   GLU  96          2HB       GLU  96 -18.272   6.907 -10.033
  678   1HG   GLU  96          1HG       GLU  96 -18.015   8.604 -11.879
  679   2HG   GLU  96          2HG       GLU  96 -16.518   8.271 -11.032
  680    H    LEU  97           H        LEU  97 -16.951   4.958  -8.365
  681    HA   LEU  97           HA       LEU  97 -14.499   6.457  -7.879
  682   1HB   LEU  97          1HB       LEU  97 -16.939   6.232  -6.539
  683   2HB   LEU  97          2HB       LEU  97 -15.810   5.324  -5.553
  684    HG   LEU  97           HG       LEU  97 -15.186   8.127  -6.486
  685   1HD1  LEU  97          1HD1      LEU  97 -16.979   7.246  -4.252
  686   2HD1  LEU  97          2HD1      LEU  97 -15.955   8.687  -4.041
  687   3HD1  LEU  97          3HD1      LEU  97 -17.135   8.620  -5.372
  688   1HD2  LEU  97          1HD2      LEU  97 -14.147   6.353  -4.267
  689   2HD2  LEU  97          2HD2      LEU  97 -13.265   6.988  -5.676
  690   3HD2  LEU  97          3HD2      LEU  97 -13.794   8.094  -4.385
  691    H    LYS  98           H        LYS  98 -15.200   3.463  -8.962
  692    HA   LYS  98           HA       LYS  98 -13.392   2.080  -7.133
  693   1HB   LYS  98          1HB       LYS  98 -15.264   1.078  -9.296
  694   2HB   LYS  98          2HB       LYS  98 -14.159   0.050  -8.406
  695   1HG   LYS  98          1HG       LYS  98 -16.066   1.872  -6.905
  696   2HG   LYS  98          2HG       LYS  98 -16.643   0.348  -7.550
  697   1HD   LYS  98          1HD       LYS  98 -14.912  -0.888  -6.284
  698   2HD   LYS  98          2HD       LYS  98 -14.220   0.616  -5.708
  699   1HE   LYS  98          1HE       LYS  98 -15.572   0.169  -3.886
  700   2HE   LYS  98          2HE       LYS  98 -16.752   1.026  -4.857
  701   1HZ   LYS  98          1HZ       LYS  98 -16.400  -1.889  -4.937
  702   2HZ   LYS  98          2HZ       LYS  98 -17.516  -1.130  -4.016
  703   3HZ   LYS  98          3HZ       LYS  98 -17.595  -1.028  -5.644
  704    H    LYS  99           H        LYS  99 -13.784   3.170 -10.529
  705    HA   LYS  99           HA       LYS  99 -11.578   1.870 -11.592
  706   1HB   LYS  99          1HB       LYS  99 -13.187   4.292 -12.305
  707   2HB   LYS  99          2HB       LYS  99 -11.672   4.025 -13.143
  708   1HG   LYS  99          1HG       LYS  99 -12.385   1.946 -14.051
  709   2HG   LYS  99          2HG       LYS  99 -13.644   1.741 -12.851
  710   1HD   LYS  99          1HD       LYS  99 -15.086   2.576 -14.397
  711   2HD   LYS  99          2HD       LYS  99 -14.370   4.144 -14.080
  712   1HE   LYS  99          1HE       LYS  99 -12.524   3.078 -15.840
  713   2HE   LYS  99          2HE       LYS  99 -13.999   2.331 -16.419
  714   1HZ   LYS  99          1HZ       LYS  99 -14.980   4.579 -16.424
  715   2HZ   LYS  99          2HZ       LYS  99 -13.512   5.205 -16.075
  716   3HZ   LYS  99          3HZ       LYS  99 -13.745   4.404 -17.479
  717    H    LYS 100           H        LYS 100 -11.867   4.814  -9.597
  718    HA   LYS 100           HA       LYS 100  -8.942   5.053  -9.733
  719   1HB   LYS 100          1HB       LYS 100 -10.797   6.967 -10.384
  720   2HB   LYS 100          2HB       LYS 100 -10.480   7.351  -8.705
  721   1HG   LYS 100          1HG       LYS 100  -8.041   7.432  -9.149
  722   2HG   LYS 100          2HG       LYS 100  -8.306   6.952 -10.814
  723   1HD   LYS 100          1HD       LYS 100  -7.982   9.454 -10.468
  724   2HD   LYS 100          2HD       LYS 100  -9.437   9.019 -11.341
  725   1HE   LYS 100          1HE       LYS 100  -9.739   9.172  -8.370
  726   2HE   LYS 100          2HE       LYS 100  -9.396  10.696  -9.163
  727   1HZ   LYS 100          1HZ       LYS 100 -11.241   9.770 -10.767
  728   2HZ   LYS 100          2HZ       LYS 100 -11.716   9.002  -9.406
  729   3HZ   LYS 100          3HZ       LYS 100 -11.608  10.632  -9.429
  730    H    LEU 101           H        LEU 101  -8.583   3.432  -8.127
  731    HA   LEU 101           HA       LEU 101  -8.123   4.167  -5.642
  732   1HB   LEU 101          1HB       LEU 101 -11.037   3.915  -5.978
  733   2HB   LEU 101          2HB       LEU 101 -10.384   3.054  -4.598
  734    HG   LEU 101           HG       LEU 101 -11.013   5.803  -4.820
  735   1HD1  LEU 101          1HD1      LEU 101 -10.880   3.929  -2.868
  736   2HD1  LEU 101          2HD1      LEU 101  -9.456   4.919  -2.467
  737   3HD1  LEU 101          3HD1      LEU 101 -11.064   5.675  -2.573
  738   1HD2  LEU 101          1HD2      LEU 101  -8.686   5.994  -5.793
  739   2HD2  LEU 101          2HD2      LEU 101  -9.016   6.986  -4.353
  740   3HD2  LEU 101          3HD2      LEU 101  -8.071   5.485  -4.203
  741    H    THR 102           H        THR 102  -9.404   1.756  -7.862
  742    HA   THR 102           HA       THR 102  -7.761  -0.246  -6.489
  743    HB   THR 102           HB       THR 102  -9.578  -1.878  -6.644
  744    HG1  THR 102           HG1      THR 102 -10.990  -1.427  -8.284
  745   1HG2  THR 102          1HG2      THR 102  -9.796  -0.265  -4.699
  746   2HG2  THR 102          2HG2      THR 102 -10.811   0.773  -5.728
  747   3HG2  THR 102          3HG2      THR 102 -11.368  -0.859  -5.285
  748    H    GLY 103           H        GLY 103  -9.613   0.682  -9.448
  749   1HA   GLY 103          2HA       GLY 103  -8.921   0.616 -11.606
  750   2HA   GLY 103          1HA       GLY 103  -8.782  -1.099 -11.271
  751    H    CYS 104           H        CYS 104  -7.038  -1.026 -12.952
  752    HA   CYS 104           HA       CYS 104  -4.516  -0.297 -11.668
  753   1HB   CYS 104          1HB       CYS 104  -4.497  -2.013 -14.079
  754   2HB   CYS 104          2HB       CYS 104  -3.522  -2.090 -12.625
  755    H    LYS 105           H        LYS 105  -5.571  -0.799 -15.111
  756    HA   LYS 105           HA       LYS 105  -4.004   1.431 -15.952
  757   1HB   LYS 105          1HB       LYS 105  -4.107  -0.444 -17.406
  758   2HB   LYS 105          2HB       LYS 105  -5.857  -0.504 -17.351
  759   1HG   LYS 105          1HG       LYS 105  -5.742   1.937 -18.342
  760   2HG   LYS 105          2HG       LYS 105  -4.087   1.528 -18.750
  761   1HD   LYS 105          1HD       LYS 105  -4.835   0.457 -20.600
  762   2HD   LYS 105          2HD       LYS 105  -5.644  -0.710 -19.573
  763   1HE   LYS 105          1HE       LYS 105  -7.672   0.704 -19.489
  764   2HE   LYS 105          2HE       LYS 105  -6.865   1.968 -20.397
  765   1HZ   LYS 105          1HZ       LYS 105  -6.694  -0.502 -21.739
  766   2HZ   LYS 105          2HZ       LYS 105  -8.253  -0.132 -21.425
  767   3HZ   LYS 105          3HZ       LYS 105  -7.318   0.913 -22.263
  768    H    GLY 106           H        GLY 106  -4.745   3.334 -15.000
  769   1HA   GLY 106          2HA       GLY 106  -7.454   4.153 -15.855
  770   2HA   GLY 106          1HA       GLY 106  -6.077   5.223 -15.679
  771    H    SER 107           H        SER 107  -5.104   3.871 -13.170
  772    HA   SER 107           HA       SER 107  -7.102   5.059 -11.421
  773   1HB   SER 107          1HB       SER 107  -7.486   3.094 -10.383
  774   2HB   SER 107          2HB       SER 107  -6.460   2.289 -11.553
  775    HG   SER 107           HG       SER 107  -4.750   2.321 -10.171
  776    H    ALA 108           H        ALA 108  -6.144   5.737  -9.264
  777    HA   ALA 108           HA       ALA 108  -3.984   7.342  -9.529
  778   1HB   ALA 108          2HB       ALA 108  -4.269   6.041  -6.873
  779   2HB   ALA 108          1HB       ALA 108  -5.764   6.727  -7.552
  780   3HB   ALA 108          3HB       ALA 108  -4.336   7.763  -7.318
  781    H    CYS 109           H        CYS 109  -4.057   3.833  -9.158
  782    HA   CYS 109           HA       CYS 109  -1.142   3.875  -8.867
  783   1HB   CYS 109          1HB       CYS 109  -3.089   1.655  -8.158
  784   2HB   CYS 109          2HB       CYS 109  -1.345   1.567  -8.004
  785    H    HIS 110           H        HIS 110   0.057   2.750 -10.352
  786    HA   HIS 110           HA       HIS 110   0.651   1.951 -12.417
  787   1HB   HIS 110          1HB       HIS 110  -1.928   0.312 -12.234
  788   2HB   HIS 110          2HB       HIS 110  -0.381  -0.099 -13.092
  789    HD1  HIS 110           HD1      HIS 110   1.581   0.373 -10.827
  790    HD2  HIS 110           HD2      HIS 110  -2.030  -1.677 -10.356
  791    HE1  HIS 110           HE1      HIS 110   1.890  -1.165  -8.782
  792    HA   PRO 111           HA       PRO 111  -2.336   4.705 -14.618
  793   1HB   PRO 111          1HB       PRO 111  -0.850   6.986 -14.701
  794   2HB   PRO 111          2HB       PRO 111  -1.782   6.519 -13.241
  795   1HG   PRO 111          1HG       PRO 111   1.148   6.127 -13.935
  796   2HG   PRO 111          2HG       PRO 111   0.500   6.684 -12.358
  797   1HD   PRO 111          1HD       PRO 111   1.294   4.054 -12.931
  798   2HD   PRO 111          2HD       PRO 111   0.088   4.482 -11.681
  799    H    SER 112           H        SER 112  -2.284   4.896 -16.902
  800    HA   SER 112           HA       SER 112  -1.473   4.902 -18.929
  801   1HB   SER 112          1HB       SER 112   1.415   4.773 -18.062
  802   2HB   SER 112          2HB       SER 112   0.714   5.598 -19.439
  803    HG   SER 112           HG       SER 112   1.406   6.772 -17.242

  No H/Q in entry =         803
  Start of MODEL    4
    1    H1   VAL   1           H1       VAL   1   5.626  11.841  14.394
    2    H2   VAL   1           H2       VAL   1   6.745  11.660  15.602
    3    H3   VAL   1           H3       VAL   1   6.030  13.132  15.349
    4    HA   VAL   1           HA       VAL   1   8.046  13.423  14.443
    5    HB   VAL   1           HB       VAL   1   9.173  11.484  14.411
    6   1HG1  VAL   1          1HG1      VAL   1   6.549  10.238  13.640
    7   2HG1  VAL   1          2HG1      VAL   1   8.059   9.321  13.417
    8   3HG1  VAL   1          3HG1      VAL   1   7.603   9.904  15.036
    9   1HG2  VAL   1          1HG2      VAL   1   8.976  12.503  11.953
   10   2HG2  VAL   1          2HG2      VAL   1   9.902  11.021  12.291
   11   3HG2  VAL   1          3HG2      VAL   1   8.255  10.909  11.626
   12    H    ASP   2           H        ASP   2   8.027  14.885  12.800
   13    HA   ASP   2           HA       ASP   2   5.891  15.538  11.415
   14   1HB   ASP   2          1HB       ASP   2   8.733  15.554  10.294
   15   2HB   ASP   2          2HB       ASP   2   7.417  16.546   9.699
   16    H    VAL   3           H        VAL   3   5.370  15.294   8.976
   17    HA   VAL   3           HA       VAL   3   5.692  12.487   8.249
   18    HB   VAL   3           HB       VAL   3   3.520  14.163   8.330
   19   1HG1  VAL   3          1HG1      VAL   3   4.544  15.264   6.238
   20   2HG1  VAL   3          2HG1      VAL   3   4.074  13.775   5.385
   21   3HG1  VAL   3          3HG1      VAL   3   2.832  14.781   6.169
   22   1HG2  VAL   3          1HG2      VAL   3   4.137  11.471   7.598
   23   2HG2  VAL   3          2HG2      VAL   3   2.588  12.147   8.154
   24   3HG2  VAL   3          3HG2      VAL   3   2.971  12.114   6.417
   25    HA   PRO   4           HA       PRO   4   8.298  13.488   4.851
   26   1HB   PRO   4          1HB       PRO   4   7.844  11.370   3.203
   27   2HB   PRO   4          2HB       PRO   4   8.544  11.156   4.841
   28   1HG   PRO   4          1HG       PRO   4   5.891  10.696   3.931
   29   2HG   PRO   4          2HG       PRO   4   6.698   9.716   5.198
   30   1HD   PRO   4          1HD       PRO   4   4.772  11.736   5.649
   31   2HD   PRO   4          2HD       PRO   4   5.953  11.165   6.866
   32    H    ALA   5           H        ALA   5   8.234  14.775   2.973
   33    HA   ALA   5           HA       ALA   5   5.843  15.880   2.167
   34   1HB   ALA   5          3HB       ALA   5   7.139  16.868   0.386
   35   2HB   ALA   5          2HB       ALA   5   8.363  15.580   0.489
   36   3HB   ALA   5          1HB       ALA   5   8.190  16.752   1.817
   37    H    ASP   6           H        ASP   6   5.572  15.773  -0.575
   38    HA   ASP   6           HA       ASP   6   4.705  13.018  -0.885
   39   1HB   ASP   6          1HB       ASP   6   3.888  15.314  -2.689
   40   2HB   ASP   6          2HB       ASP   6   3.018  13.829  -2.362
   41    H    GLY   7           H        GLY   7   4.551  12.581  -3.538
   42   1HA   GLY   7          2HA       GLY   7   6.876  13.667  -4.922
   43   2HA   GLY   7          1HA       GLY   7   5.603  12.666  -5.591
   44    H    ALA   8           H        ALA   8   5.850  10.800  -3.121
   45    HA   ALA   8           HA       ALA   8   8.488   9.691  -3.440
   46   1HB   ALA   8          1HB       ALA   8   6.682   9.802  -1.385
   47   2HB   ALA   8          2HB       ALA   8   6.387   8.161  -2.008
   48   3HB   ALA   8          3HB       ALA   8   8.020   8.633  -1.481
   49    H    LYS   9           H        LYS   9   8.738   7.300  -3.947
   50    HA   LYS   9           HA       LYS   9   6.662   6.315  -5.736
   51   1HB   LYS   9          1HB       LYS   9   7.871   6.358  -7.640
   52   2HB   LYS   9          2HB       LYS   9   8.687   7.694  -6.854
   53   1HG   LYS   9          1HG       LYS   9   9.611   4.789  -6.660
   54   2HG   LYS   9          2HG       LYS   9  10.247   5.938  -7.820
   55   1HD   LYS   9          1HD       LYS   9  10.271   7.052  -5.100
   56   2HD   LYS   9          2HD       LYS   9  11.149   5.537  -5.171
   57   1HE   LYS   9          1HE       LYS   9  11.631   8.023  -6.873
   58   2HE   LYS   9          2HE       LYS   9  12.713   7.333  -5.680
   59   1HZ   LYS   9          1HZ       LYS   9  12.143   5.327  -7.462
   60   2HZ   LYS   9          2HZ       LYS   9  12.434   6.649  -8.375
   61   3HZ   LYS   9          3HZ       LYS   9  13.553   6.135  -7.304
   62    H    ILE  10           H        ILE  10   6.192   4.268  -5.157
   63    HA   ILE  10           HA       ILE  10   8.206   2.847  -3.588
   64    HB   ILE  10           HB       ILE  10   5.251   2.329  -3.940
   65   1HG1  ILE  10          1HG1      ILE  10   6.727   3.576  -1.602
   66   2HG1  ILE  10          2HG1      ILE  10   5.776   4.464  -2.777
   67   1HG2  ILE  10          1HG2      ILE  10   7.289   0.603  -3.058
   68   2HG2  ILE  10          2HG2      ILE  10   6.448   1.160  -1.591
   69   3HG2  ILE  10          3HG2      ILE  10   5.529   0.386  -2.905
   70   1HD1  ILE  10          1HD1      ILE  10   4.455   2.117  -1.437
   71   2HD1  ILE  10          2HD1      ILE  10   4.710   3.590  -0.471
   72   3HD1  ILE  10          3HD1      ILE  10   3.751   3.662  -1.969
   73    H    ASP  11           H        ASP  11   9.432   1.320  -4.541
   74    HA   ASP  11           HA       ASP  11   8.230  -0.358  -6.509
   75   1HB   ASP  11          1HB       ASP  11   8.969   1.436  -7.977
   76   2HB   ASP  11          2HB       ASP  11  10.523   1.537  -7.174
   77    H    PHE  12           H        PHE  12   8.767  -2.040  -4.962
   78    HA   PHE  12           HA       PHE  12  11.597  -2.298  -4.290
   79   1HB   PHE  12          1HB       PHE  12   8.919  -3.376  -3.285
   80   2HB   PHE  12          2HB       PHE  12  10.396  -4.204  -2.833
   81    HD1  PHE  12           HD1      PHE  12  12.223  -2.786  -1.681
   82    HD2  PHE  12           HD2      PHE  12   8.182  -1.544  -2.045
   83    HE1  PHE  12           HE1      PHE  12  12.548  -1.173   0.215
   84    HE2  PHE  12           HE2      PHE  12   8.506   0.069  -0.150
   85    HZ   PHE  12           HZ       PHE  12  10.686   0.235   0.958
   86    H    ILE  13           H        ILE  13   9.595  -3.200  -6.770
   87    HA   ILE  13           HA       ILE  13  10.780  -5.880  -6.951
   88    HB   ILE  13           HB       ILE  13   8.177  -4.713  -7.796
   89   1HG1  ILE  13          1HG1      ILE  13   8.208  -7.537  -7.229
   90   2HG1  ILE  13          2HG1      ILE  13   9.096  -6.688  -5.979
   91   1HG2  ILE  13          1HG2      ILE  13   9.803  -6.603  -9.438
   92   2HG2  ILE  13          2HG2      ILE  13   8.055  -6.902  -9.287
   93   3HG2  ILE  13          3HG2      ILE  13   8.639  -5.351  -9.936
   94   1HD1  ILE  13          1HD1      ILE  13   7.090  -5.019  -5.941
   95   2HD1  ILE  13          2HD1      ILE  13   6.216  -6.278  -6.847
   96   3HD1  ILE  13          3HD1      ILE  13   6.848  -6.628  -5.220
   97    H    ALA  14           H        ALA  14  12.700  -5.712  -8.009
   98    HA   ALA  14           HA       ALA  14  13.479  -3.705  -9.682
   99   1HB   ALA  14          2HB       ALA  14  14.445  -6.402 -10.426
  100   2HB   ALA  14          3HB       ALA  14  15.352  -4.973  -9.876
  101   3HB   ALA  14          1HB       ALA  14  14.554  -6.031  -8.688
  102    H    GLY  15           H        GLY  15  13.904  -3.838 -12.110
  103   1HA   GLY  15          2HA       GLY  15  11.394  -4.400 -13.424
  104   2HA   GLY  15          1HA       GLY  15  12.708  -5.450 -13.917
  105    H    GLY  16           H        GLY  16  13.471  -4.750 -15.869
  106   1HA   GLY  16          2HA       GLY  16  14.310  -3.395 -17.452
  107   2HA   GLY  16          1HA       GLY  16  14.897  -2.378 -16.150
  108    H    GLU  17           H        GLU  17  13.896  -1.446 -18.726
  109    HA   GLU  17           HA       GLU  17  12.540   0.724 -18.060
  110   1HB   GLU  17          1HB       GLU  17  13.337   0.530 -20.294
  111   2HB   GLU  17          2HB       GLU  17  12.439  -0.945 -20.589
  112   1HG   GLU  17          1HG       GLU  17  10.291   0.328 -20.449
  113   2HG   GLU  17          2HG       GLU  17  11.183   1.804 -20.140
  114    H    LYS  18           H        LYS  18  11.226  -2.555 -18.296
  115    HA   LYS  18           HA       LYS  18   8.499  -1.590 -18.173
  116   1HB   LYS  18          1HB       LYS  18   9.649  -3.786 -19.330
  117   2HB   LYS  18          2HB       LYS  18   9.051  -4.474 -17.834
  118   1HG   LYS  18          1HG       LYS  18   6.786  -3.522 -18.293
  119   2HG   LYS  18          2HG       LYS  18   7.381  -2.814 -19.781
  120   1HD   LYS  18          1HD       LYS  18   7.297  -4.804 -20.911
  121   2HD   LYS  18          2HD       LYS  18   7.982  -5.704 -19.573
  122   1HE   LYS  18          1HE       LYS  18   5.710  -6.500 -19.903
  123   2HE   LYS  18          2HE       LYS  18   5.738  -5.594 -18.403
  124   1HZ   LYS  18          1HZ       LYS  18   5.211  -3.856 -20.522
  125   2HZ   LYS  18          2HZ       LYS  18   4.176  -5.116 -20.613
  126   3HZ   LYS  18          3HZ       LYS  18   4.259  -4.224 -19.247
  127    H    ASN  19           H        ASN  19   9.894  -0.538 -16.053
  128    HA   ASN  19           HA       ASN  19   9.584  -2.324 -13.835
  129   1HB   ASN  19          1HB       ASN  19  10.640  -0.572 -12.530
  130   2HB   ASN  19          2HB       ASN  19  11.479  -0.610 -14.068
  131   2HD2  ASN  19          1HD2      ASN  19  10.825   1.484 -11.948
  132   1HD2  ASN  19          2HD2      ASN  19  10.243   2.855 -12.833
  133    H    LEU  20           H        LEU  20   8.458  -1.169 -11.771
  134    HA   LEU  20           HA       LEU  20   6.129   0.362 -12.655
  135   1HB   LEU  20          1HB       LEU  20   5.602  -1.701 -10.617
  136   2HB   LEU  20          2HB       LEU  20   4.587  -1.094 -11.911
  137    HG   LEU  20           HG       LEU  20   6.212  -2.433 -13.470
  138   1HD1  LEU  20          1HD1      LEU  20   7.121  -3.218 -10.810
  139   2HD1  LEU  20          2HD1      LEU  20   6.653  -4.609 -11.817
  140   3HD1  LEU  20          3HD1      LEU  20   7.878  -3.458 -12.403
  141   1HD2  LEU  20          1HD2      LEU  20   3.947  -3.441 -11.787
  142   2HD2  LEU  20          2HD2      LEU  20   4.021  -3.122 -13.537
  143   3HD2  LEU  20          3HD2      LEU  20   4.812  -4.567 -12.861
  144    H    THR  21           H        THR  21   5.675   2.069 -11.335
  145    HA   THR  21           HA       THR  21   6.802   2.016  -8.630
  146    HB   THR  21           HB       THR  21   7.045   4.519 -10.313
  147    HG1  THR  21           HG1      THR  21   8.000   2.871 -11.632
  148   1HG2  THR  21          1HG2      THR  21   7.781   4.050  -7.756
  149   2HG2  THR  21          2HG2      THR  21   9.200   3.335  -8.559
  150   3HG2  THR  21          3HG2      THR  21   8.788   5.044  -8.836
  151    H    VAL  22           H        VAL  22   5.407   2.669  -7.103
  152    HA   VAL  22           HA       VAL  22   2.960   3.956  -8.088
  153    HB   VAL  22           HB       VAL  22   3.560   1.990  -5.909
  154   1HG1  VAL  22          1HG1      VAL  22   1.222   3.922  -5.964
  155   2HG1  VAL  22          2HG1      VAL  22   1.238   2.414  -5.019
  156   3HG1  VAL  22          3HG1      VAL  22   2.423   3.695  -4.671
  157   1HG2  VAL  22          1HG2      VAL  22   2.472   1.763  -8.429
  158   2HG2  VAL  22          2HG2      VAL  22   2.262   0.595  -7.103
  159   3HG2  VAL  22          3HG2      VAL  22   1.026   1.842  -7.395
  160    H    VAL  23           H        VAL  23   2.493   6.002  -7.424
  161    HA   VAL  23           HA       VAL  23   4.403   7.240  -5.625
  162    HB   VAL  23           HB       VAL  23   2.255   8.233  -7.488
  163   1HG1  VAL  23          1HG1      VAL  23   3.357   9.565  -5.118
  164   2HG1  VAL  23          2HG1      VAL  23   3.586  10.497  -6.617
  165   3HG1  VAL  23          3HG1      VAL  23   1.952   9.990  -6.125
  166   1HG2  VAL  23          1HG2      VAL  23   4.780   7.530  -8.059
  167   2HG2  VAL  23          2HG2      VAL  23   3.945   8.870  -8.880
  168   3HG2  VAL  23          3HG2      VAL  23   5.072   9.209  -7.545
  169    H    PHE  24           H        PHE  24   3.991   7.761  -3.522
  170    HA   PHE  24           HA       PHE  24   1.242   7.275  -2.615
  171   1HB   PHE  24          1HB       PHE  24   3.081   5.752  -1.760
  172   2HB   PHE  24          2HB       PHE  24   3.980   7.153  -1.213
  173    HD1  PHE  24           HD1      PHE  24   2.723   8.698   0.499
  174    HD2  PHE  24           HD2      PHE  24   1.692   4.654  -0.267
  175    HE1  PHE  24           HE1      PHE  24   1.568   8.571   2.724
  176    HE2  PHE  24           HE2      PHE  24   0.537   4.526   1.958
  177    HZ   PHE  24           HZ       PHE  24   0.489   6.486   3.427
  178    H    ASN  25           H        ASN  25   0.254   8.770  -1.190
  179    HA   ASN  25           HA       ASN  25   1.806  11.188  -0.733
  180   1HB   ASN  25          1HB       ASN  25  -1.158  11.435  -1.240
  181   2HB   ASN  25          2HB       ASN  25   0.117  12.589  -1.579
  182   2HD2  ASN  25          1HD2      ASN  25  -0.200  12.984  -3.670
  183   1HD2  ASN  25          2HD2      ASN  25  -0.113  11.821  -4.949
  184    H    HIS  26           H        HIS  26   1.782  11.638   1.388
  185    HA   HIS  26           HA       HIS  26   0.137  10.149   3.266
  186   1HB   HIS  26          1HB       HIS  26   2.348  12.210   3.358
  187   2HB   HIS  26          2HB       HIS  26   1.319  11.982   4.836
  188    HD1  HIS  26           HD1      HIS  26   3.997  10.431   2.821
  189    HD2  HIS  26           HD2      HIS  26   1.643   9.456   6.134
  190    HE1  HIS  26           HE1      HIS  26   5.116   8.387   3.921
  191    H    SER  27           H        SER  27   0.012  13.396   1.741
  192    HA   SER  27           HA       SER  27  -1.650  14.669   3.456
  193   1HB   SER  27          1HB       SER  27  -2.549  15.798   1.288
  194   2HB   SER  27          2HB       SER  27  -0.841  15.947   1.653
  195    HG   SER  27           HG       SER  27  -1.644  13.705   0.089
  196    H    THR  28           H        THR  28  -2.355  12.060   1.129
  197    HA   THR  28           HA       THR  28  -5.219  12.297   1.700
  198    HB   THR  28           HB       THR  28  -5.184  10.462  -0.191
  199    HG1  THR  28           HG1      THR  28  -3.110  10.055  -0.849
  200   1HG2  THR  28          1HG2      THR  28  -4.524  13.394  -0.445
  201   2HG2  THR  28          2HG2      THR  28  -4.305  12.380  -1.890
  202   3HG2  THR  28          3HG2      THR  28  -5.903  12.489  -1.114
  203    H    HIS  29           H        HIS  29  -2.979  11.342   3.497
  204    HA   HIS  29           HA       HIS  29  -4.457   9.005   4.529
  205   1HB   HIS  29          1HB       HIS  29  -1.483   8.861   3.781
  206   2HB   HIS  29          2HB       HIS  29  -2.435   7.589   4.660
  207    HD1  HIS  29           HD1      HIS  29  -1.227   8.435   1.441
  208    HD2  HIS  29           HD2      HIS  29  -4.709   6.622   2.875
  209    HE1  HIS  29           HE1      HIS  29  -2.235   7.143  -0.548
  210    H    LYS  30           H        LYS  30  -4.131  11.794   5.374
  211    HA   LYS  30           HA       LYS  30  -2.335  11.542   7.658
  212   1HB   LYS  30          1HB       LYS  30  -1.888  13.590   6.761
  213   2HB   LYS  30          2HB       LYS  30  -3.497  13.792   6.100
  214   1HG   LYS  30          1HG       LYS  30  -3.212  13.749   9.102
  215   2HG   LYS  30          2HG       LYS  30  -2.661  15.179   8.252
  216   1HD   LYS  30          1HD       LYS  30  -5.098  14.768   7.027
  217   2HD   LYS  30          2HD       LYS  30  -5.436  14.149   8.631
  218   1HE   LYS  30          1HE       LYS  30  -5.788  16.313   9.245
  219   2HE   LYS  30          2HE       LYS  30  -4.046  16.503   9.192
  220   1HZ   LYS  30          1HZ       LYS  30  -5.601  16.775   6.741
  221   2HZ   LYS  30          2HZ       LYS  30  -5.512  18.025   7.788
  222   3HZ   LYS  30          3HZ       LYS  30  -4.150  17.426   7.114
  223    H    ASP  31           H        ASP  31  -5.760  11.676   6.714
  224    HA   ASP  31           HA       ASP  31  -6.613  12.030   9.404
  225   1HB   ASP  31          1HB       ASP  31  -8.779  12.133   8.513
  226   2HB   ASP  31          2HB       ASP  31  -7.815  12.682   7.156
  227    H    VAL  32           H        VAL  32  -5.068   9.535   7.940
  228    HA   VAL  32           HA       VAL  32  -6.789   7.464   9.114
  229    HB   VAL  32           HB       VAL  32  -4.808   7.450   6.843
  230   1HG1  VAL  32          1HG1      VAL  32  -4.444   5.480   8.361
  231   2HG1  VAL  32          2HG1      VAL  32  -6.127   4.997   8.045
  232   3HG1  VAL  32          3HG1      VAL  32  -4.953   5.056   6.709
  233   1HG2  VAL  32          1HG2      VAL  32  -7.099   8.135   6.299
  234   2HG2  VAL  32          2HG2      VAL  32  -6.713   6.559   5.568
  235   3HG2  VAL  32          3HG2      VAL  32  -7.729   6.638   7.027
  236    H    LYS  33           H        LYS  33  -6.061   6.367  10.878
  237    HA   LYS  33           HA       LYS  33  -3.973   7.243  12.379
  238   1HB   LYS  33          1HB       LYS  33  -5.216   4.483  12.232
  239   2HB   LYS  33          2HB       LYS  33  -4.112   4.990  13.494
  240   1HG   LYS  33          1HG       LYS  33  -5.971   5.731  14.587
  241   2HG   LYS  33          2HG       LYS  33  -5.917   7.092  13.484
  242   1HD   LYS  33          1HD       LYS  33  -7.702   6.335  12.231
  243   2HD   LYS  33          2HD       LYS  33  -7.240   4.652  12.389
  244   1HE   LYS  33          1HE       LYS  33  -7.955   4.909  14.905
  245   2HE   LYS  33          2HE       LYS  33  -8.765   6.371  14.378
  246   1HZ   LYS  33          1HZ       LYS  33  -9.480   4.502  12.551
  247   2HZ   LYS  33          2HZ       LYS  33  -9.515   3.682  13.963
  248   3HZ   LYS  33          3HZ       LYS  33 -10.403   5.041  13.785
  249    H    CYS  34           H        CYS  34  -1.810   7.292  12.124
  250    HA   CYS  34           HA       CYS  34  -0.580   6.170   9.910
  251   1HB   CYS  34          1HB       CYS  34   1.029   6.735  12.356
  252   2HB   CYS  34          2HB       CYS  34   1.367   7.104  10.677
  253    H    ASP  35           H        ASP  35  -1.577   4.842  12.983
  254    HA   ASP  35           HA       ASP  35   0.360   2.801  13.097
  255   1HB   ASP  35          1HB       ASP  35  -1.112   1.841  14.844
  256   2HB   ASP  35          2HB       ASP  35  -0.871   3.558  15.098
  257    H    ASP  36           H        ASP  36  -2.433   3.426  11.166
  258    HA   ASP  36           HA       ASP  36  -3.332   0.763  10.914
  259   1HB   ASP  36          1HB       ASP  36  -5.008   1.704   9.666
  260   2HB   ASP  36          2HB       ASP  36  -4.382   3.211  10.305
  261    H    CYS  37           H        CYS  37  -0.813   2.792   9.512
  262    HA   CYS  37           HA       CYS  37  -0.384   0.797   7.410
  263   1HB   CYS  37          1HB       CYS  37   0.144   3.761   7.501
  264   2HB   CYS  37          2HB       CYS  37   1.094   2.733   6.447
  265    H    HIS  38           H        HIS  38   0.984   2.822   9.959
  266    HA   HIS  38           HA       HIS  38   3.557   1.308   9.866
  267   1HB   HIS  38          1HB       HIS  38   2.764   3.925  11.261
  268   2HB   HIS  38          2HB       HIS  38   4.407   3.152  11.310
  269    HD1  HIS  38           HD1      HIS  38   5.484   2.875   8.835
  270    HD2  HIS  38           HD2      HIS  38   2.524   5.790   9.294
  271    HE1  HIS  38           HE1      HIS  38   5.771   4.508   6.861
  272    H    HIS  39           H        HIS  39   2.823  -0.589  10.767
  273    HA   HIS  39           HA       HIS  39   1.798  -0.488  13.570
  274   1HB   HIS  39          1HB       HIS  39   0.870  -2.600  13.218
  275   2HB   HIS  39          2HB       HIS  39   0.644  -1.753  11.627
  276    HD1  HIS  39           HD1      HIS  39   2.456  -4.561  13.266
  277    HD2  HIS  39           HD2      HIS  39   2.029  -2.899   9.455
  278    HE1  HIS  39           HE1      HIS  39   3.461  -6.270  11.620
  279    H    GLN  40           H        GLN  40   4.551   0.262  13.041
  280    HA   GLN  40           HA       GLN  40   5.968  -2.088  13.999
  281   1HB   GLN  40          1HB       GLN  40   6.717   0.310  12.398
  282   2HB   GLN  40          2HB       GLN  40   7.919  -0.199  13.567
  283   1HG   GLN  40          1HG       GLN  40   6.610  -2.145  11.618
  284   2HG   GLN  40          2HG       GLN  40   8.073  -1.265  11.223
  285   2HE2  GLN  40          1HE2      GLN  40   9.675  -1.271  13.220
  286   1HE2  GLN  40          2HE2      GLN  40  10.054  -2.844  13.840
  287    HA   PRO  41           HA       PRO  41   5.608   0.014  17.954
  288   1HB   PRO  41          1HB       PRO  41   6.070  -2.220  19.465
  289   2HB   PRO  41          2HB       PRO  41   4.515  -1.941  18.616
  290   1HG   PRO  41          1HG       PRO  41   6.813  -3.359  17.939
  291   2HG   PRO  41          2HG       PRO  41   5.233  -4.166  17.673
  292   1HD   PRO  41          1HD       PRO  41   6.572  -3.146  15.578
  293   2HD   PRO  41          2HD       PRO  41   4.818  -2.819  15.716
  294    H    GLY  42           H        GLY  42   8.261  -1.987  16.592
  295   1HA   GLY  42          2HA       GLY  42  10.491  -1.786  16.805
  296   2HA   GLY  42          1HA       GLY  42  10.193  -1.707  18.530
  297    H    ASP  43           H        ASP  43  12.358  -0.315  17.680
  298    HA   ASP  43           HA       ASP  43  11.484   2.378  18.153
  299   1HB   ASP  43          1HB       ASP  43  13.387   1.455  19.438
  300   2HB   ASP  43          2HB       ASP  43  14.253   1.105  17.955
  301    H    LYS  44           H        LYS  44  10.783   1.297  15.562
  302    HA   LYS  44           HA       LYS  44  12.013   3.244  13.887
  303   1HB   LYS  44          1HB       LYS  44  12.751   0.337  13.560
  304   2HB   LYS  44          2HB       LYS  44  12.726   1.425  12.186
  305   1HG   LYS  44          1HG       LYS  44  14.150   2.993  13.850
  306   2HG   LYS  44          2HG       LYS  44  14.530   1.456  14.603
  307   1HD   LYS  44          1HD       LYS  44  15.165   2.394  11.793
  308   2HD   LYS  44          2HD       LYS  44  16.251   1.721  12.993
  309   1HE   LYS  44          1HE       LYS  44  14.599  -0.414  12.718
  310   2HE   LYS  44          2HE       LYS  44  14.354   0.302  11.137
  311   1HZ   LYS  44          1HZ       LYS  44  16.745   0.298  10.839
  312   2HZ   LYS  44          2HZ       LYS  44  16.960  -0.394  12.303
  313   3HZ   LYS  44          3HZ       LYS  44  16.191  -1.213  11.117
  314    H    GLN  45           H        GLN  45   9.525   3.458  14.488
  315    HA   GLN  45           HA       GLN  45   7.668   1.788  13.430
  316   1HB   GLN  45          1HB       GLN  45   7.240   3.776  14.906
  317   2HB   GLN  45          2HB       GLN  45   7.517   4.833  13.536
  318   1HG   GLN  45          1HG       GLN  45   5.450   4.427  12.653
  319   2HG   GLN  45          2HG       GLN  45   5.577   2.699  12.914
  320   2HE2  GLN  45          1HE2      GLN  45   4.854   1.767  14.790
  321   1HE2  GLN  45          2HE2      GLN  45   3.861   2.582  15.952
  322    H    TYR  46           H        TYR  46   9.924   3.835  11.832
  323    HA   TYR  46           HA       TYR  46   8.436   3.714   9.269
  324   1HB   TYR  46          1HB       TYR  46  10.961   5.209  10.051
  325   2HB   TYR  46          2HB       TYR  46  10.116   5.334   8.499
  326    HD1  TYR  46           HD1      TYR  46   7.284   5.432   9.377
  327    HD2  TYR  46           HD2      TYR  46  10.774   7.343  10.995
  328    HE1  TYR  46           HE1      TYR  46   5.865   7.248  10.294
  329    HE2  TYR  46           HE2      TYR  46   9.356   9.158  11.913
  330    HH   TYR  46           HH       TYR  46   5.977   8.992  12.152
  331    H    ALA  47           H        ALA  47   9.993   1.421  10.770
  332    HA   ALA  47           HA       ALA  47  12.292   0.942   9.213
  333   1HB   ALA  47          3HB       ALA  47  12.312  -0.238  11.195
  334   2HB   ALA  47          2HB       ALA  47  11.671  -1.500  10.115
  335   3HB   ALA  47          1HB       ALA  47  10.563  -0.563  11.147
  336    H    GLY  48           H        GLY  48  12.606  -0.351   7.367
  337   1HA   GLY  48          2HA       GLY  48  12.070  -1.441   5.469
  338   2HA   GLY  48          1HA       GLY  48  10.771  -0.271   5.352
  339    H    CYS  49           H        CYS  49   9.218  -1.692   4.456
  340    HA   CYS  49           HA       CYS  49   7.836  -3.258   6.369
  341   1HB   CYS  49          1HB       CYS  49   7.373  -3.194   3.386
  342   2HB   CYS  49          2HB       CYS  49   6.240  -3.670   4.635
  343    H    THR  50           H        THR  50   9.910  -3.862   3.468
  344    HA   THR  50           HA       THR  50   9.623  -6.670   3.505
  345    HB   THR  50           HB       THR  50  11.603  -6.516   1.952
  346    HG1  THR  50           HG1      THR  50  12.479  -4.322   1.745
  347   1HG2  THR  50          1HG2      THR  50   9.079  -5.154   1.603
  348   2HG2  THR  50          2HG2      THR  50  10.358  -4.120   0.924
  349   3HG2  THR  50          3HG2      THR  50  10.160  -5.789   0.340
  350    H    THR  51           H        THR  51  12.581  -4.756   4.371
  351    HA   THR  51           HA       THR  51  14.351  -5.513   5.582
  352    HB   THR  51           HB       THR  51  12.391  -5.867   7.845
  353    HG1  THR  51           HG1      THR  51  11.454  -3.911   7.338
  354   1HG2  THR  51          1HG2      THR  51  14.921  -5.428   8.119
  355   2HG2  THR  51          2HG2      THR  51  14.621  -3.821   7.414
  356   3HG2  THR  51          3HG2      THR  51  13.851  -4.275   8.953
  357    H    ASP  52           H        ASP  52  13.752  -7.244   8.099
  358    HA   ASP  52           HA       ASP  52  13.907  -9.747   6.613
  359   1HB   ASP  52          1HB       ASP  52  14.905 -10.122   9.253
  360   2HB   ASP  52          2HB       ASP  52  15.823 -10.124   7.760
  361    H    GLY  53           H        GLY  53  12.595 -11.508   7.389
  362   1HA   GLY  53          2HA       GLY  53  11.388 -11.707   9.874
  363   2HA   GLY  53          1HA       GLY  53  10.840 -12.479   8.399
  364    H    CYS  54           H        CYS  54  10.091 -10.322   6.773
  365    HA   CYS  54           HA       CYS  54   7.741  -9.439   8.219
  366   1HB   CYS  54          1HB       CYS  54   9.413  -7.419   6.701
  367   2HB   CYS  54          2HB       CYS  54   7.972  -7.119   7.653
  368    H    HIS  55           H        HIS  55   7.935  -7.511   5.647
  369    HA   HIS  55           HA       HIS  55   6.584  -9.466   3.836
  370   1HB   HIS  55          1HB       HIS  55   6.546  -6.410   3.671
  371   2HB   HIS  55          2HB       HIS  55   5.423  -7.606   2.892
  372    HD1  HIS  55           HD1      HIS  55   3.701  -8.731   4.446
  373    HD2  HIS  55           HD2      HIS  55   5.812  -5.591   6.222
  374    HE1  HIS  55           HE1      HIS  55   2.378  -8.080   6.560
  375    H    ASN  56           H        ASN  56   9.170 -10.029   3.723
  376    HA   ASN  56           HA       ASN  56  10.493  -8.329   1.846
  377   1HB   ASN  56          1HB       ASN  56  12.241 -10.253   1.958
  378   2HB   ASN  56          2HB       ASN  56  11.956  -9.362   3.440
  379   2HD2  ASN  56          1HD2      ASN  56  13.063 -11.798   3.591
  380   1HD2  ASN  56          2HD2      ASN  56  11.973 -12.968   4.255
  381    H    ILE  57           H        ILE  57   9.082 -11.669   2.034
  382    HA   ILE  57           HA       ILE  57   9.726 -12.726  -0.340
  383    HB   ILE  57           HB       ILE  57   7.117 -12.789   1.161
  384   1HG1  ILE  57          1HG1      ILE  57   9.695 -14.083   1.439
  385   2HG1  ILE  57          2HG1      ILE  57   8.329 -14.056   2.537
  386   1HG2  ILE  57          1HG2      ILE  57   7.932 -14.458  -1.233
  387   2HG2  ILE  57          2HG2      ILE  57   6.545 -14.795  -0.169
  388   3HG2  ILE  57          3HG2      ILE  57   6.582 -13.303  -1.140
  389   1HD1  ILE  57          1HD1      ILE  57   8.526 -15.875   0.092
  390   2HD1  ILE  57          2HD1      ILE  57   8.908 -16.371   1.759
  391   3HD1  ILE  57          3HD1      ILE  57   7.246 -15.901   1.329
  392    H    LEU  58           H        LEU  58   9.749 -11.958  -2.377
  393    HA   LEU  58           HA       LEU  58   7.703  -9.972  -3.061
  394   1HB   LEU  58          1HB       LEU  58  10.335 -10.512  -4.438
  395   2HB   LEU  58          2HB       LEU  58   9.219  -9.202  -4.765
  396    HG   LEU  58           HG       LEU  58  10.916  -9.594  -2.291
  397   1HD1  LEU  58          1HD1      LEU  58  11.405  -8.312  -4.753
  398   2HD1  LEU  58          2HD1      LEU  58  11.130  -7.021  -3.559
  399   3HD1  LEU  58          3HD1      LEU  58  12.384  -8.250  -3.268
  400   1HD2  LEU  58          1HD2      LEU  58   8.659  -8.785  -1.674
  401   2HD2  LEU  58          2HD2      LEU  58   9.941  -7.590  -1.360
  402   3HD2  LEU  58          3HD2      LEU  58   8.878  -7.405  -2.776
  403    H    ASP  59           H        ASP  59   6.863 -12.642  -2.908
  404    HA   ASP  59           HA       ASP  59   6.619 -13.239  -5.751
  405   1HB   ASP  59          1HB       ASP  59   6.242 -15.422  -3.720
  406   2HB   ASP  59          2HB       ASP  59   6.845 -15.532  -5.362
  407    H    LYS  60           H        LYS  60   4.495 -14.591  -6.150
  408    HA   LYS  60           HA       LYS  60   2.423 -13.592  -4.323
  409   1HB   LYS  60          1HB       LYS  60   0.991 -13.261  -6.137
  410   2HB   LYS  60          2HB       LYS  60   2.539 -12.675  -6.712
  411   1HG   LYS  60          1HG       LYS  60   2.044 -14.024  -8.514
  412   2HG   LYS  60          2HG       LYS  60   2.781 -15.254  -7.507
  413   1HD   LYS  60          1HD       LYS  60   0.299 -15.499  -6.535
  414   2HD   LYS  60          2HD       LYS  60  -0.149 -14.759  -8.059
  415   1HE   LYS  60          1HE       LYS  60   1.754 -16.738  -8.763
  416   2HE   LYS  60          2HE       LYS  60   0.768 -17.496  -7.528
  417   1HZ   LYS  60          1HZ       LYS  60  -0.973 -16.162  -9.161
  418   2HZ   LYS  60          2HZ       LYS  60   0.087 -16.877 -10.176
  419   3HZ   LYS  60          3HZ       LYS  60  -0.738 -17.776  -9.090
  420    H    ALA  61           H        ALA  61   3.759 -16.353  -6.149
  421    HA   ALA  61           HA       ALA  61   1.681 -18.148  -5.712
  422   1HB   ALA  61          3HB       ALA  61   3.069 -19.392  -6.963
  423   2HB   ALA  61          1HB       ALA  61   4.306 -18.121  -6.814
  424   3HB   ALA  61          2HB       ALA  61   4.253 -19.453  -5.635
  425    H    ASP  62           H        ASP  62   3.864 -16.621  -3.501
  426    HA   ASP  62           HA       ASP  62   3.455 -18.754  -1.575
  427   1HB   ASP  62          1HB       ASP  62   5.424 -16.497  -1.891
  428   2HB   ASP  62          2HB       ASP  62   5.054 -17.007  -0.257
  429    H    LYS  63           H        LYS  63   1.684 -18.445  -0.218
  430    HA   LYS  63           HA       LYS  63   0.379 -15.931  -0.085
  431   1HB   LYS  63          1HB       LYS  63  -0.052 -18.407   1.611
  432   2HB   LYS  63          2HB       LYS  63  -1.165 -17.069   1.409
  433   1HG   LYS  63          1HG       LYS  63  -1.982 -17.955  -0.514
  434   2HG   LYS  63          2HG       LYS  63  -0.378 -18.045  -1.213
  435   1HD   LYS  63          1HD       LYS  63  -0.180 -20.151   0.479
  436   2HD   LYS  63          2HD       LYS  63  -1.921 -20.151   0.283
  437   1HE   LYS  63          1HE       LYS  63  -0.681 -19.785  -2.320
  438   2HE   LYS  63          2HE       LYS  63   0.049 -21.170  -1.533
  439   1HZ   LYS  63          1HZ       LYS  63  -2.848 -20.759  -1.808
  440   2HZ   LYS  63          2HZ       LYS  63  -1.949 -21.730  -2.765
  441   3HZ   LYS  63          3HZ       LYS  63  -2.120 -22.078  -1.179
  442    H    SER  64           H        SER  64  -0.099 -16.629   2.976
  443    HA   SER  64           HA       SER  64   0.657 -15.977   4.908
  444   1HB   SER  64          1HB       SER  64   2.758 -17.229   4.289
  445   2HB   SER  64          2HB       SER  64   3.423 -15.742   3.641
  446    HG   SER  64           HG       SER  64   2.687 -16.283   6.387
  447    H    VAL  65           H        VAL  65   1.411 -13.959   6.101
  448    HA   VAL  65           HA       VAL  65   0.882 -11.653   4.411
  449    HB   VAL  65           HB       VAL  65   0.980 -12.071   7.402
  450   1HG1  VAL  65          1HG1      VAL  65   0.884  -9.586   5.769
  451   2HG1  VAL  65          2HG1      VAL  65  -0.242  -9.682   7.144
  452   3HG1  VAL  65          3HG1      VAL  65   1.508  -9.860   7.413
  453   1HG2  VAL  65          1HG2      VAL  65  -0.966 -12.915   5.807
  454   2HG2  VAL  65          2HG2      VAL  65  -1.316 -12.172   7.387
  455   3HG2  VAL  65          3HG2      VAL  65  -1.462 -11.208   5.898
  456    H    ASN  66           H        ASN  66   3.405 -13.026   4.037
  457    HA   ASN  66           HA       ASN  66   5.183 -11.018   5.182
  458   1HB   ASN  66          1HB       ASN  66   5.449 -13.972   4.759
  459   2HB   ASN  66          2HB       ASN  66   6.869 -13.041   4.328
  460   2HD2  ASN  66          1HD2      ASN  66   4.375 -13.095   6.877
  461   1HD2  ASN  66          2HD2      ASN  66   5.441 -12.914   8.230
  462    H    SER  67           H        SER  67   3.434 -11.515   2.525
  463    HA   SER  67           HA       SER  67   5.629 -11.217   0.643
  464   1HB   SER  67          1HB       SER  67   2.861 -12.315   0.489
  465   2HB   SER  67          2HB       SER  67   3.372 -11.400  -0.915
  466    HG   SER  67           HG       SER  67   4.024 -13.512  -1.299
  467    H    TRP  68           H        TRP  68   6.169  -9.096   0.269
  468    HA   TRP  68           HA       TRP  68   4.769  -6.898   1.020
  469   1HB   TRP  68          1HB       TRP  68   7.067  -6.802   0.328
  470   2HB   TRP  68          2HB       TRP  68   6.654  -7.266  -1.311
  471    HD1  TRP  68           HD1      TRP  68   6.780  -5.183  -2.867
  472    HE1  TRP  68           HE1      TRP  68   6.255  -2.599  -2.777
  473    HE3  TRP  68           HE3      TRP  68   5.222  -5.135   1.973
  474    HZ2  TRP  68           HZ2      TRP  68   5.269  -0.863  -0.737
  475    HZ3  TRP  68           HZ3      TRP  68   4.494  -2.954   2.937
  476    HH2  TRP  68           HH2      TRP  68   4.501  -0.867   1.665
  477    H    TYR  69           H        TYR  69   4.347  -9.015  -1.744
  478    HA   TYR  69           HA       TYR  69   2.332  -7.228  -2.959
  479   1HB   TYR  69          1HB       TYR  69   4.056  -8.336  -4.362
  480   2HB   TYR  69          2HB       TYR  69   3.433  -9.914  -3.851
  481    HD1  TYR  69           HD1      TYR  69   2.654  -6.837  -5.776
  482    HD2  TYR  69           HD2      TYR  69   1.456 -10.849  -4.820
  483    HE1  TYR  69           HE1      TYR  69   1.010  -6.787  -7.632
  484    HE2  TYR  69           HE2      TYR  69  -0.188 -10.800  -6.677
  485    HH   TYR  69           HH       TYR  69  -1.509  -8.741  -7.990
  486    H    LYS  70           H        LYS  70   1.487  -8.053  -0.414
  487    HA   LYS  70           HA       LYS  70  -0.680  -9.839  -1.199
  488   1HB   LYS  70          1HB       LYS  70   1.198 -11.139  -0.067
  489   2HB   LYS  70          2HB       LYS  70   0.832 -10.239   1.391
  490   1HG   LYS  70          1HG       LYS  70  -0.641 -11.958   1.777
  491   2HG   LYS  70          2HG       LYS  70  -1.693 -11.033   0.723
  492   1HD   LYS  70          1HD       LYS  70  -0.081 -12.524  -1.054
  493   2HD   LYS  70          2HD       LYS  70  -0.417 -13.640   0.255
  494   1HE   LYS  70          1HE       LYS  70  -2.236 -13.928  -1.268
  495   2HE   LYS  70          2HE       LYS  70  -2.898 -12.959   0.034
  496   1HZ   LYS  70          1HZ       LYS  70  -1.692 -11.501  -2.139
  497   2HZ   LYS  70          2HZ       LYS  70  -3.084 -12.280  -2.489
  498   3HZ   LYS  70          3HZ       LYS  70  -3.047 -11.173  -1.289
  499    H    VAL  71           H        VAL  71   0.669  -7.937   1.594
  500    HA   VAL  71           HA       VAL  71  -1.927  -7.232   2.490
  501    HB   VAL  71           HB       VAL  71  -0.846  -6.202   4.226
  502   1HG1  VAL  71          1HG1      VAL  71  -0.002  -8.646   3.651
  503   2HG1  VAL  71          2HG1      VAL  71   1.558  -7.813   3.450
  504   3HG1  VAL  71          3HG1      VAL  71   0.694  -7.722   5.004
  505   1HG2  VAL  71          1HG2      VAL  71   1.245  -5.441   2.199
  506   2HG2  VAL  71          2HG2      VAL  71   0.301  -4.408   3.299
  507   3HG2  VAL  71          3HG2      VAL  71   1.628  -5.408   3.937
  508    H    VAL  72           H        VAL  72  -0.173  -6.315  -0.235
  509    HA   VAL  72           HA       VAL  72  -1.061  -3.548  -0.168
  510    HB   VAL  72           HB       VAL  72   0.746  -5.201  -1.903
  511   1HG1  VAL  72          1HG1      VAL  72  -0.795  -2.784  -2.699
  512   2HG1  VAL  72          2HG1      VAL  72   0.935  -2.801  -3.118
  513   3HG1  VAL  72          3HG1      VAL  72  -0.133  -4.106  -3.691
  514   1HG2  VAL  72          1HG2      VAL  72   1.166  -3.544   0.284
  515   2HG2  VAL  72          2HG2      VAL  72   2.398  -4.085  -0.880
  516   3HG2  VAL  72          3HG2      VAL  72   1.590  -2.515  -1.106
  517    H    HIS  73           H        HIS  73  -1.583  -6.614  -1.834
  518    HA   HIS  73           HA       HIS  73  -3.958  -5.434  -3.229
  519   1HB   HIS  73          1HB       HIS  73  -2.313  -7.942  -3.885
  520   2HB   HIS  73          2HB       HIS  73  -3.714  -7.285  -4.837
  521    HD1  HIS  73           HD1      HIS  73  -0.099  -7.067  -4.415
  522    HD2  HIS  73           HD2      HIS  73  -3.105  -4.773  -6.196
  523    HE1  HIS  73           HE1      HIS  73   1.095  -5.435  -6.013
  524    H    ASP  74           H        ASP  74  -3.503  -6.622  -0.334
  525    HA   ASP  74           HA       ASP  74  -5.098  -8.955  -0.371
  526   1HB   ASP  74          1HB       ASP  74  -3.701  -7.259   1.621
  527   2HB   ASP  74          2HB       ASP  74  -5.190  -7.949   2.235
  528    H    ALA  75           H        ALA  75  -6.833  -7.661  -1.736
  529    HA   ALA  75           HA       ALA  75  -8.306  -5.578  -0.887
  530   1HB   ALA  75          1HB       ALA  75  -8.914  -8.100  -2.404
  531   2HB   ALA  75          2HB       ALA  75 -10.265  -7.029  -1.961
  532   3HB   ALA  75          3HB       ALA  75  -8.927  -6.408  -2.957
  533    H    LYS  76           H        LYS  76  -8.154  -8.823   0.524
  534    HA   LYS  76           HA       LYS  76 -10.227  -7.989   2.433
  535   1HB   LYS  76          1HB       LYS  76 -10.933  -9.886   1.047
  536   2HB   LYS  76          2HB       LYS  76  -9.502 -10.785   1.507
  537   1HG   LYS  76          1HG       LYS  76 -11.169 -11.593   2.990
  538   2HG   LYS  76          2HG       LYS  76 -10.269 -10.450   3.966
  539   1HD   LYS  76          1HD       LYS  76 -12.027  -8.970   4.103
  540   2HD   LYS  76          2HD       LYS  76 -12.517  -9.233   2.441
  541   1HE   LYS  76          1HE       LYS  76 -13.291 -11.612   3.306
  542   2HE   LYS  76          2HE       LYS  76 -13.217 -10.876   4.894
  543   1HZ   LYS  76          1HZ       LYS  76 -14.526  -9.082   3.298
  544   2HZ   LYS  76          2HZ       LYS  76 -15.154 -10.535   2.897
  545   3HZ   LYS  76          3HZ       LYS  76 -15.186 -10.032   4.450
  546    H    GLY  77           H        GLY  77  -8.701  -6.851   3.749
  547   1HA   GLY  77          2HA       GLY  77  -7.086  -6.631   5.305
  548   2HA   GLY  77          1HA       GLY  77  -6.296  -8.056   4.659
  549    H    GLY  78           H        GLY  78  -7.602  -6.831   7.433
  550   1HA   GLY  78          2HA       GLY  78  -7.739  -9.387   8.700
  551   2HA   GLY  78          1HA       GLY  78  -9.332  -8.688   8.488
  552    H    ALA  79           H        ALA  79  -6.314  -8.561  10.259
  553    HA   ALA  79           HA       ALA  79  -7.448  -7.081  12.344
  554   1HB   ALA  79          3HB       ALA  79  -5.636  -7.912  13.380
  555   2HB   ALA  79          2HB       ALA  79  -4.552  -6.975  12.324
  556   3HB   ALA  79          1HB       ALA  79  -5.107  -8.589  11.821
  557    H    LYS  80           H        LYS  80  -5.337  -6.193   9.564
  558    HA   LYS  80           HA       LYS  80  -5.994  -3.400  10.147
  559   1HB   LYS  80          1HB       LYS  80  -3.444  -4.543  10.506
  560   2HB   LYS  80          2HB       LYS  80  -3.345  -3.652   9.001
  561   1HG   LYS  80          1HG       LYS  80  -3.686  -1.600  10.021
  562   2HG   LYS  80          2HG       LYS  80  -4.775  -2.255  11.227
  563   1HD   LYS  80          1HD       LYS  80  -2.039  -3.316  11.522
  564   2HD   LYS  80          2HD       LYS  80  -2.077  -1.567  11.623
  565   1HE   LYS  80          1HE       LYS  80  -2.492  -2.155  13.854
  566   2HE   LYS  80          2HE       LYS  80  -4.126  -1.951  13.253
  567   1HZ   LYS  80          1HZ       LYS  80  -2.761  -4.547  13.241
  568   2HZ   LYS  80          2HZ       LYS  80  -3.681  -4.038  14.490
  569   3HZ   LYS  80          3HZ       LYS  80  -4.353  -4.258  13.018
  570    HA   PRO  81           HA       PRO  81  -7.295  -3.305   5.983
  571   1HB   PRO  81          1HB       PRO  81  -6.915  -0.604   5.490
  572   2HB   PRO  81          2HB       PRO  81  -8.232  -1.258   6.517
  573   1HG   PRO  81          1HG       PRO  81  -5.494  -0.051   7.500
  574   2HG   PRO  81          2HG       PRO  81  -7.226   0.185   7.902
  575   1HD   PRO  81          1HD       PRO  81  -5.519  -1.580   9.237
  576   2HD   PRO  81          2HD       PRO  81  -7.287  -1.825   9.109
  577    H    THR  82           H        THR  82  -6.450  -2.784   3.726
  578    HA   THR  82           HA       THR  82  -3.509  -2.889   3.763
  579    HB   THR  82           HB       THR  82  -3.965  -3.970   1.441
  580    HG1  THR  82           HG1      THR  82  -6.148  -4.300   1.031
  581   1HG2  THR  82          1HG2      THR  82  -4.574  -5.141   4.135
  582   2HG2  THR  82          2HG2      THR  82  -5.222  -6.034   2.738
  583   3HG2  THR  82          3HG2      THR  82  -3.472  -5.734   2.869
  584    H    CYS  83           H        CYS  83  -4.939  -2.403   0.685
  585    HA   CYS  83           HA       CYS  83  -4.621   0.484   0.926
  586   1HB   CYS  83          1HB       CYS  83  -3.300  -1.173  -1.233
  587   2HB   CYS  83          2HB       CYS  83  -3.313   0.576  -1.137
  588    H    ILE  84           H        ILE  84  -5.563  -2.403  -1.049
  589    HA   ILE  84           HA       ILE  84  -7.336  -0.840  -2.674
  590    HB   ILE  84           HB       ILE  84  -6.303  -3.590  -2.578
  591   1HG1  ILE  84          1HG1      ILE  84  -6.916  -1.501  -4.659
  592   2HG1  ILE  84          2HG1      ILE  84  -5.370  -2.197  -4.212
  593   1HG2  ILE  84          1HG2      ILE  84  -8.706  -4.035  -2.282
  594   2HG2  ILE  84          2HG2      ILE  84  -9.055  -3.074  -3.739
  595   3HG2  ILE  84          3HG2      ILE  84  -8.109  -4.576  -3.868
  596   1HD1  ILE  84          1HD1      ILE  84  -6.202  -4.437  -5.090
  597   2HD1  ILE  84          2HD1      ILE  84  -7.640  -3.586  -5.701
  598   3HD1  ILE  84          3HD1      ILE  84  -6.027  -3.174  -6.332
  599    H    SER  85           H        SER  85  -7.454  -2.656   0.348
  600    HA   SER  85           HA       SER  85 -10.162  -3.210   0.363
  601   1HB   SER  85          1HB       SER  85  -9.867  -3.357   2.856
  602   2HB   SER  85          2HB       SER  85  -8.666  -4.262   1.956
  603    HG   SER  85           HG       SER  85  -7.359  -2.129   2.168
  604    H    CYS  86           H        CYS  86  -8.678  -0.813   2.635
  605    HA   CYS  86           HA       CYS  86 -10.799   0.610   3.277
  606   1HB   CYS  86          1HB       CYS  86  -8.566   1.088   4.141
  607   2HB   CYS  86          2HB       CYS  86  -8.073   1.763   2.600
  608    H    HIS  87           H        HIS  87  -8.834   1.042   0.343
  609    HA   HIS  87           HA       HIS  87 -10.224   3.213  -0.829
  610   1HB   HIS  87          1HB       HIS  87  -8.428   0.971  -1.789
  611   2HB   HIS  87          2HB       HIS  87  -9.303   1.980  -3.019
  612    HD1  HIS  87           HD1      HIS  87  -7.642   3.454  -3.935
  613    HD2  HIS  87           HD2      HIS  87  -7.265   3.223   0.222
  614    HE1  HIS  87           HE1      HIS  87  -5.801   5.137  -3.285
  615    H    LYS  88           H        LYS  88 -10.642  -0.362  -1.540
  616    HA   LYS  88           HA       LYS  88 -12.842  -0.027  -3.187
  617   1HB   LYS  88          1HB       LYS  88 -11.615  -2.082  -3.173
  618   2HB   LYS  88          2HB       LYS  88 -11.923  -2.342  -1.468
  619   1HG   LYS  88          1HG       LYS  88 -14.370  -1.980  -3.140
  620   2HG   LYS  88          2HG       LYS  88 -13.439  -3.420  -3.502
  621   1HD   LYS  88          1HD       LYS  88 -13.417  -3.750  -0.871
  622   2HD   LYS  88          2HD       LYS  88 -14.773  -2.640  -0.894
  623   1HE   LYS  88          1HE       LYS  88 -16.169  -4.302  -1.552
  624   2HE   LYS  88          2HE       LYS  88 -15.196  -4.594  -2.980
  625   1HZ   LYS  88          1HZ       LYS  88 -13.685  -5.809  -1.317
  626   2HZ   LYS  88          2HZ       LYS  88 -15.015  -5.870  -0.372
  627   3HZ   LYS  88          3HZ       LYS  88 -15.036  -6.552  -1.855
  628    H    ASP  89           H        ASP  89 -12.650  -0.592   0.384
  629    HA   ASP  89           HA       ASP  89 -15.409  -0.634   0.722
  630   1HB   ASP  89          1HB       ASP  89 -13.605   0.422   2.893
  631   2HB   ASP  89          2HB       ASP  89 -14.937  -0.710   3.022
  632    H    LYS  90           H        LYS  90 -13.141   1.893   0.016
  633    HA   LYS  90           HA       LYS  90 -14.992   3.929   1.039
  634   1HB   LYS  90          1HB       LYS  90 -12.012   4.035   0.501
  635   2HB   LYS  90          2HB       LYS  90 -12.987   5.455   0.823
  636   1HG   LYS  90          1HG       LYS  90 -13.008   3.065   2.708
  637   2HG   LYS  90          2HG       LYS  90 -11.788   4.316   2.840
  638   1HD   LYS  90          1HD       LYS  90 -13.688   6.029   2.974
  639   2HD   LYS  90          2HD       LYS  90 -14.810   4.685   3.066
  640   1HE   LYS  90          1HE       LYS  90 -13.429   3.835   5.078
  641   2HE   LYS  90          2HE       LYS  90 -12.598   5.378   5.048
  642   1HZ   LYS  90          1HZ       LYS  90 -14.792   6.433   5.232
  643   2HZ   LYS  90          2HZ       LYS  90 -15.482   4.964   5.410
  644   3HZ   LYS  90          3HZ       LYS  90 -14.422   5.509   6.526
  645    H    ALA  91           H        ALA  91 -15.458   2.338  -1.374
  646    HA   ALA  91           HA       ALA  91 -15.408   4.559  -3.281
  647   1HB   ALA  91          1HB       ALA  91 -14.139   1.889  -3.520
  648   2HB   ALA  91          3HB       ALA  91 -13.787   3.406  -4.383
  649   3HB   ALA  91          2HB       ALA  91 -15.138   2.374  -4.911
  650    H    GLY  92           H        GLY  92 -17.389   3.346  -1.317
  651   1HA   GLY  92          2HA       GLY  92 -19.730   3.654  -2.516
  652   2HA   GLY  92          1HA       GLY  92 -19.473   2.418  -1.299
  653    H    ASP  93           H        ASP  93 -21.032   2.710  -4.052
  654    HA   ASP  93           HA       ASP  93 -20.184   0.082  -4.979
  655   1HB   ASP  93          1HB       ASP  93 -22.545  -0.045  -5.918
  656   2HB   ASP  93          2HB       ASP  93 -22.450  -0.011  -4.169
  657    H    ASP  94           H        ASP  94 -20.421   3.463  -5.684
  658    HA   ASP  94           HA       ASP  94 -20.988   3.396  -8.392
  659   1HB   ASP  94          1HB       ASP  94 -19.490   5.316  -6.580
  660   2HB   ASP  94          2HB       ASP  94 -19.552   5.619  -8.305
  661    H    LYS  95           H        LYS  95 -19.712   1.690  -9.394
  662    HA   LYS  95           HA       LYS  95 -17.096   1.119  -9.029
  663   1HB   LYS  95          1HB       LYS  95 -19.064   0.781 -11.192
  664   2HB   LYS  95          2HB       LYS  95 -17.402   0.767 -11.745
  665   1HG   LYS  95          1HG       LYS  95 -17.568  -1.463 -11.161
  666   2HG   LYS  95          2HG       LYS  95 -17.080  -0.836  -9.599
  667   1HD   LYS  95          1HD       LYS  95 -19.355  -0.819  -8.780
  668   2HD   LYS  95          2HD       LYS  95 -20.014  -1.064 -10.385
  669   1HE   LYS  95          1HE       LYS  95 -18.598  -3.303 -10.349
  670   2HE   LYS  95          2HE       LYS  95 -18.572  -3.061  -8.614
  671   1HZ   LYS  95          1HZ       LYS  95 -21.153  -2.723  -9.787
  672   2HZ   LYS  95          2HZ       LYS  95 -20.553  -4.233  -9.953
  673   3HZ   LYS  95          3HZ       LYS  95 -20.712  -3.576  -8.466
  674    H    GLU  96           H        GLU  96 -18.491   4.005 -10.481
  675    HA   GLU  96           HA       GLU  96 -16.395   4.802 -12.051
  676   1HB   GLU  96          1HB       GLU  96 -18.424   6.025 -12.213
  677   2HB   GLU  96          2HB       GLU  96 -18.510   6.303 -10.484
  678   1HG   GLU  96          1HG       GLU  96 -16.563   7.825 -10.590
  679   2HG   GLU  96          2HG       GLU  96 -16.351   7.482 -12.296
  680    H    LEU  97           H        LEU  97 -16.839   4.941  -8.509
  681    HA   LEU  97           HA       LEU  97 -14.476   6.569  -8.180
  682   1HB   LEU  97          1HB       LEU  97 -16.808   6.190  -6.749
  683   2HB   LEU  97          2HB       LEU  97 -15.622   5.309  -5.805
  684    HG   LEU  97           HG       LEU  97 -15.191   8.170  -6.683
  685   1HD1  LEU  97          1HD1      LEU  97 -16.983   7.125  -4.618
  686   2HD1  LEU  97          2HD1      LEU  97 -15.791   8.292  -3.997
  687   3HD1  LEU  97          3HD1      LEU  97 -16.872   8.750  -5.335
  688   1HD2  LEU  97          1HD2      LEU  97 -13.912   6.459  -4.535
  689   2HD2  LEU  97          2HD2      LEU  97 -13.164   7.018  -6.050
  690   3HD2  LEU  97          3HD2      LEU  97 -13.601   8.193  -4.786
  691    H    LYS  98           H        LYS  98 -15.154   3.318  -8.844
  692    HA   LYS  98           HA       LYS  98 -13.040   2.253  -7.190
  693   1HB   LYS  98          1HB       LYS  98 -14.882   0.992  -9.241
  694   2HB   LYS  98          2HB       LYS  98 -13.663   0.111  -8.343
  695   1HG   LYS  98          1HG       LYS  98 -15.615   1.827  -6.802
  696   2HG   LYS  98          2HG       LYS  98 -16.182   0.299  -7.448
  697   1HD   LYS  98          1HD       LYS  98 -13.593   0.420  -5.865
  698   2HD   LYS  98          2HD       LYS  98 -15.133   0.364  -5.030
  699   1HE   LYS  98          1HE       LYS  98 -14.794  -1.638  -7.229
  700   2HE   LYS  98          2HE       LYS  98 -13.754  -1.867  -5.838
  701   1HZ   LYS  98          1HZ       LYS  98 -16.345  -1.264  -4.980
  702   2HZ   LYS  98          2HZ       LYS  98 -16.415  -2.500  -6.045
  703   3HZ   LYS  98          3HZ       LYS  98 -15.473  -2.620  -4.716
  704    H    LYS  99           H        LYS  99 -13.611   3.361 -10.523
  705    HA   LYS  99           HA       LYS  99 -11.478   2.164 -11.784
  706   1HB   LYS  99          1HB       LYS  99 -13.096   4.638 -12.205
  707   2HB   LYS  99          2HB       LYS  99 -11.605   4.483 -13.112
  708   1HG   LYS  99          1HG       LYS  99 -12.312   2.402 -14.120
  709   2HG   LYS  99          2HG       LYS  99 -13.645   2.225 -12.997
  710   1HD   LYS  99          1HD       LYS  99 -14.819   3.083 -14.802
  711   2HD   LYS  99          2HD       LYS  99 -14.387   4.593 -14.024
  712   1HE   LYS  99          1HE       LYS  99 -12.808   5.146 -15.638
  713   2HE   LYS  99          2HE       LYS  99 -12.365   3.477 -15.938
  714   1HZ   LYS  99          1HZ       LYS  99 -14.999   3.761 -16.693
  715   2HZ   LYS  99          2HZ       LYS  99 -14.208   5.048 -17.315
  716   3HZ   LYS  99          3HZ       LYS  99 -13.705   3.533 -17.663
  717    H    LYS 100           H        LYS 100 -11.601   5.034  -9.637
  718    HA   LYS 100           HA       LYS 100  -8.667   5.100  -9.792
  719   1HB   LYS 100          1HB       LYS 100 -10.426   7.138 -10.425
  720   2HB   LYS 100          2HB       LYS 100  -9.993   7.512  -8.769
  721   1HG   LYS 100          1HG       LYS 100  -7.578   7.380  -9.344
  722   2HG   LYS 100          2HG       LYS 100  -7.976   6.928 -10.989
  723   1HD   LYS 100          1HD       LYS 100  -7.425   9.392 -10.672
  724   2HD   LYS 100          2HD       LYS 100  -8.961   9.083 -11.456
  725   1HE   LYS 100          1HE       LYS 100  -9.072   9.254  -8.472
  726   2HE   LYS 100          2HE       LYS 100  -8.648  10.747  -9.288
  727   1HZ   LYS 100          1HZ       LYS 100 -10.714   9.690 -10.724
  728   2HZ   LYS 100          2HZ       LYS 100 -11.141   9.460  -9.165
  729   3HZ   LYS 100          3HZ       LYS 100 -10.786  10.961  -9.701
  730    H    LEU 101           H        LEU 101  -8.347   3.524  -8.164
  731    HA   LEU 101           HA       LEU 101  -7.905   4.263  -5.676
  732   1HB   LEU 101          1HB       LEU 101 -10.818   4.080  -6.054
  733   2HB   LEU 101          2HB       LEU 101 -10.209   3.201  -4.666
  734    HG   LEU 101           HG       LEU 101 -10.772   5.961  -4.885
  735   1HD1  LEU 101          1HD1      LEU 101  -9.948   4.014  -2.827
  736   2HD1  LEU 101          2HD1      LEU 101  -9.581   5.715  -2.454
  737   3HD1  LEU 101          3HD1      LEU 101 -11.253   5.225  -2.818
  738   1HD2  LEU 101          1HD2      LEU 101  -8.431   6.102  -5.841
  739   2HD2  LEU 101          2HD2      LEU 101  -8.757   7.105  -4.408
  740   3HD2  LEU 101          3HD2      LEU 101  -7.842   5.588  -4.242
  741    H    THR 102           H        THR 102  -9.246   1.858  -7.880
  742    HA   THR 102           HA       THR 102  -7.625  -0.161  -6.510
  743    HB   THR 102           HB       THR 102  -9.487  -1.762  -6.630
  744    HG1  THR 102           HG1      THR 102 -10.698  -1.145  -8.417
  745   1HG2  THR 102          1HG2      THR 102  -9.511   0.121  -4.758
  746   2HG2  THR 102          2HG2      THR 102 -10.874   0.774  -5.699
  747   3HG2  THR 102          3HG2      THR 102 -10.972  -0.865  -5.012
  748    H    GLY 103           H        GLY 103  -9.487   0.820  -9.438
  749   1HA   GLY 103          2HA       GLY 103  -8.829   0.715 -11.606
  750   2HA   GLY 103          1HA       GLY 103  -8.787  -1.004 -11.269
  751    H    CYS 104           H        CYS 104  -7.068  -1.031 -12.981
  752    HA   CYS 104           HA       CYS 104  -4.488  -0.455 -11.735
  753   1HB   CYS 104          1HB       CYS 104  -4.614  -2.173 -14.143
  754   2HB   CYS 104          2HB       CYS 104  -3.615  -2.302 -12.708
  755    H    LYS 105           H        LYS 105  -5.621  -0.897 -15.160
  756    HA   LYS 105           HA       LYS 105  -3.948   1.256 -16.014
  757   1HB   LYS 105          1HB       LYS 105  -4.131  -0.628 -17.454
  758   2HB   LYS 105          2HB       LYS 105  -5.883  -0.600 -17.411
  759   1HG   LYS 105          1HG       LYS 105  -5.632   1.831 -18.409
  760   2HG   LYS 105          2HG       LYS 105  -4.003   1.328 -18.813
  761   1HD   LYS 105          1HD       LYS 105  -5.765  -0.804 -19.604
  762   2HD   LYS 105          2HD       LYS 105  -6.478   0.691 -20.176
  763   1HE   LYS 105          1HE       LYS 105  -4.795  -0.449 -21.761
  764   2HE   LYS 105          2HE       LYS 105  -4.548   1.262 -21.472
  765   1HZ   LYS 105          1HZ       LYS 105  -3.226  -0.479 -19.615
  766   2HZ   LYS 105          2HZ       LYS 105  -2.676  -0.574 -21.150
  767   3HZ   LYS 105          3HZ       LYS 105  -2.669   0.859 -20.368
  768    H    GLY 106           H        GLY 106  -4.617   3.185 -15.056
  769   1HA   GLY 106          2HA       GLY 106  -7.296   4.105 -15.909
  770   2HA   GLY 106          1HA       GLY 106  -5.877   5.124 -15.759
  771    H    SER 107           H        SER 107  -4.938   3.743 -13.244
  772    HA   SER 107           HA       SER 107  -6.859   5.044 -11.488
  773   1HB   SER 107          1HB       SER 107  -7.360   3.082 -10.493
  774   2HB   SER 107          2HB       SER 107  -6.287   2.233 -11.588
  775    HG   SER 107           HG       SER 107  -4.793   2.072 -10.050
  776    H    ALA 108           H        ALA 108  -5.836   5.634  -9.314
  777    HA   ALA 108           HA       ALA 108  -3.514   7.070  -9.687
  778   1HB   ALA 108          2HB       ALA 108  -3.669   6.479  -6.944
  779   2HB   ALA 108          1HB       ALA 108  -5.347   6.372  -7.528
  780   3HB   ALA 108          3HB       ALA 108  -4.411   7.864  -7.781
  781    H    CYS 109           H        CYS 109  -3.982   3.650  -9.219
  782    HA   CYS 109           HA       CYS 109  -1.133   3.384  -8.589
  783   1HB   CYS 109          1HB       CYS 109  -3.469   1.562  -7.958
  784   2HB   CYS 109          2HB       CYS 109  -1.802   1.031  -7.857
  785    H    HIS 110           H        HIS 110   0.046   2.782 -10.262
  786    HA   HIS 110           HA       HIS 110   0.775   1.802 -12.202
  787   1HB   HIS 110          1HB       HIS 110  -1.778   0.117 -12.167
  788   2HB   HIS 110          2HB       HIS 110  -0.164  -0.271 -12.905
  789    HD1  HIS 110           HD1      HIS 110   1.494   0.438 -10.351
  790    HD2  HIS 110           HD2      HIS 110  -1.860  -2.054 -10.443
  791    HE1  HIS 110           HE1      HIS 110   1.707  -1.129  -8.316
  792    HA   PRO 111           HA       PRO 111  -2.100   4.512 -14.566
  793   1HB   PRO 111          1HB       PRO 111  -0.561   6.756 -14.682
  794   2HB   PRO 111          2HB       PRO 111  -1.527   6.348 -13.226
  795   1HG   PRO 111          1HG       PRO 111   1.225   5.964 -13.860
  796   2HG   PRO 111          2HG       PRO 111   0.767   6.454 -12.196
  797   1HD   PRO 111          1HD       PRO 111   1.505   3.871 -12.888
  798   2HD   PRO 111          2HD       PRO 111   0.331   4.221 -11.584
  799    H    SER 112           H        SER 112  -2.006   4.630 -16.853
  800    HA   SER 112           HA       SER 112  -1.260   4.176 -18.842
  801   1HB   SER 112          1HB       SER 112   0.587   5.416 -19.608
  802   2HB   SER 112          2HB       SER 112   0.104   6.294 -18.170
  803    HG   SER 112           HG       SER 112   2.378   5.983 -18.143

  No H/Q in entry =         803
  Start of MODEL    5
    1    H1   VAL   1           H1       VAL   1   5.684  12.466  14.480
    2    H2   VAL   1           H2       VAL   1   6.557  11.070  14.303
    3    H3   VAL   1           H3       VAL   1   6.659  11.938  15.710
    4    HA   VAL   1           HA       VAL   1   7.748  13.686  14.728
    5    HB   VAL   1           HB       VAL   1   9.691  12.636  14.811
    6   1HG1  VAL   1          1HG1      VAL   1   8.298  11.053  16.139
    7   2HG1  VAL   1          2HG1      VAL   1   8.122  10.038  14.687
    8   3HG1  VAL   1          3HG1      VAL   1   9.730  10.289  15.408
    9   1HG2  VAL   1          1HG2      VAL   1   8.780  11.096  12.363
   10   2HG2  VAL   1          2HG2      VAL   1   9.891  12.485  12.434
   11   3HG2  VAL   1          3HG2      VAL   1  10.389  10.912  13.100
   12    H    ASP   2           H        ASP   2   8.333  14.924  12.884
   13    HA   ASP   2           HA       ASP   2   6.616  15.222  10.947
   14   1HB   ASP   2          1HB       ASP   2   9.630  15.272  10.452
   15   2HB   ASP   2          2HB       ASP   2   8.429  16.163   9.539
   16    H    VAL   3           H        VAL   3   6.467  14.529   8.623
   17    HA   VAL   3           HA       VAL   3   7.526  11.812   8.259
   18    HB   VAL   3           HB       VAL   3   5.379  12.412   6.479
   19   1HG1  VAL   3          1HG1      VAL   3   6.319  10.297   8.054
   20   2HG1  VAL   3          2HG1      VAL   3   4.688  10.640   8.679
   21   3HG1  VAL   3          3HG1      VAL   3   4.922  10.276   6.952
   22   1HG2  VAL   3          1HG2      VAL   3   4.839  13.102   9.382
   23   2HG2  VAL   3          2HG2      VAL   3   4.573  14.118   7.944
   24   3HG2  VAL   3          3HG2      VAL   3   3.562  12.679   8.216
   25    HA   PRO   4           HA       PRO   4   9.427  13.147   4.516
   26   1HB   PRO   4          1HB       PRO   4   9.083  11.047   2.819
   27   2HB   PRO   4          2HB       PRO   4   9.983  10.875   4.361
   28   1HG   PRO   4          1HG       PRO   4   7.422  10.302   3.644
   29   2HG   PRO   4          2HG       PRO   4   8.197   9.108   4.736
   30   1HD   PRO   4          1HD       PRO   4   6.303  10.865   5.632
   31   2HD   PRO   4          2HD       PRO   4   7.715  10.442   6.647
   32    H    ALA   5           H        ALA   5   8.984  14.479   2.723
   33    HA   ALA   5           HA       ALA   5   6.411  15.297   2.232
   34   1HB   ALA   5          1HB       ALA   5   8.609  16.418   1.624
   35   2HB   ALA   5          3HB       ALA   5   7.353  16.482   0.365
   36   3HB   ALA   5          2HB       ALA   5   8.694  15.321   0.225
   37    H    ASP   6           H        ASP   6   5.665  15.209  -0.356
   38    HA   ASP   6           HA       ASP   6   4.976  12.432  -0.622
   39   1HB   ASP   6          1HB       ASP   6   4.069  14.523  -2.589
   40   2HB   ASP   6          2HB       ASP   6   3.177  13.165  -1.933
   41    H    GLY   7           H        GLY   7   4.818  11.717  -3.144
   42   1HA   GLY   7          2HA       GLY   7   6.979  12.816  -4.762
   43   2HA   GLY   7          1HA       GLY   7   5.765  11.650  -5.247
   44    H    ALA   8           H        ALA   8   6.306  10.126  -2.578
   45    HA   ALA   8           HA       ALA   8   8.992   9.149  -3.037
   46   1HB   ALA   8          1HB       ALA   8   7.733   9.601  -0.765
   47   2HB   ALA   8          2HB       ALA   8   7.032   7.991  -1.060
   48   3HB   ALA   8          3HB       ALA   8   8.797   8.182  -0.925
   49    H    LYS   9           H        LYS   9   8.673   8.281  -5.202
   50    HA   LYS   9           HA       LYS   9   6.681   6.477  -5.862
   51   1HB   LYS   9          1HB       LYS   9   7.832   6.186  -7.832
   52   2HB   LYS   9          2HB       LYS   9   8.460   7.733  -7.302
   53   1HG   LYS   9          1HG       LYS   9   9.822   5.063  -6.716
   54   2HG   LYS   9          2HG       LYS   9  10.234   6.085  -8.078
   55   1HD   LYS   9          1HD       LYS   9  10.555   7.981  -6.287
   56   2HD   LYS   9          2HD       LYS   9  10.580   6.677  -5.117
   57   1HE   LYS   9          1HE       LYS   9  12.389   5.583  -6.666
   58   2HE   LYS   9          2HE       LYS   9  12.509   7.160  -7.420
   59   1HZ   LYS   9          1HZ       LYS   9  12.552   7.377  -4.612
   60   2HZ   LYS   9          2HZ       LYS   9  13.729   6.369  -5.125
   61   3HZ   LYS   9          3HZ       LYS   9  13.652   7.895  -5.702
   62    H    ILE  10           H        ILE  10   6.234   4.427  -5.250
   63    HA   ILE  10           HA       ILE  10   8.278   3.074  -3.660
   64    HB   ILE  10           HB       ILE  10   5.314   2.563  -3.935
   65   1HG1  ILE  10          1HG1      ILE  10   6.862   3.852  -1.668
   66   2HG1  ILE  10          2HG1      ILE  10   5.883   4.716  -2.837
   67   1HG2  ILE  10          1HG2      ILE  10   6.611   0.529  -3.423
   68   2HG2  ILE  10          2HG2      ILE  10   7.314   1.349  -2.009
   69   3HG2  ILE  10          3HG2      ILE  10   5.564   1.030  -2.073
   70   1HD1  ILE  10          1HD1      ILE  10   4.041   2.888  -2.053
   71   2HD1  ILE  10          2HD1      ILE  10   5.027   2.951  -0.572
   72   3HD1  ILE  10          3HD1      ILE  10   4.275   4.435  -1.204
   73    H    ASP  11           H        ASP  11   9.530   1.583  -4.633
   74    HA   ASP  11           HA       ASP  11   8.289  -0.218  -6.471
   75   1HB   ASP  11          1HB       ASP  11   8.976   1.608  -7.984
   76   2HB   ASP  11          2HB       ASP  11  10.590   1.610  -7.301
   77    H    PHE  12           H        PHE  12   8.915  -1.672  -4.663
   78    HA   PHE  12           HA       PHE  12  11.781  -1.916  -4.203
   79   1HB   PHE  12          1HB       PHE  12   9.192  -2.973  -2.944
   80   2HB   PHE  12          2HB       PHE  12  10.745  -3.627  -2.464
   81    HD1  PHE  12           HD1      PHE  12  12.477  -2.008  -1.511
   82    HD2  PHE  12           HD2      PHE  12   8.384  -0.992  -1.983
   83    HE1  PHE  12           HE1      PHE  12  12.748  -0.147   0.151
   84    HE2  PHE  12           HE2      PHE  12   8.655   0.869  -0.320
   85    HZ   PHE  12           HZ       PHE  12  10.833   1.270   0.726
   86    H    ILE  13           H        ILE  13   9.261  -3.264  -6.131
   87    HA   ILE  13           HA       ILE  13  10.720  -5.798  -6.352
   88    HB   ILE  13           HB       ILE  13   7.905  -5.105  -7.199
   89   1HG1  ILE  13          1HG1      ILE  13   8.922  -6.617  -4.776
   90   2HG1  ILE  13          2HG1      ILE  13   8.114  -5.062  -4.773
   91   1HG2  ILE  13          1HG2      ILE  13   9.438  -7.030  -8.296
   92   2HG2  ILE  13          2HG2      ILE  13   8.786  -7.919  -6.898
   93   3HG2  ILE  13          3HG2      ILE  13   7.677  -7.174  -8.074
   94   1HD1  ILE  13          1HD1      ILE  13   6.682  -7.291  -6.176
   95   2HD1  ILE  13          2HD1      ILE  13   6.787  -7.392  -4.402
   96   3HD1  ILE  13          3HD1      ILE  13   6.029  -5.976  -5.169
   97    H    ALA  14           H        ALA  14  11.882  -6.228  -8.163
   98    HA   ALA  14           HA       ALA  14  12.655  -4.378  -9.937
   99   1HB   ALA  14          2HB       ALA  14  12.287  -6.989 -11.225
  100   2HB   ALA  14          3HB       ALA  14  13.787  -6.128 -10.804
  101   3HB   ALA  14          1HB       ALA  14  12.961  -7.126  -9.583
  102    H    GLY  15           H        GLY  15   9.729  -6.483 -10.199
  103   1HA   GLY  15          2HA       GLY  15   8.234  -4.548 -11.579
  104   2HA   GLY  15          1HA       GLY  15   7.851  -6.250 -11.410
  105    H    GLY  16           H        GLY  16   7.014  -6.053 -13.667
  106   1HA   GLY  16          2HA       GLY  16   7.201  -6.482 -15.865
  107   2HA   GLY  16          1HA       GLY  16   8.800  -7.121 -15.542
  108    H    GLU  17           H        GLU  17   8.701  -5.951 -17.913
  109    HA   GLU  17           HA       GLU  17  10.611  -4.134 -17.996
  110   1HB   GLU  17          1HB       GLU  17   9.888  -4.995 -20.067
  111   2HB   GLU  17          2HB       GLU  17   8.212  -4.571 -19.781
  112   1HG   GLU  17          1HG       GLU  17   8.494  -2.378 -20.471
  113   2HG   GLU  17          2HG       GLU  17  10.126  -2.272 -19.843
  114    H    LYS  18           H        LYS  18   7.381  -2.811 -18.877
  115    HA   LYS  18           HA       LYS  18   7.848  -0.239 -18.293
  116   1HB   LYS  18          1HB       LYS  18   5.393  -1.941 -18.275
  117   2HB   LYS  18          2HB       LYS  18   5.261  -0.323 -17.618
  118   1HG   LYS  18          1HG       LYS  18   5.100   0.470 -19.735
  119   2HG   LYS  18          2HG       LYS  18   6.767  -0.005 -19.998
  120   1HD   LYS  18          1HD       LYS  18   6.182  -1.820 -21.265
  121   2HD   LYS  18          2HD       LYS  18   4.894  -2.288 -20.174
  122   1HE   LYS  18          1HE       LYS  18   3.295  -0.940 -21.249
  123   2HE   LYS  18          2HE       LYS  18   4.491   0.190 -21.851
  124   1HZ   LYS  18          1HZ       LYS  18   5.045  -2.299 -22.934
  125   2HZ   LYS  18          2HZ       LYS  18   3.446  -2.031 -23.135
  126   3HZ   LYS  18          3HZ       LYS  18   4.533  -0.957 -23.710
  127    H    ASN  19           H        ASN  19   9.088   0.345 -16.537
  128    HA   ASN  19           HA       ASN  19   9.233  -0.712 -14.135
  129   1HB   ASN  19          1HB       ASN  19  10.336   1.455 -15.080
  130   2HB   ASN  19          2HB       ASN  19   8.941   2.313 -14.455
  131   2HD2  ASN  19          1HD2      ASN  19  11.919   2.093 -13.786
  132   1HD2  ASN  19          2HD2      ASN  19  11.977   1.903 -12.066
  133    H    LEU  20           H        LEU  20   7.914  -0.920 -12.283
  134    HA   LEU  20           HA       LEU  20   5.280   0.359 -12.460
  135   1HB   LEU  20          1HB       LEU  20   6.179  -2.150 -11.038
  136   2HB   LEU  20          2HB       LEU  20   4.580  -1.447 -10.898
  137    HG   LEU  20           HG       LEU  20   5.790  -2.398 -13.508
  138   1HD1  LEU  20          1HD1      LEU  20   5.482  -4.232 -11.841
  139   2HD1  LEU  20          2HD1      LEU  20   3.747  -3.836 -11.796
  140   3HD1  LEU  20          3HD1      LEU  20   4.492  -4.403 -13.310
  141   1HD2  LEU  20          1HD2      LEU  20   3.198  -1.143 -12.744
  142   2HD2  LEU  20          2HD2      LEU  20   4.162  -0.985 -14.232
  143   3HD2  LEU  20          3HD2      LEU  20   3.166  -2.436 -13.967
  144    H    THR  21           H        THR  21   5.725   2.375 -11.540
  145    HA   THR  21           HA       THR  21   6.698   2.255  -8.760
  146    HB   THR  21           HB       THR  21   6.853   4.798 -10.346
  147    HG1  THR  21           HG1      THR  21   7.998   3.742 -11.915
  148   1HG2  THR  21          1HG2      THR  21   7.899   4.189  -7.974
  149   2HG2  THR  21          2HG2      THR  21   9.127   3.349  -8.951
  150   3HG2  THR  21          3HG2      THR  21   8.875   5.100  -9.150
  151    H    VAL  22           H        VAL  22   5.475   3.110  -7.153
  152    HA   VAL  22           HA       VAL  22   2.962   4.355  -8.035
  153    HB   VAL  22           HB       VAL  22   3.600   2.310  -5.949
  154   1HG1  VAL  22          1HG1      VAL  22   1.380   4.364  -5.773
  155   2HG1  VAL  22          2HG1      VAL  22   1.327   2.799  -4.927
  156   3HG1  VAL  22          3HG1      VAL  22   2.616   3.969  -4.556
  157   1HG2  VAL  22          1HG2      VAL  22   2.239   2.333  -8.406
  158   2HG2  VAL  22          2HG2      VAL  22   2.285   1.017  -7.208
  159   3HG2  VAL  22          3HG2      VAL  22   0.968   2.214  -7.166
  160    H    VAL  23           H        VAL  23   2.517   6.377  -7.265
  161    HA   VAL  23           HA       VAL  23   4.539   7.550  -5.540
  162    HB   VAL  23           HB       VAL  23   2.315   8.628  -7.264
  163   1HG1  VAL  23          1HG1      VAL  23   3.914  10.017  -5.125
  164   2HG1  VAL  23          2HG1      VAL  23   3.399  10.907  -6.578
  165   3HG1  VAL  23          3HG1      VAL  23   2.184  10.154  -5.518
  166   1HG2  VAL  23          1HG2      VAL  23   4.679   7.859  -8.109
  167   2HG2  VAL  23          2HG2      VAL  23   3.972   9.384  -8.694
  168   3HG2  VAL  23          3HG2      VAL  23   5.214   9.410  -7.419
  169    H    PHE  24           H        PHE  24   4.207   8.129  -3.424
  170    HA   PHE  24           HA       PHE  24   1.471   7.762  -2.425
  171   1HB   PHE  24          1HB       PHE  24   2.997   5.923  -1.722
  172   2HB   PHE  24          2HB       PHE  24   4.233   7.077  -1.262
  173    HD1  PHE  24           HD1      PHE  24   3.554   8.769   0.622
  174    HD2  PHE  24           HD2      PHE  24   1.571   5.087  -0.098
  175    HE1  PHE  24           HE1      PHE  24   2.658   8.792   2.967
  176    HE2  PHE  24           HE2      PHE  24   0.675   5.110   2.246
  177    HZ   PHE  24           HZ       PHE  24   1.229   6.963   3.751
  178    H    ASN  25           H        ASN  25   0.751   9.223  -0.805
  179    HA   ASN  25           HA       ASN  25   2.626  11.362  -0.206
  180   1HB   ASN  25          1HB       ASN  25  -0.278  12.072  -0.591
  181   2HB   ASN  25          2HB       ASN  25   1.144  13.054  -0.881
  182   2HD2  ASN  25          1HD2      ASN  25   0.909  13.664  -2.920
  183   1HD2  ASN  25          2HD2      ASN  25   0.767  12.617  -4.293
  184    H    HIS  26           H        HIS  26   2.669  11.696   1.940
  185    HA   HIS  26           HA       HIS  26   0.947  10.229   3.754
  186   1HB   HIS  26          1HB       HIS  26   3.322  12.075   3.898
  187   2HB   HIS  26          2HB       HIS  26   2.288  11.934   5.384
  188    HD1  HIS  26           HD1      HIS  26   4.790  10.158   3.336
  189    HD2  HIS  26           HD2      HIS  26   2.344   9.355   6.629
  190    HE1  HIS  26           HE1      HIS  26   5.697   7.990   4.393
  191    H    SER  27           H        SER  27   0.569  13.190   2.023
  192    HA   SER  27           HA       SER  27  -1.012  14.430   4.061
  193   1HB   SER  27          1HB       SER  27  -1.415  16.166   2.287
  194   2HB   SER  27          2HB       SER  27   0.283  15.880   2.610
  195    HG   SER  27           HG       SER  27  -0.988  15.714   0.248
  196    H    THR  28           H        THR  28  -1.414  12.024   1.629
  197    HA   THR  28           HA       THR  28  -4.295  12.568   1.425
  198    HB   THR  28           HB       THR  28  -4.078  10.927  -0.520
  199    HG1  THR  28           HG1      THR  28  -1.858  10.357  -1.006
  200   1HG2  THR  28          1HG2      THR  28  -2.140  13.302  -0.559
  201   2HG2  THR  28          2HG2      THR  28  -2.704  12.418  -1.997
  202   3HG2  THR  28          3HG2      THR  28  -3.857  13.360  -1.023
  203    H    HIS  29           H        HIS  29  -2.759  11.459   3.725
  204    HA   HIS  29           HA       HIS  29  -4.647   9.339   4.374
  205   1HB   HIS  29          1HB       HIS  29  -1.678   8.673   3.973
  206   2HB   HIS  29          2HB       HIS  29  -2.887   7.602   4.804
  207    HD1  HIS  29           HD1      HIS  29  -1.537   8.518   1.542
  208    HD2  HIS  29           HD2      HIS  29  -4.913   6.531   2.999
  209    HE1  HIS  29           HE1      HIS  29  -2.527   7.223  -0.456
  210    H    LYS  30           H        LYS  30  -3.985  12.000   5.370
  211    HA   LYS  30           HA       LYS  30  -2.494  11.517   7.804
  212   1HB   LYS  30          1HB       LYS  30  -3.043  13.986   8.163
  213   2HB   LYS  30          2HB       LYS  30  -1.976  13.582   6.833
  214   1HG   LYS  30          1HG       LYS  30  -3.532  14.159   5.213
  215   2HG   LYS  30          2HG       LYS  30  -4.897  13.633   6.177
  216   1HD   LYS  30          1HD       LYS  30  -4.652  15.646   7.637
  217   2HD   LYS  30          2HD       LYS  30  -3.272  16.170   6.691
  218   1HE   LYS  30          1HE       LYS  30  -5.005  15.921   4.651
  219   2HE   LYS  30          2HE       LYS  30  -6.193  16.121   5.924
  220   1HZ   LYS  30          1HZ       LYS  30  -4.872  18.117   6.591
  221   2HZ   LYS  30          2HZ       LYS  30  -4.049  17.977   5.187
  222   3HZ   LYS  30          3HZ       LYS  30  -5.660  18.243   5.166
  223    H    ASP  31           H        ASP  31  -5.823  11.714   6.615
  224    HA   ASP  31           HA       ASP  31  -6.877  12.001   9.248
  225   1HB   ASP  31          1HB       ASP  31  -8.967  12.173   8.200
  226   2HB   ASP  31          2HB       ASP  31  -7.896  12.759   6.943
  227    H    VAL  32           H        VAL  32  -5.234   9.547   7.860
  228    HA   VAL  32           HA       VAL  32  -7.107   7.437   8.647
  229    HB   VAL  32           HB       VAL  32  -4.692   7.549   6.854
  230   1HG1  VAL  32          1HG1      VAL  32  -5.930   5.150   8.191
  231   2HG1  VAL  32          2HG1      VAL  32  -5.210   5.008   6.569
  232   3HG1  VAL  32          3HG1      VAL  32  -4.213   5.548   7.942
  233   1HG2  VAL  32          1HG2      VAL  32  -7.359   7.891   6.327
  234   2HG2  VAL  32          2HG2      VAL  32  -6.146   7.344   5.144
  235   3HG2  VAL  32          3HG2      VAL  32  -7.148   6.153   6.007
  236    H    LYS  33           H        LYS  33  -6.618   5.996  10.305
  237    HA   LYS  33           HA       LYS  33  -5.244   6.799  12.454
  238   1HB   LYS  33          1HB       LYS  33  -6.194   4.222  11.413
  239   2HB   LYS  33          2HB       LYS  33  -4.858   4.064  12.535
  240   1HG   LYS  33          1HG       LYS  33  -6.543   4.169  14.102
  241   2HG   LYS  33          2HG       LYS  33  -6.313   5.895  13.909
  242   1HD   LYS  33          1HD       LYS  33  -8.077   5.699  11.972
  243   2HD   LYS  33          2HD       LYS  33  -8.462   4.139  12.670
  244   1HE   LYS  33          1HE       LYS  33  -9.464   5.060  14.532
  245   2HE   LYS  33          2HE       LYS  33  -8.299   6.364  14.648
  246   1HZ   LYS  33          1HZ       LYS  33  -9.519   7.046  12.434
  247   2HZ   LYS  33          2HZ       LYS  33 -10.754   6.249  13.146
  248   3HZ   LYS  33          3HZ       LYS  33 -10.055   7.515  13.904
  249    H    CYS  34           H        CYS  34  -3.216   7.571  12.666
  250    HA   CYS  34           HA       CYS  34  -1.205   7.209  10.854
  251   1HB   CYS  34          1HB       CYS  34  -1.192   8.970  12.514
  252   2HB   CYS  34          2HB       CYS  34  -1.029   7.805  13.813
  253    H    ASP  35           H        ASP  35  -2.494   5.046  13.288
  254    HA   ASP  35           HA       ASP  35  -0.123   3.379  13.080
  255   1HB   ASP  35          1HB       ASP  35  -0.978   2.201  15.046
  256   2HB   ASP  35          2HB       ASP  35  -0.977   3.924  15.368
  257    H    ASP  36           H        ASP  36  -2.122   3.724  10.896
  258    HA   ASP  36           HA       ASP  36  -3.584   1.228  11.025
  259   1HB   ASP  36          1HB       ASP  36  -4.913   3.132  10.327
  260   2HB   ASP  36          2HB       ASP  36  -3.694   3.648   9.179
  261    H    CYS  37           H        CYS  37  -0.910   2.956   9.440
  262    HA   CYS  37           HA       CYS  37  -0.577   0.729   7.576
  263   1HB   CYS  37          1HB       CYS  37   0.647   3.507   7.487
  264   2HB   CYS  37          2HB       CYS  37   0.903   2.239   6.304
  265    H    HIS  38           H        HIS  38   0.824   2.691  10.132
  266    HA   HIS  38           HA       HIS  38   3.293   1.018  10.193
  267   1HB   HIS  38          1HB       HIS  38   2.543   3.662  11.558
  268   2HB   HIS  38          2HB       HIS  38   4.123   2.790  11.758
  269    HD1  HIS  38           HD1      HIS  38   5.391   2.433   9.371
  270    HD2  HIS  38           HD2      HIS  38   2.631   5.563   9.616
  271    HE1  HIS  38           HE1      HIS  38   5.971   4.055   7.454
  272    H    HIS  39           H        HIS  39   2.297  -0.844  10.972
  273    HA   HIS  39           HA       HIS  39   0.996  -0.775  13.632
  274   1HB   HIS  39          1HB       HIS  39   0.317  -2.996  13.191
  275   2HB   HIS  39          2HB       HIS  39   0.163  -2.101  11.618
  276    HD1  HIS  39           HD1      HIS  39   2.140  -4.769  13.331
  277    HD2  HIS  39           HD2      HIS  39   1.740  -3.088   9.525
  278    HE1  HIS  39           HE1      HIS  39   3.407  -6.331  11.719
  279    H    GLN  40           H        GLN  40   3.811   0.072  13.438
  280    HA   GLN  40           HA       GLN  40   5.226  -2.178  14.557
  281   1HB   GLN  40          1HB       GLN  40   5.939   0.294  13.180
  282   2HB   GLN  40          2HB       GLN  40   6.851   0.147  14.669
  283   1HG   GLN  40          1HG       GLN  40   7.998  -0.941  12.719
  284   2HG   GLN  40          2HG       GLN  40   7.682  -2.062  14.029
  285   2HE2  GLN  40          1HE2      GLN  40   6.414  -0.832  10.964
  286   1HE2  GLN  40          2HE2      GLN  40   5.608  -2.277  10.451
  287    HA   PRO  41           HA       PRO  41   5.006  -0.705  18.719
  288   1HB   PRO  41          1HB       PRO  41   7.403  -1.437  19.770
  289   2HB   PRO  41          2HB       PRO  41   6.261  -2.651  19.107
  290   1HG   PRO  41          1HG       PRO  41   8.767  -1.775  17.778
  291   2HG   PRO  41          2HG       PRO  41   7.810  -3.290  17.859
  292   1HD   PRO  41          1HD       PRO  41   7.758  -1.202  15.820
  293   2HD   PRO  41          2HD       PRO  41   6.740  -2.672  15.906
  294    H    GLY  42           H        GLY  42   8.348   0.140  17.457
  295   1HA   GLY  42          2HA       GLY  42   8.637   2.388  19.114
  296   2HA   GLY  42          1HA       GLY  42   7.938   2.910  17.594
  297    H    ASP  43           H        ASP  43  10.535   0.629  18.744
  298    HA   ASP  43           HA       ASP  43  12.574   2.018  17.546
  299   1HB   ASP  43          1HB       ASP  43  12.469  -0.065  19.237
  300   2HB   ASP  43          2HB       ASP  43  12.694  -0.993  17.768
  301    H    LYS  44           H        LYS  44  10.093  -0.062  16.230
  302    HA   LYS  44           HA       LYS  44  11.628  -0.410  13.753
  303   1HB   LYS  44          1HB       LYS  44   9.412  -2.009  15.029
  304   2HB   LYS  44          2HB       LYS  44   9.734  -2.128  13.311
  305   1HG   LYS  44          1HG       LYS  44  12.273  -2.417  14.166
  306   2HG   LYS  44          2HG       LYS  44  11.476  -2.947  15.634
  307   1HD   LYS  44          1HD       LYS  44  10.322  -4.735  14.486
  308   2HD   LYS  44          2HD       LYS  44  10.722  -4.082  12.909
  309   1HE   LYS  44          1HE       LYS  44  12.202  -5.973  13.359
  310   2HE   LYS  44          2HE       LYS  44  13.160  -4.506  13.372
  311   1HZ   LYS  44          1HZ       LYS  44  12.948  -4.494  15.786
  312   2HZ   LYS  44          2HZ       LYS  44  12.129  -5.906  15.741
  313   3HZ   LYS  44          3HZ       LYS  44  13.686  -5.849  15.251
  314    H    GLN  45           H        GLN  45   9.141   1.387  15.311
  315    HA   GLN  45           HA       GLN  45   7.248   1.736  13.444
  316   1HB   GLN  45          1HB       GLN  45   7.308   2.805  15.703
  317   2HB   GLN  45          2HB       GLN  45   8.524   3.931  15.135
  318   1HG   GLN  45          1HG       GLN  45   7.016   5.045  13.684
  319   2HG   GLN  45          2HG       GLN  45   5.914   3.684  13.618
  320   2HE2  GLN  45          1HE2      GLN  45   4.270   3.545  14.994
  321   1HE2  GLN  45          2HE2      GLN  45   3.948   4.623  16.311
  322    H    TYR  46           H        TYR  46  10.540   2.996  13.482
  323    HA   TYR  46           HA       TYR  46  10.062   4.348  10.873
  324   1HB   TYR  46          1HB       TYR  46  12.460   4.662  12.691
  325   2HB   TYR  46          2HB       TYR  46  11.936   5.721  11.371
  326    HD1  TYR  46           HD1      TYR  46   9.005   5.910  12.011
  327    HD2  TYR  46           HD2      TYR  46  12.474   6.128  14.535
  328    HE1  TYR  46           HE1      TYR  46   7.741   7.302  13.628
  329    HE2  TYR  46           HE2      TYR  46  11.211   7.520  16.152
  330    HH   TYR  46           HH       TYR  46   8.771   7.950  16.788
  331    H    ALA  47           H        ALA  47  10.518   1.334  11.457
  332    HA   ALA  47           HA       ALA  47  13.131   1.010  10.208
  333   1HB   ALA  47          3HB       ALA  47  12.756  -0.405  12.102
  334   2HB   ALA  47          2HB       ALA  47  12.596  -1.444  10.666
  335   3HB   ALA  47          1HB       ALA  47  11.141  -0.875  11.519
  336    H    GLY  48           H        GLY  48  13.365  -0.331   8.264
  337   1HA   GLY  48          2HA       GLY  48  12.763  -1.081   6.222
  338   2HA   GLY  48          1HA       GLY  48  11.878   0.429   6.126
  339    H    CYS  49           H        CYS  49  10.200  -0.551   4.834
  340    HA   CYS  49           HA       CYS  49   8.149  -1.702   6.438
  341   1HB   CYS  49          1HB       CYS  49   7.839  -0.039   4.554
  342   2HB   CYS  49          2HB       CYS  49   8.163  -1.350   3.438
  343    H    THR  50           H        THR  50  10.301  -2.728   3.706
  344    HA   THR  50           HA       THR  50   9.268  -5.410   3.742
  345    HB   THR  50           HB       THR  50  11.243  -5.656   2.073
  346    HG1  THR  50           HG1      THR  50  12.397  -3.728   1.760
  347   1HG2  THR  50          1HG2      THR  50   8.750  -4.197   1.789
  348   2HG2  THR  50          2HG2      THR  50  10.014  -3.355   0.863
  349   3HG2  THR  50          3HG2      THR  50   9.662  -5.068   0.534
  350    H    THR  51           H        THR  51  12.374  -3.820   4.716
  351    HA   THR  51           HA       THR  51  14.140  -4.808   5.772
  352    HB   THR  51           HB       THR  51  12.132  -5.427   7.944
  353    HG1  THR  51           HG1      THR  51  11.317  -3.368   7.729
  354   1HG2  THR  51          1HG2      THR  51  14.900  -4.661   7.779
  355   2HG2  THR  51          2HG2      THR  51  14.013  -3.279   8.466
  356   3HG2  THR  51          3HG2      THR  51  13.921  -4.874   9.250
  357    H    ASP  52           H        ASP  52  13.670  -6.864   7.979
  358    HA   ASP  52           HA       ASP  52  13.577  -9.136   6.154
  359   1HB   ASP  52          1HB       ASP  52  14.901  -9.493   8.795
  360   2HB   ASP  52          2HB       ASP  52  15.403 -10.061   7.215
  361    H    GLY  53           H        GLY  53  12.550 -11.117   7.043
  362   1HA   GLY  53          2HA       GLY  53  11.535 -11.427   9.598
  363   2HA   GLY  53          1HA       GLY  53  10.930 -12.210   8.152
  364    H    CYS  54           H        CYS  54  10.507  -9.257   7.057
  365    HA   CYS  54           HA       CYS  54   8.029  -8.799   8.552
  366   1HB   CYS  54          1HB       CYS  54   9.640  -6.761   6.981
  367   2HB   CYS  54          2HB       CYS  54   8.176  -6.449   7.892
  368    H    HIS  55           H        HIS  55   8.831  -7.178   5.595
  369    HA   HIS  55           HA       HIS  55   7.110  -9.016   3.983
  370   1HB   HIS  55          1HB       HIS  55   6.913  -5.956   3.967
  371   2HB   HIS  55          2HB       HIS  55   5.890  -7.142   3.047
  372    HD1  HIS  55           HD1      HIS  55   4.342  -8.658   4.577
  373    HD2  HIS  55           HD2      HIS  55   5.884  -5.228   6.401
  374    HE1  HIS  55           HE1      HIS  55   2.871  -8.222   6.648
  375    H    ASN  56           H        ASN  56   9.576  -9.597   3.619
  376    HA   ASN  56           HA       ASN  56  10.809  -7.758   1.781
  377   1HB   ASN  56          1HB       ASN  56  12.631  -9.616   1.786
  378   2HB   ASN  56          2HB       ASN  56  12.378  -8.758   3.293
  379   2HD2  ASN  56          1HD2      ASN  56  13.392 -11.468   2.675
  380   1HD2  ASN  56          2HD2      ASN  56  12.442 -12.578   3.605
  381    H    ILE  57           H        ILE  57   9.678 -11.215   1.965
  382    HA   ILE  57           HA       ILE  57  10.217 -12.161  -0.464
  383    HB   ILE  57           HB       ILE  57   7.713 -12.429   1.185
  384   1HG1  ILE  57          1HG1      ILE  57  10.378 -13.576   1.249
  385   2HG1  ILE  57          2HG1      ILE  57   9.095 -13.648   2.441
  386   1HG2  ILE  57          1HG2      ILE  57   8.471 -13.985  -1.303
  387   2HG2  ILE  57          2HG2      ILE  57   7.171 -14.422  -0.169
  388   3HG2  ILE  57          3HG2      ILE  57   7.068 -12.908  -1.099
  389   1HD1  ILE  57          1HD1      ILE  57   9.219 -15.401  -0.056
  390   2HD1  ILE  57          2HD1      ILE  57   9.733 -15.910   1.571
  391   3HD1  ILE  57          3HD1      ILE  57   8.024 -15.520   1.258
  392    H    LEU  58           H        LEU  58  10.069 -11.361  -2.483
  393    HA   LEU  58           HA       LEU  58   7.869  -9.494  -3.004
  394   1HB   LEU  58          1HB       LEU  58  10.440  -9.842  -4.546
  395   2HB   LEU  58          2HB       LEU  58   9.231  -8.594  -4.770
  396    HG   LEU  58           HG       LEU  58  11.064  -8.943  -2.385
  397   1HD1  LEU  58          1HD1      LEU  58  11.530  -7.729  -4.831
  398   2HD1  LEU  58          2HD1      LEU  58  11.078  -6.376  -3.767
  399   3HD1  LEU  58          3HD1      LEU  58  12.425  -7.449  -3.319
  400   1HD2  LEU  58          1HD2      LEU  58   8.741  -8.192  -1.771
  401   2HD2  LEU  58          2HD2      LEU  58  10.048  -7.059  -1.349
  402   3HD2  LEU  58          3HD2      LEU  58   9.022  -6.745  -2.769
  403    H    ASP  59           H        ASP  59   7.194 -12.206  -2.863
  404    HA   ASP  59           HA       ASP  59   6.959 -12.857  -5.696
  405   1HB   ASP  59          1HB       ASP  59   7.622 -14.462  -3.321
  406   2HB   ASP  59          2HB       ASP  59   6.257 -15.142  -4.186
  407    H    LYS  60           H        LYS  60   4.827 -14.319  -6.021
  408    HA   LYS  60           HA       LYS  60   2.700 -13.150  -4.365
  409   1HB   LYS  60          1HB       LYS  60   2.292 -13.924  -7.244
  410   2HB   LYS  60          2HB       LYS  60   1.347 -12.838  -6.245
  411   1HG   LYS  60          1HG       LYS  60   2.547 -11.117  -7.108
  412   2HG   LYS  60          2HG       LYS  60   3.934 -11.710  -6.216
  413   1HD   LYS  60          1HD       LYS  60   4.938 -12.018  -8.233
  414   2HD   LYS  60          2HD       LYS  60   3.886 -13.405  -8.433
  415   1HE   LYS  60          1HE       LYS  60   3.068 -10.578  -9.243
  416   2HE   LYS  60          2HE       LYS  60   3.843 -11.696 -10.347
  417   1HZ   LYS  60          1HZ       LYS  60   1.887 -13.193  -9.365
  418   2HZ   LYS  60          2HZ       LYS  60   1.170 -11.726  -9.323
  419   3HZ   LYS  60          3HZ       LYS  60   1.754 -12.309 -10.733
  420    H    ALA  61           H        ALA  61   3.915 -15.968  -6.238
  421    HA   ALA  61           HA       ALA  61   1.758 -17.627  -5.306
  422   1HB   ALA  61          2HB       ALA  61   4.120 -18.954  -6.446
  423   2HB   ALA  61          1HB       ALA  61   3.506 -17.633  -7.470
  424   3HB   ALA  61          3HB       ALA  61   2.427 -18.967  -6.997
  425    H    ASP  62           H        ASP  62   4.261 -16.219  -3.717
  426    HA   ASP  62           HA       ASP  62   5.316 -18.522  -2.430
  427   1HB   ASP  62          1HB       ASP  62   5.682 -15.561  -2.319
  428   2HB   ASP  62          2HB       ASP  62   5.984 -16.391  -0.805
  429    H    LYS  63           H        LYS  63   2.923 -15.899  -1.794
  430    HA   LYS  63           HA       LYS  63   1.199 -15.810  -0.402
  431   1HB   LYS  63          1HB       LYS  63   1.920 -18.554   0.653
  432   2HB   LYS  63          2HB       LYS  63   0.373 -17.739   0.757
  433   1HG   LYS  63          1HG       LYS  63  -0.235 -18.565  -1.263
  434   2HG   LYS  63          2HG       LYS  63   1.142 -17.792  -2.022
  435   1HD   LYS  63          1HD       LYS  63   1.838 -19.926  -2.459
  436   2HD   LYS  63          2HD       LYS  63   2.384 -19.921  -0.794
  437   1HE   LYS  63          1HE       LYS  63   1.064 -21.902  -0.987
  438   2HE   LYS  63          2HE       LYS  63   0.026 -20.763  -0.153
  439   1HZ   LYS  63          1HZ       LYS  63  -0.789 -20.189  -2.467
  440   2HZ   LYS  63          2HZ       LYS  63  -0.086 -21.580  -2.955
  441   3HZ   LYS  63          3HZ       LYS  63  -1.273 -21.615  -1.834
  442    H    SER  64           H        SER  64   1.198 -16.951   2.383
  443    HA   SER  64           HA       SER  64   1.909 -16.459   4.376
  444   1HB   SER  64          1HB       SER  64   4.137 -17.291   3.585
  445   2HB   SER  64          2HB       SER  64   4.556 -15.665   3.083
  446    HG   SER  64           HG       SER  64   4.764 -16.788   5.559
  447    H    VAL  65           H        VAL  65   2.403 -14.547   5.844
  448    HA   VAL  65           HA       VAL  65   1.480 -12.125   4.528
  449    HB   VAL  65           HB       VAL  65   1.798 -12.887   7.437
  450   1HG1  VAL  65          1HG1      VAL  65   1.148 -10.321   6.101
  451   2HG1  VAL  65          2HG1      VAL  65   0.076 -10.788   7.443
  452   3HG1  VAL  65          3HG1      VAL  65   1.829 -10.639   7.715
  453   1HG2  VAL  65          1HG2      VAL  65  -0.050 -13.876   5.733
  454   2HG2  VAL  65          2HG2      VAL  65  -0.365 -13.577   7.459
  455   3HG2  VAL  65          3HG2      VAL  65  -0.876 -12.383   6.241
  456    H    ASN  66           H        ASN  66   4.161 -13.040   3.910
  457    HA   ASN  66           HA       ASN  66   5.631 -10.886   5.214
  458   1HB   ASN  66          1HB       ASN  66   6.275 -13.743   4.940
  459   2HB   ASN  66          2HB       ASN  66   7.518 -12.761   4.190
  460   2HD2  ASN  66          1HD2      ASN  66   5.399 -12.434   7.041
  461   1HD2  ASN  66          2HD2      ASN  66   6.641 -12.090   8.198
  462    H    SER  67           H        SER  67   3.973 -11.392   2.569
  463    HA   SER  67           HA       SER  67   6.111 -10.895   0.669
  464   1HB   SER  67          1HB       SER  67   3.335 -12.012   0.495
  465   2HB   SER  67          2HB       SER  67   3.889 -11.088  -0.888
  466    HG   SER  67           HG       SER  67   4.667 -13.059  -1.402
  467    H    TRP  68           H        TRP  68   6.567  -8.753   0.323
  468    HA   TRP  68           HA       TRP  68   5.123  -6.635   1.239
  469   1HB   TRP  68          1HB       TRP  68   7.356  -6.323   0.547
  470   2HB   TRP  68          2HB       TRP  68   7.031  -6.904  -1.074
  471    HD1  TRP  68           HD1      TRP  68   7.118  -4.888  -2.720
  472    HE1  TRP  68           HE1      TRP  68   6.385  -2.354  -2.798
  473    HE3  TRP  68           HE3      TRP  68   5.262  -4.734   2.012
  474    HZ2  TRP  68           HZ2      TRP  68   5.139  -0.609  -0.915
  475    HZ3  TRP  68           HZ3      TRP  68   4.306  -2.576   2.814
  476    HH2  TRP  68           HH2      TRP  68   4.226  -0.559   1.435
  477    H    TYR  69           H        TYR  69   4.948  -8.339  -1.887
  478    HA   TYR  69           HA       TYR  69   2.729  -6.663  -2.814
  479   1HB   TYR  69          1HB       TYR  69   4.455  -7.410  -4.379
  480   2HB   TYR  69          2HB       TYR  69   4.106  -9.102  -3.987
  481    HD1  TYR  69           HD1      TYR  69   2.756  -6.037  -5.597
  482    HD2  TYR  69           HD2      TYR  69   2.283 -10.264  -4.997
  483    HE1  TYR  69           HE1      TYR  69   1.046  -6.100  -7.392
  484    HE2  TYR  69           HE2      TYR  69   0.573 -10.327  -6.793
  485    HH   TYR  69           HH       TYR  69  -0.933  -8.899  -8.032
  486    H    LYS  70           H        LYS  70   1.764  -7.644  -0.488
  487    HA   LYS  70           HA       LYS  70  -0.182  -9.569  -1.446
  488   1HB   LYS  70          1HB       LYS  70   1.869 -10.735  -0.317
  489   2HB   LYS  70          2HB       LYS  70   1.172 -10.146   1.179
  490   1HG   LYS  70          1HG       LYS  70  -1.072 -11.187   0.312
  491   2HG   LYS  70          2HG       LYS  70  -0.073 -12.042  -0.847
  492   1HD   LYS  70          1HD       LYS  70   1.096 -13.242   0.850
  493   2HD   LYS  70          2HD       LYS  70   0.632 -12.110   2.105
  494   1HE   LYS  70          1HE       LYS  70  -1.495 -13.031   2.358
  495   2HE   LYS  70          2HE       LYS  70  -1.604 -13.525   0.680
  496   1HZ   LYS  70          1HZ       LYS  70   0.489 -14.915   1.844
  497   2HZ   LYS  70          2HZ       LYS  70  -0.789 -15.038   2.853
  498   3HZ   LYS  70          3HZ       LYS  70  -0.930 -15.509   1.296
  499    H    VAL  71           H        VAL  71   1.006  -7.786   1.492
  500    HA   VAL  71           HA       VAL  71  -1.656  -7.382   2.415
  501    HB   VAL  71           HB       VAL  71  -0.680  -6.489   4.273
  502   1HG1  VAL  71          1HG1      VAL  71   0.451  -8.752   3.357
  503   2HG1  VAL  71          2HG1      VAL  71   1.903  -7.727   3.461
  504   3HG1  VAL  71          3HG1      VAL  71   0.901  -8.000   4.907
  505   1HG2  VAL  71          1HG2      VAL  71   1.294  -5.275   2.370
  506   2HG2  VAL  71          2HG2      VAL  71   0.320  -4.510   3.648
  507   3HG2  VAL  71          3HG2      VAL  71   1.753  -5.475   4.078
  508    H    VAL  72           H        VAL  72  -0.060  -6.161  -0.231
  509    HA   VAL  72           HA       VAL  72  -1.102  -3.454   0.101
  510    HB   VAL  72           HB       VAL  72   0.830  -4.779  -1.789
  511   1HG1  VAL  72          1HG1      VAL  72  -0.858  -2.402  -2.273
  512   2HG1  VAL  72          2HG1      VAL  72   0.882  -2.158  -2.559
  513   3HG1  VAL  72          3HG1      VAL  72   0.011  -3.450  -3.420
  514   1HG2  VAL  72          1HG2      VAL  72   1.009  -2.498   0.200
  515   2HG2  VAL  72          2HG2      VAL  72   1.842  -4.071   0.254
  516   3HG2  VAL  72          3HG2      VAL  72   2.284  -2.872  -0.985
  517    H    HIS  73           H        HIS  73  -1.403  -6.418  -1.763
  518    HA   HIS  73           HA       HIS  73  -3.783  -5.280  -3.185
  519   1HB   HIS  73          1HB       HIS  73  -1.990  -7.667  -3.902
  520   2HB   HIS  73          2HB       HIS  73  -3.398  -7.045  -4.867
  521    HD1  HIS  73           HD1      HIS  73   0.158  -6.363  -4.022
  522    HD2  HIS  73           HD2      HIS  73  -2.867  -4.733  -6.402
  523    HE1  HIS  73           HE1      HIS  73   1.308  -4.667  -5.585
  524    H    ASP  74           H        ASP  74  -3.408  -6.548  -0.334
  525    HA   ASP  74           HA       ASP  74  -4.819  -8.980  -0.502
  526   1HB   ASP  74          1HB       ASP  74  -3.312  -7.710   1.423
  527   2HB   ASP  74          2HB       ASP  74  -4.925  -7.398   2.032
  528    H    ALA  75           H        ALA  75  -6.436  -7.520  -2.028
  529    HA   ALA  75           HA       ALA  75  -8.184  -5.702  -1.050
  530   1HB   ALA  75          2HB       ALA  75  -9.149  -7.972  -2.793
  531   2HB   ALA  75          1HB       ALA  75  -7.912  -6.841  -3.394
  532   3HB   ALA  75          3HB       ALA  75  -9.512  -6.233  -2.904
  533    H    LYS  76           H        LYS  76  -8.000  -9.182  -0.342
  534    HA   LYS  76           HA       LYS  76 -10.562  -9.517   0.690
  535   1HB   LYS  76          1HB       LYS  76  -9.477 -11.504   0.317
  536   2HB   LYS  76          2HB       LYS  76  -7.938 -10.922   0.917
  537   1HG   LYS  76          1HG       LYS  76  -8.906 -10.905   3.258
  538   2HG   LYS  76          2HG       LYS  76 -10.382 -11.602   2.619
  539   1HD   LYS  76          1HD       LYS  76  -9.396 -13.678   2.195
  540   2HD   LYS  76          2HD       LYS  76  -7.803 -12.996   1.937
  541   1HE   LYS  76          1HE       LYS  76  -7.363 -13.799   4.038
  542   2HE   LYS  76          2HE       LYS  76  -8.176 -12.345   4.580
  543   1HZ   LYS  76          1HZ       LYS  76  -9.575 -14.873   4.062
  544   2HZ   LYS  76          2HZ       LYS  76  -9.043 -14.418   5.538
  545   3HZ   LYS  76          3HZ       LYS  76 -10.190 -13.540   4.776
  546    H    GLY  77           H        GLY  77  -7.505  -8.323   2.177
  547   1HA   GLY  77          2HA       GLY  77  -9.060  -6.960   4.210
  548   2HA   GLY  77          1HA       GLY  77  -7.340  -6.827   3.902
  549    H    GLY  78           H        GLY  78  -6.383  -7.295   5.861
  550   1HA   GLY  78          2HA       GLY  78  -5.475  -9.218   7.032
  551   2HA   GLY  78          1HA       GLY  78  -7.088  -9.904   7.066
  552    H    ALA  79           H        ALA  79  -5.089  -8.999   9.246
  553    HA   ALA  79           HA       ALA  79  -6.969  -8.168  11.111
  554   1HB   ALA  79          3HB       ALA  79  -5.197  -8.252  12.597
  555   2HB   ALA  79          2HB       ALA  79  -4.056  -7.512  11.448
  556   3HB   ALA  79          1HB       ALA  79  -4.526  -9.219  11.262
  557    H    LYS  80           H        LYS  80  -4.629  -6.320   9.081
  558    HA   LYS  80           HA       LYS  80  -6.073  -3.897   9.901
  559   1HB   LYS  80          1HB       LYS  80  -3.107  -4.343   9.551
  560   2HB   LYS  80          2HB       LYS  80  -3.815  -2.745   9.429
  561   1HG   LYS  80          1HG       LYS  80  -3.186  -2.949  11.722
  562   2HG   LYS  80          2HG       LYS  80  -4.921  -3.196  11.717
  563   1HD   LYS  80          1HD       LYS  80  -4.753  -5.438  12.266
  564   2HD   LYS  80          2HD       LYS  80  -3.282  -5.669  11.341
  565   1HE   LYS  80          1HE       LYS  80  -2.790  -3.836  13.566
  566   2HE   LYS  80          2HE       LYS  80  -3.509  -5.321  14.158
  567   1HZ   LYS  80          1HZ       LYS  80  -1.273  -5.365  12.270
  568   2HZ   LYS  80          2HZ       LYS  80  -1.028  -5.268  13.882
  569   3HZ   LYS  80          3HZ       LYS  80  -1.793  -6.564  13.248
  570    HA   PRO  81           HA       PRO  81  -7.209  -3.210   5.765
  571   1HB   PRO  81          1HB       PRO  81  -6.648  -0.449   5.635
  572   2HB   PRO  81          2HB       PRO  81  -8.125  -1.190   6.335
  573   1HG   PRO  81          1HG       PRO  81  -5.658  -0.187   7.938
  574   2HG   PRO  81          2HG       PRO  81  -7.434  -0.040   8.146
  575   1HD   PRO  81          1HD       PRO  81  -5.933  -1.983   9.404
  576   2HD   PRO  81          2HD       PRO  81  -7.608  -2.290   8.853
  577    H    THR  82           H        THR  82  -6.247  -2.931   3.631
  578    HA   THR  82           HA       THR  82  -3.313  -2.813   3.761
  579    HB   THR  82           HB       THR  82  -3.683  -3.918   1.406
  580    HG1  THR  82           HG1      THR  82  -5.835  -4.361   1.015
  581   1HG2  THR  82          1HG2      THR  82  -3.423  -5.065   3.927
  582   2HG2  THR  82          2HG2      THR  82  -4.963  -5.758   3.365
  583   3HG2  THR  82          3HG2      THR  82  -3.481  -5.986   2.406
  584    H    CYS  83           H        CYS  83  -4.880  -2.400   0.684
  585    HA   CYS  83           HA       CYS  83  -4.605   0.487   0.878
  586   1HB   CYS  83          1HB       CYS  83  -3.232  -1.129  -1.279
  587   2HB   CYS  83          2HB       CYS  83  -3.293   0.619  -1.170
  588    H    ILE  84           H        ILE  84  -5.405  -2.438  -1.112
  589    HA   ILE  84           HA       ILE  84  -7.248  -0.964  -2.733
  590    HB   ILE  84           HB       ILE  84  -6.169  -3.713  -2.584
  591   1HG1  ILE  84          1HG1      ILE  84  -6.845  -1.890  -4.912
  592   2HG1  ILE  84          2HG1      ILE  84  -5.296  -1.933  -4.092
  593   1HG2  ILE  84          1HG2      ILE  84  -8.908  -3.113  -3.724
  594   2HG2  ILE  84          2HG2      ILE  84  -7.938  -4.542  -4.155
  595   3HG2  ILE  84          3HG2      ILE  84  -8.478  -4.306  -2.475
  596   1HD1  ILE  84          1HD1      ILE  84  -5.454  -4.553  -4.595
  597   2HD1  ILE  84          2HD1      ILE  84  -6.562  -4.006  -5.875
  598   3HD1  ILE  84          3HD1      ILE  84  -4.883  -3.417  -5.840
  599    H    SER  85           H        SER  85  -7.314  -2.878   0.253
  600    HA   SER  85           HA       SER  85 -10.000  -3.484   0.269
  601   1HB   SER  85          1HB       SER  85  -9.702  -3.652   2.763
  602   2HB   SER  85          2HB       SER  85  -8.481  -4.516   1.849
  603    HG   SER  85           HG       SER  85  -7.230  -2.349   2.086
  604    H    CYS  86           H        CYS  86  -8.584  -1.069   2.568
  605    HA   CYS  86           HA       CYS  86 -10.743   0.278   3.241
  606   1HB   CYS  86          1HB       CYS  86  -8.481   0.803   4.056
  607   2HB   CYS  86          2HB       CYS  86  -8.088   1.571   2.531
  608    H    HIS  87           H        HIS  87  -8.807   0.841   0.306
  609    HA   HIS  87           HA       HIS  87 -10.303   2.959  -0.829
  610   1HB   HIS  87          1HB       HIS  87  -8.413   0.816  -1.839
  611   2HB   HIS  87          2HB       HIS  87  -9.328   1.824  -3.040
  612    HD1  HIS  87           HD1      HIS  87  -7.687   3.347  -3.921
  613    HD2  HIS  87           HD2      HIS  87  -7.378   3.095   0.239
  614    HE1  HIS  87           HE1      HIS  87  -5.922   5.091  -3.225
  615    H    LYS  88           H        LYS  88 -10.502  -0.585  -1.760
  616    HA   LYS  88           HA       LYS  88 -12.771  -0.293  -3.310
  617   1HB   LYS  88          1HB       LYS  88 -12.783  -2.602  -3.438
  618   2HB   LYS  88          2HB       LYS  88 -11.108  -2.264  -3.049
  619   1HG   LYS  88          1HG       LYS  88 -11.307  -3.604  -1.232
  620   2HG   LYS  88          2HG       LYS  88 -12.412  -2.436  -0.536
  621   1HD   LYS  88          1HD       LYS  88 -14.340  -3.549  -1.579
  622   2HD   LYS  88          2HD       LYS  88 -13.288  -4.633  -2.468
  623   1HE   LYS  88          1HE       LYS  88 -13.616  -6.063  -0.712
  624   2HE   LYS  88          2HE       LYS  88 -12.412  -5.087   0.106
  625   1HZ   LYS  88          1HZ       LYS  88 -15.296  -4.535   0.199
  626   2HZ   LYS  88          2HZ       LYS  88 -14.480  -5.352   1.353
  627   3HZ   LYS  88          3HZ       LYS  88 -14.133  -3.783   1.064
  628    H    ASP  89           H        ASP  89 -12.348  -0.278   0.179
  629    HA   ASP  89           HA       ASP  89 -15.160  -0.757   0.576
  630   1HB   ASP  89          1HB       ASP  89 -12.852  -1.247   2.089
  631   2HB   ASP  89          2HB       ASP  89 -13.560   0.136   2.900
  632    H    LYS  90           H        LYS  90 -13.646   1.743  -0.691
  633    HA   LYS  90           HA       LYS  90 -15.265   3.699   0.728
  634   1HB   LYS  90          1HB       LYS  90 -12.280   3.693   0.610
  635   2HB   LYS  90          2HB       LYS  90 -13.095   5.229   0.404
  636   1HG   LYS  90          1HG       LYS  90 -14.239   3.637   2.615
  637   2HG   LYS  90          2HG       LYS  90 -12.536   3.976   2.849
  638   1HD   LYS  90          1HD       LYS  90 -13.168   6.446   2.186
  639   2HD   LYS  90          2HD       LYS  90 -14.818   5.952   2.513
  640   1HE   LYS  90          1HE       LYS  90 -13.640   4.985   4.769
  641   2HE   LYS  90          2HE       LYS  90 -12.519   6.285   4.419
  642   1HZ   LYS  90          1HZ       LYS  90 -15.197   7.123   4.114
  643   2HZ   LYS  90          2HZ       LYS  90 -14.938   6.532   5.614
  644   3HZ   LYS  90          3HZ       LYS  90 -14.017   7.756   5.049
  645    H    ALA  91           H        ALA  91 -16.521   3.168  -1.285
  646    HA   ALA  91           HA       ALA  91 -16.202   5.184  -3.165
  647   1HB   ALA  91          1HB       ALA  91 -14.849   2.578  -3.801
  648   2HB   ALA  91          3HB       ALA  91 -14.376   4.240  -4.228
  649   3HB   ALA  91          2HB       ALA  91 -15.696   3.436  -5.110
  650    H    GLY  92           H        GLY  92 -17.012   1.656  -3.511
  651   1HA   GLY  92          2HA       GLY  92 -19.844   2.470  -3.797
  652   2HA   GLY  92          1HA       GLY  92 -19.306   0.974  -3.060
  653    H    ASP  93           H        ASP  93 -21.135   1.167  -5.305
  654    HA   ASP  93           HA       ASP  93 -19.785  -0.625  -7.025
  655   1HB   ASP  93          1HB       ASP  93 -22.058  -0.359  -8.326
  656   2HB   ASP  93          2HB       ASP  93 -22.053  -1.160  -6.767
  657    H    ASP  94           H        ASP  94 -20.249   2.813  -6.820
  658    HA   ASP  94           HA       ASP  94 -20.495   3.519  -9.459
  659   1HB   ASP  94          1HB       ASP  94 -19.360   4.811  -6.984
  660   2HB   ASP  94          2HB       ASP  94 -19.027   5.586  -8.520
  661    H    LYS  95           H        LYS  95 -19.068   2.061 -10.695
  662    HA   LYS  95           HA       LYS  95 -16.460   1.513 -10.257
  663   1HB   LYS  95          1HB       LYS  95 -18.284   1.503 -12.522
  664   2HB   LYS  95          2HB       LYS  95 -16.651   1.881 -13.033
  665   1HG   LYS  95          1HG       LYS  95 -17.226  -0.612 -12.944
  666   2HG   LYS  95          2HG       LYS  95 -15.763  -0.146 -12.098
  667   1HD   LYS  95          1HD       LYS  95 -16.594  -0.837 -10.098
  668   2HD   LYS  95          2HD       LYS  95 -18.068   0.085 -10.316
  669   1HE   LYS  95          1HE       LYS  95 -18.798  -2.184 -10.208
  670   2HE   LYS  95          2HE       LYS  95 -18.850  -1.791 -11.915
  671   1HZ   LYS  95          1HZ       LYS  95 -16.375  -2.877 -10.881
  672   2HZ   LYS  95          2HZ       LYS  95 -17.636  -3.903 -11.035
  673   3HZ   LYS  95          3HZ       LYS  95 -17.077  -3.096 -12.339
  674    H    GLU  96           H        GLU  96 -17.894   4.607 -11.132
  675    HA   GLU  96           HA       GLU  96 -15.751   5.824 -12.307
  676   1HB   GLU  96          1HB       GLU  96 -18.076   6.784 -10.646
  677   2HB   GLU  96          2HB       GLU  96 -16.812   7.931 -11.043
  678   1HG   GLU  96          1HG       GLU  96 -18.353   6.243 -13.072
  679   2HG   GLU  96          2HG       GLU  96 -18.654   7.936 -12.734
  680    H    LEU  97           H        LEU  97 -16.359   5.023  -8.892
  681    HA   LEU  97           HA       LEU  97 -13.959   6.504  -8.126
  682   1HB   LEU  97          1HB       LEU  97 -16.487   6.049  -6.918
  683   2HB   LEU  97          2HB       LEU  97 -15.287   5.241  -5.930
  684    HG   LEU  97           HG       LEU  97 -14.855   8.091  -6.793
  685   1HD1  LEU  97          1HD1      LEU  97 -17.037   7.163  -5.151
  686   2HD1  LEU  97          2HD1      LEU  97 -15.920   8.164  -4.193
  687   3HD1  LEU  97          3HD1      LEU  97 -16.637   8.813  -5.687
  688   1HD2  LEU  97          1HD2      LEU  97 -13.320   6.287  -5.367
  689   2HD2  LEU  97          2HD2      LEU  97 -13.125   8.056  -5.387
  690   3HD2  LEU  97          3HD2      LEU  97 -14.075   7.280  -4.097
  691    H    LYS  98           H        LYS  98 -14.497   3.691  -9.586
  692    HA   LYS  98           HA       LYS  98 -12.910   2.068  -7.752
  693   1HB   LYS  98          1HB       LYS  98 -15.048   1.191  -8.748
  694   2HB   LYS  98          2HB       LYS  98 -14.287   1.250 -10.325
  695   1HG   LYS  98          1HG       LYS  98 -13.885  -0.974  -9.635
  696   2HG   LYS  98          2HG       LYS  98 -12.375  -0.172  -9.252
  697   1HD   LYS  98          1HD       LYS  98 -13.049   0.077  -6.892
  698   2HD   LYS  98          2HD       LYS  98 -14.640  -0.570  -7.241
  699   1HE   LYS  98          1HE       LYS  98 -12.356  -2.308  -8.077
  700   2HE   LYS  98          2HE       LYS  98 -12.524  -2.084  -6.347
  701   1HZ   LYS  98          1HZ       LYS  98 -15.049  -2.521  -7.194
  702   2HZ   LYS  98          2HZ       LYS  98 -14.177  -3.541  -8.125
  703   3HZ   LYS  98          3HZ       LYS  98 -14.074  -3.631  -6.497
  704    H    LYS  99           H        LYS  99 -12.970   3.223 -11.189
  705    HA   LYS  99           HA       LYS  99 -10.593   2.179 -12.015
  706   1HB   LYS  99          1HB       LYS  99 -12.174   4.621 -12.728
  707   2HB   LYS  99          2HB       LYS  99 -10.562   4.450 -13.395
  708   1HG   LYS  99          1HG       LYS  99 -11.148   2.658 -14.727
  709   2HG   LYS  99          2HG       LYS  99 -12.233   1.981 -13.528
  710   1HD   LYS  99          1HD       LYS  99 -13.733   2.696 -15.194
  711   2HD   LYS  99          2HD       LYS  99 -13.774   4.039 -14.069
  712   1HE   LYS  99          1HE       LYS  99 -11.757   4.954 -15.574
  713   2HE   LYS  99          2HE       LYS  99 -12.434   3.872 -16.775
  714   1HZ   LYS  99          1HZ       LYS  99 -14.303   5.569 -15.378
  715   2HZ   LYS  99          2HZ       LYS  99 -13.297   6.311 -16.430
  716   3HZ   LYS  99          3HZ       LYS  99 -14.281   5.113 -16.946
  717    H    LYS 100           H        LYS 100 -11.181   5.165 -10.082
  718    HA   LYS 100           HA       LYS 100  -8.283   5.450  -9.814
  719   1HB   LYS 100          1HB       LYS 100 -10.206   7.315 -10.394
  720   2HB   LYS 100          2HB       LYS 100 -10.049   7.516  -8.661
  721   1HG   LYS 100          1HG       LYS 100  -7.688   7.973  -8.815
  722   2HG   LYS 100          2HG       LYS 100  -7.599   7.379 -10.461
  723   1HD   LYS 100          1HD       LYS 100  -8.759   9.282 -11.341
  724   2HD   LYS 100          2HD       LYS 100  -9.373   9.747  -9.767
  725   1HE   LYS 100          1HE       LYS 100  -7.525  10.995  -9.329
  726   2HE   LYS 100          2HE       LYS 100  -6.459   9.650  -9.687
  727   1HZ   LYS 100          1HZ       LYS 100  -6.751  10.177 -12.044
  728   2HZ   LYS 100          2HZ       LYS 100  -7.641  11.489 -11.650
  729   3HZ   LYS 100          3HZ       LYS 100  -6.069  11.407 -11.214
  730    H    LEU 101           H        LEU 101  -8.061   3.576  -8.415
  731    HA   LEU 101           HA       LEU 101  -7.689   3.975  -5.860
  732   1HB   LEU 101          1HB       LEU 101 -10.611   3.902  -6.308
  733   2HB   LEU 101          2HB       LEU 101 -10.022   2.935  -4.971
  734    HG   LEU 101           HG       LEU 101 -10.557   5.707  -5.025
  735   1HD1  LEU 101          1HD1      LEU 101 -10.170   3.609  -3.161
  736   2HD1  LEU 101          2HD1      LEU 101  -9.138   4.966  -2.650
  737   3HD1  LEU 101          3HD1      LEU 101 -10.884   5.217  -2.890
  738   1HD2  LEU 101          1HD2      LEU 101  -8.193   5.855  -5.960
  739   2HD2  LEU 101          2HD2      LEU 101  -8.546   6.815  -4.503
  740   3HD2  LEU 101          3HD2      LEU 101  -7.640   5.289  -4.366
  741    H    THR 102           H        THR 102  -9.329   1.841  -8.209
  742    HA   THR 102           HA       THR 102  -7.550  -0.301  -7.396
  743    HB   THR 102           HB       THR 102  -9.280  -1.829  -6.785
  744    HG1  THR 102           HG1      THR 102 -10.675  -1.263  -8.599
  745   1HG2  THR 102          1HG2      THR 102 -10.295   0.919  -5.882
  746   2HG2  THR 102          2HG2      THR 102 -10.801  -0.641  -5.191
  747   3HG2  THR 102          3HG2      THR 102  -9.121  -0.087  -4.999
  748    H    GLY 103           H        GLY 103  -8.219   1.638  -9.716
  749   1HA   GLY 103          2HA       GLY 103  -8.719   1.487 -11.957
  750   2HA   GLY 103          1HA       GLY 103  -9.050  -0.226 -11.791
  751    H    CYS 104           H        CYS 104  -7.376  -1.771 -12.029
  752    HA   CYS 104           HA       CYS 104  -4.741  -1.481 -11.831
  753   1HB   CYS 104          1HB       CYS 104  -6.136  -2.973 -14.063
  754   2HB   CYS 104          2HB       CYS 104  -4.484  -3.227 -13.537
  755    H    LYS 105           H        LYS 105  -6.676  -0.815 -14.845
  756    HA   LYS 105           HA       LYS 105  -4.432   0.839 -15.763
  757   1HB   LYS 105          1HB       LYS 105  -4.869  -1.014 -17.247
  758   2HB   LYS 105          2HB       LYS 105  -6.580  -0.643 -17.302
  759   1HG   LYS 105          1HG       LYS 105  -5.686   1.757 -18.122
  760   2HG   LYS 105          2HG       LYS 105  -4.277   0.825 -18.586
  761   1HD   LYS 105          1HD       LYS 105  -7.137   0.513 -19.563
  762   2HD   LYS 105          2HD       LYS 105  -5.695   0.809 -20.514
  763   1HE   LYS 105          1HE       LYS 105  -4.836  -1.472 -19.897
  764   2HE   LYS 105          2HE       LYS 105  -6.300  -1.766 -18.980
  765   1HZ   LYS 105          1HZ       LYS 105  -7.516  -1.319 -21.085
  766   2HZ   LYS 105          2HZ       LYS 105  -6.085  -1.334 -21.872
  767   3HZ   LYS 105          3HZ       LYS 105  -6.606  -2.675 -21.099
  768    H    GLY 106           H        GLY 106  -5.016   2.687 -14.502
  769   1HA   GLY 106          2HA       GLY 106  -7.588   3.915 -15.294
  770   2HA   GLY 106          1HA       GLY 106  -6.077   4.804 -15.316
  771    H    SER 107           H        SER 107  -4.880   3.630 -12.925
  772    HA   SER 107           HA       SER 107  -6.702   4.773 -10.954
  773   1HB   SER 107          1HB       SER 107  -5.596   3.203  -9.290
  774   2HB   SER 107          2HB       SER 107  -6.598   2.416 -10.493
  775    HG   SER 107           HG       SER 107  -4.892   1.307 -11.130
  776    H    ALA 108           H        ALA 108  -5.418   5.559  -8.915
  777    HA   ALA 108           HA       ALA 108  -3.373   7.312  -9.859
  778   1HB   ALA 108          3HB       ALA 108  -3.659   8.386  -7.816
  779   2HB   ALA 108          1HB       ALA 108  -5.246   7.604  -8.016
  780   3HB   ALA 108          2HB       ALA 108  -4.021   6.874  -6.950
  781    H    CYS 109           H        CYS 109  -3.324   4.058  -9.247
  782    HA   CYS 109           HA       CYS 109  -0.694   4.172  -7.974
  783   1HB   CYS 109          1HB       CYS 109  -2.601   1.825  -8.262
  784   2HB   CYS 109          2HB       CYS 109  -1.027   1.766  -7.493
  785    H    HIS 110           H        HIS 110  -2.555   2.338 -10.415
  786    HA   HIS 110           HA       HIS 110  -0.091   2.192 -12.122
  787   1HB   HIS 110          1HB       HIS 110  -2.440   0.222 -12.013
  788   2HB   HIS 110          2HB       HIS 110  -0.892   0.053 -12.948
  789    HD1  HIS 110           HD1      HIS 110   1.158   0.565 -10.861
  790    HD2  HIS 110           HD2      HIS 110  -2.267  -1.707 -10.102
  791    HE1  HIS 110           HE1      HIS 110   1.738  -0.965  -8.870
  792    HA   PRO 111           HA       PRO 111  -2.985   4.601 -14.640
  793   1HB   PRO 111          1HB       PRO 111  -1.334   6.682 -15.184
  794   2HB   PRO 111          2HB       PRO 111  -2.101   6.500 -13.573
  795   1HG   PRO 111          1HG       PRO 111   0.643   5.728 -14.545
  796   2HG   PRO 111          2HG       PRO 111   0.350   6.470 -12.939
  797   1HD   PRO 111          1HD       PRO 111   0.746   3.724 -13.411
  798   2HD   PRO 111          2HD       PRO 111  -0.134   4.385 -12.000
  799    H    SER 112           H        SER 112  -3.160   4.457 -16.919
  800    HA   SER 112           HA       SER 112  -0.969   4.434 -18.590
  801   1HB   SER 112          1HB       SER 112  -1.654   1.789 -19.173
  802   2HB   SER 112          2HB       SER 112  -0.182   2.322 -18.386
  803    HG   SER 112           HG       SER 112  -2.225   0.843 -17.350

  No H/Q in entry =         803
  Start of MODEL    6
    1    H1   VAL   1           H1       VAL   1   7.986  11.636  13.459
    2    H2   VAL   1           H2       VAL   1   9.004  10.767  14.434
    3    H3   VAL   1           H3       VAL   1   8.482  12.265  14.909
    4    HA   VAL   1           HA       VAL   1  10.171  13.196  14.025
    5    HB   VAL   1           HB       VAL   1  11.715  11.613  14.350
    6   1HG1  VAL   1          1HG1      VAL   1   9.748   9.718  13.070
    7   2HG1  VAL   1          2HG1      VAL   1  11.427   9.219  13.386
    8   3HG1  VAL   1          3HG1      VAL   1  10.383   9.732  14.733
    9   1HG2  VAL   1          1HG2      VAL   1  11.934  12.522  11.897
   10   2HG2  VAL   1          2HG2      VAL   1  12.975  11.190  12.454
   11   3HG2  VAL   1          3HG2      VAL   1  11.547  10.844  11.449
   12    H    ASP   2           H        ASP   2   8.906  14.573  12.700
   13    HA   ASP   2           HA       ASP   2   7.941  15.304  10.872
   14   1HB   ASP   2          1HB       ASP   2  10.602  15.256  10.525
   15   2HB   ASP   2          2HB       ASP   2  10.201  14.124   9.249
   16    H    VAL   3           H        VAL   3   8.219  14.394   8.080
   17    HA   VAL   3           HA       VAL   3   7.504  11.622   7.993
   18    HB   VAL   3           HB       VAL   3   5.446  12.988   8.775
   19   1HG1  VAL   3          1HG1      VAL   3   5.825  14.730   6.941
   20   2HG1  VAL   3          2HG1      VAL   3   5.176  13.520   5.808
   21   3HG1  VAL   3          3HG1      VAL   3   4.164  14.122   7.143
   22   1HG2  VAL   3          1HG2      VAL   3   5.535  10.595   7.930
   23   2HG2  VAL   3          2HG2      VAL   3   3.980  11.437   7.726
   24   3HG2  VAL   3          3HG2      VAL   3   5.071  11.233   6.334
   25    HA   PRO   4           HA       PRO   4   9.573  11.889   4.171
   26   1HB   PRO   4          1HB       PRO   4   7.348  10.075   3.217
   27   2HB   PRO   4          2HB       PRO   4   9.129   9.882   3.135
   28   1HG   PRO   4          1HG       PRO   4   7.671   8.504   5.026
   29   2HG   PRO   4          2HG       PRO   4   9.330   9.185   5.030
   30   1HD   PRO   4          1HD       PRO   4   6.786  10.177   6.373
   31   2HD   PRO   4          2HD       PRO   4   8.474  10.232   6.966
   32    H    ALA   5           H        ALA   5   9.435  13.418   2.512
   33    HA   ALA   5           HA       ALA   5   7.099  14.972   2.301
   34   1HB   ALA   5          2HB       ALA   5   8.627  15.464   0.026
   35   2HB   ALA   5          3HB       ALA   5   8.797  16.283   1.597
   36   3HB   ALA   5          1HB       ALA   5   9.823  14.882   1.208
   37    H    ASP   6           H        ASP   6   6.086  15.393   0.010
   38    HA   ASP   6           HA       ASP   6   4.957  12.910  -0.748
   39   1HB   ASP   6          1HB       ASP   6   4.525  15.330  -2.454
   40   2HB   ASP   6          2HB       ASP   6   3.349  14.195  -1.821
   41    H    GLY   7           H        GLY   7   4.767  12.400  -3.241
   42   1HA   GLY   7          2HA       GLY   7   6.983  13.348  -4.862
   43   2HA   GLY   7          1HA       GLY   7   5.664  12.304  -5.351
   44    H    ALA   8           H        ALA   8   6.113  10.590  -2.816
   45    HA   ALA   8           HA       ALA   8   8.720   9.448  -3.341
   46   1HB   ALA   8          2HB       ALA   8   6.544   8.580  -1.399
   47   2HB   ALA   8          1HB       ALA   8   7.788   9.799  -1.029
   48   3HB   ALA   8          3HB       ALA   8   8.262   8.117  -1.368
   49    H    LYS   9           H        LYS   9   9.047   7.887  -4.839
   50    HA   LYS   9           HA       LYS   9   6.691   6.523  -5.877
   51   1HB   LYS   9          1HB       LYS   9   7.855   6.221  -7.843
   52   2HB   LYS   9          2HB       LYS   9   8.497   7.756  -7.291
   53   1HG   LYS   9          1HG       LYS   9   9.820   5.058  -6.740
   54   2HG   LYS   9          2HG       LYS   9  10.265   6.113  -8.067
   55   1HD   LYS   9          1HD       LYS   9  10.556   7.951  -6.193
   56   2HD   LYS   9          2HD       LYS   9  10.596   6.592  -5.088
   57   1HE   LYS   9          1HE       LYS   9  12.890   7.070  -5.695
   58   2HE   LYS   9          2HE       LYS   9  12.454   5.576  -6.500
   59   1HZ   LYS   9          1HZ       LYS   9  11.864   7.906  -8.032
   60   2HZ   LYS   9          2HZ       LYS   9  13.457   7.731  -7.714
   61   3HZ   LYS   9          3HZ       LYS   9  12.639   6.539  -8.474
   62    H    ILE  10           H        ILE  10   6.188   4.473  -5.311
   63    HA   ILE  10           HA       ILE  10   8.177   3.042  -3.722
   64    HB   ILE  10           HB       ILE  10   5.207   2.600  -4.053
   65   1HG1  ILE  10          1HG1      ILE  10   6.783   3.883  -1.802
   66   2HG1  ILE  10          2HG1      ILE  10   5.706   4.706  -2.913
   67   1HG2  ILE  10          1HG2      ILE  10   7.222   0.836  -3.132
   68   2HG2  ILE  10          2HG2      ILE  10   6.325   1.400  -1.702
   69   3HG2  ILE  10          3HG2      ILE  10   5.455   0.637  -3.054
   70   1HD1  ILE  10          1HD1      ILE  10   3.898   2.983  -2.092
   71   2HD1  ILE  10          2HD1      ILE  10   5.012   2.724  -0.728
   72   3HD1  ILE  10          3HD1      ILE  10   4.333   4.342  -1.028
   73    H    ASP  11           H        ASP  11   9.403   1.528  -4.694
   74    HA   ASP  11           HA       ASP  11   8.156  -0.212  -6.580
   75   1HB   ASP  11          1HB       ASP  11   8.845   1.540  -8.118
   76   2HB   ASP  11          2HB       ASP  11  10.417   1.678  -7.356
   77    H    PHE  12           H        PHE  12   8.769  -1.580  -4.640
   78    HA   PHE  12           HA       PHE  12  11.591  -1.876  -4.127
   79   1HB   PHE  12          1HB       PHE  12   8.951  -3.067  -3.126
   80   2HB   PHE  12          2HB       PHE  12  10.477  -3.748  -2.600
   81    HD1  PHE  12           HD1      PHE  12  12.144  -2.155  -1.456
   82    HD2  PHE  12           HD2      PHE  12   8.044  -1.218  -2.023
   83    HE1  PHE  12           HE1      PHE  12  12.287  -0.430   0.361
   84    HE2  PHE  12           HE2      PHE  12   8.187   0.508  -0.206
   85    HZ   PHE  12           HZ       PHE  12  10.307   0.881   0.964
   86    H    ILE  13           H        ILE  13   9.257  -3.163  -6.315
   87    HA   ILE  13           HA       ILE  13  10.279  -5.814  -6.427
   88    HB   ILE  13           HB       ILE  13   8.200  -4.213  -7.695
   89   1HG1  ILE  13          1HG1      ILE  13   7.417  -6.799  -7.887
   90   2HG1  ILE  13          2HG1      ILE  13   8.623  -6.952  -6.625
   91   1HG2  ILE  13          1HG2      ILE  13   9.829  -6.114  -9.378
   92   2HG2  ILE  13          2HG2      ILE  13   8.110  -5.790  -9.710
   93   3HG2  ILE  13          3HG2      ILE  13   9.291  -4.459  -9.754
   94   1HD1  ILE  13          1HD1      ILE  13   6.737  -4.637  -6.366
   95   2HD1  ILE  13          2HD1      ILE  13   6.051  -6.260  -6.117
   96   3HD1  ILE  13          3HD1      ILE  13   7.408  -5.704  -5.109
   97    H    ALA  14           H        ALA  14  12.302  -6.298  -7.080
   98    HA   ALA  14           HA       ALA  14  13.836  -4.467  -8.603
   99   1HB   ALA  14          3HB       ALA  14  15.502  -5.749  -7.801
  100   2HB   ALA  14          1HB       ALA  14  14.263  -6.722  -6.971
  101   3HB   ALA  14          2HB       ALA  14  14.838  -7.202  -8.586
  102    H    GLY  15           H        GLY  15  11.868  -4.391 -10.250
  103   1HA   GLY  15          2HA       GLY  15  10.814  -5.482 -12.085
  104   2HA   GLY  15          1HA       GLY  15  12.215  -6.519 -12.264
  105    H    GLY  16           H        GLY  16  13.339  -6.044 -14.096
  106   1HA   GLY  16          2HA       GLY  16  14.316  -4.872 -15.745
  107   2HA   GLY  16          1HA       GLY  16  14.632  -3.637 -14.543
  108    H    GLU  17           H        GLU  17  14.124  -2.944 -17.227
  109    HA   GLU  17           HA       GLU  17  12.343  -0.954 -17.001
  110   1HB   GLU  17          1HB       GLU  17  14.021  -1.497 -18.895
  111   2HB   GLU  17          2HB       GLU  17  12.745  -2.460 -19.613
  112   1HG   GLU  17          1HG       GLU  17  11.381  -0.592 -20.053
  113   2HG   GLU  17          2HG       GLU  17  12.098   0.369 -18.775
  114    H    LYS  18           H        LYS  18  10.237  -0.716 -18.479
  115    HA   LYS  18           HA       LYS  18   8.135  -1.277 -18.862
  116   1HB   LYS  18          1HB       LYS  18   9.509  -3.479 -19.715
  117   2HB   LYS  18          2HB       LYS  18   8.436  -4.201 -18.534
  118   1HG   LYS  18          1HG       LYS  18   6.558  -2.765 -19.700
  119   2HG   LYS  18          2HG       LYS  18   7.704  -2.614 -21.017
  120   1HD   LYS  18          1HD       LYS  18   7.676  -5.383 -20.244
  121   2HD   LYS  18          2HD       LYS  18   6.005  -4.865 -20.352
  122   1HE   LYS  18          1HE       LYS  18   6.106  -4.532 -22.634
  123   2HE   LYS  18          2HE       LYS  18   7.744  -3.910 -22.581
  124   1HZ   LYS  18          1HZ       LYS  18   8.455  -6.225 -22.148
  125   2HZ   LYS  18          2HZ       LYS  18   6.928  -6.725 -22.440
  126   3HZ   LYS  18          3HZ       LYS  18   7.790  -6.001 -23.622
  127    H    ASN  19           H        ASN  19   9.549  -1.138 -16.073
  128    HA   ASN  19           HA       ASN  19   7.753  -2.684 -14.483
  129   1HB   ASN  19          1HB       ASN  19   9.022  -1.835 -12.592
  130   2HB   ASN  19          2HB       ASN  19  10.184  -2.160 -13.863
  131   2HD2  ASN  19          1HD2      ASN  19   9.964  -0.229 -11.521
  132   1HD2  ASN  19          2HD2      ASN  19  10.384   1.321 -12.170
  133    H    LEU  20           H        LEU  20   7.081  -1.014 -12.350
  134    HA   LEU  20           HA       LEU  20   5.905   1.395 -13.482
  135   1HB   LEU  20          1HB       LEU  20   4.095  -0.280 -11.831
  136   2HB   LEU  20          2HB       LEU  20   3.728   0.875 -13.097
  137    HG   LEU  20           HG       LEU  20   5.014  -1.778 -13.736
  138   1HD1  LEU  20          1HD1      LEU  20   2.803  -1.919 -12.358
  139   2HD1  LEU  20          2HD1      LEU  20   2.038  -1.415 -13.884
  140   3HD1  LEU  20          3HD1      LEU  20   3.004  -2.909 -13.823
  141   1HD2  LEU  20          1HD2      LEU  20   4.377   0.475 -15.267
  142   2HD2  LEU  20          2HD2      LEU  20   4.835  -1.141 -15.856
  143   3HD2  LEU  20          3HD2      LEU  20   3.117  -0.722 -15.652
  144    H    THR  21           H        THR  21   5.473   3.023 -11.901
  145    HA   THR  21           HA       THR  21   6.506   2.372  -9.221
  146    HB   THR  21           HB       THR  21   6.941   5.098 -10.439
  147    HG1  THR  21           HG1      THR  21   7.668   3.711 -12.126
  148   1HG2  THR  21          1HG2      THR  21   7.749   4.202  -8.083
  149   2HG2  THR  21          2HG2      THR  21   8.959   3.307  -9.035
  150   3HG2  THR  21          3HG2      THR  21   8.910   5.085  -9.103
  151    H    VAL  22           H        VAL  22   5.322   3.048  -7.505
  152    HA   VAL  22           HA       VAL  22   2.880   4.516  -8.203
  153    HB   VAL  22           HB       VAL  22   3.570   2.461  -6.122
  154   1HG1  VAL  22          1HG1      VAL  22   1.696   4.715  -5.844
  155   2HG1  VAL  22          2HG1      VAL  22   0.962   3.120  -5.556
  156   3HG1  VAL  22          3HG1      VAL  22   2.381   3.630  -4.611
  157   1HG2  VAL  22          1HG2      VAL  22   2.654   1.904  -8.451
  158   2HG2  VAL  22          2HG2      VAL  22   1.798   1.210  -7.053
  159   3HG2  VAL  22          3HG2      VAL  22   1.125   2.627  -7.896
  160    H    VAL  23           H        VAL  23   2.596   6.556  -7.434
  161    HA   VAL  23           HA       VAL  23   4.695   7.599  -5.721
  162    HB   VAL  23           HB       VAL  23   2.497   8.799  -7.396
  163   1HG1  VAL  23          1HG1      VAL  23   3.864   9.967  -5.066
  164   2HG1  VAL  23          2HG1      VAL  23   3.983  10.952  -6.543
  165   3HG1  VAL  23          3HG1      VAL  23   2.386  10.485  -5.911
  166   1HG2  VAL  23          1HG2      VAL  23   4.970   7.983  -8.123
  167   2HG2  VAL  23          2HG2      VAL  23   4.120   9.349  -8.885
  168   3HG2  VAL  23          3HG2      VAL  23   5.335   9.651  -7.620
  169    H    PHE  24           H        PHE  24   4.438   8.126  -3.586
  170    HA   PHE  24           HA       PHE  24   1.720   7.788  -2.525
  171   1HB   PHE  24          1HB       PHE  24   3.400   6.023  -1.869
  172   2HB   PHE  24          2HB       PHE  24   4.514   7.268  -1.342
  173    HD1  PHE  24           HD1      PHE  24   3.557   8.890   0.516
  174    HD2  PHE  24           HD2      PHE  24   2.056   5.003  -0.290
  175    HE1  PHE  24           HE1      PHE  24   2.577   8.790   2.825
  176    HE2  PHE  24           HE2      PHE  24   1.076   4.903   2.019
  177    HZ   PHE  24           HZ       PHE  24   1.348   6.798   3.548
  178    H    ASN  25           H        ASN  25   1.048   9.216  -0.820
  179    HA   ASN  25           HA       ASN  25   2.862  11.414  -0.305
  180   1HB   ASN  25          1HB       ASN  25  -0.051  12.067  -0.773
  181   2HB   ASN  25          2HB       ASN  25   1.354  13.092  -0.993
  182   2HD2  ASN  25          1HD2      ASN  25   1.043  13.720  -3.040
  183   1HD2  ASN  25          2HD2      ASN  25   1.041  12.679  -4.424
  184    H    HIS  26           H        HIS  26   2.930  11.633   1.849
  185    HA   HIS  26           HA       HIS  26   1.112  10.249   3.629
  186   1HB   HIS  26          1HB       HIS  26   3.571  11.986   3.828
  187   2HB   HIS  26          2HB       HIS  26   2.521  11.837   5.302
  188    HD1  HIS  26           HD1      HIS  26   4.796   9.903   3.069
  189    HD2  HIS  26           HD2      HIS  26   2.644   9.351   6.609
  190    HE1  HIS  26           HE1      HIS  26   5.655   7.701   4.096
  191    H    SER  27           H        SER  27   0.794  13.152   1.867
  192    HA   SER  27           HA       SER  27  -0.810  14.383   3.939
  193   1HB   SER  27          1HB       SER  27  -0.910  16.321   2.350
  194   2HB   SER  27          2HB       SER  27   0.726  15.881   2.796
  195    HG   SER  27           HG       SER  27   0.918  16.011   0.623
  196    H    THR  28           H        THR  28  -1.681  11.861   2.729
  197    HA   THR  28           HA       THR  28  -4.291  12.709   1.867
  198    HB   THR  28           HB       THR  28  -4.013  11.198  -0.255
  199    HG1  THR  28           HG1      THR  28  -1.901  10.577  -0.570
  200   1HG2  THR  28          1HG2      THR  28  -3.933  13.863  -0.119
  201   2HG2  THR  28          2HG2      THR  28  -2.194  13.619  -0.407
  202   3HG2  THR  28          3HG2      THR  28  -3.383  13.038  -1.598
  203    H    HIS  29           H        HIS  29  -3.071  11.401   4.101
  204    HA   HIS  29           HA       HIS  29  -4.905   9.174   4.338
  205   1HB   HIS  29          1HB       HIS  29  -1.914   8.636   3.978
  206   2HB   HIS  29          2HB       HIS  29  -3.040   7.472   4.799
  207    HD1  HIS  29           HD1      HIS  29  -1.722   8.429   1.578
  208    HD2  HIS  29           HD2      HIS  29  -5.158   6.497   2.968
  209    HE1  HIS  29           HE1      HIS  29  -2.717   7.185  -0.449
  210    H    LYS  30           H        LYS  30  -4.295  11.744   5.652
  211    HA   LYS  30           HA       LYS  30  -3.011  11.023   8.130
  212   1HB   LYS  30          1HB       LYS  30  -4.439  13.592   7.394
  213   2HB   LYS  30          2HB       LYS  30  -3.327  13.342   8.725
  214   1HG   LYS  30          1HG       LYS  30  -1.511  12.779   7.072
  215   2HG   LYS  30          2HG       LYS  30  -2.629  13.097   5.760
  216   1HD   LYS  30          1HD       LYS  30  -2.498  15.380   6.016
  217   2HD   LYS  30          2HD       LYS  30  -2.461  15.289   7.765
  218   1HE   LYS  30          1HE       LYS  30  -0.020  14.128   6.655
  219   2HE   LYS  30          2HE       LYS  30  -0.259  15.741   6.014
  220   1HZ   LYS  30          1HZ       LYS  30  -0.854  16.009   8.624
  221   2HZ   LYS  30          2HZ       LYS  30   0.385  14.946   8.660
  222   3HZ   LYS  30          3HZ       LYS  30   0.575  16.398   7.938
  223    H    ASP  31           H        ASP  31  -6.290  11.429   6.780
  224    HA   ASP  31           HA       ASP  31  -7.491  11.275   9.350
  225   1HB   ASP  31          1HB       ASP  31  -9.518  11.604   8.221
  226   2HB   ASP  31          2HB       ASP  31  -8.382  12.370   7.128
  227    H    VAL  32           H        VAL  32  -5.774   9.062   7.633
  228    HA   VAL  32           HA       VAL  32  -7.636   6.860   7.706
  229    HB   VAL  32           HB       VAL  32  -4.887   7.393   6.710
  230   1HG1  VAL  32          1HG1      VAL  32  -5.800   4.751   7.788
  231   2HG1  VAL  32          2HG1      VAL  32  -4.841   4.774   6.288
  232   3HG1  VAL  32          3HG1      VAL  32  -4.179   5.485   7.779
  233   1HG2  VAL  32          1HG2      VAL  32  -7.502   6.800   5.651
  234   2HG2  VAL  32          2HG2      VAL  32  -6.030   7.323   4.797
  235   3HG2  VAL  32          3HG2      VAL  32  -6.330   5.590   5.074
  236    H    LYS  33           H        LYS  33  -4.289   7.269   9.063
  237    HA   LYS  33           HA       LYS  33  -4.723   7.133  11.677
  238   1HB   LYS  33          1HB       LYS  33  -5.557   4.575  10.478
  239   2HB   LYS  33          2HB       LYS  33  -4.421   4.399  11.800
  240   1HG   LYS  33          1HG       LYS  33  -5.937   5.104  13.366
  241   2HG   LYS  33          2HG       LYS  33  -6.517   6.413  12.356
  242   1HD   LYS  33          1HD       LYS  33  -8.301   5.197  11.638
  243   2HD   LYS  33          2HD       LYS  33  -7.293   3.824  11.226
  244   1HE   LYS  33          1HE       LYS  33  -8.305   4.498  14.031
  245   2HE   LYS  33          2HE       LYS  33  -8.949   3.240  12.995
  246   1HZ   LYS  33          1HZ       LYS  33  -6.136   3.046  13.318
  247   2HZ   LYS  33          2HZ       LYS  33  -6.927   2.948  14.744
  248   3HZ   LYS  33          3HZ       LYS  33  -7.287   1.908  13.537
  249    H    CYS  34           H        CYS  34  -2.727   7.731  12.306
  250    HA   CYS  34           HA       CYS  34  -0.487   7.286  10.713
  251   1HB   CYS  34          1HB       CYS  34  -0.803   9.146  12.344
  252   2HB   CYS  34          2HB       CYS  34  -0.557   8.005  13.650
  253    H    ASP  35           H        ASP  35  -2.252   5.241  12.856
  254    HA   ASP  35           HA       ASP  35   0.075   3.497  13.074
  255   1HB   ASP  35          1HB       ASP  35  -0.914   2.571  15.114
  256   2HB   ASP  35          2HB       ASP  35  -0.784   4.311  15.275
  257    H    ASP  36           H        ASP  36  -1.718   3.693  10.766
  258    HA   ASP  36           HA       ASP  36  -3.298   1.268  11.090
  259   1HB   ASP  36          1HB       ASP  36  -4.843   2.803  10.295
  260   2HB   ASP  36          2HB       ASP  36  -3.622   3.788   9.512
  261    H    CYS  37           H        CYS  37  -0.673   2.941   9.390
  262    HA   CYS  37           HA       CYS  37  -0.419   0.685   7.547
  263   1HB   CYS  37          1HB       CYS  37   0.782   3.470   7.385
  264   2HB   CYS  37          2HB       CYS  37   1.069   2.180   6.233
  265    H    HIS  38           H        HIS  38   0.989   2.575  10.122
  266    HA   HIS  38           HA       HIS  38   3.478   0.918  10.104
  267   1HB   HIS  38          1HB       HIS  38   2.776   3.573  11.475
  268   2HB   HIS  38          2HB       HIS  38   4.353   2.688  11.647
  269    HD1  HIS  38           HD1      HIS  38   5.596   2.335   9.262
  270    HD2  HIS  38           HD2      HIS  38   2.814   5.445   9.501
  271    HE1  HIS  38           HE1      HIS  38   6.146   3.941   7.322
  272    H    HIS  39           H        HIS  39   3.056  -0.910  11.110
  273    HA   HIS  39           HA       HIS  39   1.747  -0.804  13.807
  274   1HB   HIS  39          1HB       HIS  39   0.852  -2.958  13.426
  275   2HB   HIS  39          2HB       HIS  39   0.575  -2.020  11.896
  276    HD1  HIS  39           HD1      HIS  39   2.346  -4.957  13.299
  277    HD2  HIS  39           HD2      HIS  39   1.998  -2.983   9.632
  278    HE1  HIS  39           HE1      HIS  39   3.330  -6.550  11.529
  279    H    GLN  40           H        GLN  40   4.628  -0.249  13.096
  280    HA   GLN  40           HA       GLN  40   5.948  -2.594  14.112
  281   1HB   GLN  40          1HB       GLN  40   6.718  -0.158  12.643
  282   2HB   GLN  40          2HB       GLN  40   7.850  -0.547  13.922
  283   1HG   GLN  40          1HG       GLN  40   8.464  -1.659  11.776
  284   2HG   GLN  40          2HG       GLN  40   8.148  -2.826  13.044
  285   2HE2  GLN  40          1HE2      GLN  40   6.709  -4.366  12.728
  286   1HE2  GLN  40          2HE2      GLN  40   5.576  -4.469  11.422
  287    HA   PRO  41           HA       PRO  41   6.021  -1.016  18.244
  288   1HB   PRO  41          1HB       PRO  41   7.447  -2.948  19.431
  289   2HB   PRO  41          2HB       PRO  41   5.914  -3.364  18.597
  290   1HG   PRO  41          1HG       PRO  41   8.700  -3.376  17.517
  291   2HG   PRO  41          2HG       PRO  41   7.683  -4.841  17.328
  292   1HD   PRO  41          1HD       PRO  41   7.943  -3.068  15.296
  293   2HD   PRO  41          2HD       PRO  41   6.337  -3.766  15.663
  294    H    GLY  42           H        GLY  42   7.550  -0.028  19.809
  295   1HA   GLY  42          2HA       GLY  42  10.344   0.083  19.112
  296   2HA   GLY  42          1HA       GLY  42   9.537   0.876  20.450
  297    H    ASP  43           H        ASP  43  11.470   2.260  18.973
  298    HA   ASP  43           HA       ASP  43   9.822   4.370  17.951
  299   1HB   ASP  43          1HB       ASP  43  12.592   4.042  18.971
  300   2HB   ASP  43          2HB       ASP  43  12.478   5.157  17.624
  301    H    LYS  44           H        LYS  44  10.588   1.609  16.578
  302    HA   LYS  44           HA       LYS  44  11.795   2.723  14.151
  303   1HB   LYS  44          1HB       LYS  44  11.480  -0.206  14.831
  304   2HB   LYS  44          2HB       LYS  44  12.506   0.519  13.609
  305   1HG   LYS  44          1HG       LYS  44  13.136   1.719  16.174
  306   2HG   LYS  44          2HG       LYS  44  13.144  -0.024  16.356
  307   1HD   LYS  44          1HD       LYS  44  14.702   1.563  14.261
  308   2HD   LYS  44          2HD       LYS  44  15.382   0.795  15.682
  309   1HE   LYS  44          1HE       LYS  44  14.117  -1.363  14.596
  310   2HE   LYS  44          2HE       LYS  44  14.410  -0.450  13.129
  311   1HZ   LYS  44          1HZ       LYS  44  16.747  -0.267  14.428
  312   2HZ   LYS  44          2HZ       LYS  44  16.272  -1.780  14.817
  313   3HZ   LYS  44          3HZ       LYS  44  16.416  -1.347  13.249
  314    H    GLN  45           H        GLN  45   8.934   3.020  15.166
  315    HA   GLN  45           HA       GLN  45   7.235   1.354  13.846
  316   1HB   GLN  45          1HB       GLN  45   6.658   3.177  15.516
  317   2HB   GLN  45          2HB       GLN  45   6.839   4.352  14.229
  318   1HG   GLN  45          1HG       GLN  45   4.824   3.816  13.291
  319   2HG   GLN  45          2HG       GLN  45   5.106   2.093  13.445
  320   2HE2  GLN  45          1HE2      GLN  45   3.194   4.563  14.390
  321   1HE2  GLN  45          2HE2      GLN  45   2.567   3.966  15.890
  322    H    TYR  46           H        TYR  46   9.433   3.684  12.604
  323    HA   TYR  46           HA       TYR  46   8.068   3.783   9.972
  324   1HB   TYR  46          1HB       TYR  46  10.603   5.253  10.455
  325   2HB   TYR  46          2HB       TYR  46   9.127   5.767   9.621
  326    HD1  TYR  46           HD1      TYR  46   7.095   6.402  11.030
  327    HD2  TYR  46           HD2      TYR  46  11.032   5.910  12.677
  328    HE1  TYR  46           HE1      TYR  46   6.426   7.717  13.023
  329    HE2  TYR  46           HE2      TYR  46  10.363   7.225  14.670
  330    HH   TYR  46           HH       TYR  46   7.621   7.736  15.775
  331    H    ALA  47           H        ALA  47   9.694   1.423  11.289
  332    HA   ALA  47           HA       ALA  47  12.049   1.272   9.703
  333   1HB   ALA  47          1HB       ALA  47  10.490  -0.571  11.516
  334   2HB   ALA  47          3HB       ALA  47  12.144   0.059  11.701
  335   3HB   ALA  47          2HB       ALA  47  11.806  -1.215  10.506
  336    H    GLY  48           H        GLY  48  12.442  -0.017   7.836
  337   1HA   GLY  48          2HA       GLY  48  11.941  -1.111   5.928
  338   2HA   GLY  48          1HA       GLY  48  10.630   0.047   5.814
  339    H    CYS  49           H        CYS  49   9.222  -1.499   4.793
  340    HA   CYS  49           HA       CYS  49   7.897  -3.175   6.726
  341   1HB   CYS  49          1HB       CYS  49   7.132  -2.888   3.830
  342   2HB   CYS  49          2HB       CYS  49   6.122  -3.328   5.193
  343    H    THR  50           H        THR  50   9.865  -3.368   3.722
  344    HA   THR  50           HA       THR  50   9.639  -6.258   3.651
  345    HB   THR  50           HB       THR  50  11.043  -5.937   1.589
  346    HG1  THR  50           HG1      THR  50  11.503  -3.602   1.154
  347   1HG2  THR  50          1HG2      THR  50   8.427  -4.725   2.035
  348   2HG2  THR  50          2HG2      THR  50   9.375  -3.711   0.921
  349   3HG2  THR  50          3HG2      THR  50   9.082  -5.424   0.535
  350    H    THR  51           H        THR  51  10.626  -5.432   6.130
  351    HA   THR  51           HA       THR  51  13.517  -5.789   5.946
  352    HB   THR  51           HB       THR  51  11.961  -5.444   8.520
  353    HG1  THR  51           HG1      THR  51  11.480  -3.329   7.874
  354   1HG2  THR  51          1HG2      THR  51  14.514  -5.495   8.442
  355   2HG2  THR  51          2HG2      THR  51  14.449  -4.048   7.406
  356   3HG2  THR  51          3HG2      THR  51  13.843  -3.975   9.079
  357    H    ASP  52           H        ASP  52  14.629  -7.398   7.261
  358    HA   ASP  52           HA       ASP  52  14.014  -9.881   6.725
  359   1HB   ASP  52          1HB       ASP  52  15.808  -8.626   8.427
  360   2HB   ASP  52          2HB       ASP  52  14.878  -9.586   9.561
  361    H    GLY  53           H        GLY  53  12.471 -11.439   7.351
  362   1HA   GLY  53          2HA       GLY  53  11.240 -11.591   9.854
  363   2HA   GLY  53          1HA       GLY  53  10.690 -12.350   8.373
  364    H    CYS  54           H        CYS  54  10.040 -10.227   6.703
  365    HA   CYS  54           HA       CYS  54   7.702  -9.227   8.068
  366   1HB   CYS  54          1HB       CYS  54   9.513  -7.252   6.655
  367   2HB   CYS  54          2HB       CYS  54   8.048  -6.911   7.555
  368    H    HIS  55           H        HIS  55   7.899  -7.250   5.609
  369    HA   HIS  55           HA       HIS  55   6.690  -9.167   3.662
  370   1HB   HIS  55          1HB       HIS  55   6.521  -6.114   3.624
  371   2HB   HIS  55          2HB       HIS  55   5.456  -7.328   2.793
  372    HD1  HIS  55           HD1      HIS  55   3.721  -8.517   4.248
  373    HD2  HIS  55           HD2      HIS  55   5.777  -5.470   6.237
  374    HE1  HIS  55           HE1      HIS  55   2.364  -8.007   6.378
  375    H    ASN  56           H        ASN  56   9.184  -9.741   3.440
  376    HA   ASN  56           HA       ASN  56  10.488  -7.851   1.694
  377   1HB   ASN  56          1HB       ASN  56  11.550  -9.341   3.659
  378   2HB   ASN  56          2HB       ASN  56  11.628 -10.570   2.412
  379   2HD2  ASN  56          1HD2      ASN  56  13.888  -9.603   3.594
  380   1HD2  ASN  56          2HD2      ASN  56  14.829  -8.677   2.474
  381    H    ILE  57           H        ILE  57   9.199 -11.229   1.831
  382    HA   ILE  57           HA       ILE  57   9.993 -12.268  -0.518
  383    HB   ILE  57           HB       ILE  57   7.336 -12.444   0.889
  384   1HG1  ILE  57          1HG1      ILE  57   9.957 -13.617   1.274
  385   2HG1  ILE  57          2HG1      ILE  57   8.549 -13.653   2.316
  386   1HG2  ILE  57          1HG2      ILE  57   8.317 -14.079  -1.466
  387   2HG2  ILE  57          2HG2      ILE  57   6.909 -14.479  -0.452
  388   3HG2  ILE  57          3HG2      ILE  57   6.910 -12.989  -1.426
  389   1HD1  ILE  57          1HD1      ILE  57   8.927 -15.463  -0.115
  390   2HD1  ILE  57          2HD1      ILE  57   9.269 -15.939   1.566
  391   3HD1  ILE  57          3HD1      ILE  57   7.603 -15.550   1.073
  392    H    LEU  58           H        LEU  58  10.046 -11.506  -2.556
  393    HA   LEU  58           HA       LEU  58   7.939  -9.611  -3.311
  394   1HB   LEU  58          1HB       LEU  58  10.643 -10.023  -4.588
  395   2HB   LEU  58          2HB       LEU  58   9.478  -8.769  -4.960
  396    HG   LEU  58           HG       LEU  58  11.124  -9.075  -2.443
  397   1HD1  LEU  58          1HD1      LEU  58  12.097  -8.041  -4.562
  398   2HD1  LEU  58          2HD1      LEU  58  10.963  -6.696  -4.294
  399   3HD1  LEU  58          3HD1      LEU  58  12.195  -7.079  -3.068
  400   1HD2  LEU  58          1HD2      LEU  58   8.798  -8.434  -1.868
  401   2HD2  LEU  58          2HD2      LEU  58   9.992  -7.168  -1.497
  402   3HD2  LEU  58          3HD2      LEU  58   8.954  -7.018  -2.935
  403    H    ASP  59           H        ASP  59   7.223 -12.320  -3.189
  404    HA   ASP  59           HA       ASP  59   7.173 -12.962  -6.034
  405   1HB   ASP  59          1HB       ASP  59   7.716 -14.611  -3.629
  406   2HB   ASP  59          2HB       ASP  59   6.510 -15.319  -4.685
  407    H    LYS  60           H        LYS  60   5.079 -13.892  -6.792
  408    HA   LYS  60           HA       LYS  60   2.866 -12.984  -5.120
  409   1HB   LYS  60          1HB       LYS  60   3.077 -12.083  -7.417
  410   2HB   LYS  60          2HB       LYS  60   2.940 -13.705  -8.065
  411   1HG   LYS  60          1HG       LYS  60   0.770 -13.211  -6.176
  412   2HG   LYS  60          2HG       LYS  60   0.817 -11.931  -7.372
  413   1HD   LYS  60          1HD       LYS  60   1.210 -14.593  -8.583
  414   2HD   LYS  60          2HD       LYS  60  -0.309 -14.483  -7.716
  415   1HE   LYS  60          1HE       LYS  60   0.520 -12.265  -9.619
  416   2HE   LYS  60          2HE       LYS  60  -0.211 -13.730 -10.243
  417   1HZ   LYS  60          1HZ       LYS  60  -1.777 -13.016  -8.144
  418   2HZ   LYS  60          2HZ       LYS  60  -1.429 -11.593  -8.867
  419   3HZ   LYS  60          3HZ       LYS  60  -2.124 -12.797  -9.725
  420    H    ALA  61           H        ALA  61   4.158 -15.847  -6.883
  421    HA   ALA  61           HA       ALA  61   2.021 -17.549  -6.363
  422   1HB   ALA  61          2HB       ALA  61   4.955 -18.318  -6.553
  423   2HB   ALA  61          1HB       ALA  61   3.976 -17.854  -7.965
  424   3HB   ALA  61          3HB       ALA  61   3.537 -19.292  -7.011
  425    H    ASP  62           H        ASP  62   4.339 -16.092  -4.240
  426    HA   ASP  62           HA       ASP  62   4.278 -18.207  -2.338
  427   1HB   ASP  62          1HB       ASP  62   5.725 -15.729  -2.766
  428   2HB   ASP  62          2HB       ASP  62   5.074 -15.717  -1.139
  429    H    LYS  63           H        LYS  63   3.250 -17.996  -0.170
  430    HA   LYS  63           HA       LYS  63   0.980 -16.134  -0.225
  431   1HB   LYS  63          1HB       LYS  63   1.171 -18.752   1.286
  432   2HB   LYS  63          2HB       LYS  63  -0.244 -17.738   1.089
  433   1HG   LYS  63          1HG       LYS  63   1.222 -18.892  -1.317
  434   2HG   LYS  63          2HG       LYS  63  -0.007 -19.812  -0.472
  435   1HD   LYS  63          1HD       LYS  63  -1.736 -18.484  -1.239
  436   2HD   LYS  63          2HD       LYS  63  -0.786 -17.013  -1.165
  437   1HE   LYS  63          1HE       LYS  63   0.557 -18.186  -3.180
  438   2HE   LYS  63          2HE       LYS  63  -0.950 -19.059  -3.379
  439   1HZ   LYS  63          1HZ       LYS  63  -1.995 -16.762  -3.270
  440   2HZ   LYS  63          2HZ       LYS  63  -0.497 -16.181  -3.562
  441   3HZ   LYS  63          3HZ       LYS  63  -1.212 -17.175  -4.643
  442    H    SER  64           H        SER  64   0.526 -16.920   2.696
  443    HA   SER  64           HA       SER  64   1.052 -16.216   4.682
  444   1HB   SER  64          1HB       SER  64   3.884 -15.788   3.629
  445   2HB   SER  64          2HB       SER  64   3.423 -15.807   5.320
  446    HG   SER  64           HG       SER  64   3.202 -18.010   3.450
  447    H    VAL  65           H        VAL  65   1.755 -14.150   5.949
  448    HA   VAL  65           HA       VAL  65   1.035 -11.875   4.287
  449    HB   VAL  65           HB       VAL  65   1.217 -12.299   7.274
  450   1HG1  VAL  65          1HG1      VAL  65   1.100  -9.833   5.701
  451   2HG1  VAL  65          2HG1      VAL  65  -0.252  -9.985   6.849
  452   3HG1  VAL  65          3HG1      VAL  65   1.426 -10.073   7.435
  453   1HG2  VAL  65          1HG2      VAL  65  -0.659 -13.415   5.985
  454   2HG2  VAL  65          2HG2      VAL  65  -1.167 -12.298   7.275
  455   3HG2  VAL  65          3HG2      VAL  65  -1.237 -11.783   5.573
  456    H    ASN  66           H        ASN  66   3.639 -13.054   3.851
  457    HA   ASN  66           HA       ASN  66   5.295 -10.947   5.002
  458   1HB   ASN  66          1HB       ASN  66   5.756 -13.864   4.500
  459   2HB   ASN  66          2HB       ASN  66   7.096 -12.826   4.056
  460   2HD2  ASN  66          1HD2      ASN  66   4.678 -13.092   6.663
  461   1HD2  ASN  66          2HD2      ASN  66   5.766 -12.873   7.994
  462    H    SER  67           H        SER  67   3.522 -11.486   2.374
  463    HA   SER  67           HA       SER  67   5.634 -11.062   0.432
  464   1HB   SER  67          1HB       SER  67   2.925 -12.248   0.379
  465   2HB   SER  67          2HB       SER  67   3.227 -11.174  -0.972
  466    HG   SER  67           HG       SER  67   4.202 -12.889  -1.819
  467    H    TRP  68           H        TRP  68   6.162  -8.926   0.130
  468    HA   TRP  68           HA       TRP  68   4.773  -6.763   1.003
  469   1HB   TRP  68          1HB       TRP  68   7.026  -6.549   0.305
  470   2HB   TRP  68          2HB       TRP  68   6.662  -7.089  -1.322
  471    HD1  TRP  68           HD1      TRP  68   6.639  -5.090  -2.989
  472    HE1  TRP  68           HE1      TRP  68   6.065  -2.515  -2.997
  473    HE3  TRP  68           HE3      TRP  68   5.246  -4.850   1.895
  474    HZ2  TRP  68           HZ2      TRP  68   5.115  -0.706  -1.005
  475    HZ3  TRP  68           HZ3      TRP  68   4.509  -2.641   2.785
  476    HH2  TRP  68           HH2      TRP  68   4.430  -0.614   1.421
  477    H    TYR  69           H        TYR  69   4.356  -8.722  -1.893
  478    HA   TYR  69           HA       TYR  69   2.289  -6.914  -2.968
  479   1HB   TYR  69          1HB       TYR  69   4.005  -7.944  -4.444
  480   2HB   TYR  69          2HB       TYR  69   3.387  -9.547  -4.008
  481    HD1  TYR  69           HD1      TYR  69   2.589  -6.376  -5.764
  482    HD2  TYR  69           HD2      TYR  69   1.395 -10.431  -4.998
  483    HE1  TYR  69           HE1      TYR  69   0.922  -6.232  -7.596
  484    HE2  TYR  69           HE2      TYR  69  -0.271 -10.286  -6.830
  485    HH   TYR  69           HH       TYR  69  -1.003  -9.030  -8.637
  486    H    LYS  70           H        LYS  70   1.439  -7.811  -0.481
  487    HA   LYS  70           HA       LYS  70  -0.688  -9.626  -1.308
  488   1HB   LYS  70          1HB       LYS  70   1.254 -10.877  -0.172
  489   2HB   LYS  70          2HB       LYS  70   0.772 -10.060   1.301
  490   1HG   LYS  70          1HG       LYS  70  -0.575 -11.926   1.511
  491   2HG   LYS  70          2HG       LYS  70  -1.669 -10.940   0.562
  492   1HD   LYS  70          1HD       LYS  70  -1.347 -12.184  -1.376
  493   2HD   LYS  70          2HD       LYS  70   0.316 -12.573  -0.985
  494   1HE   LYS  70          1HE       LYS  70  -2.082 -13.759   0.490
  495   2HE   LYS  70          2HE       LYS  70  -1.296 -14.544  -0.865
  496   1HZ   LYS  70          1HZ       LYS  70   0.795 -14.319   0.468
  497   2HZ   LYS  70          2HZ       LYS  70  -0.135 -13.919   1.750
  498   3HZ   LYS  70          3HZ       LYS  70  -0.301 -15.383   1.045
  499    H    VAL  71           H        VAL  71   0.624  -7.747   1.519
  500    HA   VAL  71           HA       VAL  71  -1.995  -7.111   2.417
  501    HB   VAL  71           HB       VAL  71  -0.946  -6.119   4.193
  502   1HG1  VAL  71          1HG1      VAL  71   0.007  -8.534   3.446
  503   2HG1  VAL  71          2HG1      VAL  71   1.530  -7.615   3.509
  504   3HG1  VAL  71          3HG1      VAL  71   0.488  -7.710   4.949
  505   1HG2  VAL  71          1HG2      VAL  71   1.147  -5.267   2.207
  506   2HG2  VAL  71          2HG2      VAL  71   0.193  -4.286   3.346
  507   3HG2  VAL  71          3HG2      VAL  71   1.531  -5.297   3.945
  508    H    VAL  72           H        VAL  72  -0.285  -6.130  -0.289
  509    HA   VAL  72           HA       VAL  72  -1.205  -3.368  -0.147
  510    HB   VAL  72           HB       VAL  72   0.663  -4.919  -1.921
  511   1HG1  VAL  72          1HG1      VAL  72  -1.004  -2.668  -2.705
  512   2HG1  VAL  72          2HG1      VAL  72   0.727  -2.265  -2.808
  513   3HG1  VAL  72          3HG1      VAL  72   0.087  -3.675  -3.686
  514   1HG2  VAL  72          1HG2      VAL  72   1.382  -3.870   0.289
  515   2HG2  VAL  72          2HG2      VAL  72   2.323  -3.412  -1.150
  516   3HG2  VAL  72          3HG2      VAL  72   1.111  -2.290  -0.486
  517    H    HIS  73           H        HIS  73  -1.597  -6.394  -1.920
  518    HA   HIS  73           HA       HIS  73  -3.981  -5.241  -3.323
  519   1HB   HIS  73          1HB       HIS  73  -2.221  -7.648  -4.051
  520   2HB   HIS  73          2HB       HIS  73  -3.634  -7.017  -5.001
  521    HD1  HIS  73           HD1      HIS  73  -0.044  -6.502  -4.339
  522    HD2  HIS  73           HD2      HIS  73  -3.118  -4.580  -6.419
  523    HE1  HIS  73           HE1      HIS  73   1.099  -4.792  -5.891
  524    H    ASP  74           H        ASP  74  -3.545  -6.529  -0.473
  525    HA   ASP  74           HA       ASP  74  -5.046  -8.920  -0.645
  526   1HB   ASP  74          1HB       ASP  74  -3.698  -7.304   1.420
  527   2HB   ASP  74          2HB       ASP  74  -5.215  -7.960   2.001
  528    H    ALA  75           H        ALA  75  -6.938  -7.964  -1.879
  529    HA   ALA  75           HA       ALA  75  -8.484  -5.878  -1.242
  530   1HB   ALA  75          1HB       ALA  75  -8.691  -8.159  -2.822
  531   2HB   ALA  75          2HB       ALA  75 -10.098  -8.282  -1.739
  532   3HB   ALA  75          3HB       ALA  75  -9.873  -6.831  -2.745
  533    H    LYS  76           H        LYS  76  -8.082  -8.873   0.623
  534    HA   LYS  76           HA       LYS  76  -9.906  -7.732   2.621
  535   1HB   LYS  76          1HB       LYS  76 -11.032  -9.602   1.589
  536   2HB   LYS  76          2HB       LYS  76  -9.625 -10.628   1.778
  537   1HG   LYS  76          1HG       LYS  76 -11.300 -11.085   3.550
  538   2HG   LYS  76          2HG       LYS  76  -9.804 -10.491   4.241
  539   1HD   LYS  76          1HD       LYS  76 -10.784  -8.581   5.035
  540   2HD   LYS  76          2HD       LYS  76 -11.676  -8.308   3.552
  541   1HE   LYS  76          1HE       LYS  76 -13.343  -8.736   5.221
  542   2HE   LYS  76          2HE       LYS  76 -13.252 -10.207   4.273
  543   1HZ   LYS  76          1HZ       LYS  76 -11.578  -9.926   6.641
  544   2HZ   LYS  76          2HZ       LYS  76 -13.150 -10.334   6.810
  545   3HZ   LYS  76          3HZ       LYS  76 -12.148 -11.287   5.941
  546    H    GLY  77           H        GLY  77  -8.590  -6.907   4.169
  547   1HA   GLY  77          2HA       GLY  77  -6.683  -6.674   5.411
  548   2HA   GLY  77          1HA       GLY  77  -6.016  -8.128   4.698
  549    H    GLY  78           H        GLY  78  -6.894  -6.893   7.592
  550   1HA   GLY  78          2HA       GLY  78  -7.025  -9.410   8.881
  551   2HA   GLY  78          1HA       GLY  78  -8.628  -8.708   8.787
  552    H    ALA  79           H        ALA  79  -5.437  -8.515  10.258
  553    HA   ALA  79           HA       ALA  79  -6.359  -7.123  12.476
  554   1HB   ALA  79          2HB       ALA  79  -3.574  -6.704  12.269
  555   2HB   ALA  79          3HB       ALA  79  -4.405  -8.012  13.143
  556   3HB   ALA  79          1HB       ALA  79  -3.886  -8.257  11.458
  557    H    LYS  80           H        LYS  80  -4.997  -6.034   9.361
  558    HA   LYS  80           HA       LYS  80  -5.835  -3.346  10.028
  559   1HB   LYS  80          1HB       LYS  80  -3.115  -4.113  10.307
  560   2HB   LYS  80          2HB       LYS  80  -3.217  -3.146   8.849
  561   1HG   LYS  80          1HG       LYS  80  -3.836  -1.229   9.987
  562   2HG   LYS  80          2HG       LYS  80  -4.779  -2.105  11.176
  563   1HD   LYS  80          1HD       LYS  80  -1.790  -2.493  11.209
  564   2HD   LYS  80          2HD       LYS  80  -2.414  -0.962  11.790
  565   1HE   LYS  80          1HE       LYS  80  -3.003  -1.920  13.759
  566   2HE   LYS  80          2HE       LYS  80  -4.058  -3.042  12.922
  567   1HZ   LYS  80          1HZ       LYS  80  -1.617  -4.036  12.436
  568   2HZ   LYS  80          2HZ       LYS  80  -1.443  -3.469  13.957
  569   3HZ   LYS  80          3HZ       LYS  80  -2.617  -4.552  13.619
  570    HA   PRO  81           HA       PRO  81  -7.232  -3.404   5.904
  571   1HB   PRO  81          1HB       PRO  81  -6.975  -0.711   5.297
  572   2HB   PRO  81          2HB       PRO  81  -8.240  -1.377   6.381
  573   1HG   PRO  81          1HG       PRO  81  -5.460  -0.180   7.231
  574   2HG   PRO  81          2HG       PRO  81  -7.087   0.278   7.832
  575   1HD   PRO  81          1HD       PRO  81  -5.629  -1.551   9.167
  576   2HD   PRO  81          2HD       PRO  81  -7.366  -1.871   8.877
  577    H    THR  82           H        THR  82  -6.475  -2.841   3.597
  578    HA   THR  82           HA       THR  82  -3.532  -2.914   3.557
  579    HB   THR  82           HB       THR  82  -4.031  -4.003   1.251
  580    HG1  THR  82           HG1      THR  82  -6.214  -4.284   0.862
  581   1HG2  THR  82          1HG2      THR  82  -4.572  -5.173   3.956
  582   2HG2  THR  82          2HG2      THR  82  -5.264  -6.067   2.581
  583   3HG2  THR  82          3HG2      THR  82  -3.510  -5.771   2.659
  584    H    CYS  83           H        CYS  83  -5.147  -2.418   0.546
  585    HA   CYS  83           HA       CYS  83  -4.858   0.463   0.774
  586   1HB   CYS  83          1HB       CYS  83  -3.481  -1.130  -1.398
  587   2HB   CYS  83          2HB       CYS  83  -3.542   0.617  -1.272
  588    H    ILE  84           H        ILE  84  -5.664  -2.439  -1.246
  589    HA   ILE  84           HA       ILE  84  -7.535  -0.920  -2.814
  590    HB   ILE  84           HB       ILE  84  -6.287  -3.574  -2.869
  591   1HG1  ILE  84          1HG1      ILE  84  -7.311  -1.700  -5.023
  592   2HG1  ILE  84          2HG1      ILE  84  -5.682  -1.722  -4.378
  593   1HG2  ILE  84          1HG2      ILE  84  -9.125  -3.235  -3.875
  594   2HG2  ILE  84          2HG2      ILE  84  -8.051  -4.608  -4.235
  595   3HG2  ILE  84          3HG2      ILE  84  -8.583  -4.309  -2.563
  596   1HD1  ILE  84          1HD1      ILE  84  -6.026  -4.385  -5.039
  597   2HD1  ILE  84          2HD1      ILE  84  -6.974  -3.568  -6.306
  598   3HD1  ILE  84          3HD1      ILE  84  -5.252  -3.173  -6.089
  599    H    SER  85           H        SER  85  -7.495  -2.610   0.218
  600    HA   SER  85           HA       SER  85 -10.172  -3.449   0.179
  601   1HB   SER  85          1HB       SER  85  -9.851  -3.745   2.634
  602   2HB   SER  85          2HB       SER  85  -8.549  -4.459   1.704
  603    HG   SER  85           HG       SER  85  -8.401  -2.544   3.633
  604    H    CYS  86           H        CYS  86  -8.733  -1.007   2.449
  605    HA   CYS  86           HA       CYS  86 -10.952   0.243   3.208
  606   1HB   CYS  86          1HB       CYS  86  -8.730   0.802   4.065
  607   2HB   CYS  86          2HB       CYS  86  -8.304   1.577   2.552
  608    H    HIS  87           H        HIS  87  -9.065   0.849   0.259
  609    HA   HIS  87           HA       HIS  87 -10.562   3.005  -0.813
  610   1HB   HIS  87          1HB       HIS  87  -8.700   0.868  -1.888
  611   2HB   HIS  87          2HB       HIS  87  -9.628   1.901  -3.058
  612    HD1  HIS  87           HD1      HIS  87  -7.985   3.423  -3.941
  613    HD2  HIS  87           HD2      HIS  87  -7.625   3.112   0.212
  614    HE1  HIS  87           HE1      HIS  87  -6.201   5.147  -3.243
  615    H    LYS  88           H        LYS  88 -10.819  -0.545  -1.710
  616    HA   LYS  88           HA       LYS  88 -13.026  -0.300  -3.311
  617   1HB   LYS  88          1HB       LYS  88 -11.773  -2.330  -3.256
  618   2HB   LYS  88          2HB       LYS  88 -12.068  -2.560  -1.544
  619   1HG   LYS  88          1HG       LYS  88 -14.638  -2.290  -2.785
  620   2HG   LYS  88          2HG       LYS  88 -13.710  -3.381  -3.795
  621   1HD   LYS  88          1HD       LYS  88 -13.273  -4.880  -1.942
  622   2HD   LYS  88          2HD       LYS  88 -13.847  -3.713  -0.768
  623   1HE   LYS  88          1HE       LYS  88 -15.681  -5.194  -0.985
  624   2HE   LYS  88          2HE       LYS  88 -16.137  -3.852  -2.015
  625   1HZ   LYS  88          1HZ       LYS  88 -14.595  -5.920  -3.285
  626   2HZ   LYS  88          2HZ       LYS  88 -16.103  -6.351  -2.827
  627   3HZ   LYS  88          3HZ       LYS  88 -15.886  -5.090  -3.843
  628    H    ASP  89           H        ASP  89 -12.835  -0.623   0.275
  629    HA   ASP  89           HA       ASP  89 -15.612  -0.787   0.583
  630   1HB   ASP  89          1HB       ASP  89 -13.564  -1.301   2.220
  631   2HB   ASP  89          2HB       ASP  89 -13.786   0.368   2.702
  632    H    LYS  90           H        LYS  90 -13.270   1.809   0.096
  633    HA   LYS  90           HA       LYS  90 -15.297   3.800   0.828
  634   1HB   LYS  90          1HB       LYS  90 -12.290   3.818   0.855
  635   2HB   LYS  90          2HB       LYS  90 -13.167   5.325   0.678
  636   1HG   LYS  90          1HG       LYS  90 -14.470   3.865   2.774
  637   2HG   LYS  90          2HG       LYS  90 -12.749   3.738   3.075
  638   1HD   LYS  90          1HD       LYS  90 -13.587   6.464   2.269
  639   2HD   LYS  90          2HD       LYS  90 -14.357   5.919   3.745
  640   1HE   LYS  90          1HE       LYS  90 -12.251   5.564   4.850
  641   2HE   LYS  90          2HE       LYS  90 -11.355   5.619   3.345
  642   1HZ   LYS  90          1HZ       LYS  90 -12.097   7.956   3.153
  643   2HZ   LYS  90          2HZ       LYS  90 -12.711   7.863   4.664
  644   3HZ   LYS  90          3HZ       LYS  90 -11.106   7.678   4.422
  645    H    ALA  91           H        ALA  91 -16.060   2.655  -1.418
  646    HA   ALA  91           HA       ALA  91 -16.183   4.613  -3.283
  647   1HB   ALA  91          1HB       ALA  91 -13.568   3.397  -3.303
  648   2HB   ALA  91          3HB       ALA  91 -14.203   4.698  -4.339
  649   3HB   ALA  91          2HB       ALA  91 -14.410   2.997  -4.820
  650    H    GLY  92           H        GLY  92 -15.628   1.071  -2.851
  651   1HA   GLY  92          2HA       GLY  92 -17.103  -0.621  -3.240
  652   2HA   GLY  92          1HA       GLY  92 -16.866  -0.094  -4.894
  653    H    ASP  93           H        ASP  93 -18.488   1.119  -5.985
  654    HA   ASP  93           HA       ASP  93 -21.071   0.692  -4.975
  655   1HB   ASP  93          1HB       ASP  93 -21.769   2.821  -4.369
  656   2HB   ASP  93          2HB       ASP  93 -20.098   2.910  -3.849
  657    H    ASP  94           H        ASP  94 -18.937   2.705  -7.112
  658    HA   ASP  94           HA       ASP  94 -20.532   1.806  -9.354
  659   1HB   ASP  94          1HB       ASP  94 -20.346   4.555  -8.351
  660   2HB   ASP  94          2HB       ASP  94 -19.725   4.457  -9.986
  661    H    LYS  95           H        LYS  95 -19.240   1.643 -11.325
  662    HA   LYS  95           HA       LYS  95 -16.562   1.079 -10.975
  663   1HB   LYS  95          1HB       LYS  95 -16.465   0.971 -13.412
  664   2HB   LYS  95          2HB       LYS  95 -17.912   0.194 -12.802
  665   1HG   LYS  95          1HG       LYS  95 -18.800   2.798 -13.160
  666   2HG   LYS  95          2HG       LYS  95 -17.640   2.645 -14.466
  667   1HD   LYS  95          1HD       LYS  95 -19.143   0.204 -14.422
  668   2HD   LYS  95          2HD       LYS  95 -20.305   1.505 -14.261
  669   1HE   LYS  95          1HE       LYS  95 -18.117   1.589 -16.378
  670   2HE   LYS  95          2HE       LYS  95 -19.639   0.771 -16.670
  671   1HZ   LYS  95          1HZ       LYS  95 -20.323   3.188 -15.628
  672   2HZ   LYS  95          2HZ       LYS  95 -19.097   3.532 -16.650
  673   3HZ   LYS  95          3HZ       LYS  95 -20.420   2.747 -17.197
  674    H    GLU  96           H        GLU  96 -18.231   4.147 -11.595
  675    HA   GLU  96           HA       GLU  96 -16.083   5.565 -12.579
  676   1HB   GLU  96          1HB       GLU  96 -18.623   6.284 -11.119
  677   2HB   GLU  96          2HB       GLU  96 -17.421   7.534 -11.366
  678   1HG   GLU  96          1HG       GLU  96 -18.555   5.790 -13.604
  679   2HG   GLU  96          2HG       GLU  96 -19.154   7.389 -13.210
  680    H    LEU  97           H        LEU  97 -17.169   4.937  -9.192
  681    HA   LEU  97           HA       LEU  97 -14.883   6.414  -8.186
  682   1HB   LEU  97          1HB       LEU  97 -17.492   5.948  -7.298
  683   2HB   LEU  97          2HB       LEU  97 -16.481   5.011  -6.216
  684    HG   LEU  97           HG       LEU  97 -15.911   7.919  -6.799
  685   1HD1  LEU  97          1HD1      LEU  97 -18.234   6.932  -5.521
  686   2HD1  LEU  97          2HD1      LEU  97 -17.171   7.575  -4.246
  687   3HD1  LEU  97          3HD1      LEU  97 -17.650   8.611  -5.612
  688   1HD2  LEU  97          1HD2      LEU  97 -14.213   6.306  -5.713
  689   2HD2  LEU  97          2HD2      LEU  97 -14.517   7.878  -4.935
  690   3HD2  LEU  97          3HD2      LEU  97 -15.265   6.401  -4.280
  691    H    LYS  98           H        LYS  98 -15.457   3.372  -9.464
  692    HA   LYS  98           HA       LYS  98 -13.754   1.992  -7.550
  693   1HB   LYS  98          1HB       LYS  98 -15.966   1.121  -8.725
  694   2HB   LYS  98          2HB       LYS  98 -14.861   0.704 -10.019
  695   1HG   LYS  98          1HG       LYS  98 -15.134  -1.181  -8.420
  696   2HG   LYS  98          2HG       LYS  98 -13.473  -0.624  -8.470
  697   1HD   LYS  98          1HD       LYS  98 -13.519   0.142  -6.303
  698   2HD   LYS  98          2HD       LYS  98 -15.144   0.780  -6.453
  699   1HE   LYS  98          1HE       LYS  98 -15.029  -1.131  -4.841
  700   2HE   LYS  98          2HE       LYS  98 -16.117  -1.459  -6.175
  701   1HZ   LYS  98          1HZ       LYS  98 -14.118  -2.539  -7.241
  702   2HZ   LYS  98          2HZ       LYS  98 -13.416  -2.500  -5.768
  703   3HZ   LYS  98          3HZ       LYS  98 -14.803  -3.333  -5.989
  704    H    LYS  99           H        LYS  99 -13.736   3.500 -10.754
  705    HA   LYS  99           HA       LYS  99 -11.437   2.234 -11.734
  706   1HB   LYS  99          1HB       LYS  99 -12.897   4.788 -12.375
  707   2HB   LYS  99          2HB       LYS  99 -11.365   4.427 -13.145
  708   1HG   LYS  99          1HG       LYS  99 -12.230   2.663 -14.371
  709   2HG   LYS  99          2HG       LYS  99 -13.339   2.179 -13.104
  710   1HD   LYS  99          1HD       LYS  99 -14.687   3.048 -14.909
  711   2HD   LYS  99          2HD       LYS  99 -14.736   4.240 -13.626
  712   1HE   LYS  99          1HE       LYS  99 -14.185   5.702 -15.313
  713   2HE   LYS  99          2HE       LYS  99 -12.552   5.156 -14.987
  714   1HZ   LYS  99          1HZ       LYS  99 -14.206   3.653 -16.853
  715   2HZ   LYS  99          2HZ       LYS  99 -13.485   5.030 -17.353
  716   3HZ   LYS  99          3HZ       LYS  99 -12.579   3.790 -16.799
  717    H    LYS 100           H        LYS 100 -11.919   5.353  -9.951
  718    HA   LYS 100           HA       LYS 100  -9.031   5.541  -9.650
  719   1HB   LYS 100          1HB       LYS 100 -10.803   7.444 -10.269
  720   2HB   LYS 100          2HB       LYS 100 -10.907   7.576  -8.526
  721   1HG   LYS 100          1HG       LYS 100  -8.575   8.084  -8.302
  722   2HG   LYS 100          2HG       LYS 100  -8.203   7.502  -9.912
  723   1HD   LYS 100          1HD       LYS 100  -9.228   9.398 -10.966
  724   2HD   LYS 100          2HD       LYS 100 -10.090   9.852  -9.509
  725   1HE   LYS 100          1HE       LYS 100  -8.318  11.044  -8.701
  726   2HE   LYS 100          2HE       LYS 100  -7.181   9.759  -9.057
  727   1HZ   LYS 100          1HZ       LYS 100  -7.410  10.495 -11.432
  728   2HZ   LYS 100          2HZ       LYS 100  -8.151  11.838 -10.873
  729   3HZ   LYS 100          3HZ       LYS 100  -6.610  11.514 -10.438
  730    H    LEU 101           H        LEU 101  -8.640   3.770  -8.232
  731    HA   LEU 101           HA       LEU 101  -8.364   4.208  -5.653
  732   1HB   LEU 101          1HB       LEU 101 -11.229   3.862  -6.193
  733   2HB   LEU 101          2HB       LEU 101 -10.615   2.823  -4.923
  734    HG   LEU 101           HG       LEU 101 -10.509   4.498  -3.455
  735   1HD1  LEU 101          1HD1      LEU 101  -9.094   5.994  -5.647
  736   2HD1  LEU 101          2HD1      LEU 101  -9.576   6.815  -4.143
  737   3HD1  LEU 101          3HD1      LEU 101  -8.474   5.419  -4.080
  738   1HD2  LEU 101          1HD2      LEU 101 -12.505   5.106  -5.306
  739   2HD2  LEU 101          2HD2      LEU 101 -12.350   5.729  -3.646
  740   3HD2  LEU 101          3HD2      LEU 101 -11.676   6.653  -5.011
  741    H    THR 102           H        THR 102  -9.581   1.938  -8.113
  742    HA   THR 102           HA       THR 102  -7.626   0.001  -7.171
  743    HB   THR 102           HB       THR 102  -9.241  -1.758  -6.871
  744    HG1  THR 102           HG1      THR 102 -10.599  -1.309  -8.678
  745   1HG2  THR 102          1HG2      THR 102  -9.366  -0.034  -5.000
  746   2HG2  THR 102          2HG2      THR 102 -10.691   0.755  -5.890
  747   3HG2  THR 102          3HG2      THR 102 -10.897  -0.901  -5.271
  748    H    GLY 103           H        GLY 103 -10.253   0.714  -9.560
  749   1HA   GLY 103          2HA       GLY 103 -10.002   0.874 -11.831
  750   2HA   GLY 103          1HA       GLY 103  -9.772  -0.850 -11.619
  751    H    CYS 104           H        CYS 104  -7.690  -1.790 -11.825
  752    HA   CYS 104           HA       CYS 104  -5.280  -0.782 -11.652
  753   1HB   CYS 104          1HB       CYS 104  -6.039  -2.357 -14.111
  754   2HB   CYS 104          2HB       CYS 104  -4.496  -2.330 -13.281
  755    H    LYS 105           H        LYS 105  -6.856  -0.798 -14.933
  756    HA   LYS 105           HA       LYS 105  -5.237   1.426 -15.733
  757   1HB   LYS 105          1HB       LYS 105  -5.628  -0.302 -17.337
  758   2HB   LYS 105          2HB       LYS 105  -7.363  -0.230 -17.108
  759   1HG   LYS 105          1HG       LYS 105  -7.076   2.313 -17.832
  760   2HG   LYS 105          2HG       LYS 105  -5.557   1.758 -18.508
  761   1HD   LYS 105          1HD       LYS 105  -7.768  -0.061 -19.190
  762   2HD   LYS 105          2HD       LYS 105  -8.100   1.577 -19.717
  763   1HE   LYS 105          1HE       LYS 105  -6.833   0.112 -21.397
  764   2HE   LYS 105          2HE       LYS 105  -6.110   1.673 -21.062
  765   1HZ   LYS 105          1HZ       LYS 105  -5.317  -0.631 -19.468
  766   2HZ   LYS 105          2HZ       LYS 105  -4.686  -0.436 -20.962
  767   3HZ   LYS 105          3HZ       LYS 105  -4.465   0.716 -19.826
  768    H    GLY 106           H        GLY 106  -5.770   3.220 -14.465
  769   1HA   GLY 106          2HA       GLY 106  -8.536   4.205 -14.841
  770   2HA   GLY 106          1HA       GLY 106  -7.110   5.223 -14.847
  771    H    SER 107           H        SER 107  -5.737   3.728 -12.650
  772    HA   SER 107           HA       SER 107  -7.409   4.744 -10.491
  773   1HB   SER 107          1HB       SER 107  -6.372   2.873  -9.067
  774   2HB   SER 107          2HB       SER 107  -7.582   2.384 -10.236
  775    HG   SER 107           HG       SER 107  -5.871   0.950 -10.485
  776    H    ALA 108           H        ALA 108  -6.221   5.692  -8.690
  777    HA   ALA 108           HA       ALA 108  -4.160   7.294  -9.266
  778   1HB   ALA 108          2HB       ALA 108  -3.867   6.182  -6.575
  779   2HB   ALA 108          1HB       ALA 108  -5.570   6.501  -6.984
  780   3HB   ALA 108          3HB       ALA 108  -4.370   7.812  -7.082
  781    H    CYS 109           H        CYS 109  -4.031   3.795  -8.691
  782    HA   CYS 109           HA       CYS 109  -1.115   3.944  -8.867
  783   1HB   CYS 109          1HB       CYS 109  -2.635   1.474  -8.041
  784   2HB   CYS 109          2HB       CYS 109  -0.966   1.901  -7.718
  785    H    HIS 110           H        HIS 110  -0.115   2.972 -10.552
  786    HA   HIS 110           HA       HIS 110   0.224   2.102 -12.643
  787   1HB   HIS 110          1HB       HIS 110  -2.239   0.357 -12.265
  788   2HB   HIS 110          2HB       HIS 110  -0.650  -0.022 -13.059
  789    HD1  HIS 110           HD1      HIS 110   1.022   0.947 -10.537
  790    HD2  HIS 110           HD2      HIS 110  -2.098  -1.835 -10.529
  791    HE1  HIS 110           HE1      HIS 110   1.393  -0.543  -8.467
  792    HA   PRO 111           HA       PRO 111  -3.187   4.761 -14.337
  793   1HB   PRO 111          1HB       PRO 111  -1.725   7.034 -14.767
  794   2HB   PRO 111          2HB       PRO 111  -2.424   6.632 -13.164
  795   1HG   PRO 111          1HG       PRO 111   0.312   6.181 -14.303
  796   2HG   PRO 111          2HG       PRO 111  -0.028   6.860 -12.677
  797   1HD   PRO 111          1HD       PRO 111   0.657   4.214 -13.101
  798   2HD   PRO 111          2HD       PRO 111  -0.459   4.713 -11.794
  799    H    SER 112           H        SER 112  -3.546   4.897 -16.601
  800    HA   SER 112           HA       SER 112  -3.197   4.319 -18.677
  801   1HB   SER 112          1HB       SER 112  -0.870   5.403 -19.560
  802   2HB   SER 112          2HB       SER 112  -2.314   6.350 -19.260
  803    HG   SER 112           HG       SER 112  -0.023   6.005 -17.537

  No H/Q in entry =         803
  Start of MODEL    7
    1    H1   VAL   1           H1       VAL   1  11.438  14.696  12.021
    2    H2   VAL   1           H2       VAL   1  12.058  13.499  12.983
    3    H3   VAL   1           H3       VAL   1  12.076  13.330  11.336
    4    HA   VAL   1           HA       VAL   1  10.149  12.438  11.286
    5    HB   VAL   1           HB       VAL   1  10.381  12.748  14.283
    6   1HG1  VAL   1          1HG1      VAL   1   8.275  11.491  12.583
    7   2HG1  VAL   1          2HG1      VAL   1   8.792  10.606  14.038
    8   3HG1  VAL   1          3HG1      VAL   1   8.152  12.261  14.183
    9   1HG2  VAL   1          1HG2      VAL   1  12.037  11.346  12.723
   10   2HG2  VAL   1          2HG2      VAL   1  11.530  10.772  14.330
   11   3HG2  VAL   1          3HG2      VAL   1  10.733  10.142  12.868
   12    H    ASP   2           H        ASP   2   8.979  13.965  10.106
   13    HA   ASP   2           HA       ASP   2   7.380  15.738  11.779
   14   1HB   ASP   2          1HB       ASP   2   9.182  16.401   9.660
   15   2HB   ASP   2          2HB       ASP   2   7.572  16.633   9.010
   16    H    VAL   3           H        VAL   3   7.645  14.300   8.432
   17    HA   VAL   3           HA       VAL   3   5.559  12.647   8.406
   18    HB   VAL   3           HB       VAL   3   4.607  15.402   8.596
   19   1HG1  VAL   3          1HG1      VAL   3   3.815  13.708   6.236
   20   2HG1  VAL   3          2HG1      VAL   3   2.635  14.806   6.991
   21   3HG1  VAL   3          3HG1      VAL   3   4.150  15.454   6.317
   22   1HG2  VAL   3          1HG2      VAL   3   4.005  12.903   9.676
   23   2HG2  VAL   3          2HG2      VAL   3   3.095  14.413   9.918
   24   3HG2  VAL   3          3HG2      VAL   3   2.609  13.276   8.637
   25    HA   PRO   4           HA       PRO   4   8.257  12.430   4.800
   26   1HB   PRO   4          1HB       PRO   4   6.097  10.298   4.439
   27   2HB   PRO   4          2HB       PRO   4   7.847  10.250   4.051
   28   1HG   PRO   4          1HG       PRO   4   6.768   9.351   6.134
   29   2HG   PRO   4          2HG       PRO   4   8.422   9.837   6.632
   30   1HD   PRO   4          1HD       PRO   4   5.869  10.949   7.482
   31   2HD   PRO   4          2HD       PRO   4   7.506  11.527   7.916
   32    H    ALA   5           H        ALA   5   7.926  14.048   3.267
   33    HA   ALA   5           HA       ALA   5   5.448  15.081   2.623
   34   1HB   ALA   5          3HB       ALA   5   6.616  16.243   0.876
   35   2HB   ALA   5          2HB       ALA   5   7.883  14.995   0.806
   36   3HB   ALA   5          1HB       ALA   5   7.761  16.060   2.227
   37    H    ASP   6           H        ASP   6   5.163  15.089  -0.157
   38    HA   ASP   6           HA       ASP   6   4.308  12.341  -0.534
   39   1HB   ASP   6          1HB       ASP   6   3.482  14.476  -2.460
   40   2HB   ASP   6          2HB       ASP   6   2.535  13.167  -1.783
   41    H    GLY   7           H        GLY   7   4.331  11.696  -3.038
   42   1HA   GLY   7          2HA       GLY   7   6.506  12.931  -4.537
   43   2HA   GLY   7          1HA       GLY   7   5.361  11.731  -5.103
   44    H    ALA   8           H        ALA   8   5.872  10.175  -2.435
   45    HA   ALA   8           HA       ALA   8   8.607   9.316  -2.808
   46   1HB   ALA   8          2HB       ALA   8   6.427   8.334  -0.922
   47   2HB   ALA   8          1HB       ALA   8   7.597   9.623  -0.552
   48   3HB   ALA   8          3HB       ALA   8   8.164   7.958  -0.820
   49    H    LYS   9           H        LYS   9   8.520   8.452  -4.967
   50    HA   LYS   9           HA       LYS   9   6.615   6.610  -5.809
   51   1HB   LYS   9          1HB       LYS   9   7.910   6.396  -7.708
   52   2HB   LYS   9          2HB       LYS   9   8.400   7.972  -7.119
   53   1HG   LYS   9          1HG       LYS   9   9.892   5.376  -6.508
   54   2HG   LYS   9          2HG       LYS   9  10.334   6.483  -7.792
   55   1HD   LYS   9          1HD       LYS   9  10.382   8.310  -5.896
   56   2HD   LYS   9          2HD       LYS   9  10.432   6.949  -4.793
   57   1HE   LYS   9          1HE       LYS   9  12.417   6.076  -6.257
   58   2HE   LYS   9          2HE       LYS   9  12.461   7.691  -6.936
   59   1HZ   LYS   9          1HZ       LYS   9  12.464   7.320  -4.041
   60   2HZ   LYS   9          2HZ       LYS   9  13.853   7.189  -4.890
   61   3HZ   LYS   9          3HZ       LYS   9  13.013   8.590  -4.909
   62    H    ILE  10           H        ILE  10   6.189   4.561  -5.200
   63    HA   ILE  10           HA       ILE  10   8.227   3.221  -3.591
   64    HB   ILE  10           HB       ILE  10   5.273   2.684  -3.917
   65   1HG1  ILE  10          1HG1      ILE  10   6.813   3.961  -1.638
   66   2HG1  ILE  10          2HG1      ILE  10   5.753   4.796  -2.755
   67   1HG2  ILE  10          1HG2      ILE  10   7.380   1.354  -2.201
   68   2HG2  ILE  10          2HG2      ILE  10   5.630   1.204  -1.913
   69   3HG2  ILE  10          3HG2      ILE  10   6.335   0.610  -3.436
   70   1HD1  ILE  10          1HD1      ILE  10   3.999   2.925  -1.964
   71   2HD1  ILE  10          2HD1      ILE  10   5.056   2.891  -0.533
   72   3HD1  ILE  10          3HD1      ILE  10   4.261   4.408  -1.016
   73    H    ASP  11           H        ASP  11   9.443   1.629  -4.456
   74    HA   ASP  11           HA       ASP  11   8.276  -0.090  -6.402
   75   1HB   ASP  11          1HB       ASP  11   9.021   1.673  -7.908
   76   2HB   ASP  11          2HB       ASP  11  10.570   1.794  -7.097
   77    H    PHE  12           H        PHE  12   8.805  -1.596  -4.613
   78    HA   PHE  12           HA       PHE  12  11.642  -1.880  -4.020
   79   1HB   PHE  12          1HB       PHE  12   8.986  -2.944  -2.917
   80   2HB   PHE  12          2HB       PHE  12  10.509  -3.623  -2.378
   81    HD1  PHE  12           HD1      PHE  12  12.231  -1.974  -1.377
   82    HD2  PHE  12           HD2      PHE  12   8.119  -1.051  -1.870
   83    HE1  PHE  12           HE1      PHE  12  12.433  -0.158   0.343
   84    HE2  PHE  12           HE2      PHE  12   8.321   0.766  -0.149
   85    HZ   PHE  12           HZ       PHE  12  10.475   1.191   0.937
   86    H    ILE  13           H        ILE  13   9.076  -3.274  -5.943
   87    HA   ILE  13           HA       ILE  13  10.557  -5.778  -6.200
   88    HB   ILE  13           HB       ILE  13   7.817  -5.026  -7.220
   89   1HG1  ILE  13          1HG1      ILE  13   8.652  -6.482  -4.698
   90   2HG1  ILE  13          2HG1      ILE  13   7.812  -4.948  -4.803
   91   1HG2  ILE  13          1HG2      ILE  13   9.340  -7.637  -7.147
   92   2HG2  ILE  13          2HG2      ILE  13   7.578  -7.534  -7.382
   93   3HG2  ILE  13          3HG2      ILE  13   8.679  -6.782  -8.561
   94   1HD1  ILE  13          1HD1      ILE  13   5.982  -6.239  -6.135
   95   2HD1  ILE  13          2HD1      ILE  13   6.773  -7.711  -5.521
   96   3HD1  ILE  13          3HD1      ILE  13   6.087  -6.528  -4.382
   97    H    ALA  14           H        ALA  14  11.025  -6.622  -8.377
   98    HA   ALA  14           HA       ALA  14  11.890  -4.444 -10.086
   99   1HB   ALA  14          2HB       ALA  14  12.360  -7.357 -10.670
  100   2HB   ALA  14          3HB       ALA  14  13.431  -5.958 -10.929
  101   3HB   ALA  14          1HB       ALA  14  13.199  -6.610  -9.289
  102    H    GLY  15           H        GLY  15   9.319  -4.142 -10.275
  103   1HA   GLY  15          2HA       GLY  15   7.739  -3.976 -11.900
  104   2HA   GLY  15          1HA       GLY  15   7.595  -5.696 -11.595
  105    H    GLY  16           H        GLY  16   7.193  -6.480 -13.664
  106   1HA   GLY  16          2HA       GLY  16   7.724  -7.237 -15.717
  107   2HA   GLY  16          1HA       GLY  16   9.393  -6.795 -15.415
  108    H    GLU  17           H        GLU  17   6.198  -5.550 -16.497
  109    HA   GLU  17           HA       GLU  17   7.009  -4.248 -18.647
  110   1HB   GLU  17          1HB       GLU  17   4.682  -4.327 -18.270
  111   2HB   GLU  17          2HB       GLU  17   4.810  -3.633 -16.666
  112   1HG   GLU  17          1HG       GLU  17   4.744  -1.485 -17.454
  113   2HG   GLU  17          2HG       GLU  17   5.850  -1.831 -18.769
  114    H    LYS  18           H        LYS  18   8.965  -3.126 -18.668
  115    HA   LYS  18           HA       LYS  18  10.492  -1.599 -18.146
  116   1HB   LYS  18          1HB       LYS  18   8.390  -0.379 -19.223
  117   2HB   LYS  18          2HB       LYS  18   8.329   0.415 -17.662
  118   1HG   LYS  18          1HG       LYS  18   9.759   1.833 -18.885
  119   2HG   LYS  18          2HG       LYS  18  10.896   0.835 -18.002
  120   1HD   LYS  18          1HD       LYS  18  11.835   0.429 -20.044
  121   2HD   LYS  18          2HD       LYS  18  10.515  -0.701 -20.265
  122   1HE   LYS  18          1HE       LYS  18  10.490   2.233 -21.121
  123   2HE   LYS  18          2HE       LYS  18  10.712   0.866 -22.194
  124   1HZ   LYS  18          1HZ       LYS  18   8.526   0.078 -21.494
  125   2HZ   LYS  18          2HZ       LYS  18   8.321   1.416 -20.579
  126   3HZ   LYS  18          3HZ       LYS  18   8.447   1.548 -22.202
  127    H    ASN  19           H        ASN  19   9.708   0.815 -16.316
  128    HA   ASN  19           HA       ASN  19  10.477  -0.592 -13.915
  129   1HB   ASN  19          1HB       ASN  19  11.216   1.566 -13.093
  130   2HB   ASN  19          2HB       ASN  19  11.717   1.488 -14.771
  131   2HD2  ASN  19          1HD2      ASN  19  10.894   3.661 -12.784
  132   1HD2  ASN  19          2HD2      ASN  19   9.786   4.667 -13.655
  133    H    LEU  20           H        LEU  20   9.023  -0.821 -12.183
  134    HA   LEU  20           HA       LEU  20   6.426   0.489 -12.508
  135   1HB   LEU  20          1HB       LEU  20   7.305  -1.991 -11.035
  136   2HB   LEU  20          2HB       LEU  20   5.729  -1.259 -10.809
  137    HG   LEU  20           HG       LEU  20   6.845  -2.629 -13.245
  138   1HD1  LEU  20          1HD1      LEU  20   5.201  -3.457 -11.174
  139   2HD1  LEU  20          2HD1      LEU  20   4.068  -3.115 -12.503
  140   3HD1  LEU  20          3HD1      LEU  20   5.410  -4.258 -12.750
  141   1HD2  LEU  20          1HD2      LEU  20   4.772  -0.473 -13.165
  142   2HD2  LEU  20          2HD2      LEU  20   6.010  -0.831 -14.394
  143   3HD2  LEU  20          3HD2      LEU  20   4.552  -1.845 -14.278
  144    H    THR  21           H        THR  21   5.901   2.176 -11.228
  145    HA   THR  21           HA       THR  21   7.055   2.303  -8.557
  146    HB   THR  21           HB       THR  21   7.202   4.819 -10.201
  147    HG1  THR  21           HG1      THR  21   9.123   2.604 -10.260
  148   1HG2  THR  21          1HG2      THR  21   8.029   4.402  -7.722
  149   2HG2  THR  21          2HG2      THR  21   9.378   3.543  -8.503
  150   3HG2  THR  21          3HG2      THR  21   9.104   5.269  -8.845
  151    H    VAL  22           H        VAL  22   5.659   3.074  -7.058
  152    HA   VAL  22           HA       VAL  22   3.170   4.208  -8.137
  153    HB   VAL  22           HB       VAL  22   3.729   2.229  -5.955
  154   1HG1  VAL  22          1HG1      VAL  22   1.740   4.397  -5.873
  155   2HG1  VAL  22          2HG1      VAL  22   1.051   2.772  -5.646
  156   3HG1  VAL  22          3HG1      VAL  22   2.350   3.346  -4.573
  157   1HG2  VAL  22          1HG2      VAL  22   1.765   2.389  -8.261
  158   2HG2  VAL  22          2HG2      VAL  22   3.144   1.278  -8.075
  159   3HG2  VAL  22          3HG2      VAL  22   1.725   1.123  -7.011
  160    H    VAL  23           H        VAL  23   2.612   6.223  -7.444
  161    HA   VAL  23           HA       VAL  23   4.437   7.507  -5.604
  162    HB   VAL  23           HB       VAL  23   2.218   8.412  -7.426
  163   1HG1  VAL  23          1HG1      VAL  23   3.545   9.923  -5.184
  164   2HG1  VAL  23          2HG1      VAL  23   3.021  10.774  -6.656
  165   3HG1  VAL  23          3HG1      VAL  23   1.833   9.888  -5.670
  166   1HG2  VAL  23          1HG2      VAL  23   4.743   7.894  -8.066
  167   2HG2  VAL  23          2HG2      VAL  23   3.868   9.275  -8.770
  168   3HG2  VAL  23          3HG2      VAL  23   4.995   9.533  -7.417
  169    H    PHE  24           H        PHE  24   3.995   8.059  -3.501
  170    HA   PHE  24           HA       PHE  24   1.261   7.494  -2.591
  171   1HB   PHE  24          1HB       PHE  24   2.872   5.750  -1.848
  172   2HB   PHE  24          2HB       PHE  24   4.026   6.972  -1.352
  173    HD1  PHE  24           HD1      PHE  24   0.391   6.395  -0.674
  174    HD2  PHE  24           HD2      PHE  24   4.266   7.041   0.930
  175    HE1  PHE  24           HE1      PHE  24  -0.563   6.354   1.647
  176    HE2  PHE  24           HE2      PHE  24   3.312   7.000   3.251
  177    HZ   PHE  24           HZ       PHE  24   0.909   6.657   3.582
  178    H    ASN  25           H        ASN  25   0.346   8.956  -1.120
  179    HA   ASN  25           HA       ASN  25   2.065  11.214  -0.456
  180   1HB   ASN  25          1HB       ASN  25  -0.879  11.713  -0.731
  181   2HB   ASN  25          2HB       ASN  25   0.464  12.747  -1.176
  182   2HD2  ASN  25          1HD2      ASN  25   0.094  13.227  -3.224
  183   1HD2  ASN  25          2HD2      ASN  25  -0.106  12.103  -4.526
  184    H    HIS  26           H        HIS  26   2.083  11.616   1.684
  185    HA   HIS  26           HA       HIS  26   0.534   9.986   3.533
  186   1HB   HIS  26          1HB       HIS  26   2.785  11.971   3.613
  187   2HB   HIS  26          2HB       HIS  26   1.775  11.835   5.116
  188    HD1  HIS  26           HD1      HIS  26   4.302  10.070   3.068
  189    HD2  HIS  26           HD2      HIS  26   2.017   9.352   6.494
  190    HE1  HIS  26           HE1      HIS  26   5.341   8.003   4.205
  191    H    SER  27           H        SER  27   0.369  13.358   2.277
  192    HA   SER  27           HA       SER  27  -1.388  14.322   4.178
  193   1HB   SER  27          1HB       SER  27  -2.025  15.963   2.299
  194   2HB   SER  27          2HB       SER  27  -0.335  15.910   2.759
  195    HG   SER  27           HG       SER  27   0.198  15.195   0.807
  196    H    THR  28           H        THR  28  -1.812  12.134   1.447
  197    HA   THR  28           HA       THR  28  -4.704  12.479   1.454
  198    HB   THR  28           HB       THR  28  -4.567  11.000  -0.521
  199    HG1  THR  28           HG1      THR  28  -2.571   9.915  -0.877
  200   1HG2  THR  28          1HG2      THR  28  -2.315  13.066  -0.382
  201   2HG2  THR  28          2HG2      THR  28  -2.727  12.182  -1.870
  202   3HG2  THR  28          3HG2      THR  28  -3.919  13.272  -1.123
  203    H    HIS  29           H        HIS  29  -2.838  11.290   3.618
  204    HA   HIS  29           HA       HIS  29  -4.736   9.171   4.389
  205   1HB   HIS  29          1HB       HIS  29  -1.742   8.624   3.991
  206   2HB   HIS  29          2HB       HIS  29  -2.933   7.500   4.774
  207    HD1  HIS  29           HD1      HIS  29  -1.465   8.411   1.594
  208    HD2  HIS  29           HD2      HIS  29  -4.961   6.509   2.870
  209    HE1  HIS  29           HE1      HIS  29  -2.386   7.151  -0.456
  210    H    LYS  30           H        LYS  30  -4.191  11.866   5.348
  211    HA   LYS  30           HA       LYS  30  -2.663  11.443   7.781
  212   1HB   LYS  30          1HB       LYS  30  -2.402  13.692   7.859
  213   2HB   LYS  30          2HB       LYS  30  -2.724  13.551   6.142
  214   1HG   LYS  30          1HG       LYS  30  -5.274  13.775   6.915
  215   2HG   LYS  30          2HG       LYS  30  -4.566  14.498   8.346
  216   1HD   LYS  30          1HD       LYS  30  -3.225  16.024   6.737
  217   2HD   LYS  30          2HD       LYS  30  -4.272  15.434   5.461
  218   1HE   LYS  30          1HE       LYS  30  -6.015  16.740   6.141
  219   2HE   LYS  30          2HE       LYS  30  -5.826  16.264   7.817
  220   1HZ   LYS  30          1HZ       LYS  30  -3.831  17.800   7.773
  221   2HZ   LYS  30          2HZ       LYS  30  -4.450  18.411   6.391
  222   3HZ   LYS  30          3HZ       LYS  30  -5.309  18.494   7.778
  223    H    ASP  31           H        ASP  31  -5.988  11.647   6.574
  224    HA   ASP  31           HA       ASP  31  -7.076  12.022   9.167
  225   1HB   ASP  31          1HB       ASP  31  -9.165  12.051   8.086
  226   2HB   ASP  31          2HB       ASP  31  -8.089  12.629   6.830
  227    H    VAL  32           H        VAL  32  -5.419   9.495   7.833
  228    HA   VAL  32           HA       VAL  32  -7.230   7.421   8.829
  229    HB   VAL  32           HB       VAL  32  -4.896   7.448   6.929
  230   1HG1  VAL  32          1HG1      VAL  32  -4.623   5.539   8.503
  231   2HG1  VAL  32          2HG1      VAL  32  -6.243   4.964   8.040
  232   3HG1  VAL  32          3HG1      VAL  32  -4.940   5.027   6.828
  233   1HG2  VAL  32          1HG2      VAL  32  -7.251   7.966   6.156
  234   2HG2  VAL  32          2HG2      VAL  32  -6.453   6.607   5.329
  235   3HG2  VAL  32          3HG2      VAL  32  -7.676   6.291   6.584
  236    H    LYS  33           H        LYS  33  -6.589   5.989  10.476
  237    HA   LYS  33           HA       LYS  33  -5.196   6.925  12.561
  238   1HB   LYS  33          1HB       LYS  33  -5.208   4.010  11.732
  239   2HB   LYS  33          2HB       LYS  33  -5.039   4.648  13.355
  240   1HG   LYS  33          1HG       LYS  33  -7.494   4.578  11.591
  241   2HG   LYS  33          2HG       LYS  33  -7.329   4.085  13.264
  242   1HD   LYS  33          1HD       LYS  33  -6.817   6.644  13.707
  243   2HD   LYS  33          2HD       LYS  33  -7.561   6.893  12.140
  244   1HE   LYS  33          1HE       LYS  33  -9.031   5.137  14.098
  245   2HE   LYS  33          2HE       LYS  33  -9.001   6.858  14.430
  246   1HZ   LYS  33          1HZ       LYS  33  -9.839   5.685  11.868
  247   2HZ   LYS  33          2HZ       LYS  33 -10.861   6.184  13.040
  248   3HZ   LYS  33          3HZ       LYS  33  -9.908   7.266  12.273
  249    H    CYS  34           H        CYS  34  -3.083   7.121  13.264
  250    HA   CYS  34           HA       CYS  34  -1.113   6.918  11.177
  251   1HB   CYS  34          1HB       CYS  34  -1.245   8.905  12.627
  252   2HB   CYS  34          2HB       CYS  34  -0.873   7.915  14.024
  253    H    ASP  35           H        ASP  35  -2.515   4.550  12.680
  254    HA   ASP  35           HA       ASP  35  -0.017   3.179  13.219
  255   1HB   ASP  35          1HB       ASP  35  -0.956   2.084  15.196
  256   2HB   ASP  35          2HB       ASP  35  -1.036   3.822  15.408
  257    H    ASP  36           H        ASP  36  -2.048   3.357  10.958
  258    HA   ASP  36           HA       ASP  36  -3.251   0.726  11.129
  259   1HB   ASP  36          1HB       ASP  36  -4.905   1.556   9.792
  260   2HB   ASP  36          2HB       ASP  36  -4.254   3.126  10.218
  261    H    CYS  37           H        CYS  37  -0.784   2.710   9.517
  262    HA   CYS  37           HA       CYS  37  -0.241   0.519   7.657
  263   1HB   CYS  37          1HB       CYS  37   0.722   3.395   7.518
  264   2HB   CYS  37          2HB       CYS  37   1.008   2.146   6.322
  265    H    HIS  38           H        HIS  38   0.919   2.576  10.238
  266    HA   HIS  38           HA       HIS  38   3.570   1.197  10.266
  267   1HB   HIS  38          1HB       HIS  38   2.554   3.782  11.568
  268   2HB   HIS  38          2HB       HIS  38   4.203   3.069  11.833
  269    HD1  HIS  38           HD1      HIS  38   5.614   2.824   9.548
  270    HD2  HIS  38           HD2      HIS  38   2.465   5.572   9.514
  271    HE1  HIS  38           HE1      HIS  38   6.079   4.427   7.583
  272    H    HIS  39           H        HIS  39   2.629  -0.743  11.038
  273    HA   HIS  39           HA       HIS  39   1.525  -0.715  13.798
  274   1HB   HIS  39          1HB       HIS  39   0.720  -2.880  13.365
  275   2HB   HIS  39          2HB       HIS  39   0.498  -1.973  11.808
  276    HD1  HIS  39           HD1      HIS  39   2.430  -4.748  13.378
  277    HD2  HIS  39           HD2      HIS  39   1.947  -2.982   9.621
  278    HE1  HIS  39           HE1      HIS  39   3.541  -6.343  11.686
  279    H    GLN  40           H        GLN  40   4.305   0.100  13.403
  280    HA   GLN  40           HA       GLN  40   5.623  -2.188  14.645
  281   1HB   GLN  40          1HB       GLN  40   6.669   0.018  12.850
  282   2HB   GLN  40          2HB       GLN  40   7.760  -0.834  13.925
  283   1HG   GLN  40          1HG       GLN  40   7.941  -2.278  12.142
  284   2HG   GLN  40          2HG       GLN  40   6.496  -2.982  12.839
  285   2HE2  GLN  40          1HE2      GLN  40   4.776  -3.173  11.619
  286   1HE2  GLN  40          2HE2      GLN  40   4.451  -2.345  10.132
  287    HA   PRO  41           HA       PRO  41   5.981   0.274  18.282
  288   1HB   PRO  41          1HB       PRO  41   7.869  -1.186  19.609
  289   2HB   PRO  41          2HB       PRO  41   6.230  -1.832  19.269
  290   1HG   PRO  41          1HG       PRO  41   8.746  -2.553  17.822
  291   2HG   PRO  41          2HG       PRO  41   7.283  -3.419  18.394
  292   1HD   PRO  41          1HD       PRO  41   7.771  -2.370  15.766
  293   2HD   PRO  41          2HD       PRO  41   6.197  -2.936  16.404
  294    H    GLY  42           H        GLY  42   7.383   1.894  19.247
  295   1HA   GLY  42          2HA       GLY  42   9.252   3.176  19.441
  296   2HA   GLY  42          1HA       GLY  42   8.995   3.364  17.718
  297    H    ASP  43           H        ASP  43   9.843   0.222  19.197
  298    HA   ASP  43           HA       ASP  43  12.547   0.363  19.106
  299   1HB   ASP  43          1HB       ASP  43  10.502  -1.811  18.871
  300   2HB   ASP  43          2HB       ASP  43  12.113  -2.237  18.327
  301    H    LYS  44           H        LYS  44  10.200  -0.690  16.531
  302    HA   LYS  44           HA       LYS  44  12.216   0.002  14.535
  303   1HB   LYS  44          1HB       LYS  44  11.071  -2.692  15.042
  304   2HB   LYS  44          2HB       LYS  44  11.123  -2.184  13.366
  305   1HG   LYS  44          1HG       LYS  44  13.583  -1.531  13.759
  306   2HG   LYS  44          2HG       LYS  44  13.467  -2.335  15.312
  307   1HD   LYS  44          1HD       LYS  44  13.966  -4.280  14.256
  308   2HD   LYS  44          2HD       LYS  44  12.384  -4.208  13.505
  309   1HE   LYS  44          1HE       LYS  44  13.240  -3.607  11.466
  310   2HE   LYS  44          2HE       LYS  44  14.362  -2.458  12.167
  311   1HZ   LYS  44          1HZ       LYS  44  15.191  -4.991  12.900
  312   2HZ   LYS  44          2HZ       LYS  44  14.881  -5.041  11.297
  313   3HZ   LYS  44          3HZ       LYS  44  15.937  -3.946  11.890
  314    H    GLN  45           H        GLN  45   9.980   1.515  15.552
  315    HA   GLN  45           HA       GLN  45   7.656   1.176  14.181
  316   1HB   GLN  45          1HB       GLN  45   8.080   2.821  16.031
  317   2HB   GLN  45          2HB       GLN  45   8.977   3.827  14.911
  318   1HG   GLN  45          1HG       GLN  45   7.064   4.742  14.107
  319   2HG   GLN  45          2HG       GLN  45   6.416   3.160  13.718
  320   2HE2  GLN  45          1HE2      GLN  45   4.641   4.929  14.456
  321   1HE2  GLN  45          2HE2      GLN  45   4.051   4.686  16.066
  322    H    TYR  46           H        TYR  46  10.361   3.370  13.303
  323    HA   TYR  46           HA       TYR  46   9.320   3.665  10.581
  324   1HB   TYR  46          1HB       TYR  46  11.932   4.685  11.725
  325   2HB   TYR  46          2HB       TYR  46  11.042   5.300  10.322
  326    HD1  TYR  46           HD1      TYR  46   8.350   5.689  11.155
  327    HD2  TYR  46           HD2      TYR  46  11.946   6.231  13.442
  328    HE1  TYR  46           HE1      TYR  46   7.178   7.317  12.612
  329    HE2  TYR  46           HE2      TYR  46  10.773   7.859  14.899
  330    HH   TYR  46           HH       TYR  46   7.354   8.329  14.856
  331    H    ALA  47           H        ALA  47  10.746   1.089  11.991
  332    HA   ALA  47           HA       ALA  47  13.063   0.634  10.525
  333   1HB   ALA  47          1HB       ALA  47  12.290  -0.633  12.531
  334   2HB   ALA  47          2HB       ALA  47  11.012  -1.376  11.540
  335   3HB   ALA  47          3HB       ALA  47  12.724  -1.698  11.172
  336    H    GLY  48           H        GLY  48  13.453  -0.620   8.599
  337   1HA   GLY  48          2HA       GLY  48  12.942  -1.542   6.585
  338   2HA   GLY  48          1HA       GLY  48  12.161   0.010   6.355
  339    H    CYS  49           H        CYS  49  10.535  -0.924   4.970
  340    HA   CYS  49           HA       CYS  49   8.356  -2.031   6.492
  341   1HB   CYS  49          1HB       CYS  49   8.125  -0.178   4.790
  342   2HB   CYS  49          2HB       CYS  49   8.431  -1.373   3.544
  343    H    THR  50           H        THR  50  10.642  -2.896   3.840
  344    HA   THR  50           HA       THR  50   9.536  -5.614   3.820
  345    HB   THR  50           HB       THR  50  11.035  -5.709   1.707
  346    HG1  THR  50           HG1      THR  50  12.392  -3.921   2.019
  347   1HG2  THR  50          1HG2      THR  50   8.476  -4.442   2.084
  348   2HG2  THR  50          2HG2      THR  50   9.421  -3.412   0.982
  349   3HG2  THR  50          3HG2      THR  50   9.139  -5.123   0.579
  350    H    THR  51           H        THR  51  11.086  -4.569   6.102
  351    HA   THR  51           HA       THR  51  13.748  -5.452   5.941
  352    HB   THR  51           HB       THR  51  12.161  -5.508   8.514
  353    HG1  THR  51           HG1      THR  51  11.752  -3.294   8.256
  354   1HG2  THR  51          1HG2      THR  51  14.913  -5.068   7.671
  355   2HG2  THR  51          2HG2      THR  51  14.297  -3.597   8.462
  356   3HG2  THR  51          3HG2      THR  51  14.266  -5.152   9.327
  357    H    ASP  52           H        ASP  52  14.478  -7.245   7.673
  358    HA   ASP  52           HA       ASP  52  13.739  -9.630   6.465
  359   1HB   ASP  52          1HB       ASP  52  15.912  -9.447   7.488
  360   2HB   ASP  52          2HB       ASP  52  15.234  -8.937   9.021
  361    H    GLY  53           H        GLY  53  12.499 -11.446   7.378
  362   1HA   GLY  53          2HA       GLY  53  11.298 -11.479   9.892
  363   2HA   GLY  53          1HA       GLY  53  10.786 -12.387   8.484
  364    H    CYS  54           H        CYS  54  10.616  -9.490   7.122
  365    HA   CYS  54           HA       CYS  54   8.000  -8.866   8.287
  366   1HB   CYS  54          1HB       CYS  54   9.783  -6.938   6.771
  367   2HB   CYS  54          2HB       CYS  54   8.303  -6.566   7.633
  368    H    HIS  55           H        HIS  55   8.201  -7.002   5.709
  369    HA   HIS  55           HA       HIS  55   6.991  -9.027   3.867
  370   1HB   HIS  55          1HB       HIS  55   6.686  -5.985   3.757
  371   2HB   HIS  55          2HB       HIS  55   5.679  -7.260   2.946
  372    HD1  HIS  55           HD1      HIS  55   4.013  -8.519   4.431
  373    HD2  HIS  55           HD2      HIS  55   5.898  -5.318   6.347
  374    HE1  HIS  55           HE1      HIS  55   2.629  -8.034   6.551
  375    H    ASN  56           H        ASN  56   9.408  -9.593   3.502
  376    HA   ASN  56           HA       ASN  56  10.688  -7.665   1.776
  377   1HB   ASN  56          1HB       ASN  56  12.607  -9.337   1.860
  378   2HB   ASN  56          2HB       ASN  56  12.144  -8.716   3.432
  379   2HD2  ASN  56          1HD2      ASN  56  13.524 -11.141   2.872
  380   1HD2  ASN  56          2HD2      ASN  56  12.571 -12.469   3.445
  381    H    ILE  57           H        ILE  57   9.412 -11.054   1.872
  382    HA   ILE  57           HA       ILE  57  10.139 -11.992  -0.557
  383    HB   ILE  57           HB       ILE  57   7.582 -12.328   0.998
  384   1HG1  ILE  57          1HG1      ILE  57  10.262 -13.390   1.197
  385   2HG1  ILE  57          2HG1      ILE  57   8.909 -13.556   2.297
  386   1HG2  ILE  57          1HG2      ILE  57   8.475 -13.810  -1.489
  387   2HG2  ILE  57          2HG2      ILE  57   7.175 -14.344  -0.396
  388   3HG2  ILE  57          3HG2      ILE  57   7.014 -12.812  -1.289
  389   1HD1  ILE  57          1HD1      ILE  57   9.246 -15.216  -0.243
  390   2HD1  ILE  57          2HD1      ILE  57   9.729 -15.756   1.383
  391   3HD1  ILE  57          3HD1      ILE  57   8.014 -15.445   1.022
  392    H    LEU  58           H        LEU  58  10.002 -11.215  -2.586
  393    HA   LEU  58           HA       LEU  58   7.817  -9.336  -3.130
  394   1HB   LEU  58          1HB       LEU  58  10.395  -9.681  -4.660
  395   2HB   LEU  58          2HB       LEU  58   9.202  -8.411  -4.850
  396    HG   LEU  58           HG       LEU  58  11.076  -8.840  -2.514
  397   1HD1  LEU  58          1HD1      LEU  58  11.521  -7.556  -4.883
  398   2HD1  LEU  58          2HD1      LEU  58  10.941  -6.224  -3.855
  399   3HD1  LEU  58          3HD1      LEU  58  12.346  -7.192  -3.348
  400   1HD2  LEU  58          1HD2      LEU  58   8.745  -8.163  -1.808
  401   2HD2  LEU  58          2HD2      LEU  58  10.055  -7.054  -1.337
  402   3HD2  LEU  58          3HD2      LEU  58   9.000  -6.651  -2.713
  403    H    ASP  59           H        ASP  59   7.124 -12.040  -3.012
  404    HA   ASP  59           HA       ASP  59   6.791 -12.584  -5.856
  405   1HB   ASP  59          1HB       ASP  59   7.634 -14.361  -3.599
  406   2HB   ASP  59          2HB       ASP  59   6.466 -15.057  -4.704
  407    H    LYS  60           H        LYS  60   4.732 -14.018  -6.216
  408    HA   LYS  60           HA       LYS  60   2.691 -13.187  -4.277
  409   1HB   LYS  60          1HB       LYS  60   2.394 -12.161  -6.454
  410   2HB   LYS  60          2HB       LYS  60   2.496 -13.716  -7.255
  411   1HG   LYS  60          1HG       LYS  60   0.494 -14.165  -5.369
  412   2HG   LYS  60          2HG       LYS  60   0.218 -12.489  -5.802
  413   1HD   LYS  60          1HD       LYS  60  -0.382 -12.997  -7.980
  414   2HD   LYS  60          2HD       LYS  60   0.745 -14.334  -8.097
  415   1HE   LYS  60          1HE       LYS  60  -1.809 -14.435  -6.425
  416   2HE   LYS  60          2HE       LYS  60  -1.719 -15.002  -8.080
  417   1HZ   LYS  60          1HZ       LYS  60   0.154 -16.433  -7.295
  418   2HZ   LYS  60          2HZ       LYS  60  -0.261 -16.046  -5.764
  419   3HZ   LYS  60          3HZ       LYS  60  -1.321 -16.835  -6.723
  420    H    ALA  61           H        ALA  61   3.687 -15.861  -6.516
  421    HA   ALA  61           HA       ALA  61   1.856 -17.717  -5.507
  422   1HB   ALA  61          2HB       ALA  61   3.632 -19.341  -6.517
  423   2HB   ALA  61          3HB       ALA  61   2.803 -18.200  -7.602
  424   3HB   ALA  61          1HB       ALA  61   4.457 -17.854  -7.043
  425    H    ASP  62           H        ASP  62   4.633 -16.254  -4.087
  426    HA   ASP  62           HA       ASP  62   5.582 -18.406  -2.612
  427   1HB   ASP  62          1HB       ASP  62   5.841 -15.452  -2.620
  428   2HB   ASP  62          2HB       ASP  62   6.034 -16.152  -1.025
  429    H    LYS  63           H        LYS  63   3.128 -15.813  -2.001
  430    HA   LYS  63           HA       LYS  63   1.362 -15.779  -0.656
  431   1HB   LYS  63          1HB       LYS  63   2.087 -18.521   0.396
  432   2HB   LYS  63          2HB       LYS  63   0.524 -17.731   0.437
  433   1HG   LYS  63          1HG       LYS  63   1.957 -18.357  -2.181
  434   2HG   LYS  63          2HG       LYS  63   0.881 -19.505  -1.409
  435   1HD   LYS  63          1HD       LYS  63  -0.384 -16.873  -1.538
  436   2HD   LYS  63          2HD       LYS  63   0.159 -17.359  -3.131
  437   1HE   LYS  63          1HE       LYS  63  -0.981 -19.629  -2.702
  438   2HE   LYS  63          2HE       LYS  63  -1.692 -18.913  -1.270
  439   1HZ   LYS  63          1HZ       LYS  63  -1.977 -17.349  -3.654
  440   2HZ   LYS  63          2HZ       LYS  63  -2.764 -18.780  -3.687
  441   3HZ   LYS  63          3HZ       LYS  63  -3.078 -17.702  -2.500
  442    H    SER  64           H        SER  64   1.401 -17.065   2.115
  443    HA   SER  64           HA       SER  64   2.072 -16.597   4.127
  444   1HB   SER  64          1HB       SER  64   4.277 -17.203   4.056
  445   2HB   SER  64          2HB       SER  64   4.587 -16.296   2.589
  446    HG   SER  64           HG       SER  64   5.470 -15.616   4.915
  447    H    VAL  65           H        VAL  65   2.508 -14.704   5.662
  448    HA   VAL  65           HA       VAL  65   1.413 -12.301   4.445
  449    HB   VAL  65           HB       VAL  65   0.494 -13.453   6.518
  450   1HG1  VAL  65          1HG1      VAL  65   2.931 -13.625   7.472
  451   2HG1  VAL  65          2HG1      VAL  65   2.611 -11.976   8.060
  452   3HG1  VAL  65          3HG1      VAL  65   1.562 -13.321   8.570
  453   1HG2  VAL  65          1HG2      VAL  65   1.234 -10.511   6.668
  454   2HG2  VAL  65          2HG2      VAL  65  -0.186 -11.206   5.850
  455   3HG2  VAL  65          3HG2      VAL  65  -0.041 -11.308   7.621
  456    H    ASN  66           H        ASN  66   4.141 -13.059   3.763
  457    HA   ASN  66           HA       ASN  66   5.489 -10.821   5.055
  458   1HB   ASN  66          1HB       ASN  66   6.445 -13.630   4.478
  459   2HB   ASN  66          2HB       ASN  66   7.614 -12.335   4.310
  460   2HD2  ASN  66          1HD2      ASN  66   4.935 -13.154   6.520
  461   1HD2  ASN  66          2HD2      ASN  66   5.800 -12.929   8.004
  462    H    SER  67           H        SER  67   3.860 -11.415   2.433
  463    HA   SER  67           HA       SER  67   5.958 -10.922   0.496
  464   1HB   SER  67          1HB       SER  67   3.162 -11.993   0.392
  465   2HB   SER  67          2HB       SER  67   3.694 -11.081  -1.007
  466    HG   SER  67           HG       SER  67   4.546 -13.601  -0.062
  467    H    TRP  68           H        TRP  68   6.454  -8.783   0.176
  468    HA   TRP  68           HA       TRP  68   5.045  -6.642   1.090
  469   1HB   TRP  68          1HB       TRP  68   7.294  -6.397   0.385
  470   2HB   TRP  68          2HB       TRP  68   6.929  -6.924  -1.246
  471    HD1  TRP  68           HD1      TRP  68   6.988  -4.880  -2.858
  472    HE1  TRP  68           HE1      TRP  68   6.345  -2.321  -2.848
  473    HE3  TRP  68           HE3      TRP  68   5.349  -4.772   1.955
  474    HZ2  TRP  68           HZ2      TRP  68   5.248  -0.577  -0.872
  475    HZ3  TRP  68           HZ3      TRP  68   4.508  -2.601   2.846
  476    HH2  TRP  68           HH2      TRP  68   4.441  -0.551   1.517
  477    H    TYR  69           H        TYR  69   4.829  -8.362  -2.022
  478    HA   TYR  69           HA       TYR  69   2.658  -6.640  -2.973
  479   1HB   TYR  69          1HB       TYR  69   4.317  -7.442  -4.553
  480   2HB   TYR  69          2HB       TYR  69   4.003  -9.122  -4.088
  481    HD1  TYR  69           HD1      TYR  69   2.502  -6.129  -5.723
  482    HD2  TYR  69           HD2      TYR  69   2.254 -10.370  -5.087
  483    HE1  TYR  69           HE1      TYR  69   0.761  -6.291  -7.482
  484    HE2  TYR  69           HE2      TYR  69   0.513 -10.532  -6.846
  485    HH   TYR  69           HH       TYR  69  -1.311  -8.664  -7.890
  486    H    LYS  70           H        LYS  70   1.720  -7.596  -0.593
  487    HA   LYS  70           HA       LYS  70  -0.297  -9.475  -1.522
  488   1HB   LYS  70          1HB       LYS  70   1.653 -10.712  -0.396
  489   2HB   LYS  70          2HB       LYS  70   1.126  -9.964   1.098
  490   1HG   LYS  70          1HG       LYS  70  -0.180 -11.863   1.225
  491   2HG   LYS  70          2HG       LYS  70  -1.278 -10.885   0.272
  492   1HD   LYS  70          1HD       LYS  70  -0.873 -12.070  -1.686
  493   2HD   LYS  70          2HD       LYS  70   0.793 -12.414  -1.267
  494   1HE   LYS  70          1HE       LYS  70  -1.653 -13.744  -0.004
  495   2HE   LYS  70          2HE       LYS  70  -0.616 -14.473  -1.215
  496   1HZ   LYS  70          1HZ       LYS  70   1.229 -14.027   0.428
  497   2HZ   LYS  70          2HZ       LYS  70   0.061 -13.774   1.542
  498   3HZ   LYS  70          3HZ       LYS  70   0.184 -15.225   0.802
  499    H    VAL  71           H        VAL  71   0.887  -7.675   1.410
  500    HA   VAL  71           HA       VAL  71  -1.751  -7.173   2.302
  501    HB   VAL  71           HB       VAL  71  -0.752  -6.149   4.093
  502   1HG1  VAL  71          1HG1      VAL  71   0.278  -8.510   3.360
  503   2HG1  VAL  71          2HG1      VAL  71   1.774  -7.545   3.335
  504   3HG1  VAL  71          3HG1      VAL  71   0.806  -7.648   4.825
  505   1HG2  VAL  71          1HG2      VAL  71   0.276  -4.298   2.846
  506   2HG2  VAL  71          2HG2      VAL  71   1.397  -4.963   4.059
  507   3HG2  VAL  71          3HG2      VAL  71   1.604  -5.371   2.339
  508    H    VAL  72           H        VAL  72   0.014  -5.976  -0.329
  509    HA   VAL  72           HA       VAL  72  -1.060  -3.289  -0.147
  510    HB   VAL  72           HB       VAL  72   0.800  -4.753  -2.002
  511   1HG1  VAL  72          1HG1      VAL  72  -0.697  -3.396  -3.416
  512   2HG1  VAL  72          2HG1      VAL  72  -0.310  -1.959  -2.439
  513   3HG1  VAL  72          3HG1      VAL  72   0.962  -2.751  -3.399
  514   1HG2  VAL  72          1HG2      VAL  72   1.551  -3.726   0.209
  515   2HG2  VAL  72          2HG2      VAL  72   2.440  -3.218  -1.247
  516   3HG2  VAL  72          3HG2      VAL  72   1.218  -2.141  -0.529
  517    H    HIS  73           H        HIS  73  -1.472  -6.324  -1.876
  518    HA   HIS  73           HA       HIS  73  -3.911  -5.206  -3.217
  519   1HB   HIS  73          1HB       HIS  73  -2.186  -7.600  -4.055
  520   2HB   HIS  73          2HB       HIS  73  -3.571  -6.862  -4.967
  521    HD1  HIS  73           HD1      HIS  73  -0.018  -6.189  -3.951
  522    HD2  HIS  73           HD2      HIS  73  -2.891  -4.743  -6.620
  523    HE1  HIS  73           HE1      HIS  73   1.212  -4.547  -5.510
  524    H    ASP  74           H        ASP  74  -3.387  -6.476  -0.398
  525    HA   ASP  74           HA       ASP  74  -4.791  -8.929  -0.544
  526   1HB   ASP  74          1HB       ASP  74  -3.571  -7.195   1.550
  527   2HB   ASP  74          2HB       ASP  74  -4.958  -8.114   2.101
  528    H    ALA  75           H        ALA  75  -6.556  -7.538  -1.883
  529    HA   ALA  75           HA       ALA  75  -8.207  -5.712  -0.678
  530   1HB   ALA  75          2HB       ALA  75  -9.364  -7.813  -2.488
  531   2HB   ALA  75          1HB       ALA  75  -8.059  -6.777  -3.113
  532   3HB   ALA  75          3HB       ALA  75  -9.570  -6.046  -2.520
  533    H    LYS  76           H        LYS  76  -7.935  -9.212  -0.189
  534    HA   LYS  76           HA       LYS  76 -10.428  -9.715   0.902
  535   1HB   LYS  76          1HB       LYS  76  -8.704 -11.396   0.233
  536   2HB   LYS  76          2HB       LYS  76  -7.783 -10.985   1.665
  537   1HG   LYS  76          1HG       LYS  76  -9.088 -12.892   2.288
  538   2HG   LYS  76          2HG       LYS  76  -9.885 -11.526   3.043
  539   1HD   LYS  76          1HD       LYS  76 -11.674 -11.533   1.485
  540   2HD   LYS  76          2HD       LYS  76 -10.752 -12.403   0.275
  541   1HE   LYS  76          1HE       LYS  76 -11.726 -13.582   2.923
  542   2HE   LYS  76          2HE       LYS  76 -12.477 -13.853   1.363
  543   1HZ   LYS  76          1HZ       LYS  76 -10.242 -14.702   0.656
  544   2HZ   LYS  76          2HZ       LYS  76  -9.816 -14.709   2.233
  545   3HZ   LYS  76          3HZ       LYS  76 -11.056 -15.638   1.718
  546    H    GLY  77           H        GLY  77  -7.569  -8.066   2.223
  547   1HA   GLY  77          2HA       GLY  77  -9.104  -6.920   4.328
  548   2HA   GLY  77          1HA       GLY  77  -7.382  -6.756   4.051
  549    H    GLY  78           H        GLY  78  -6.580  -7.138   6.122
  550   1HA   GLY  78          2HA       GLY  78  -5.633  -9.141   7.237
  551   2HA   GLY  78          1HA       GLY  78  -7.271  -9.760   7.309
  552    H    ALA  79           H        ALA  79  -5.126  -8.779   9.385
  553    HA   ALA  79           HA       ALA  79  -6.939  -7.911  11.308
  554   1HB   ALA  79          3HB       ALA  79  -5.165  -8.270  12.656
  555   2HB   ALA  79          2HB       ALA  79  -4.157  -7.101  11.770
  556   3HB   ALA  79          1HB       ALA  79  -4.292  -8.778  11.190
  557    H    LYS  80           H        LYS  80  -4.714  -6.127   9.107
  558    HA   LYS  80           HA       LYS  80  -6.133  -3.684   9.904
  559   1HB   LYS  80          1HB       LYS  80  -3.365  -4.274  10.243
  560   2HB   LYS  80          2HB       LYS  80  -3.490  -3.072   8.974
  561   1HG   LYS  80          1HG       LYS  80  -4.344  -1.453  10.389
  562   2HG   LYS  80          2HG       LYS  80  -5.257  -2.608  11.340
  563   1HD   LYS  80          1HD       LYS  80  -2.419  -3.137  11.682
  564   2HD   LYS  80          2HD       LYS  80  -2.720  -1.434  11.967
  565   1HE   LYS  80          1HE       LYS  80  -4.493  -3.557  13.231
  566   2HE   LYS  80          2HE       LYS  80  -2.973  -3.102  13.975
  567   1HZ   LYS  80          1HZ       LYS  80  -4.629  -0.898  13.189
  568   2HZ   LYS  80          2HZ       LYS  80  -5.260  -1.830  14.373
  569   3HZ   LYS  80          3HZ       LYS  80  -3.795  -1.135  14.574
  570    HA   PRO  81           HA       PRO  81  -7.375  -3.114   5.782
  571   1HB   PRO  81          1HB       PRO  81  -6.741  -0.368   5.545
  572   2HB   PRO  81          2HB       PRO  81  -8.230  -1.051   6.275
  573   1HG   PRO  81          1HG       PRO  81  -5.777  -0.030   7.834
  574   2HG   PRO  81          2HG       PRO  81  -7.553   0.107   8.049
  575   1HD   PRO  81          1HD       PRO  81  -6.017  -1.788   9.347
  576   2HD   PRO  81          2HD       PRO  81  -7.700  -2.116   8.834
  577    H    THR  82           H        THR  82  -6.469  -2.931   3.613
  578    HA   THR  82           HA       THR  82  -3.536  -2.949   3.656
  579    HB   THR  82           HB       THR  82  -4.021  -4.000   1.307
  580    HG1  THR  82           HG1      THR  82  -6.198  -4.168   0.908
  581   1HG2  THR  82          1HG2      THR  82  -4.793  -5.254   3.968
  582   2HG2  THR  82          2HG2      THR  82  -5.045  -6.153   2.453
  583   3HG2  THR  82          3HG2      THR  82  -3.406  -5.638   2.920
  584    H    CYS  83           H        CYS  83  -5.051  -2.410   0.598
  585    HA   CYS  83           HA       CYS  83  -4.712   0.461   0.832
  586   1HB   CYS  83          1HB       CYS  83  -3.248  -1.155  -1.265
  587   2HB   CYS  83          2HB       CYS  83  -3.297   0.593  -1.152
  588    H    ILE  84           H        ILE  84  -5.439  -2.424  -1.245
  589    HA   ILE  84           HA       ILE  84  -7.215  -0.884  -2.897
  590    HB   ILE  84           HB       ILE  84  -5.787  -3.322  -3.070
  591   1HG1  ILE  84          1HG1      ILE  84  -7.629  -2.017  -5.094
  592   2HG1  ILE  84          2HG1      ILE  84  -5.998  -1.477  -4.749
  593   1HG2  ILE  84          1HG2      ILE  84  -7.802  -4.445  -2.232
  594   2HG2  ILE  84          2HG2      ILE  84  -8.759  -3.700  -3.535
  595   3HG2  ILE  84          3HG2      ILE  84  -7.468  -4.860  -3.930
  596   1HD1  ILE  84          1HD1      ILE  84  -5.783  -4.282  -5.155
  597   2HD1  ILE  84          2HD1      ILE  84  -6.873  -3.685  -6.429
  598   3HD1  ILE  84          3HD1      ILE  84  -5.244  -2.990  -6.254
  599    H    SER  85           H        SER  85  -7.356  -2.432   0.171
  600    HA   SER  85           HA       SER  85 -10.058  -3.253  -0.023
  601   1HB   SER  85          1HB       SER  85  -9.859  -3.626   2.424
  602   2HB   SER  85          2HB       SER  85  -8.521  -4.342   1.548
  603    HG   SER  85           HG       SER  85  -7.323  -2.282   2.053
  604    H    CYS  86           H        CYS  86  -8.626  -0.909   2.353
  605    HA   CYS  86           HA       CYS  86 -10.819   0.413   3.050
  606   1HB   CYS  86          1HB       CYS  86  -8.604   0.877   3.985
  607   2HB   CYS  86          2HB       CYS  86  -8.109   1.667   2.501
  608    H    HIS  87           H        HIS  87  -8.932   0.776   0.091
  609    HA   HIS  87           HA       HIS  87 -10.284   3.067  -0.988
  610   1HB   HIS  87          1HB       HIS  87  -8.443   0.884  -1.995
  611   2HB   HIS  87          2HB       HIS  87  -9.323   1.913  -3.206
  612    HD1  HIS  87           HD1      HIS  87  -7.636   3.398  -4.067
  613    HD2  HIS  87           HD2      HIS  87  -7.383   3.140   0.097
  614    HE1  HIS  87           HE1      HIS  87  -5.841   5.103  -3.349
  615    H    LYS  88           H        LYS  88 -10.708  -0.512  -1.638
  616    HA   LYS  88           HA       LYS  88 -12.879  -0.152  -3.362
  617   1HB   LYS  88          1HB       LYS  88 -11.461  -2.189  -3.201
  618   2HB   LYS  88          2HB       LYS  88 -12.181  -2.554  -1.646
  619   1HG   LYS  88          1HG       LYS  88 -14.370  -2.870  -2.613
  620   2HG   LYS  88          2HG       LYS  88 -13.894  -2.128  -4.128
  621   1HD   LYS  88          1HD       LYS  88 -12.302  -4.522  -3.263
  622   2HD   LYS  88          2HD       LYS  88 -13.958  -4.826  -3.747
  623   1HE   LYS  88          1HE       LYS  88 -13.521  -4.403  -5.957
  624   2HE   LYS  88          2HE       LYS  88 -12.550  -2.990  -5.594
  625   1HZ   LYS  88          1HZ       LYS  88 -10.795  -4.574  -4.884
  626   2HZ   LYS  88          2HZ       LYS  88 -11.692  -5.793  -5.497
  627   3HZ   LYS  88          3HZ       LYS  88 -11.135  -4.614  -6.481
  628    H    ASP  89           H        ASP  89 -12.556   0.293   0.050
  629    HA   ASP  89           HA       ASP  89 -15.390  -0.140   0.442
  630   1HB   ASP  89          1HB       ASP  89 -13.268  -0.728   2.047
  631   2HB   ASP  89          2HB       ASP  89 -13.611   0.886   2.637
  632    H    LYS  90           H        LYS  90 -13.851   2.167  -1.062
  633    HA   LYS  90           HA       LYS  90 -15.378   4.307   0.184
  634   1HB   LYS  90          1HB       LYS  90 -12.413   4.158   0.072
  635   2HB   LYS  90          2HB       LYS  90 -13.122   5.686  -0.410
  636   1HG   LYS  90          1HG       LYS  90 -13.424   6.209   1.772
  637   2HG   LYS  90          2HG       LYS  90 -14.560   4.882   1.915
  638   1HD   LYS  90          1HD       LYS  90 -12.923   3.382   2.732
  639   2HD   LYS  90          2HD       LYS  90 -11.595   4.287   2.034
  640   1HE   LYS  90          1HE       LYS  90 -12.107   4.420   4.651
  641   2HE   LYS  90          2HE       LYS  90 -11.530   5.828   3.781
  642   1HZ   LYS  90          1HZ       LYS  90 -14.394   5.360   3.899
  643   2HZ   LYS  90          2HZ       LYS  90 -13.648   5.949   5.227
  644   3HZ   LYS  90          3HZ       LYS  90 -13.579   6.773   3.819
  645    H    ALA  91           H        ALA  91 -16.709   3.621  -1.726
  646    HA   ALA  91           HA       ALA  91 -16.389   5.417  -3.813
  647   1HB   ALA  91          1HB       ALA  91 -15.207   2.674  -4.264
  648   2HB   ALA  91          3HB       ALA  91 -14.567   4.267  -4.733
  649   3HB   ALA  91          2HB       ALA  91 -15.946   3.567  -5.614
  650    H    GLY  92           H        GLY  92 -17.427   2.014  -3.088
  651   1HA   GLY  92          2HA       GLY  92 -20.198   2.833  -3.530
  652   2HA   GLY  92          1HA       GLY  92 -19.628   1.361  -2.769
  653    H    ASP  93           H        ASP  93 -21.635   1.599  -4.911
  654    HA   ASP  93           HA       ASP  93 -20.573  -0.401  -6.585
  655   1HB   ASP  93          1HB       ASP  93 -22.849   0.036  -7.814
  656   2HB   ASP  93          2HB       ASP  93 -22.879  -0.631  -6.194
  657    H    ASP  94           H        ASP  94 -20.739   3.095  -6.607
  658    HA   ASP  94           HA       ASP  94 -20.916   3.574  -9.318
  659   1HB   ASP  94          1HB       ASP  94 -19.773   5.048  -6.941
  660   2HB   ASP  94          2HB       ASP  94 -19.432   5.675  -8.541
  661    H    LYS  95           H        LYS  95 -19.493   1.847 -10.248
  662    HA   LYS  95           HA       LYS  95 -16.896   1.365  -9.668
  663   1HB   LYS  95          1HB       LYS  95 -16.833   0.206 -11.635
  664   2HB   LYS  95          2HB       LYS  95 -18.566   0.388 -11.462
  665   1HG   LYS  95          1HG       LYS  95 -18.539   2.373 -12.950
  666   2HG   LYS  95          2HG       LYS  95 -16.793   2.285 -13.072
  667   1HD   LYS  95          1HD       LYS  95 -17.478  -0.282 -13.810
  668   2HD   LYS  95          2HD       LYS  95 -18.873   0.603 -14.395
  669   1HE   LYS  95          1HE       LYS  95 -16.078   1.627 -14.990
  670   2HE   LYS  95          2HE       LYS  95 -16.756   0.331 -15.956
  671   1HZ   LYS  95          1HZ       LYS  95 -18.532   2.533 -15.547
  672   2HZ   LYS  95          2HZ       LYS  95 -17.186   2.919 -16.388
  673   3HZ   LYS  95          3HZ       LYS  95 -18.169   1.728 -16.921
  674    H    GLU  96           H        GLU  96 -18.292   4.275 -11.061
  675    HA   GLU  96           HA       GLU  96 -16.133   5.264 -12.407
  676   1HB   GLU  96          1HB       GLU  96 -18.156   6.455 -12.639
  677   2HB   GLU  96          2HB       GLU  96 -18.430   6.537 -10.910
  678   1HG   GLU  96          1HG       GLU  96 -17.137   8.419 -10.658
  679   2HG   GLU  96          2HG       GLU  96 -15.910   7.851 -11.773
  680    H    LEU  97           H        LEU  97 -16.774   5.060  -8.909
  681    HA   LEU  97           HA       LEU  97 -14.366   6.628  -8.382
  682   1HB   LEU  97          1HB       LEU  97 -16.898   6.439  -7.154
  683   2HB   LEU  97          2HB       LEU  97 -15.759   5.717  -6.035
  684    HG   LEU  97           HG       LEU  97 -15.226   8.418  -7.265
  685   1HD1  LEU  97          1HD1      LEU  97 -17.073   7.742  -4.991
  686   2HD1  LEU  97          2HD1      LEU  97 -16.177   9.281  -5.010
  687   3HD1  LEU  97          3HD1      LEU  97 -17.297   8.887  -6.336
  688   1HD2  LEU  97          1HD2      LEU  97 -14.202   6.896  -4.875
  689   2HD2  LEU  97          2HD2      LEU  97 -13.296   7.617  -6.228
  690   3HD2  LEU  97          3HD2      LEU  97 -14.039   8.665  -4.996
  691    H    LYS  98           H        LYS  98 -14.936   3.604  -9.346
  692    HA   LYS  98           HA       LYS  98 -13.262   2.352  -7.297
  693   1HB   LYS  98          1HB       LYS  98 -15.446   1.294  -7.828
  694   2HB   LYS  98          2HB       LYS  98 -14.927   1.076  -9.487
  695   1HG   LYS  98          1HG       LYS  98 -14.228  -0.969  -8.690
  696   2HG   LYS  98          2HG       LYS  98 -12.794  -0.060  -8.255
  697   1HD   LYS  98          1HD       LYS  98 -13.420  -1.271  -6.278
  698   2HD   LYS  98          2HD       LYS  98 -13.880   0.393  -5.980
  699   1HE   LYS  98          1HE       LYS  98 -15.872  -0.610  -5.363
  700   2HE   LYS  98          2HE       LYS  98 -16.205  -0.436  -7.075
  701   1HZ   LYS  98          1HZ       LYS  98 -14.770  -2.814  -6.345
  702   2HZ   LYS  98          2HZ       LYS  98 -16.305  -2.736  -5.792
  703   3HZ   LYS  98          3HZ       LYS  98 -16.007  -2.622  -7.394
  704    H    LYS  99           H        LYS  99 -13.469   3.306 -10.725
  705    HA   LYS  99           HA       LYS  99 -11.290   1.859 -11.662
  706   1HB   LYS  99          1HB       LYS  99 -12.799   4.287 -12.526
  707   2HB   LYS  99          2HB       LYS  99 -11.242   3.992 -13.273
  708   1HG   LYS  99          1HG       LYS  99 -11.919   1.880 -14.152
  709   2HG   LYS  99          2HG       LYS  99 -13.268   1.743 -13.041
  710   1HD   LYS  99          1HD       LYS  99 -14.086   2.313 -15.297
  711   2HD   LYS  99          2HD       LYS  99 -14.429   3.623 -14.185
  712   1HE   LYS  99          1HE       LYS  99 -11.851   4.222 -15.177
  713   2HE   LYS  99          2HE       LYS  99 -12.717   3.617 -16.575
  714   1HZ   LYS  99          1HZ       LYS  99 -14.504   5.180 -16.001
  715   2HZ   LYS  99          2HZ       LYS  99 -13.576   5.801 -14.810
  716   3HZ   LYS  99          3HZ       LYS  99 -13.100   5.928 -16.367
  717    H    LYS 100           H        LYS 100 -11.528   4.936  -9.852
  718    HA   LYS 100           HA       LYS 100  -8.598   5.076  -9.906
  719   1HB   LYS 100          1HB       LYS 100 -10.382   7.017 -10.592
  720   2HB   LYS 100          2HB       LYS 100 -10.159   7.382  -8.893
  721   1HG   LYS 100          1HG       LYS 100  -7.693   7.446  -9.204
  722   2HG   LYS 100          2HG       LYS 100  -7.877   7.006 -10.891
  723   1HD   LYS 100          1HD       LYS 100  -7.553   9.487 -10.511
  724   2HD   LYS 100          2HD       LYS 100  -9.006   9.092 -11.408
  725   1HE   LYS 100          1HE       LYS 100  -9.366   9.179  -8.448
  726   2HE   LYS 100          2HE       LYS 100  -8.942  10.716  -9.175
  727   1HZ   LYS 100          1HZ       LYS 100 -11.162   8.996 -10.042
  728   2HZ   LYS 100          2HZ       LYS 100 -11.308  10.361  -9.159
  729   3HZ   LYS 100          3HZ       LYS 100 -10.773  10.439 -10.700
  730    H    LEU 101           H        LEU 101  -8.405   3.352  -8.322
  731    HA   LEU 101           HA       LEU 101  -8.012   4.201  -5.775
  732   1HB   LEU 101          1HB       LEU 101 -10.767   4.095  -6.220
  733   2HB   LEU 101          2HB       LEU 101 -10.409   2.633  -5.323
  734    HG   LEU 101           HG       LEU 101  -9.597   3.818  -3.458
  735   1HD1  LEU 101          1HD1      LEU 101  -8.902   5.841  -5.418
  736   2HD1  LEU 101          2HD1      LEU 101  -9.705   6.554  -3.998
  737   3HD1  LEU 101          3HD1      LEU 101  -8.249   5.553  -3.787
  738   1HD2  LEU 101          1HD2      LEU 101 -12.102   4.876  -4.671
  739   2HD2  LEU 101          2HD2      LEU 101 -11.840   3.993  -3.148
  740   3HD2  LEU 101          3HD2      LEU 101 -11.452   5.727  -3.249
  741    H    THR 102           H        THR 102  -9.579   1.410  -7.494
  742    HA   THR 102           HA       THR 102  -7.422  -0.268  -6.387
  743    HB   THR 102           HB       THR 102  -9.109  -2.101  -6.438
  744    HG1  THR 102           HG1      THR 102 -10.603  -1.562  -8.010
  745   1HG2  THR 102          1HG2      THR 102  -9.521   0.392  -4.884
  746   2HG2  THR 102          2HG2      THR 102 -11.019  -0.539  -5.122
  747   3HG2  THR 102          3HG2      THR 102  -9.613  -1.300  -4.341
  748    H    GLY 103           H        GLY 103  -9.152   0.890  -9.227
  749   1HA   GLY 103          2HA       GLY 103  -8.541   0.769 -11.399
  750   2HA   GLY 103          1HA       GLY 103  -8.684  -0.958 -11.142
  751    H    CYS 104           H        CYS 104  -6.956  -0.844 -12.951
  752    HA   CYS 104           HA       CYS 104  -4.333  -0.616 -11.663
  753   1HB   CYS 104          1HB       CYS 104  -4.673  -2.364 -14.042
  754   2HB   CYS 104          2HB       CYS 104  -3.596  -2.521 -12.668
  755    H    LYS 105           H        LYS 105  -5.552  -1.000 -15.068
  756    HA   LYS 105           HA       LYS 105  -3.737   1.053 -15.933
  757   1HB   LYS 105          1HB       LYS 105  -3.952  -0.897 -17.308
  758   2HB   LYS 105          2HB       LYS 105  -5.697  -0.752 -17.368
  759   1HG   LYS 105          1HG       LYS 105  -5.088   1.691 -18.350
  760   2HG   LYS 105          2HG       LYS 105  -3.603   0.875 -18.797
  761   1HD   LYS 105          1HD       LYS 105  -4.952  -0.910 -19.948
  762   2HD   LYS 105          2HD       LYS 105  -6.422  -0.049 -19.533
  763   1HE   LYS 105          1HE       LYS 105  -5.337   0.341 -21.902
  764   2HE   LYS 105          2HE       LYS 105  -5.986   1.714 -21.028
  765   1HZ   LYS 105          1HZ       LYS 105  -3.165   0.893 -20.965
  766   2HZ   LYS 105          2HZ       LYS 105  -3.764   2.105 -21.882
  767   3HZ   LYS 105          3HZ       LYS 105  -3.795   2.221 -20.253
  768    H    GLY 106           H        GLY 106  -4.426   2.990 -14.960
  769   1HA   GLY 106          2HA       GLY 106  -7.041   3.963 -15.946
  770   2HA   GLY 106          1HA       GLY 106  -5.606   4.953 -15.775
  771    H    SER 107           H        SER 107  -4.756   3.637 -13.208
  772    HA   SER 107           HA       SER 107  -6.760   4.929 -11.534
  773   1HB   SER 107          1HB       SER 107  -6.232   3.201  -9.769
  774   2HB   SER 107          2HB       SER 107  -7.051   2.558 -11.178
  775    HG   SER 107           HG       SER 107  -4.256   2.340 -10.488
  776    H    ALA 108           H        ALA 108  -5.782   5.567  -9.313
  777    HA   ALA 108           HA       ALA 108  -3.707   7.282  -9.618
  778   1HB   ALA 108          3HB       ALA 108  -3.648   7.378  -7.214
  779   2HB   ALA 108          1HB       ALA 108  -5.333   7.048  -7.685
  780   3HB   ALA 108          2HB       ALA 108  -4.305   5.729  -7.073
  781    H    CYS 109           H        CYS 109  -3.612   3.772  -9.326
  782    HA   CYS 109           HA       CYS 109  -0.690   3.953  -9.179
  783   1HB   CYS 109          1HB       CYS 109  -2.257   1.495  -8.389
  784   2HB   CYS 109          2HB       CYS 109  -0.597   1.907  -8.006
  785    H    HIS 110           H        HIS 110   0.455   2.687 -10.637
  786    HA   HIS 110           HA       HIS 110   0.944   1.782 -12.686
  787   1HB   HIS 110          1HB       HIS 110  -1.667   0.220 -12.392
  788   2HB   HIS 110          2HB       HIS 110  -0.121  -0.275 -13.205
  789    HD1  HIS 110           HD1      HIS 110   1.765   0.397 -10.850
  790    HD2  HIS 110           HD2      HIS 110  -1.781  -1.789 -10.505
  791    HE1  HIS 110           HE1      HIS 110   2.025  -1.066  -8.744
  792    HA   PRO 111           HA       PRO 111  -2.096   4.556 -14.825
  793   1HB   PRO 111          1HB       PRO 111  -0.530   6.778 -15.075
  794   2HB   PRO 111          2HB       PRO 111  -1.424   6.409 -13.564
  795   1HG   PRO 111          1HG       PRO 111   1.361   5.844 -14.435
  796   2HG   PRO 111          2HG       PRO 111   1.008   6.539 -12.819
  797   1HD   PRO 111          1HD       PRO 111   1.563   3.875 -13.182
  798   2HD   PRO 111          2HD       PRO 111   0.361   4.418 -11.972
  799    H    SER 112           H        SER 112  -2.173   4.560 -17.104
  800    HA   SER 112           HA       SER 112  -1.564   3.930 -19.104
  801   1HB   SER 112          1HB       SER 112   0.723   5.052 -19.847
  802   2HB   SER 112          2HB       SER 112  -0.682   6.041 -19.502
  803    HG   SER 112           HG       SER 112   1.742   6.104 -18.298

  No H/Q in entry =         803
  Start of MODEL    8
    1    H1   VAL   1           H1       VAL   1   6.503  12.245  13.925
    2    H2   VAL   1           H2       VAL   1   7.971  11.510  14.142
    3    H3   VAL   1           H3       VAL   1   7.647  12.950  14.893
    4    HA   VAL   1           HA       VAL   1   8.394  14.082  13.260
    5    HB   VAL   1           HB       VAL   1  10.119  12.724  12.772
    6   1HG1  VAL   1          1HG1      VAL   1   8.156  10.472  12.226
    7   2HG1  VAL   1          2HG1      VAL   1   9.928  10.328  12.141
    8   3HG1  VAL   1          3HG1      VAL   1   9.139  10.703  13.692
    9   1HG2  VAL   1          1HG2      VAL   1   9.131  13.650  10.590
   10   2HG2  VAL   1          2HG2      VAL   1  10.310  12.323  10.458
   11   3HG2  VAL   1          3HG2      VAL   1   8.571  11.989  10.281
   12    H    ASP   2           H        ASP   2   7.266  15.389  11.912
   13    HA   ASP   2           HA       ASP   2   4.758  14.997  11.177
   14   1HB   ASP   2          1HB       ASP   2   6.924  16.401   9.544
   15   2HB   ASP   2          2HB       ASP   2   5.207  16.610   9.264
   16    H    VAL   3           H        VAL   3   3.813  14.660   8.852
   17    HA   VAL   3           HA       VAL   3   4.648  12.142   7.899
   18    HB   VAL   3           HB       VAL   3   2.983  12.767   6.042
   19   1HG1  VAL   3          1HG1      VAL   3   2.620  11.449   8.257
   20   2HG1  VAL   3          2HG1      VAL   3   1.770  12.917   8.797
   21   3HG1  VAL   3          3HG1      VAL   3   1.202  12.038   7.357
   22   1HG2  VAL   3          1HG2      VAL   3   3.321  15.305   6.792
   23   2HG2  VAL   3          2HG2      VAL   3   1.781  14.714   6.125
   24   3HG2  VAL   3          3HG2      VAL   3   1.977  14.895   7.884
   25    HA   PRO   4           HA       PRO   4   7.669  13.225   4.923
   26   1HB   PRO   4          1HB       PRO   4   7.476  11.129   3.203
   27   2HB   PRO   4          2HB       PRO   4   7.981  10.899   4.909
   28   1HG   PRO   4          1HG       PRO   4   5.400  10.689   3.698
   29   2HG   PRO   4          2HG       PRO   4   5.990   9.360   4.749
   30   1HD   PRO   4          1HD       PRO   4   4.259  11.136   5.752
   31   2HD   PRO   4          2HD       PRO   4   5.709  10.734   6.720
   32    H    ALA   5           H        ALA   5   7.758  14.579   3.101
   33    HA   ALA   5           HA       ALA   5   5.513  15.695   2.058
   34   1HB   ALA   5          3HB       ALA   5   7.663  16.701   1.733
   35   2HB   ALA   5          1HB       ALA   5   8.279  15.268   0.875
   36   3HB   ALA   5          2HB       ALA   5   7.046  16.300   0.112
   37    H    ASP   6           H        ASP   6   4.898  15.580  -0.424
   38    HA   ASP   6           HA       ASP   6   4.073  12.864  -0.806
   39   1HB   ASP   6          1HB       ASP   6   3.462  14.906  -2.894
   40   2HB   ASP   6          2HB       ASP   6   2.394  13.748  -2.127
   41    H    GLY   7           H        GLY   7   4.087  12.169  -3.336
   42   1HA   GLY   7          2HA       GLY   7   6.426  13.130  -4.775
   43   2HA   GLY   7          1HA       GLY   7   5.205  12.006  -5.339
   44    H    ALA   8           H        ALA   8   5.302  10.288  -2.896
   45    HA   ALA   8           HA       ALA   8   8.031   9.327  -2.844
   46   1HB   ALA   8          1HB       ALA   8   5.858   9.397  -1.051
   47   2HB   ALA   8          2HB       ALA   8   6.061   7.680  -1.473
   48   3HB   ALA   8          3HB       ALA   8   7.430   8.599  -0.802
   49    H    LYS   9           H        LYS   9   8.741   8.035  -4.464
   50    HA   LYS   9           HA       LYS   9   6.785   6.491  -5.947
   51   1HB   LYS   9          1HB       LYS   9   9.693   7.189  -6.376
   52   2HB   LYS   9          2HB       LYS   9   8.883   5.976  -7.346
   53   1HG   LYS   9          1HG       LYS   9   8.858   8.346  -8.311
   54   2HG   LYS   9          2HG       LYS   9   7.295   7.560  -8.211
   55   1HD   LYS   9          1HD       LYS   9   6.656   8.825  -6.267
   56   2HD   LYS   9          2HD       LYS   9   8.301   9.345  -5.962
   57   1HE   LYS   9          1HE       LYS   9   7.020  10.090  -8.598
   58   2HE   LYS   9          2HE       LYS   9   6.545  10.970  -7.159
   59   1HZ   LYS   9          1HZ       LYS   9   9.264  10.823  -7.050
   60   2HZ   LYS   9          2HZ       LYS   9   8.942  11.144  -8.618
   61   3HZ   LYS   9          3HZ       LYS   9   8.376  12.134  -7.450
   62    H    ILE  10           H        ILE  10   6.235   4.491  -5.288
   63    HA   ILE  10           HA       ILE  10   8.146   3.065  -3.604
   64    HB   ILE  10           HB       ILE  10   5.208   2.601  -4.129
   65   1HG1  ILE  10          1HG1      ILE  10   6.638   3.803  -1.740
   66   2HG1  ILE  10          2HG1      ILE  10   5.637   4.670  -2.888
   67   1HG2  ILE  10          1HG2      ILE  10   6.993   0.692  -3.382
   68   2HG2  ILE  10          2HG2      ILE  10   6.505   1.340  -1.797
   69   3HG2  ILE  10          3HG2      ILE  10   5.274   0.710  -2.918
   70   1HD1  ILE  10          1HD1      ILE  10   4.391   2.265  -1.604
   71   2HD1  ILE  10          2HD1      ILE  10   4.664   3.682  -0.562
   72   3HD1  ILE  10          3HD1      ILE  10   3.663   3.833  -2.027
   73    H    ASP  11           H        ASP  11   9.551   1.772  -4.660
   74    HA   ASP  11           HA       ASP  11   8.433  -0.024  -6.606
   75   1HB   ASP  11          1HB       ASP  11   9.264   1.988  -7.890
   76   2HB   ASP  11          2HB       ASP  11  10.861   1.728  -7.217
   77    H    PHE  12           H        PHE  12   8.951  -1.642  -4.958
   78    HA   PHE  12           HA       PHE  12  11.766  -1.838  -4.219
   79   1HB   PHE  12          1HB       PHE  12   9.090  -2.998  -3.286
   80   2HB   PHE  12          2HB       PHE  12  10.589  -3.731  -2.750
   81    HD1  PHE  12           HD1      PHE  12  12.285  -2.194  -1.562
   82    HD2  PHE  12           HD2      PHE  12   8.211  -1.162  -2.145
   83    HE1  PHE  12           HE1      PHE  12  12.446  -0.510   0.293
   84    HE2  PHE  12           HE2      PHE  12   8.371   0.521  -0.291
   85    HZ   PHE  12           HZ       PHE  12  10.487   0.827   0.906
   86    H    ILE  13           H        ILE  13   9.677  -2.936  -6.635
   87    HA   ILE  13           HA       ILE  13  11.039  -5.528  -6.794
   88    HB   ILE  13           HB       ILE  13   8.369  -4.520  -7.662
   89   1HG1  ILE  13          1HG1      ILE  13   8.779  -7.315  -6.807
   90   2HG1  ILE  13          2HG1      ILE  13   9.227  -6.120  -5.607
   91   1HG2  ILE  13          1HG2      ILE  13   9.972  -6.654  -9.071
   92   2HG2  ILE  13          2HG2      ILE  13   8.192  -6.635  -9.081
   93   3HG2  ILE  13          3HG2      ILE  13   9.101  -5.266  -9.765
   94   1HD1  ILE  13          1HD1      ILE  13   6.599  -5.842  -7.090
   95   2HD1  ILE  13          2HD1      ILE  13   6.738  -6.953  -5.706
   96   3HD1  ILE  13          3HD1      ILE  13   7.050  -5.215  -5.486
   97    H    ALA  14           H        ALA  14  12.949  -5.218  -7.858
   98    HA   ALA  14           HA       ALA  14  13.476  -3.225  -9.679
   99   1HB   ALA  14          3HB       ALA  14  15.397  -4.255  -8.980
  100   2HB   ALA  14          2HB       ALA  14  15.164  -5.185 -10.479
  101   3HB   ALA  14          1HB       ALA  14  14.640  -5.865  -8.920
  102    H    GLY  15           H        GLY  15  12.157  -6.548 -10.188
  103   1HA   GLY  15          2HA       GLY  15  10.685  -5.789 -12.467
  104   2HA   GLY  15          1HA       GLY  15  10.999  -7.419 -11.908
  105    H    GLY  16           H        GLY  16  11.990  -4.835 -14.098
  106   1HA   GLY  16          2HA       GLY  16  13.398  -6.725 -15.753
  107   2HA   GLY  16          1HA       GLY  16  14.453  -5.557 -14.983
  108    H    GLU  17           H        GLU  17  14.045  -3.212 -15.336
  109    HA   GLU  17           HA       GLU  17  13.597  -1.477 -16.564
  110   1HB   GLU  17          1HB       GLU  17  14.990  -2.655 -18.220
  111   2HB   GLU  17          2HB       GLU  17  13.592  -3.514 -18.834
  112   1HG   GLU  17          1HG       GLU  17  12.590  -1.473 -19.680
  113   2HG   GLU  17          2HG       GLU  17  13.738  -0.470 -18.817
  114    H    LYS  18           H        LYS  18  11.930  -0.373 -18.094
  115    HA   LYS  18           HA       LYS  18   9.781   0.249 -18.143
  116   1HB   LYS  18          1HB       LYS  18  10.337  -1.570 -20.038
  117   2HB   LYS  18          2HB       LYS  18   9.039  -2.426 -19.230
  118   1HG   LYS  18          1HG       LYS  18   7.450  -0.992 -20.021
  119   2HG   LYS  18          2HG       LYS  18   8.393   0.423 -19.597
  120   1HD   LYS  18          1HD       LYS  18   9.865  -0.547 -21.718
  121   2HD   LYS  18          2HD       LYS  18   8.255  -1.060 -22.184
  122   1HE   LYS  18          1HE       LYS  18   7.414   1.271 -21.916
  123   2HE   LYS  18          2HE       LYS  18   9.002   1.797 -21.393
  124   1HZ   LYS  18          1HZ       LYS  18   9.058   0.386 -23.861
  125   2HZ   LYS  18          2HZ       LYS  18   8.147   1.739 -23.933
  126   3HZ   LYS  18          3HZ       LYS  18   9.712   1.832 -23.476
  127    H    ASN  19           H        ASN  19  10.332  -0.368 -15.547
  128    HA   ASN  19           HA       ASN  19   8.456  -2.327 -14.652
  129   1HB   ASN  19          1HB       ASN  19   9.339  -1.863 -12.436
  130   2HB   ASN  19          2HB       ASN  19  10.707  -1.840 -13.530
  131   2HD2  ASN  19          1HD2      ASN  19   9.956  -0.493 -10.903
  132   1HD2  ASN  19          2HD2      ASN  19  10.344   1.181 -11.126
  133    H    LEU  20           H        LEU  20   7.235  -1.293 -12.420
  134    HA   LEU  20           HA       LEU  20   5.905   1.150 -13.363
  135   1HB   LEU  20          1HB       LEU  20   3.815   0.289 -12.495
  136   2HB   LEU  20          2HB       LEU  20   4.464  -0.739 -13.757
  137    HG   LEU  20           HG       LEU  20   4.991  -1.421 -10.879
  138   1HD1  LEU  20          1HD1      LEU  20   2.375  -1.144 -11.969
  139   2HD1  LEU  20          2HD1      LEU  20   2.714  -2.882 -11.780
  140   3HD1  LEU  20          3HD1      LEU  20   2.863  -1.788 -10.383
  141   1HD2  LEU  20          1HD2      LEU  20   5.827  -2.554 -13.206
  142   2HD2  LEU  20          2HD2      LEU  20   5.660  -3.419 -11.659
  143   3HD2  LEU  20          3HD2      LEU  20   4.359  -3.504 -12.871
  144    H    THR  21           H        THR  21   5.376   2.702 -11.776
  145    HA   THR  21           HA       THR  21   6.393   2.100  -9.082
  146    HB   THR  21           HB       THR  21   6.758   4.770 -10.516
  147    HG1  THR  21           HG1      THR  21   8.592   3.828 -11.411
  148   1HG2  THR  21          1HG2      THR  21   7.860   3.402  -8.042
  149   2HG2  THR  21          2HG2      THR  21   8.887   4.554  -8.928
  150   3HG2  THR  21          3HG2      THR  21   7.334   5.090  -8.244
  151    H    VAL  22           H        VAL  22   5.206   2.858  -7.366
  152    HA   VAL  22           HA       VAL  22   2.673   4.123  -8.144
  153    HB   VAL  22           HB       VAL  22   3.446   2.140  -6.028
  154   1HG1  VAL  22          1HG1      VAL  22   1.052   4.000  -5.978
  155   2HG1  VAL  22          2HG1      VAL  22   1.138   2.481  -5.054
  156   3HG1  VAL  22          3HG1      VAL  22   2.303   3.788  -4.729
  157   1HG2  VAL  22          1HG2      VAL  22   1.862   2.164  -8.475
  158   2HG2  VAL  22          2HG2      VAL  22   2.483   0.790  -7.528
  159   3HG2  VAL  22          3HG2      VAL  22   0.933   1.546  -7.088
  160    H    VAL  23           H        VAL  23   2.240   6.150  -7.405
  161    HA   VAL  23           HA       VAL  23   4.240   7.333  -5.654
  162    HB   VAL  23           HB       VAL  23   2.079   8.413  -7.456
  163   1HG1  VAL  23          1HG1      VAL  23   3.727   9.878  -5.381
  164   2HG1  VAL  23          2HG1      VAL  23   3.006  10.696  -6.788
  165   3HG1  VAL  23          3HG1      VAL  23   1.961   9.881  -5.600
  166   1HG2  VAL  23          1HG2      VAL  23   4.981   8.007  -7.624
  167   2HG2  VAL  23          2HG2      VAL  23   3.780   8.261  -8.913
  168   3HG2  VAL  23          3HG2      VAL  23   4.472   9.658  -8.054
  169    H    PHE  24           H        PHE  24   3.859   7.878  -3.545
  170    HA   PHE  24           HA       PHE  24   1.122   7.402  -2.600
  171   1HB   PHE  24          1HB       PHE  24   2.979   5.878  -1.775
  172   2HB   PHE  24          2HB       PHE  24   3.876   7.280  -1.228
  173    HD1  PHE  24           HD1      PHE  24   2.572   8.829   0.476
  174    HD2  PHE  24           HD2      PHE  24   1.662   4.748  -0.249
  175    HE1  PHE  24           HE1      PHE  24   1.436   8.686   2.709
  176    HE2  PHE  24           HE2      PHE  24   0.525   4.605   1.984
  177    HZ   PHE  24           HZ       PHE  24   0.426   6.575   3.437
  178    H    ASN  25           H        ASN  25   0.260   8.829  -0.955
  179    HA   ASN  25           HA       ASN  25   1.789  11.268  -0.603
  180   1HB   ASN  25          1HB       ASN  25  -1.184  11.546  -1.004
  181   2HB   ASN  25          2HB       ASN  25   0.094  12.676  -1.407
  182   2HD2  ASN  25          1HD2      ASN  25  -0.232  13.063  -3.487
  183   1HD2  ASN  25          2HD2      ASN  25  -0.246  11.887  -4.759
  184    H    HIS  26           H        HIS  26   1.820  11.716   1.519
  185    HA   HIS  26           HA       HIS  26   0.125  10.244   3.406
  186   1HB   HIS  26          1HB       HIS  26   2.536  12.073   3.513
  187   2HB   HIS  26          2HB       HIS  26   1.536  11.856   5.013
  188    HD1  HIS  26           HD1      HIS  26   3.606   9.886   2.559
  189    HD2  HIS  26           HD2      HIS  26   2.054   9.543   6.424
  190    HE1  HIS  26           HE1      HIS  26   4.659   7.762   3.570
  191    H    SER  27           H        SER  27  -0.444  12.918   1.475
  192    HA   SER  27           HA       SER  27  -1.649  14.576   3.440
  193   1HB   SER  27          1HB       SER  27  -2.595  15.720   1.310
  194   2HB   SER  27          2HB       SER  27  -0.860  15.753   1.554
  195    HG   SER  27           HG       SER  27  -1.214  15.126  -0.590
  196    H    THR  28           H        THR  28  -2.598  11.898   1.314
  197    HA   THR  28           HA       THR  28  -5.415  12.318   2.032
  198    HB   THR  28           HB       THR  28  -5.606  10.481   0.148
  199    HG1  THR  28           HG1      THR  28  -3.322   9.983   0.128
  200   1HG2  THR  28          1HG2      THR  28  -6.138  12.927  -0.246
  201   2HG2  THR  28          2HG2      THR  28  -4.414  13.205  -0.590
  202   3HG2  THR  28          3HG2      THR  28  -5.376  12.152  -1.656
  203    H    HIS  29           H        HIS  29  -3.225  11.336   3.768
  204    HA   HIS  29           HA       HIS  29  -4.676   8.967   4.781
  205   1HB   HIS  29          1HB       HIS  29  -1.681   8.912   4.106
  206   2HB   HIS  29          2HB       HIS  29  -2.620   7.609   4.954
  207    HD1  HIS  29           HD1      HIS  29  -1.352   8.505   1.771
  208    HD2  HIS  29           HD2      HIS  29  -4.818   6.588   3.105
  209    HE1  HIS  29           HE1      HIS  29  -2.271   7.194  -0.249
  210    H    LYS  30           H        LYS  30  -4.396  11.793   5.607
  211    HA   LYS  30           HA       LYS  30  -2.615  11.650   7.891
  212   1HB   LYS  30          1HB       LYS  30  -3.983  13.771   6.353
  213   2HB   LYS  30          2HB       LYS  30  -3.911  14.050   8.081
  214   1HG   LYS  30          1HG       LYS  30  -1.534  14.002   8.126
  215   2HG   LYS  30          2HG       LYS  30  -1.424  13.135   6.607
  216   1HD   LYS  30          1HD       LYS  30  -2.028  15.084   5.324
  217   2HD   LYS  30          2HD       LYS  30  -2.598  15.940   6.743
  218   1HE   LYS  30          1HE       LYS  30   0.086  15.288   7.356
  219   2HE   LYS  30          2HE       LYS  30   0.128  15.745   5.665
  220   1HZ   LYS  30          1HZ       LYS  30  -1.439  17.626   6.685
  221   2HZ   LYS  30          2HZ       LYS  30  -0.455  17.353   7.959
  222   3HZ   LYS  30          3HZ       LYS  30   0.177  17.785   6.517
  223    H    ASP  31           H        ASP  31  -6.094  11.594   7.049
  224    HA   ASP  31           HA       ASP  31  -6.876  11.734   9.770
  225   1HB   ASP  31          1HB       ASP  31  -9.076  11.675   8.948
  226   2HB   ASP  31          2HB       ASP  31  -8.204  12.382   7.602
  227    H    VAL  32           H        VAL  32  -5.220   9.417   8.105
  228    HA   VAL  32           HA       VAL  32  -6.727   7.173   9.246
  229    HB   VAL  32           HB       VAL  32  -4.756   7.393   6.972
  230   1HG1  VAL  32          1HG1      VAL  32  -5.803   4.915   8.368
  231   2HG1  VAL  32          2HG1      VAL  32  -5.140   4.897   6.715
  232   3HG1  VAL  32          3HG1      VAL  32  -4.111   5.389   8.082
  233   1HG2  VAL  32          1HG2      VAL  32  -7.689   7.093   7.234
  234   2HG2  VAL  32          2HG2      VAL  32  -6.715   7.788   5.916
  235   3HG2  VAL  32          3HG2      VAL  32  -6.918   6.024   6.037
  236    H    LYS  33           H        LYS  33  -5.930   6.197  11.037
  237    HA   LYS  33           HA       LYS  33  -3.812   7.160  12.452
  238   1HB   LYS  33          1HB       LYS  33  -5.220   4.498  12.418
  239   2HB   LYS  33          2HB       LYS  33  -3.857   4.765  13.486
  240   1HG   LYS  33          1HG       LYS  33  -6.412   6.437  13.381
  241   2HG   LYS  33          2HG       LYS  33  -5.973   5.304  14.644
  242   1HD   LYS  33          1HD       LYS  33  -3.738   7.027  14.441
  243   2HD   LYS  33          2HD       LYS  33  -5.121   8.089  14.273
  244   1HE   LYS  33          1HE       LYS  33  -5.913   7.645  16.423
  245   2HE   LYS  33          2HE       LYS  33  -5.265   6.017  16.448
  246   1HZ   LYS  33          1HZ       LYS  33  -3.626   8.452  16.588
  247   2HZ   LYS  33          2HZ       LYS  33  -4.054   7.543  17.875
  248   3HZ   LYS  33          3HZ       LYS  33  -3.083   6.918  16.721
  249    H    CYS  34           H        CYS  34  -1.624   7.077  12.313
  250    HA   CYS  34           HA       CYS  34  -0.429   6.032  10.029
  251   1HB   CYS  34          1HB       CYS  34   1.177   6.487  12.506
  252   2HB   CYS  34          2HB       CYS  34   1.554   6.870  10.838
  253    H    ASP  35           H        ASP  35  -1.253   4.692  13.201
  254    HA   ASP  35           HA       ASP  35   0.572   2.580  13.156
  255   1HB   ASP  35          1HB       ASP  35  -0.904   1.596  14.907
  256   2HB   ASP  35          2HB       ASP  35  -0.556   3.285  15.220
  257    H    ASP  36           H        ASP  36  -2.112   3.325  11.195
  258    HA   ASP  36           HA       ASP  36  -3.217   0.740  10.963
  259   1HB   ASP  36          1HB       ASP  36  -4.683   1.714   9.426
  260   2HB   ASP  36          2HB       ASP  36  -4.209   3.114  10.367
  261    H    CYS  37           H        CYS  37  -0.579   2.614   9.489
  262    HA   CYS  37           HA       CYS  37  -0.173   0.452   7.554
  263   1HB   CYS  37          1HB       CYS  37   0.527   3.393   7.406
  264   2HB   CYS  37          2HB       CYS  37   1.262   2.203   6.350
  265    H    HIS  38           H        HIS  38   1.181   2.632   9.970
  266    HA   HIS  38           HA       HIS  38   3.784   1.182   9.959
  267   1HB   HIS  38          1HB       HIS  38   2.859   3.771  11.324
  268   2HB   HIS  38          2HB       HIS  38   4.526   3.060  11.430
  269    HD1  HIS  38           HD1      HIS  38   5.769   2.892   9.071
  270    HD2  HIS  38           HD2      HIS  38   2.531   5.528   9.256
  271    HE1  HIS  38           HE1      HIS  38   6.038   4.502   7.076
  272    H    HIS  39           H        HIS  39   3.009  -0.746  10.822
  273    HA   HIS  39           HA       HIS  39   2.020  -0.667  13.640
  274   1HB   HIS  39          1HB       HIS  39   1.081  -2.782  13.279
  275   2HB   HIS  39          2HB       HIS  39   0.806  -1.891  11.721
  276    HD1  HIS  39           HD1      HIS  39   2.605  -4.774  13.218
  277    HD2  HIS  39           HD2      HIS  39   2.167  -2.958   9.479
  278    HE1  HIS  39           HE1      HIS  39   3.560  -6.436  11.495
  279    H    GLN  40           H        GLN  40   4.790   0.038  13.022
  280    HA   GLN  40           HA       GLN  40   6.192  -2.334  13.934
  281   1HB   GLN  40          1HB       GLN  40   6.905   0.041  12.319
  282   2HB   GLN  40          2HB       GLN  40   8.114  -0.363  13.521
  283   1HG   GLN  40          1HG       GLN  40   6.985  -2.650  11.933
  284   2HG   GLN  40          2HG       GLN  40   8.022  -1.533  11.068
  285   2HE2  GLN  40          1HE2      GLN  40   8.209  -2.280  14.505
  286   1HE2  GLN  40          2HE2      GLN  40   9.749  -3.072  14.492
  287    HA   PRO  41           HA       PRO  41   5.986  -0.332  17.942
  288   1HB   PRO  41          1HB       PRO  41   6.404  -2.604  19.397
  289   2HB   PRO  41          2HB       PRO  41   4.851  -2.283  18.558
  290   1HG   PRO  41          1HG       PRO  41   7.249  -3.822  17.738
  291   2HG   PRO  41          2HG       PRO  41   5.585  -4.476  17.590
  292   1HD   PRO  41          1HD       PRO  41   6.922  -3.418  15.449
  293   2HD   PRO  41          2HD       PRO  41   5.165  -3.155  15.659
  294    H    GLY  42           H        GLY  42   7.630   0.095  19.642
  295   1HA   GLY  42          2HA       GLY  42  10.334  -0.831  18.900
  296   2HA   GLY  42          1HA       GLY  42   9.813  -0.352  20.503
  297    H    ASP  43           H        ASP  43  11.832   0.644  18.209
  298    HA   ASP  43           HA       ASP  43  11.027   3.436  18.436
  299   1HB   ASP  43          1HB       ASP  43  13.617   2.069  19.099
  300   2HB   ASP  43          2HB       ASP  43  13.747   3.625  18.303
  301    H    LYS  44           H        LYS  44  10.806   1.232  16.292
  302    HA   LYS  44           HA       LYS  44  12.141   2.742  14.175
  303   1HB   LYS  44          1HB       LYS  44  12.188  -0.284  14.361
  304   2HB   LYS  44          2HB       LYS  44  12.872   0.696  13.080
  305   1HG   LYS  44          1HG       LYS  44  13.956   1.769  15.474
  306   2HG   LYS  44          2HG       LYS  44  14.000   0.032  15.700
  307   1HD   LYS  44          1HD       LYS  44  16.072   0.958  14.591
  308   2HD   LYS  44          2HD       LYS  44  15.276  -0.292  13.655
  309   1HE   LYS  44          1HE       LYS  44  14.546   1.194  12.012
  310   2HE   LYS  44          2HE       LYS  44  14.409   2.538  13.128
  311   1HZ   LYS  44          1HZ       LYS  44  17.004   1.408  12.365
  312   2HZ   LYS  44          2HZ       LYS  44  16.297   2.621  11.530
  313   3HZ   LYS  44          3HZ       LYS  44  16.712   2.840  13.095
  314    H    GLN  45           H        GLN  45   9.552   3.236  14.901
  315    HA   GLN  45           HA       GLN  45   7.633   1.580  13.895
  316   1HB   GLN  45          1HB       GLN  45   7.297   3.660  15.294
  317   2HB   GLN  45          2HB       GLN  45   7.582   4.629  13.862
  318   1HG   GLN  45          1HG       GLN  45   5.470   4.279  13.090
  319   2HG   GLN  45          2HG       GLN  45   5.601   2.545  13.308
  320   2HE2  GLN  45          1HE2      GLN  45   4.712   1.567  15.025
  321   1HE2  GLN  45          2HE2      GLN  45   3.816   2.358  16.279
  322    H    TYR  46           H        TYR  46  10.022   3.425  12.268
  323    HA   TYR  46           HA       TYR  46   8.577   3.218   9.676
  324   1HB   TYR  46          1HB       TYR  46  11.159   4.697  10.022
  325   2HB   TYR  46          2HB       TYR  46   9.798   5.032   8.938
  326    HD1  TYR  46           HD1      TYR  46   7.638   5.946   9.953
  327    HD2  TYR  46           HD2      TYR  46  11.362   5.807  12.088
  328    HE1  TYR  46           HE1      TYR  46   6.789   7.649  11.544
  329    HE2  TYR  46           HE2      TYR  46  10.514   7.510  13.679
  330    HH   TYR  46           HH       TYR  46   7.237   8.446  13.891
  331    H    ALA  47           H        ALA  47  10.309   1.146  11.422
  332    HA   ALA  47           HA       ALA  47  12.650   0.598  10.134
  333   1HB   ALA  47          3HB       ALA  47  12.380  -0.805  11.908
  334   2HB   ALA  47          1HB       ALA  47  10.615  -0.902  11.694
  335   3HB   ALA  47          2HB       ALA  47  11.690  -1.900  10.685
  336    H    GLY  48           H        GLY  48  13.245  -0.854   8.391
  337   1HA   GLY  48          2HA       GLY  48  12.928  -1.988   6.444
  338   2HA   GLY  48          1HA       GLY  48  12.180  -0.471   5.984
  339    H    CYS  49           H        CYS  49  10.498  -1.204   4.676
  340    HA   CYS  49           HA       CYS  49   8.290  -2.368   6.071
  341   1HB   CYS  49          1HB       CYS  49   8.301  -0.538   4.214
  342   2HB   CYS  49          2HB       CYS  49   8.377  -1.894   3.106
  343    H    THR  50           H        THR  50  10.696  -3.263   3.537
  344    HA   THR  50           HA       THR  50   9.607  -5.990   3.533
  345    HB   THR  50           HB       THR  50  11.094  -6.121   1.432
  346    HG1  THR  50           HG1      THR  50  12.477  -4.328   1.915
  347   1HG2  THR  50          1HG2      THR  50   8.589  -4.670   1.792
  348   2HG2  THR  50          2HG2      THR  50   9.582  -3.855   0.560
  349   3HG2  THR  50          3HG2      THR  50   9.151  -5.571   0.364
  350    H    THR  51           H        THR  51  10.931  -5.169   5.887
  351    HA   THR  51           HA       THR  51  13.676  -5.955   5.741
  352    HB   THR  51           HB       THR  51  12.008  -5.854   8.274
  353    HG1  THR  51           HG1      THR  51  11.856  -3.599   7.952
  354   1HG2  THR  51          1HG2      THR  51  14.815  -5.097   7.388
  355   2HG2  THR  51          2HG2      THR  51  14.082  -4.288   8.793
  356   3HG2  THR  51          3HG2      THR  51  14.316  -6.052   8.804
  357    H    ASP  52           H        ASP  52  14.441  -7.720   7.403
  358    HA   ASP  52           HA       ASP  52  13.656 -10.119   6.316
  359   1HB   ASP  52          1HB       ASP  52  15.018 -11.148   8.084
  360   2HB   ASP  52          2HB       ASP  52  15.823  -9.717   7.471
  361    H    GLY  53           H        GLY  53  12.272 -11.825   7.141
  362   1HA   GLY  53          2HA       GLY  53  11.077 -11.873   9.660
  363   2HA   GLY  53          1HA       GLY  53  10.513 -12.706   8.225
  364    H    CYS  54           H        CYS  54  10.310 -10.023   6.729
  365    HA   CYS  54           HA       CYS  54   7.801  -9.202   7.998
  366   1HB   CYS  54          1HB       CYS  54   9.636  -7.311   6.503
  367   2HB   CYS  54          2HB       CYS  54   8.196  -6.909   7.417
  368    H    HIS  55           H        HIS  55   8.034  -7.297   5.473
  369    HA   HIS  55           HA       HIS  55   6.759  -9.240   3.590
  370   1HB   HIS  55          1HB       HIS  55   6.581  -6.189   3.507
  371   2HB   HIS  55          2HB       HIS  55   5.503  -7.419   2.718
  372    HD1  HIS  55           HD1      HIS  55   3.805  -8.593   4.230
  373    HD2  HIS  55           HD2      HIS  55   5.881  -5.497   6.119
  374    HE1  HIS  55           HE1      HIS  55   2.486  -8.048   6.377
  375    H    ASN  56           H        ASN  56   9.131  -9.912   3.187
  376    HA   ASN  56           HA       ASN  56  10.493  -8.005   1.499
  377   1HB   ASN  56          1HB       ASN  56  12.341  -9.759   1.546
  378   2HB   ASN  56          2HB       ASN  56  11.910  -9.144   3.130
  379   2HD2  ASN  56          1HD2      ASN  56  13.207 -11.564   2.702
  380   1HD2  ASN  56          2HD2      ASN  56  12.192 -12.877   3.197
  381    H    ILE  57           H        ILE  57   9.182 -11.392   1.542
  382    HA   ILE  57           HA       ILE  57   9.826 -12.317  -0.884
  383    HB   ILE  57           HB       ILE  57   7.235 -12.518   0.636
  384   1HG1  ILE  57          1HG1      ILE  57   9.846 -13.761   0.821
  385   2HG1  ILE  57          2HG1      ILE  57   8.493 -13.822   1.934
  386   1HG2  ILE  57          1HG2      ILE  57   8.060 -14.042  -1.850
  387   2HG2  ILE  57          2HG2      ILE  57   6.699 -14.472  -0.786
  388   3HG2  ILE  57          3HG2      ILE  57   6.679 -12.932  -1.678
  389   1HD1  ILE  57          1HD1      ILE  57   8.703 -15.511  -0.601
  390   2HD1  ILE  57          2HD1      ILE  57   9.120 -16.080   1.033
  391   3HD1  ILE  57          3HD1      ILE  57   7.441 -15.631   0.648
  392    H    LEU  58           H        LEU  58   9.808 -11.459  -2.885
  393    HA   LEU  58           HA       LEU  58   7.715  -9.488  -3.457
  394   1HB   LEU  58          1HB       LEU  58  10.333  -9.923  -4.896
  395   2HB   LEU  58          2HB       LEU  58   9.192  -8.616  -5.143
  396    HG   LEU  58           HG       LEU  58  10.920  -9.096  -2.705
  397   1HD1  LEU  58          1HD1      LEU  58  11.402  -7.732  -5.121
  398   2HD1  LEU  58          2HD1      LEU  58  11.118  -6.478  -3.889
  399   3HD1  LEU  58          3HD1      LEU  58  12.379  -7.708  -3.633
  400   1HD2  LEU  58          1HD2      LEU  58   8.667  -8.315  -2.045
  401   2HD2  LEU  58          2HD2      LEU  58   9.947  -7.126  -1.700
  402   3HD2  LEU  58          3HD2      LEU  58   8.874  -6.897  -3.102
  403    H    ASP  59           H        ASP  59   6.903 -12.161  -3.409
  404    HA   ASP  59           HA       ASP  59   6.569 -12.603  -6.267
  405   1HB   ASP  59          1HB       ASP  59   6.946 -14.902  -6.073
  406   2HB   ASP  59          2HB       ASP  59   8.102 -14.276  -4.915
  407    H    LYS  60           H        LYS  60   4.582 -14.396  -6.422
  408    HA   LYS  60           HA       LYS  60   2.600 -13.761  -4.372
  409   1HB   LYS  60          1HB       LYS  60   0.919 -13.219  -6.034
  410   2HB   LYS  60          2HB       LYS  60   2.279 -12.122  -6.170
  411   1HG   LYS  60          1HG       LYS  60   3.203 -13.645  -8.013
  412   2HG   LYS  60          2HG       LYS  60   1.691 -14.529  -7.952
  413   1HD   LYS  60          1HD       LYS  60   0.442 -12.747  -8.833
  414   2HD   LYS  60          2HD       LYS  60   1.557 -11.529  -8.244
  415   1HE   LYS  60          1HE       LYS  60   1.613 -11.889 -10.765
  416   2HE   LYS  60          2HE       LYS  60   3.171 -12.022  -9.975
  417   1HZ   LYS  60          1HZ       LYS  60   1.978 -14.521  -9.933
  418   2HZ   LYS  60          2HZ       LYS  60   1.841 -13.949 -11.457
  419   3HZ   LYS  60          3HZ       LYS  60   3.312 -14.058 -10.755
  420    H    ALA  61           H        ALA  61   4.279 -16.097  -4.761
  421    HA   ALA  61           HA       ALA  61   2.133 -18.016  -5.268
  422   1HB   ALA  61          3HB       ALA  61   3.499 -19.369  -6.678
  423   2HB   ALA  61          2HB       ALA  61   4.957 -18.418  -6.308
  424   3HB   ALA  61          1HB       ALA  61   3.663 -17.711  -7.304
  425    H    ASP  62           H        ASP  62   3.863 -16.642  -2.994
  426    HA   ASP  62           HA       ASP  62   4.782 -19.150  -1.834
  427   1HB   ASP  62          1HB       ASP  62   6.008 -16.602  -2.039
  428   2HB   ASP  62          2HB       ASP  62   5.504 -16.712  -0.364
  429    H    LYS  63           H        LYS  63   2.436 -16.573  -1.749
  430    HA   LYS  63           HA       LYS  63   0.727 -16.107  -0.434
  431   1HB   LYS  63          1HB       LYS  63   1.202 -18.776   0.919
  432   2HB   LYS  63          2HB       LYS  63  -0.286 -17.852   0.892
  433   1HG   LYS  63          1HG       LYS  63   0.969 -18.593  -1.752
  434   2HG   LYS  63          2HG       LYS  63   0.157 -19.854  -0.845
  435   1HD   LYS  63          1HD       LYS  63  -1.309 -17.246  -1.128
  436   2HD   LYS  63          2HD       LYS  63  -1.146 -18.215  -2.579
  437   1HE   LYS  63          1HE       LYS  63  -1.874 -20.071  -0.564
  438   2HE   LYS  63          2HE       LYS  63  -2.861 -18.659  -0.240
  439   1HZ   LYS  63          1HZ       LYS  63  -2.941 -18.961  -2.938
  440   2HZ   LYS  63          2HZ       LYS  63  -3.043 -20.490  -2.374
  441   3HZ   LYS  63          3HZ       LYS  63  -4.122 -19.365  -1.886
  442    H    SER  64           H        SER  64   0.579 -17.125   2.481
  443    HA   SER  64           HA       SER  64   1.125 -16.401   4.452
  444   1HB   SER  64          1HB       SER  64   3.897 -15.914   3.273
  445   2HB   SER  64          2HB       SER  64   3.524 -15.947   4.985
  446    HG   SER  64           HG       SER  64   3.948 -18.042   4.823
  447    H    VAL  65           H        VAL  65   1.712 -14.379   5.765
  448    HA   VAL  65           HA       VAL  65   0.983 -12.054   4.178
  449    HB   VAL  65           HB       VAL  65   1.204 -12.450   7.169
  450   1HG1  VAL  65          1HG1      VAL  65   0.449 -10.138   5.438
  451   2HG1  VAL  65          2HG1      VAL  65  -0.506 -10.407   6.916
  452   3HG1  VAL  65          3HG1      VAL  65   1.255 -10.170   7.025
  453   1HG2  VAL  65          1HG2      VAL  65  -0.861 -13.206   5.233
  454   2HG2  VAL  65          2HG2      VAL  65  -0.649 -13.690   6.933
  455   3HG2  VAL  65          3HG2      VAL  65  -1.478 -12.166   6.538
  456    H    ASN  66           H        ASN  66   3.589 -13.103   3.668
  457    HA   ASN  66           HA       ASN  66   5.172 -10.980   4.889
  458   1HB   ASN  66          1HB       ASN  66   6.033 -13.807   4.084
  459   2HB   ASN  66          2HB       ASN  66   7.166 -12.550   4.538
  460   2HD2  ASN  66          1HD2      ASN  66   7.064 -11.641   6.652
  461   1HD2  ASN  66          2HD2      ASN  66   6.453 -12.550   7.993
  462    H    SER  67           H        SER  67   3.498 -11.386   2.282
  463    HA   SER  67           HA       SER  67   5.681 -11.106   0.377
  464   1HB   SER  67          1HB       SER  67   3.009 -12.336   0.275
  465   2HB   SER  67          2HB       SER  67   3.273 -11.239  -1.066
  466    HG   SER  67           HG       SER  67   4.660 -13.644  -0.390
  467    H    TRP  68           H        TRP  68   6.231  -8.959   0.148
  468    HA   TRP  68           HA       TRP  68   4.831  -6.784   0.897
  469   1HB   TRP  68          1HB       TRP  68   7.117  -6.653   0.205
  470   2HB   TRP  68          2HB       TRP  68   6.717  -7.124  -1.435
  471    HD1  TRP  68           HD1      TRP  68   6.891  -5.033  -2.976
  472    HE1  TRP  68           HE1      TRP  68   6.325  -2.456  -2.901
  473    HE3  TRP  68           HE3      TRP  68   5.174  -5.013   1.810
  474    HZ2  TRP  68           HZ2      TRP  68   5.246  -0.738  -0.895
  475    HZ3  TRP  68           HZ3      TRP  68   4.383  -2.844   2.751
  476    HH2  TRP  68           HH2      TRP  68   4.400  -0.756   1.481
  477    H    TYR  69           H        TYR  69   4.387  -8.852  -1.898
  478    HA   TYR  69           HA       TYR  69   2.371  -7.040  -3.072
  479   1HB   TYR  69          1HB       TYR  69   4.064  -8.106  -4.521
  480   2HB   TYR  69          2HB       TYR  69   3.491  -9.703  -4.009
  481    HD1  TYR  69           HD1      TYR  69   2.579  -6.627  -5.882
  482    HD2  TYR  69           HD2      TYR  69   1.540 -10.692  -4.964
  483    HE1  TYR  69           HE1      TYR  69   0.900  -6.609  -7.706
  484    HE2  TYR  69           HE2      TYR  69  -0.140 -10.675  -6.788
  485    HH   TYR  69           HH       TYR  69  -1.536  -8.853  -8.068
  486    H    LYS  70           H        LYS  70   1.571  -7.945  -0.518
  487    HA   LYS  70           HA       LYS  70  -0.621  -9.693  -1.327
  488   1HB   LYS  70          1HB       LYS  70   1.268 -11.023  -0.244
  489   2HB   LYS  70          2HB       LYS  70   0.913 -10.160   1.238
  490   1HG   LYS  70          1HG       LYS  70  -0.535 -11.920   1.573
  491   2HG   LYS  70          2HG       LYS  70  -1.614 -10.926   0.613
  492   1HD   LYS  70          1HD       LYS  70  -1.357 -12.240  -1.307
  493   2HD   LYS  70          2HD       LYS  70   0.257 -12.763  -0.870
  494   1HE   LYS  70          1HE       LYS  70  -2.194 -13.634   0.719
  495   2HE   LYS  70          2HE       LYS  70  -1.649 -14.518  -0.693
  496   1HZ   LYS  70          1HZ       LYS  70   0.603 -14.417   0.539
  497   2HZ   LYS  70          2HZ       LYS  70  -0.320 -14.187   1.867
  498   3HZ   LYS  70          3HZ       LYS  70  -0.508 -15.535   0.964
  499    H    VAL  71           H        VAL  71   0.764  -7.865   1.497
  500    HA   VAL  71           HA       VAL  71  -1.805  -7.183   2.461
  501    HB   VAL  71           HB       VAL  71  -0.684  -6.129   4.166
  502   1HG1  VAL  71          1HG1      VAL  71   0.181  -8.586   3.489
  503   2HG1  VAL  71          2HG1      VAL  71   1.728  -7.709   3.417
  504   3HG1  VAL  71          3HG1      VAL  71   0.773  -7.709   4.919
  505   1HG2  VAL  71          1HG2      VAL  71   1.436  -5.448   2.122
  506   2HG2  VAL  71          2HG2      VAL  71   0.432  -4.353   3.103
  507   3HG2  VAL  71          3HG2      VAL  71   1.734  -5.294   3.870
  508    H    VAL  72           H        VAL  72  -0.121  -6.201  -0.295
  509    HA   VAL  72           HA       VAL  72  -1.046  -3.451  -0.176
  510    HB   VAL  72           HB       VAL  72   0.711  -5.070  -1.995
  511   1HG1  VAL  72          1HG1      VAL  72  -0.844  -2.621  -2.686
  512   2HG1  VAL  72          2HG1      VAL  72   0.859  -2.680  -3.201
  513   3HG1  VAL  72          3HG1      VAL  72  -0.273  -3.951  -3.722
  514   1HG2  VAL  72          1HG2      VAL  72   1.021  -2.690  -0.181
  515   2HG2  VAL  72          2HG2      VAL  72   1.991  -4.180  -0.277
  516   3HG2  VAL  72          3HG2      VAL  72   2.150  -2.932  -1.536
  517    H    HIS  73           H        HIS  73  -1.567  -6.489  -1.906
  518    HA   HIS  73           HA       HIS  73  -4.025  -5.326  -3.165
  519   1HB   HIS  73          1HB       HIS  73  -2.395  -7.793  -3.983
  520   2HB   HIS  73          2HB       HIS  73  -3.795  -7.055  -4.873
  521    HD1  HIS  73           HD1      HIS  73  -0.159  -6.706  -4.243
  522    HD2  HIS  73           HD2      HIS  73  -3.165  -4.717  -6.360
  523    HE1  HIS  73           HE1      HIS  73   1.043  -5.069  -5.831
  524    H    ASP  74           H        ASP  74  -3.482  -6.542  -0.328
  525    HA   ASP  74           HA       ASP  74  -4.988  -8.941  -0.384
  526   1HB   ASP  74          1HB       ASP  74  -3.579  -7.259   1.611
  527   2HB   ASP  74          2HB       ASP  74  -5.027  -8.010   2.250
  528    H    ALA  75           H        ALA  75  -6.857  -7.793  -1.618
  529    HA   ALA  75           HA       ALA  75  -8.360  -5.740  -0.796
  530   1HB   ALA  75          2HB       ALA  75  -9.631  -8.366  -1.617
  531   2HB   ALA  75          1HB       ALA  75  -8.656  -7.404  -2.754
  532   3HB   ALA  75          3HB       ALA  75 -10.129  -6.709  -2.035
  533    H    LYS  76           H        LYS  76  -8.086  -8.939   0.759
  534    HA   LYS  76           HA       LYS  76  -9.969  -7.989   2.804
  535   1HB   LYS  76          1HB       LYS  76 -10.506 -10.091   1.382
  536   2HB   LYS  76          2HB       LYS  76  -9.268 -10.884   2.335
  537   1HG   LYS  76          1HG       LYS  76 -11.487 -11.216   3.367
  538   2HG   LYS  76          2HG       LYS  76 -10.456 -10.280   4.431
  539   1HD   LYS  76          1HD       LYS  76 -12.018  -8.614   2.533
  540   2HD   LYS  76          2HD       LYS  76 -13.019  -9.552   3.623
  541   1HE   LYS  76          1HE       LYS  76 -10.840  -8.438   5.161
  542   2HE   LYS  76          2HE       LYS  76 -11.528  -7.149   4.194
  543   1HZ   LYS  76          1HZ       LYS  76 -13.709  -7.815   5.031
  544   2HZ   LYS  76          2HZ       LYS  76 -13.012  -8.933   5.996
  545   3HZ   LYS  76          3HZ       LYS  76 -12.707  -7.346   6.232
  546    H    GLY  77           H        GLY  77  -8.692  -6.967   4.297
  547   1HA   GLY  77          2HA       GLY  77  -6.858  -6.590   5.604
  548   2HA   GLY  77          1HA       GLY  77  -6.074  -8.012   4.947
  549    H    GLY  78           H        GLY  78  -7.002  -6.810   7.797
  550   1HA   GLY  78          2HA       GLY  78  -7.174  -9.368   9.058
  551   2HA   GLY  78          1HA       GLY  78  -8.721  -8.545   9.053
  552    H    ALA  79           H        ALA  79  -5.467  -8.634  10.381
  553    HA   ALA  79           HA       ALA  79  -6.142  -7.266  12.677
  554   1HB   ALA  79          2HB       ALA  79  -3.403  -6.915  12.405
  555   2HB   ALA  79          3HB       ALA  79  -4.203  -8.355  13.080
  556   3HB   ALA  79          1HB       ALA  79  -3.730  -8.322  11.364
  557    H    LYS  80           H        LYS  80  -4.926  -6.096   9.521
  558    HA   LYS  80           HA       LYS  80  -5.707  -3.427  10.285
  559   1HB   LYS  80          1HB       LYS  80  -2.993  -4.214  10.553
  560   2HB   LYS  80          2HB       LYS  80  -3.081  -3.205   9.123
  561   1HG   LYS  80          1HG       LYS  80  -3.693  -1.317  10.313
  562   2HG   LYS  80          2HG       LYS  80  -4.652  -2.221  11.468
  563   1HD   LYS  80          1HD       LYS  80  -2.163  -3.157  12.116
  564   2HD   LYS  80          2HD       LYS  80  -1.730  -1.566  11.524
  565   1HE   LYS  80          1HE       LYS  80  -2.160  -1.459  13.946
  566   2HE   LYS  80          2HE       LYS  80  -3.371  -0.524  13.092
  567   1HZ   LYS  80          1HZ       LYS  80  -3.971  -3.309  13.583
  568   2HZ   LYS  80          2HZ       LYS  80  -4.001  -2.308  14.873
  569   3HZ   LYS  80          3HZ       LYS  80  -4.966  -2.015  13.588
  570    HA   PRO  81           HA       PRO  81  -7.110  -3.328   6.166
  571   1HB   PRO  81          1HB       PRO  81  -6.724  -0.609   5.652
  572   2HB   PRO  81          2HB       PRO  81  -8.064  -1.286   6.634
  573   1HG   PRO  81          1HG       PRO  81  -5.397  -0.032   7.745
  574   2HG   PRO  81          2HG       PRO  81  -7.145   0.158   8.100
  575   1HD   PRO  81          1HD       PRO  81  -5.481  -1.590   9.469
  576   2HD   PRO  81          2HD       PRO  81  -7.218  -1.925   9.199
  577    H    THR  82           H        THR  82  -6.332  -2.886   3.885
  578    HA   THR  82           HA       THR  82  -3.393  -2.967   3.838
  579    HB   THR  82           HB       THR  82  -3.951  -4.010   1.503
  580    HG1  THR  82           HG1      THR  82  -6.149  -4.372   1.221
  581   1HG2  THR  82          1HG2      THR  82  -4.408  -5.225   4.214
  582   2HG2  THR  82          2HG2      THR  82  -5.081  -6.116   2.828
  583   3HG2  THR  82          3HG2      THR  82  -3.337  -5.768   2.901
  584    H    CYS  83           H        CYS  83  -4.879  -2.456   0.797
  585    HA   CYS  83           HA       CYS  83  -4.573   0.430   1.046
  586   1HB   CYS  83          1HB       CYS  83  -3.228  -1.204  -1.116
  587   2HB   CYS  83          2HB       CYS  83  -3.261   0.545  -1.013
  588    H    ILE  84           H        ILE  84  -5.487  -2.463  -0.931
  589    HA   ILE  84           HA       ILE  84  -7.272  -0.912  -2.556
  590    HB   ILE  84           HB       ILE  84  -6.195  -3.642  -2.481
  591   1HG1  ILE  84          1HG1      ILE  84  -7.158  -2.078  -4.873
  592   2HG1  ILE  84          2HG1      ILE  84  -5.666  -1.653  -4.058
  593   1HG2  ILE  84          1HG2      ILE  84  -8.547  -4.196  -2.175
  594   2HG2  ILE  84          2HG2      ILE  84  -8.989  -3.158  -3.552
  595   3HG2  ILE  84          3HG2      ILE  84  -8.008  -4.619  -3.818
  596   1HD1  ILE  84          1HD1      ILE  84  -5.534  -4.463  -4.336
  597   2HD1  ILE  84          2HD1      ILE  84  -6.201  -3.874  -5.878
  598   3HD1  ILE  84          3HD1      ILE  84  -4.640  -3.254  -5.289
  599    H    SER  85           H        SER  85  -7.366  -2.707   0.470
  600    HA   SER  85           HA       SER  85 -10.072  -3.306   0.473
  601   1HB   SER  85          1HB       SER  85  -9.783  -3.496   2.951
  602   2HB   SER  85          2HB       SER  85  -8.535  -4.340   2.056
  603    HG   SER  85           HG       SER  85  -7.267  -2.228   2.327
  604    H    CYS  86           H        CYS  86  -8.618  -0.913   2.768
  605    HA   CYS  86           HA       CYS  86 -10.760   0.486   3.405
  606   1HB   CYS  86          1HB       CYS  86  -8.527   0.961   4.290
  607   2HB   CYS  86          2HB       CYS  86  -8.041   1.679   2.766
  608    H    HIS  87           H        HIS  87  -8.795   0.896   0.474
  609    HA   HIS  87           HA       HIS  87 -10.191   3.089  -0.685
  610   1HB   HIS  87          1HB       HIS  87  -8.332   0.896  -1.632
  611   2HB   HIS  87          2HB       HIS  87  -9.213   1.889  -2.871
  612    HD1  HIS  87           HD1      HIS  87  -7.600   3.431  -3.752
  613    HD2  HIS  87           HD2      HIS  87  -7.228   3.141   0.401
  614    HE1  HIS  87           HE1      HIS  87  -5.805   5.149  -3.069
  615    H    LYS  88           H        LYS  88 -10.470  -0.452  -1.609
  616    HA   LYS  88           HA       LYS  88 -12.692  -0.120  -3.206
  617   1HB   LYS  88          1HB       LYS  88 -11.212  -2.126  -3.080
  618   2HB   LYS  88          2HB       LYS  88 -11.956  -2.554  -1.552
  619   1HG   LYS  88          1HG       LYS  88 -13.793  -2.003  -3.875
  620   2HG   LYS  88          2HG       LYS  88 -12.873  -3.493  -3.916
  621   1HD   LYS  88          1HD       LYS  88 -13.868  -3.318  -1.261
  622   2HD   LYS  88          2HD       LYS  88 -15.200  -2.806  -2.278
  623   1HE   LYS  88          1HE       LYS  88 -14.917  -4.882  -3.669
  624   2HE   LYS  88          2HE       LYS  88 -13.613  -5.397  -2.618
  625   1HZ   LYS  88          1HZ       LYS  88 -16.226  -4.744  -1.493
  626   2HZ   LYS  88          2HZ       LYS  88 -15.956  -6.215  -2.150
  627   3HZ   LYS  88          3HZ       LYS  88 -15.062  -5.711  -0.880
  628    H    ASP  89           H        ASP  89 -12.367   0.199   0.230
  629    HA   ASP  89           HA       ASP  89 -15.230  -0.181   0.542
  630   1HB   ASP  89          1HB       ASP  89 -13.045  -0.934   2.133
  631   2HB   ASP  89          2HB       ASP  89 -13.656   0.487   2.956
  632    H    LYS  90           H        LYS  90 -13.837   2.164  -0.793
  633    HA   LYS  90           HA       LYS  90 -15.071   4.235   0.817
  634   1HB   LYS  90          1HB       LYS  90 -12.176   3.874   0.605
  635   2HB   LYS  90          2HB       LYS  90 -12.691   5.449   0.036
  636   1HG   LYS  90          1HG       LYS  90 -13.270   6.152   2.133
  637   2HG   LYS  90          2HG       LYS  90 -14.084   4.648   2.513
  638   1HD   LYS  90          1HD       LYS  90 -12.042   3.576   3.186
  639   2HD   LYS  90          2HD       LYS  90 -11.048   4.800   2.421
  640   1HE   LYS  90          1HE       LYS  90 -12.701   5.051   4.962
  641   2HE   LYS  90          2HE       LYS  90 -10.976   5.295   4.768
  642   1HZ   LYS  90          1HZ       LYS  90 -11.753   7.127   3.152
  643   2HZ   LYS  90          2HZ       LYS  90 -13.156   7.049   3.985
  644   3HZ   LYS  90          3HZ       LYS  90 -11.765   7.411   4.760
  645    H    ALA  91           H        ALA  91 -16.114   3.050  -1.452
  646    HA   ALA  91           HA       ALA  91 -16.195   5.306  -3.204
  647   1HB   ALA  91          1HB       ALA  91 -14.704   2.796  -3.947
  648   2HB   ALA  91          3HB       ALA  91 -14.322   4.494  -4.320
  649   3HB   ALA  91          2HB       ALA  91 -15.628   3.663  -5.198
  650    H    GLY  92           H        GLY  92 -18.015   3.931  -1.425
  651   1HA   GLY  92          2HA       GLY  92 -20.353   3.873  -2.570
  652   2HA   GLY  92          1HA       GLY  92 -19.909   2.617  -1.431
  653    H    ASP  93           H        ASP  93 -20.659   3.382  -4.753
  654    HA   ASP  93           HA       ASP  93 -19.666   0.875  -5.720
  655   1HB   ASP  93          1HB       ASP  93 -21.770  -0.093  -6.278
  656   2HB   ASP  93          2HB       ASP  93 -21.959   0.456  -4.625
  657    H    ASP  94           H        ASP  94 -18.955   3.531  -6.397
  658    HA   ASP  94           HA       ASP  94 -20.548   4.242  -8.687
  659   1HB   ASP  94          1HB       ASP  94 -19.575   5.910  -6.976
  660   2HB   ASP  94          2HB       ASP  94 -17.999   5.565  -7.660
  661    H    LYS  95           H        LYS  95 -18.931   5.111 -10.631
  662    HA   LYS  95           HA       LYS  95 -17.241   2.804 -11.233
  663   1HB   LYS  95          1HB       LYS  95 -18.715   4.820 -12.921
  664   2HB   LYS  95          2HB       LYS  95 -17.397   3.882 -13.594
  665   1HG   LYS  95          1HG       LYS  95 -18.524   1.809 -13.249
  666   2HG   LYS  95          2HG       LYS  95 -19.621   2.492 -12.066
  667   1HD   LYS  95          1HD       LYS  95 -20.958   2.285 -14.017
  668   2HD   LYS  95          2HD       LYS  95 -20.526   3.983 -13.989
  669   1HE   LYS  95          1HE       LYS  95 -19.056   3.793 -15.798
  670   2HE   LYS  95          2HE       LYS  95 -18.661   2.122 -15.447
  671   1HZ   LYS  95          1HZ       LYS  95 -21.172   1.823 -16.029
  672   2HZ   LYS  95          2HZ       LYS  95 -20.930   3.191 -16.889
  673   3HZ   LYS  95          3HZ       LYS  95 -20.033   1.862 -17.199
  674    H    GLU  96           H        GLU  96 -17.225   6.393 -11.836
  675    HA   GLU  96           HA       GLU  96 -14.555   6.546 -12.367
  676   1HB   GLU  96          1HB       GLU  96 -16.249   8.354 -12.739
  677   2HB   GLU  96          2HB       GLU  96 -16.294   8.656 -11.014
  678   1HG   GLU  96          1HG       GLU  96 -13.670   8.934 -11.253
  679   2HG   GLU  96          2HG       GLU  96 -14.019   9.149 -12.957
  680    H    LEU  97           H        LEU  97 -16.251   6.258  -9.268
  681    HA   LEU  97           HA       LEU  97 -13.798   6.862  -7.818
  682   1HB   LEU  97          1HB       LEU  97 -16.489   7.363  -7.344
  683   2HB   LEU  97          2HB       LEU  97 -16.113   6.044  -6.253
  684    HG   LEU  97           HG       LEU  97 -14.426   8.548  -6.385
  685   1HD1  LEU  97          1HD1      LEU  97 -17.127   8.361  -5.485
  686   2HD1  LEU  97          2HD1      LEU  97 -16.074   8.568  -4.065
  687   3HD1  LEU  97          3HD1      LEU  97 -16.009   9.744  -5.400
  688   1HD2  LEU  97          1HD2      LEU  97 -13.783   6.220  -5.256
  689   2HD2  LEU  97          2HD2      LEU  97 -13.333   7.788  -4.543
  690   3HD2  LEU  97          3HD2      LEU  97 -14.747   6.901  -3.924
  691    H    LYS  98           H        LYS  98 -14.742   4.344  -9.584
  692    HA   LYS  98           HA       LYS  98 -13.987   2.372  -7.542
  693   1HB   LYS  98          1HB       LYS  98 -16.067   1.661  -8.215
  694   2HB   LYS  98          2HB       LYS  98 -15.899   2.299  -9.837
  695   1HG   LYS  98          1HG       LYS  98 -15.801  -0.183  -9.836
  696   2HG   LYS  98          2HG       LYS  98 -14.302   0.508 -10.424
  697   1HD   LYS  98          1HD       LYS  98 -13.212  -0.722  -8.860
  698   2HD   LYS  98          2HD       LYS  98 -13.907   0.326  -7.640
  699   1HE   LYS  98          1HE       LYS  98 -14.910  -1.554  -6.824
  700   2HE   LYS  98          2HE       LYS  98 -16.024  -1.396  -8.167
  701   1HZ   LYS  98          1HZ       LYS  98 -14.259  -2.684  -9.439
  702   2HZ   LYS  98          2HZ       LYS  98 -13.659  -3.094  -7.976
  703   3HZ   LYS  98          3HZ       LYS  98 -15.187  -3.508  -8.377
  704    H    LYS  99           H        LYS  99 -13.186   3.960 -10.573
  705    HA   LYS  99           HA       LYS  99 -11.199   1.951 -11.219
  706   1HB   LYS  99          1HB       LYS  99 -12.089   4.496 -12.600
  707   2HB   LYS  99          2HB       LYS  99 -10.788   3.478 -13.183
  708   1HG   LYS  99          1HG       LYS  99 -12.216   1.788 -13.860
  709   2HG   LYS  99          2HG       LYS  99 -13.326   2.041 -12.528
  710   1HD   LYS  99          1HD       LYS  99 -14.194   2.670 -14.870
  711   2HD   LYS  99          2HD       LYS  99 -14.413   3.872 -13.614
  712   1HE   LYS  99          1HE       LYS  99 -11.800   4.190 -14.912
  713   2HE   LYS  99          2HE       LYS  99 -13.091   4.227 -16.097
  714   1HZ   LYS  99          1HZ       LYS  99 -13.265   5.793 -13.632
  715   2HZ   LYS  99          2HZ       LYS  99 -12.494   6.371 -14.950
  716   3HZ   LYS  99          3HZ       LYS  99 -14.084   6.007 -15.028
  717    H    LYS 100           H        LYS 100 -11.354   5.475 -10.367
  718    HA   LYS 100           HA       LYS 100  -8.732   6.080 -10.340
  719   1HB   LYS 100          1HB       LYS 100 -10.307   7.777  -9.891
  720   2HB   LYS 100          2HB       LYS 100 -10.986   6.923  -8.520
  721   1HG   LYS 100          1HG       LYS 100  -9.186   7.459  -7.106
  722   2HG   LYS 100          2HG       LYS 100  -8.054   7.639  -8.433
  723   1HD   LYS 100          1HD       LYS 100  -8.947   9.786  -9.054
  724   2HD   LYS 100          2HD       LYS 100 -10.394   9.555  -8.092
  725   1HE   LYS 100          1HE       LYS 100  -8.462  11.080  -7.151
  726   2HE   LYS 100          2HE       LYS 100  -9.289   9.986  -6.060
  727   1HZ   LYS 100          1HZ       LYS 100  -7.517   8.389  -6.442
  728   2HZ   LYS 100          2HZ       LYS 100  -6.738   9.444  -7.415
  729   3HZ   LYS 100          3HZ       LYS 100  -6.933   9.786  -5.830
  730    H    LEU 101           H        LEU 101 -10.426   3.828  -8.225
  731    HA   LEU 101           HA       LEU 101  -7.862   3.325  -6.898
  732   1HB   LEU 101          1HB       LEU 101  -9.456   2.685  -4.905
  733   2HB   LEU 101          2HB       LEU 101  -8.828   4.306  -5.120
  734    HG   LEU 101           HG       LEU 101 -11.177   4.363  -4.511
  735   1HD1  LEU 101          1HD1      LEU 101 -10.009   5.772  -6.573
  736   2HD1  LEU 101          2HD1      LEU 101 -11.536   5.206  -7.291
  737   3HD1  LEU 101          3HD1      LEU 101 -11.559   6.155  -5.785
  738   1HD2  LEU 101          1HD2      LEU 101 -11.453   2.076  -5.990
  739   2HD2  LEU 101          2HD2      LEU 101 -12.792   3.066  -5.361
  740   3HD2  LEU 101          3HD2      LEU 101 -12.230   3.288  -7.036
  741    H    THR 102           H        THR 102  -7.242   1.206  -6.912
  742    HA   THR 102           HA       THR 102  -7.332  -1.002  -7.207
  743    HB   THR 102           HB       THR 102  -9.264  -2.137  -6.497
  744    HG1  THR 102           HG1      THR 102 -10.886  -1.735  -7.954
  745   1HG2  THR 102          1HG2      THR 102  -8.872   0.286  -5.178
  746   2HG2  THR 102          2HG2      THR 102 -10.573   0.408  -5.688
  747   3HG2  THR 102          3HG2      THR 102 -10.042  -0.958  -4.677
  748    H    GLY 103           H        GLY 103  -8.164   1.315  -9.359
  749   1HA   GLY 103          2HA       GLY 103  -8.747   1.330 -11.569
  750   2HA   GLY 103          1HA       GLY 103  -9.120  -0.381 -11.502
  751    H    CYS 104           H        CYS 104  -7.466  -1.964 -11.853
  752    HA   CYS 104           HA       CYS 104  -4.838  -1.753 -11.855
  753   1HB   CYS 104          1HB       CYS 104  -6.432  -3.046 -14.078
  754   2HB   CYS 104          2HB       CYS 104  -4.749  -3.368 -13.714
  755    H    LYS 105           H        LYS 105  -6.877  -0.921 -14.763
  756    HA   LYS 105           HA       LYS 105  -4.715   0.897 -15.573
  757   1HB   LYS 105          1HB       LYS 105  -4.919  -0.951 -17.122
  758   2HB   LYS 105          2HB       LYS 105  -6.650  -0.713 -17.261
  759   1HG   LYS 105          1HG       LYS 105  -5.908   1.774 -17.964
  760   2HG   LYS 105          2HG       LYS 105  -4.405   0.971 -18.374
  761   1HD   LYS 105          1HD       LYS 105  -5.566   0.754 -20.390
  762   2HD   LYS 105          2HD       LYS 105  -5.979  -0.764 -19.620
  763   1HE   LYS 105          1HE       LYS 105  -8.023   0.245 -20.513
  764   2HE   LYS 105          2HE       LYS 105  -8.107   0.261 -18.763
  765   1HZ   LYS 105          1HZ       LYS 105  -6.858   2.593 -19.549
  766   2HZ   LYS 105          2HZ       LYS 105  -8.170   2.426 -20.506
  767   3HZ   LYS 105          3HZ       LYS 105  -8.340   2.430 -18.882
  768    H    GLY 106           H        GLY 106  -5.347   2.822 -14.644
  769   1HA   GLY 106          2HA       GLY 106  -8.065   3.751 -15.358
  770   2HA   GLY 106          1HA       GLY 106  -6.639   4.769 -15.386
  771    H    SER 107           H        SER 107  -5.347   3.798 -12.976
  772    HA   SER 107           HA       SER 107  -7.097   5.104 -11.089
  773   1HB   SER 107          1HB       SER 107  -7.160   3.388  -9.513
  774   2HB   SER 107          2HB       SER 107  -7.260   2.472 -11.004
  775    HG   SER 107           HG       SER 107  -5.167   1.783 -10.794
  776    H    ALA 108           H        ALA 108  -5.894   5.975  -9.206
  777    HA   ALA 108           HA       ALA 108  -3.621   7.267  -9.761
  778   1HB   ALA 108          3HB       ALA 108  -3.509   7.743  -7.481
  779   2HB   ALA 108          1HB       ALA 108  -5.198   7.205  -7.650
  780   3HB   ALA 108          2HB       ALA 108  -3.968   6.090  -7.007
  781    H    CYS 109           H        CYS 109  -3.966   3.822  -8.976
  782    HA   CYS 109           HA       CYS 109  -1.058   3.584  -8.909
  783   1HB   CYS 109          1HB       CYS 109  -3.144   1.498  -8.191
  784   2HB   CYS 109          2HB       CYS 109  -1.411   1.363  -7.969
  785    H    HIS 110           H        HIS 110  -0.009   2.552 -10.515
  786    HA   HIS 110           HA       HIS 110   0.426   1.797 -12.639
  787   1HB   HIS 110          1HB       HIS 110  -2.015   0.002 -12.372
  788   2HB   HIS 110          2HB       HIS 110  -0.383  -0.345 -13.089
  789    HD1  HIS 110           HD1      HIS 110   1.224   0.573 -10.564
  790    HD2  HIS 110           HD2      HIS 110  -1.994  -2.094 -10.553
  791    HE1  HIS 110           HE1      HIS 110   1.506  -0.885  -8.457
  792    HA   PRO 111           HA       PRO 111  -2.673   4.336 -14.783
  793   1HB   PRO 111          1HB       PRO 111  -1.008   6.318 -15.603
  794   2HB   PRO 111          2HB       PRO 111  -1.572   6.216 -13.903
  795   1HG   PRO 111          1HG       PRO 111   1.279   5.495 -14.815
  796   2HG   PRO 111          2HG       PRO 111   0.429   6.160 -13.382
  797   1HD   PRO 111          1HD       PRO 111   1.149   3.363 -14.028
  798   2HD   PRO 111          2HD       PRO 111   0.470   4.018 -12.508
  799    H    SER 112           H        SER 112  -3.114   4.285 -17.053
  800    HA   SER 112           HA       SER 112  -2.968   3.448 -19.058
  801   1HB   SER 112          1HB       SER 112  -0.600   5.089 -18.645
  802   2HB   SER 112          2HB       SER 112  -0.237   3.812 -19.788
  803    HG   SER 112           HG       SER 112  -2.652   5.353 -20.056

  No H/Q in entry =         803
  Start of MODEL    9
    1    H1   VAL   1           H1       VAL   1   6.020  10.836  14.332
    2    H2   VAL   1           H2       VAL   1   6.592  11.343  15.802
    3    H3   VAL   1           H3       VAL   1   5.177  11.962  15.206
    4    HA   VAL   1           HA       VAL   1   6.807  13.566  14.956
    5    HB   VAL   1           HB       VAL   1   8.910  12.931  14.779
    6   1HG1  VAL   1          1HG1      VAL   1   8.130  10.707  15.597
    7   2HG1  VAL   1          2HG1      VAL   1   8.020  10.163  13.906
    8   3HG1  VAL   1          3HG1      VAL   1   9.597  10.618  14.592
    9   1HG2  VAL   1          1HG2      VAL   1   8.481  13.479  12.356
   10   2HG2  VAL   1          2HG2      VAL   1   9.859  12.390  12.648
   11   3HG2  VAL   1          3HG2      VAL   1   8.313  11.732  12.058
   12    H    ASP   2           H        ASP   2   6.452  15.050  13.303
   13    HA   ASP   2           HA       ASP   2   4.409  14.828  11.686
   14   1HB   ASP   2          1HB       ASP   2   7.051  16.133  10.877
   15   2HB   ASP   2          2HB       ASP   2   5.485  16.524  10.196
   16    H    VAL   3           H        VAL   3   4.212  14.497   9.238
   17    HA   VAL   3           HA       VAL   3   6.075  12.402   8.353
   18    HB   VAL   3           HB       VAL   3   3.437  12.572   7.070
   19   1HG1  VAL   3          1HG1      VAL   3   5.252  10.423   8.164
   20   2HG1  VAL   3          2HG1      VAL   3   3.579  10.057   7.679
   21   3HG1  VAL   3          3HG1      VAL   3   4.729  10.710   6.487
   22   1HG2  VAL   3          1HG2      VAL   3   3.678  11.951  10.026
   23   2HG2  VAL   3          2HG2      VAL   3   2.606  13.129   9.231
   24   3HG2  VAL   3          3HG2      VAL   3   2.325  11.384   9.017
   25    HA   PRO   4           HA       PRO   4   6.640  15.879   5.462
   26   1HB   PRO   4          1HB       PRO   4   9.286  16.206   5.683
   27   2HB   PRO   4          2HB       PRO   4   8.222  16.680   7.047
   28   1HG   PRO   4          1HG       PRO   4   9.650  14.012   6.658
   29   2HG   PRO   4          2HG       PRO   4   9.765  14.990   8.157
   30   1HD   PRO   4          1HD       PRO   4   7.999  12.904   7.898
   31   2HD   PRO   4          2HD       PRO   4   7.563  14.386   8.802
   32    H    ALA   5           H        ALA   5   8.490  15.877   3.544
   33    HA   ALA   5           HA       ALA   5   9.539  14.749   1.914
   34   1HB   ALA   5          2HB       ALA   5   8.720  12.032   2.856
   35   2HB   ALA   5          3HB       ALA   5  10.280  12.596   2.213
   36   3HB   ALA   5          1HB       ALA   5   9.832  12.951   3.898
   37    H    ASP   6           H        ASP   6   8.867  13.477  -0.071
   38    HA   ASP   6           HA       ASP   6   6.199  12.634  -0.257
   39   1HB   ASP   6          1HB       ASP   6   6.725  15.038  -2.004
   40   2HB   ASP   6          2HB       ASP   6   5.189  14.371  -1.485
   41    H    GLY   7           H        GLY   7   5.697  12.365  -2.826
   42   1HA   GLY   7          2HA       GLY   7   7.757  12.427  -4.705
   43   2HA   GLY   7          1HA       GLY   7   6.311  11.440  -4.779
   44    H    ALA   8           H        ALA   8   6.752   9.901  -2.332
   45    HA   ALA   8           HA       ALA   8   9.330   8.651  -2.637
   46   1HB   ALA   8          1HB       ALA   8   7.855   9.102  -0.481
   47   2HB   ALA   8          2HB       ALA   8   7.097   7.558  -0.940
   48   3HB   ALA   8          3HB       ALA   8   8.845   7.628  -0.609
   49    H    LYS   9           H        LYS   9   9.120   7.966  -4.893
   50    HA   LYS   9           HA       LYS   9   7.044   6.361  -5.805
   51   1HB   LYS   9          1HB       LYS   9   8.225   6.289  -7.734
   52   2HB   LYS   9          2HB       LYS   9   9.119   7.586  -6.967
   53   1HG   LYS   9          1HG       LYS   9   9.892   4.633  -6.818
   54   2HG   LYS   9          2HG       LYS   9  10.599   5.786  -7.932
   55   1HD   LYS   9          1HD       LYS   9  10.596   6.488  -4.998
   56   2HD   LYS   9          2HD       LYS   9  11.718   5.256  -5.541
   57   1HE   LYS   9          1HE       LYS   9  11.495   8.034  -6.795
   58   2HE   LYS   9          2HE       LYS   9  12.676   7.602  -5.574
   59   1HZ   LYS   9          1HZ       LYS   9  12.787   5.681  -7.557
   60   2HZ   LYS   9          2HZ       LYS   9  12.787   7.131  -8.309
   61   3HZ   LYS   9          3HZ       LYS   9  13.919   6.797  -7.180
   62    H    ILE  10           H        ILE  10   6.411   4.346  -5.269
   63    HA   ILE  10           HA       ILE  10   8.318   2.728  -3.758
   64    HB   ILE  10           HB       ILE  10   5.325   2.473  -4.071
   65   1HG1  ILE  10          1HG1      ILE  10   6.927   3.521  -1.720
   66   2HG1  ILE  10          2HG1      ILE  10   6.073   4.529  -2.871
   67   1HG2  ILE  10          1HG2      ILE  10   6.794   0.385  -3.573
   68   2HG2  ILE  10          2HG2      ILE  10   6.968   1.111  -1.957
   69   3HG2  ILE  10          3HG2      ILE  10   5.351   0.705  -2.580
   70   1HD1  ILE  10          1HD1      ILE  10   3.989   3.020  -2.277
   71   2HD1  ILE  10          2HD1      ILE  10   4.937   2.608  -0.828
   72   3HD1  ILE  10          3HD1      ILE  10   4.490   4.301  -1.147
   73    H    ASP  11           H        ASP  11   9.493   1.288  -4.892
   74    HA   ASP  11           HA       ASP  11   8.111  -0.368  -6.763
   75   1HB   ASP  11          1HB       ASP  11   8.818   1.542  -8.188
   76   2HB   ASP  11          2HB       ASP  11  10.467   1.381  -7.615
   77    H    PHE  12           H        PHE  12   8.849  -1.652  -4.723
   78    HA   PHE  12           HA       PHE  12  11.676  -2.087  -4.480
   79   1HB   PHE  12          1HB       PHE  12   9.097  -3.230  -3.270
   80   2HB   PHE  12          2HB       PHE  12  10.664  -3.877  -2.826
   81    HD1  PHE  12           HD1      PHE  12  12.363  -2.286  -1.783
   82    HD2  PHE  12           HD2      PHE  12   8.258  -1.305  -2.221
   83    HE1  PHE  12           HE1      PHE  12  12.601  -0.506  -0.030
   84    HE2  PHE  12           HE2      PHE  12   8.496   0.475  -0.468
   85    HZ   PHE  12           HZ       PHE  12  10.665   0.854   0.606
   86    H    ILE  13           H        ILE  13   9.699  -2.950  -6.894
   87    HA   ILE  13           HA       ILE  13  10.795  -5.672  -7.045
   88    HB   ILE  13           HB       ILE  13   8.126  -4.546  -7.730
   89   1HG1  ILE  13          1HG1      ILE  13   8.033  -7.289  -7.090
   90   2HG1  ILE  13          2HG1      ILE  13   9.247  -6.604  -6.027
   91   1HG2  ILE  13          1HG2      ILE  13   9.496  -6.752  -9.282
   92   2HG2  ILE  13          2HG2      ILE  13   7.731  -6.525  -9.236
   93   3HG2  ILE  13          3HG2      ILE  13   8.775  -5.249  -9.906
   94   1HD1  ILE  13          1HD1      ILE  13   6.577  -5.210  -6.419
   95   2HD1  ILE  13          2HD1      ILE  13   6.762  -6.537  -5.247
   96   3HD1  ILE  13          3HD1      ILE  13   7.725  -5.051  -5.069
   97    H    ALA  14           H        ALA  14  11.932  -6.252  -8.891
   98    HA   ALA  14           HA       ALA  14  12.365  -4.042 -10.781
   99   1HB   ALA  14          2HB       ALA  14  14.373  -6.188 -10.719
  100   2HB   ALA  14          3HB       ALA  14  14.585  -4.424 -10.615
  101   3HB   ALA  14          1HB       ALA  14  14.191  -5.362  -9.154
  102    H    GLY  15           H        GLY  15  10.127  -5.219 -11.449
  103   1HA   GLY  15          2HA       GLY  15   9.124  -6.267 -13.173
  104   2HA   GLY  15          1HA       GLY  15  10.003  -7.678 -12.620
  105    H    GLY  16           H        GLY  16  10.201  -4.788 -14.763
  106   1HA   GLY  16          2HA       GLY  16  11.117  -6.031 -17.000
  107   2HA   GLY  16          1HA       GLY  16  12.581  -5.710 -16.092
  108    H    GLU  17           H        GLU  17  12.101  -4.490 -18.601
  109    HA   GLU  17           HA       GLU  17  12.812  -1.976 -18.239
  110   1HB   GLU  17          1HB       GLU  17  12.831  -2.774 -20.459
  111   2HB   GLU  17          2HB       GLU  17  11.151  -3.269 -20.408
  112   1HG   GLU  17          1HG       GLU  17  10.351  -1.028 -20.614
  113   2HG   GLU  17          2HG       GLU  17  11.886  -0.336 -20.129
  114    H    LYS  18           H        LYS  18   9.341  -2.882 -18.889
  115    HA   LYS  18           HA       LYS  18   8.421  -0.310 -18.133
  116   1HB   LYS  18          1HB       LYS  18   7.096  -2.943 -18.778
  117   2HB   LYS  18          2HB       LYS  18   6.163  -1.580 -18.192
  118   1HG   LYS  18          1HG       LYS  18   6.484  -0.338 -20.125
  119   2HG   LYS  18          2HG       LYS  18   8.092  -0.978 -20.403
  120   1HD   LYS  18          1HD       LYS  18   7.317  -2.671 -21.727
  121   2HD   LYS  18          2HD       LYS  18   6.023  -3.069 -20.614
  122   1HE   LYS  18          1HE       LYS  18   5.689  -0.486 -22.086
  123   2HE   LYS  18          2HE       LYS  18   5.622  -1.927 -23.080
  124   1HZ   LYS  18          1HZ       LYS  18   4.029  -1.544 -20.641
  125   2HZ   LYS  18          2HZ       LYS  18   3.476  -1.279 -22.155
  126   3HZ   LYS  18          3HZ       LYS  18   3.906  -2.786 -21.695
  127    H    ASN  19           H        ASN  19   9.903  -0.535 -16.062
  128    HA   ASN  19           HA       ASN  19   9.288  -2.137 -13.993
  129   1HB   ASN  19          1HB       ASN  19  10.947   0.009 -14.348
  130   2HB   ASN  19          2HB       ASN  19   9.736   0.769 -13.335
  131   2HD2  ASN  19          1HD2      ASN  19  12.611  -0.237 -13.023
  132   1HD2  ASN  19          2HD2      ASN  19  12.614  -1.121 -11.534
  133    H    LEU  20           H        LEU  20   8.292  -0.994 -11.762
  134    HA   LEU  20           HA       LEU  20   5.806   0.366 -12.478
  135   1HB   LEU  20          1HB       LEU  20   5.015  -1.332 -10.476
  136   2HB   LEU  20          2HB       LEU  20   4.645  -1.485 -12.182
  137    HG   LEU  20           HG       LEU  20   7.031  -2.780 -10.835
  138   1HD1  LEU  20          1HD1      LEU  20   4.247  -3.519 -10.777
  139   2HD1  LEU  20          2HD1      LEU  20   5.190  -4.745 -11.658
  140   3HD1  LEU  20          3HD1      LEU  20   5.646  -4.295  -9.997
  141   1HD2  LEU  20          1HD2      LEU  20   6.146  -2.533 -13.623
  142   2HD2  LEU  20          2HD2      LEU  20   7.738  -2.958 -12.949
  143   3HD2  LEU  20          3HD2      LEU  20   6.480  -4.206 -13.114
  144    H    THR  21           H        THR  21   5.943   2.287 -11.453
  145    HA   THR  21           HA       THR  21   6.946   2.232  -8.683
  146    HB   THR  21           HB       THR  21   7.273   4.650 -10.473
  147    HG1  THR  21           HG1      THR  21   8.936   2.234 -10.317
  148   1HG2  THR  21          1HG2      THR  21   8.028   4.313  -7.927
  149   2HG2  THR  21          2HG2      THR  21   9.365   3.403  -8.670
  150   3HG2  THR  21          3HG2      THR  21   9.119   5.117  -9.081
  151    H    VAL  22           H        VAL  22   5.599   2.983  -7.163
  152    HA   VAL  22           HA       VAL  22   3.234   4.419  -8.150
  153    HB   VAL  22           HB       VAL  22   3.672   2.395  -5.981
  154   1HG1  VAL  22          1HG1      VAL  22   2.608   4.306  -4.864
  155   2HG1  VAL  22          2HG1      VAL  22   1.337   4.334  -6.110
  156   3HG1  VAL  22          3HG1      VAL  22   1.481   2.937  -5.017
  157   1HG2  VAL  22          1HG2      VAL  22   2.404   2.458  -8.547
  158   2HG2  VAL  22          2HG2      VAL  22   2.567   1.095  -7.414
  159   3HG2  VAL  22          3HG2      VAL  22   1.158   2.177  -7.308
  160    H    VAL  23           H        VAL  23   2.899   6.479  -7.444
  161    HA   VAL  23           HA       VAL  23   4.884   7.550  -5.620
  162    HB   VAL  23           HB       VAL  23   2.818   8.720  -7.472
  163   1HG1  VAL  23          1HG1      VAL  23   3.890   9.911  -5.048
  164   2HG1  VAL  23          2HG1      VAL  23   4.362  10.842  -6.490
  165   3HG1  VAL  23          3HG1      VAL  23   2.642  10.521  -6.161
  166   1HG2  VAL  23          1HG2      VAL  23   5.133   7.860  -8.233
  167   2HG2  VAL  23          2HG2      VAL  23   4.630   9.490  -8.744
  168   3HG2  VAL  23          3HG2      VAL  23   5.781   9.294  -7.400
  169    H    PHE  24           H        PHE  24   4.508   7.991  -3.498
  170    HA   PHE  24           HA       PHE  24   1.728   7.696  -2.610
  171   1HB   PHE  24          1HB       PHE  24   3.451   6.041  -1.775
  172   2HB   PHE  24          2HB       PHE  24   4.454   7.365  -1.219
  173    HD1  PHE  24           HD1      PHE  24   3.318   8.981   0.518
  174    HD2  PHE  24           HD2      PHE  24   2.004   5.025  -0.280
  175    HE1  PHE  24           HE1      PHE  24   2.172   8.911   2.750
  176    HE2  PHE  24           HE2      PHE  24   0.858   4.956   1.952
  177    HZ   PHE  24           HZ       PHE  24   0.956   6.900   3.440
  178    H    ASN  25           H        ASN  25   0.948   9.127  -0.912
  179    HA   ASN  25           HA       ASN  25   2.611  11.462  -0.493
  180   1HB   ASN  25          1HB       ASN  25  -0.336  11.909  -0.983
  181   2HB   ASN  25          2HB       ASN  25   1.005  13.001  -1.269
  182   2HD2  ASN  25          1HD2      ASN  25   0.745  13.502  -3.341
  183   1HD2  ASN  25          2HD2      ASN  25   0.764  12.390  -4.669
  184    H    HIS  26           H        HIS  26   2.670  11.748   1.653
  185    HA   HIS  26           HA       HIS  26   0.895  10.351   3.476
  186   1HB   HIS  26          1HB       HIS  26   3.291  12.190   3.642
  187   2HB   HIS  26          2HB       HIS  26   2.257  11.980   5.120
  188    HD1  HIS  26           HD1      HIS  26   4.772  10.305   3.001
  189    HD2  HIS  26           HD2      HIS  26   2.348   9.363   6.273
  190    HE1  HIS  26           HE1      HIS  26   5.705   8.110   3.977
  191    H    SER  27           H        SER  27   0.414  13.106   1.585
  192    HA   SER  27           HA       SER  27  -1.144  14.435   3.632
  193   1HB   SER  27          1HB       SER  27  -1.431  16.194   1.793
  194   2HB   SER  27          2HB       SER  27   0.199  15.971   2.396
  195    HG   SER  27           HG       SER  27  -0.929  14.993  -0.077
  196    H    THR  28           H        THR  28  -1.834  11.762   2.364
  197    HA   THR  28           HA       THR  28  -4.561  12.463   1.655
  198    HB   THR  28           HB       THR  28  -4.266  10.816  -0.374
  199    HG1  THR  28           HG1      THR  28  -2.133  10.293  -0.697
  200   1HG2  THR  28          1HG2      THR  28  -4.352  13.490  -0.401
  201   2HG2  THR  28          2HG2      THR  28  -2.616  13.328  -0.761
  202   3HG2  THR  28          3HG2      THR  28  -3.822  12.602  -1.850
  203    H    HIS  29           H        HIS  29  -3.082  11.286   3.879
  204    HA   HIS  29           HA       HIS  29  -4.862   9.042   4.359
  205   1HB   HIS  29          1HB       HIS  29  -1.878   8.550   3.868
  206   2HB   HIS  29          2HB       HIS  29  -2.960   7.393   4.756
  207    HD1  HIS  29           HD1      HIS  29  -1.775   8.300   1.464
  208    HD2  HIS  29           HD2      HIS  29  -5.114   6.330   3.026
  209    HE1  HIS  29           HE1      HIS  29  -2.818   6.990  -0.495
  210    H    LYS  30           H        LYS  30  -4.214  11.697   5.494
  211    HA   LYS  30           HA       LYS  30  -2.741  11.153   7.903
  212   1HB   LYS  30          1HB       LYS  30  -4.375  13.617   7.276
  213   2HB   LYS  30          2HB       LYS  30  -3.026  13.463   8.383
  214   1HG   LYS  30          1HG       LYS  30  -1.481  13.021   6.497
  215   2HG   LYS  30          2HG       LYS  30  -2.816  13.054   5.362
  216   1HD   LYS  30          1HD       LYS  30  -2.962  15.353   5.380
  217   2HD   LYS  30          2HD       LYS  30  -2.625  15.469   7.096
  218   1HE   LYS  30          1HE       LYS  30  -0.267  14.473   5.688
  219   2HE   LYS  30          2HE       LYS  30  -0.821  15.960   4.944
  220   1HZ   LYS  30          1HZ       LYS  30  -0.901  16.124   7.761
  221   2HZ   LYS  30          2HZ       LYS  30   0.601  15.749   7.241
  222   3HZ   LYS  30          3HZ       LYS  30  -0.141  17.096   6.691
  223    H    ASP  31           H        ASP  31  -6.080  11.089   6.754
  224    HA   ASP  31           HA       ASP  31  -7.153  11.173   9.385
  225   1HB   ASP  31          1HB       ASP  31  -9.252  11.100   8.336
  226   2HB   ASP  31          2HB       ASP  31  -8.259  11.852   7.103
  227    H    VAL  32           H        VAL  32  -5.255   8.945   7.902
  228    HA   VAL  32           HA       VAL  32  -6.839   6.633   8.772
  229    HB   VAL  32           HB       VAL  32  -4.606   6.983   6.778
  230   1HG1  VAL  32          1HG1      VAL  32  -5.625   4.459   8.083
  231   2HG1  VAL  32          2HG1      VAL  32  -4.936   4.442   6.442
  232   3HG1  VAL  32          3HG1      VAL  32  -3.946   4.989   7.818
  233   1HG2  VAL  32          1HG2      VAL  32  -7.153   7.359   6.289
  234   2HG2  VAL  32          2HG2      VAL  32  -6.155   6.430   5.145
  235   3HG2  VAL  32          3HG2      VAL  32  -7.221   5.581   6.290
  236    H    LYS  33           H        LYS  33  -5.940   5.122  10.232
  237    HA   LYS  33           HA       LYS  33  -4.184   6.239  12.125
  238   1HB   LYS  33          1HB       LYS  33  -4.882   3.310  11.877
  239   2HB   LYS  33          2HB       LYS  33  -4.478   4.214  13.323
  240   1HG   LYS  33          1HG       LYS  33  -6.668   4.696  13.637
  241   2HG   LYS  33          2HG       LYS  33  -6.696   5.569  12.118
  242   1HD   LYS  33          1HD       LYS  33  -8.269   3.968  11.581
  243   2HD   LYS  33          2HD       LYS  33  -6.844   3.061  11.115
  244   1HE   LYS  33          1HE       LYS  33  -7.456   1.461  12.604
  245   2HE   LYS  33          2HE       LYS  33  -7.086   2.590  13.893
  246   1HZ   LYS  33          1HZ       LYS  33  -9.468   3.442  13.210
  247   2HZ   LYS  33          2HZ       LYS  33  -9.645   1.876  12.782
  248   3HZ   LYS  33          3HZ       LYS  33  -9.247   2.263  14.317
  249    H    CYS  34           H        CYS  34  -1.998   6.299  12.210
  250    HA   CYS  34           HA       CYS  34  -0.514   5.375  10.020
  251   1HB   CYS  34          1HB       CYS  34   0.405   6.309  12.746
  252   2HB   CYS  34          2HB       CYS  34   1.454   6.046  11.367
  253    H    ASP  35           H        ASP  35  -1.933   3.761  12.657
  254    HA   ASP  35           HA       ASP  35   0.180   1.896  13.072
  255   1HB   ASP  35          1HB       ASP  35  -1.412   0.781  14.577
  256   2HB   ASP  35          2HB       ASP  35  -1.417   2.507  14.880
  257    H    ASP  36           H        ASP  36  -2.352   2.431  10.784
  258    HA   ASP  36           HA       ASP  36  -2.874  -0.327  10.277
  259   1HB   ASP  36          1HB       ASP  36  -4.747   0.916   9.708
  260   2HB   ASP  36          2HB       ASP  36  -3.807   2.324   9.255
  261    H    CYS  37           H        CYS  37  -0.608   2.175   9.324
  262    HA   CYS  37           HA       CYS  37   0.217   0.566   7.020
  263   1HB   CYS  37          1HB       CYS  37   0.654   3.524   7.548
  264   2HB   CYS  37          2HB       CYS  37   1.325   2.638   6.192
  265    H    HIS  38           H        HIS  38   1.101   2.301   9.954
  266    HA   HIS  38           HA       HIS  38   3.780   0.949   9.948
  267   1HB   HIS  38          1HB       HIS  38   2.964   3.635  11.191
  268   2HB   HIS  38          2HB       HIS  38   4.607   2.865  11.264
  269    HD1  HIS  38           HD1      HIS  38   5.303   2.243   8.536
  270    HD2  HIS  38           HD2      HIS  38   3.097   5.681   9.421
  271    HE1  HIS  38           HE1      HIS  38   5.677   3.864   6.567
  272    H    HIS  39           H        HIS  39   2.884  -0.884  10.899
  273    HA   HIS  39           HA       HIS  39   1.721  -0.610  13.626
  274   1HB   HIS  39          1HB       HIS  39   0.954  -2.846  13.375
  275   2HB   HIS  39          2HB       HIS  39   0.643  -1.997  11.800
  276    HD1  HIS  39           HD1      HIS  39   2.627  -4.727  13.363
  277    HD2  HIS  39           HD2      HIS  39   2.051  -3.037   9.584
  278    HE1  HIS  39           HE1      HIS  39   3.686  -6.362  11.675
  279    H    GLN  40           H        GLN  40   4.534   0.109  13.165
  280    HA   GLN  40           HA       GLN  40   5.905  -2.137  14.380
  281   1HB   GLN  40          1HB       GLN  40   6.668   0.058  12.605
  282   2HB   GLN  40          2HB       GLN  40   7.730  -0.005  13.997
  283   1HG   GLN  40          1HG       GLN  40   7.412  -2.712  13.248
  284   2HG   GLN  40          2HG       GLN  40   7.533  -1.857  11.723
  285   2HE2  GLN  40          1HE2      GLN  40   9.495  -3.457  12.061
  286   1HE2  GLN  40          2HE2      GLN  40  10.968  -2.704  12.574
  287    HA   PRO  41           HA       PRO  41   6.194  -0.228  18.336
  288   1HB   PRO  41          1HB       PRO  41   8.708  -0.929  19.170
  289   2HB   PRO  41          2HB       PRO  41   7.414  -2.139  18.888
  290   1HG   PRO  41          1HG       PRO  41   9.713  -1.552  17.146
  291   2HG   PRO  41          2HG       PRO  41   8.836  -3.049  17.604
  292   1HD   PRO  41          1HD       PRO  41   8.472  -1.501  15.225
  293   2HD   PRO  41          2HD       PRO  41   7.349  -2.748  15.847
  294    H    GLY  42           H        GLY  42   6.951   1.684  19.466
  295   1HA   GLY  42          2HA       GLY  42   7.862   3.730  19.633
  296   2HA   GLY  42          1HA       GLY  42   7.822   3.789  17.882
  297    H    ASP  43           H        ASP  43   9.726   3.597  16.695
  298    HA   ASP  43           HA       ASP  43  12.062   4.253  17.699
  299   1HB   ASP  43          1HB       ASP  43  11.525   1.385  18.282
  300   2HB   ASP  43          2HB       ASP  43  13.070   1.670  17.506
  301    H    LYS  44           H        LYS  44  10.525   1.653  15.700
  302    HA   LYS  44           HA       LYS  44  12.064   2.642  13.411
  303   1HB   LYS  44          1HB       LYS  44  12.047  -0.073  14.567
  304   2HB   LYS  44          2HB       LYS  44  11.760  -0.023  12.839
  305   1HG   LYS  44          1HG       LYS  44  14.098  -0.067  12.889
  306   2HG   LYS  44          2HG       LYS  44  13.808   1.659  12.809
  307   1HD   LYS  44          1HD       LYS  44  15.488   1.059  14.565
  308   2HD   LYS  44          2HD       LYS  44  14.096   1.888  15.234
  309   1HE   LYS  44          1HE       LYS  44  13.364   0.026  16.390
  310   2HE   LYS  44          2HE       LYS  44  13.845  -1.086  15.124
  311   1HZ   LYS  44          1HZ       LYS  44  16.135  -0.768  15.815
  312   2HZ   LYS  44          2HZ       LYS  44  15.667   0.239  17.012
  313   3HZ   LYS  44          3HZ       LYS  44  15.224  -1.333  17.047
  314    H    GLN  45           H        GLN  45   9.322   3.191  14.536
  315    HA   GLN  45           HA       GLN  45   7.379   1.799  13.244
  316   1HB   GLN  45          1HB       GLN  45   7.067   3.590  14.991
  317   2HB   GLN  45          2HB       GLN  45   7.400   4.804  13.772
  318   1HG   GLN  45          1HG       GLN  45   5.392   4.404  12.615
  319   2HG   GLN  45          2HG       GLN  45   5.264   2.752  13.185
  320   2HE2  GLN  45          1HE2      GLN  45   4.148   2.287  14.968
  321   1HE2  GLN  45          2HE2      GLN  45   3.365   3.434  16.003
  322    H    TYR  46           H        TYR  46   9.779   3.914  11.976
  323    HA   TYR  46           HA       TYR  46   8.341   4.155   9.383
  324   1HB   TYR  46          1HB       TYR  46  10.891   5.576   9.708
  325   2HB   TYR  46          2HB       TYR  46   9.323   6.166   9.133
  326    HD1  TYR  46           HD1      TYR  46   7.472   6.125  11.191
  327    HD2  TYR  46           HD2      TYR  46  11.715   6.692  11.549
  328    HE1  TYR  46           HE1      TYR  46   7.132   7.317  13.339
  329    HE2  TYR  46           HE2      TYR  46  11.375   7.884  13.697
  330    HH   TYR  46           HH       TYR  46   9.849   8.731  15.178
  331    H    ALA  47           H        ALA  47   9.919   1.733  10.620
  332    HA   ALA  47           HA       ALA  47  12.215   1.585   8.906
  333   1HB   ALA  47          3HB       ALA  47  12.398   0.522  11.028
  334   2HB   ALA  47          2HB       ALA  47  12.222  -0.803   9.854
  335   3HB   ALA  47          1HB       ALA  47  10.830  -0.298  10.840
  336    H    GLY  48           H        GLY  48  12.398   0.543   6.937
  337   1HA   GLY  48          2HA       GLY  48  11.789  -0.712   5.146
  338   2HA   GLY  48          1HA       GLY  48  10.405   0.363   5.163
  339    H    CYS  49           H        CYS  49   9.008  -1.298   4.307
  340    HA   CYS  49           HA       CYS  49   7.843  -2.883   6.360
  341   1HB   CYS  49          1HB       CYS  49   7.221  -2.937   3.405
  342   2HB   CYS  49          2HB       CYS  49   6.205  -3.498   4.718
  343    H    THR  50           H        THR  50   9.726  -3.437   3.312
  344    HA   THR  50           HA       THR  50   9.698  -6.231   3.418
  345    HB   THR  50           HB       THR  50  11.604  -5.967   1.809
  346    HG1  THR  50           HG1      THR  50  12.771  -4.099   2.061
  347   1HG2  THR  50          1HG2      THR  50   9.023  -4.707   1.533
  348   2HG2  THR  50          2HG2      THR  50  10.239  -3.600   0.852
  349   3HG2  THR  50          3HG2      THR  50  10.106  -5.265   0.235
  350    H    THR  51           H        THR  51  12.504  -4.086   4.256
  351    HA   THR  51           HA       THR  51  14.343  -4.686   5.446
  352    HB   THR  51           HB       THR  51  12.417  -5.266   7.700
  353    HG1  THR  51           HG1      THR  51  11.362  -3.353   7.255
  354   1HG2  THR  51          1HG2      THR  51  15.054  -4.092   7.351
  355   2HG2  THR  51          2HG2      THR  51  13.950  -2.858   8.005
  356   3HG2  THR  51          3HG2      THR  51  14.175  -4.397   8.869
  357    H    ASP  52           H        ASP  52  13.875  -6.531   7.936
  358    HA   ASP  52           HA       ASP  52  14.258  -8.976   6.394
  359   1HB   ASP  52          1HB       ASP  52  15.484  -8.082   9.043
  360   2HB   ASP  52          2HB       ASP  52  15.637  -9.714   8.424
  361    H    GLY  53           H        GLY  53  13.130 -10.859   7.169
  362   1HA   GLY  53          2HA       GLY  53  12.017 -11.207   9.682
  363   2HA   GLY  53          1HA       GLY  53  11.500 -12.003   8.209
  364    H    CYS  54           H        CYS  54  10.582  -9.789   6.669
  365    HA   CYS  54           HA       CYS  54   8.186  -9.168   8.193
  366   1HB   CYS  54          1HB       CYS  54   9.647  -7.013   6.641
  367   2HB   CYS  54          2HB       CYS  54   8.204  -6.832   7.618
  368    H    HIS  55           H        HIS  55   8.185  -7.221   5.605
  369    HA   HIS  55           HA       HIS  55   6.885  -9.258   3.848
  370   1HB   HIS  55          1HB       HIS  55   6.683  -6.206   3.699
  371   2HB   HIS  55          2HB       HIS  55   5.620  -7.449   2.909
  372    HD1  HIS  55           HD1      HIS  55   3.974  -8.689   4.457
  373    HD2  HIS  55           HD2      HIS  55   5.928  -5.469   6.269
  374    HE1  HIS  55           HE1      HIS  55   2.635  -8.145   6.591
  375    H    ASN  56           H        ASN  56   9.419  -9.774   3.576
  376    HA   ASN  56           HA       ASN  56  10.631  -7.992   1.685
  377   1HB   ASN  56          1HB       ASN  56  11.843  -9.350   3.562
  378   2HB   ASN  56          2HB       ASN  56  11.638 -10.750   2.528
  379   2HD2  ASN  56          1HD2      ASN  56  14.108  -9.764   3.320
  380   1HD2  ASN  56          2HD2      ASN  56  14.980  -9.168   1.947
  381    H    ILE  57           H        ILE  57   9.357 -11.384   1.919
  382    HA   ILE  57           HA       ILE  57   9.958 -12.422  -0.473
  383    HB   ILE  57           HB       ILE  57   7.407 -12.568   1.118
  384   1HG1  ILE  57          1HG1      ILE  57  10.029 -13.794   1.281
  385   2HG1  ILE  57          2HG1      ILE  57   8.710 -13.808   2.435
  386   1HG2  ILE  57          1HG2      ILE  57   8.170 -14.197  -1.320
  387   2HG2  ILE  57          2HG2      ILE  57   6.839 -14.581  -0.203
  388   3HG2  ILE  57          3HG2      ILE  57   6.792 -13.082  -1.161
  389   1HD1  ILE  57          1HD1      ILE  57   8.850 -15.608  -0.027
  390   2HD1  ILE  57          2HD1      ILE  57   9.315 -16.103   1.618
  391   3HD1  ILE  57          3HD1      ILE  57   7.624 -15.674   1.262
  392    H    LEU  58           H        LEU  58   9.912 -11.632  -2.501
  393    HA   LEU  58           HA       LEU  58   7.788  -9.713  -3.127
  394   1HB   LEU  58          1HB       LEU  58  10.371 -10.210  -4.607
  395   2HB   LEU  58          2HB       LEU  58   9.222  -8.917  -4.883
  396    HG   LEU  58           HG       LEU  58  11.006  -9.287  -2.465
  397   1HD1  LEU  58          1HD1      LEU  58  11.283  -7.870  -4.969
  398   2HD1  LEU  58          2HD1      LEU  58  11.340  -6.742  -3.593
  399   3HD1  LEU  58          3HD1      LEU  58  12.465  -8.120  -3.662
  400   1HD2  LEU  58          1HD2      LEU  58   8.716  -8.449  -1.872
  401   2HD2  LEU  58          2HD2      LEU  58  10.050  -7.337  -1.482
  402   3HD2  LEU  58          3HD2      LEU  58   9.031  -7.038  -2.911
  403    H    ASP  59           H        ASP  59   6.994 -12.388  -2.929
  404    HA   ASP  59           HA       ASP  59   6.562 -12.948  -5.751
  405   1HB   ASP  59          1HB       ASP  59   8.207 -14.564  -4.673
  406   2HB   ASP  59          2HB       ASP  59   6.941 -15.042  -3.560
  407    H    LYS  60           H        LYS  60   4.393 -13.755  -6.205
  408    HA   LYS  60           HA       LYS  60   2.522 -13.233  -4.043
  409   1HB   LYS  60          1HB       LYS  60   0.881 -12.966  -5.712
  410   2HB   LYS  60          2HB       LYS  60   2.320 -12.192  -6.345
  411   1HG   LYS  60          1HG       LYS  60   2.338 -13.578  -8.139
  412   2HG   LYS  60          2HG       LYS  60   2.383 -14.988  -7.100
  413   1HD   LYS  60          1HD       LYS  60   0.356 -15.352  -8.193
  414   2HD   LYS  60          2HD       LYS  60  -0.210 -14.486  -6.779
  415   1HE   LYS  60          1HE       LYS  60  -0.751 -12.585  -7.981
  416   2HE   LYS  60          2HE       LYS  60   0.610 -12.753  -9.072
  417   1HZ   LYS  60          1HZ       LYS  60  -0.883 -14.876  -9.691
  418   2HZ   LYS  60          2HZ       LYS  60  -2.038 -13.783  -9.323
  419   3HZ   LYS  60          3HZ       LYS  60  -0.938 -13.448 -10.481
  420    H    ALA  61           H        ALA  61   4.312 -15.825  -5.220
  421    HA   ALA  61           HA       ALA  61   2.361 -17.850  -5.296
  422   1HB   ALA  61          2HB       ALA  61   5.304 -18.110  -4.578
  423   2HB   ALA  61          1HB       ALA  61   4.716 -17.892  -6.243
  424   3HB   ALA  61          3HB       ALA  61   4.250 -19.339  -5.317
  425    H    ASP  62           H        ASP  62   4.481 -16.517  -2.692
  426    HA   ASP  62           HA       ASP  62   3.560 -18.399  -0.809
  427   1HB   ASP  62          1HB       ASP  62   5.607 -16.469  -0.975
  428   2HB   ASP  62          2HB       ASP  62   4.566 -15.855   0.294
  429    H    LYS  63           H        LYS  63   1.568 -18.303   0.242
  430    HA   LYS  63           HA       LYS  63   0.040 -15.849   0.025
  431   1HB   LYS  63          1HB       LYS  63  -0.586 -18.711   0.704
  432   2HB   LYS  63          2HB       LYS  63  -1.703 -17.443   1.165
  433   1HG   LYS  63          1HG       LYS  63  -0.764 -17.110  -1.608
  434   2HG   LYS  63          2HG       LYS  63  -1.519 -18.672  -1.364
  435   1HD   LYS  63          1HD       LYS  63  -3.025 -16.487  -0.067
  436   2HD   LYS  63          2HD       LYS  63  -2.854 -16.241  -1.794
  437   1HE   LYS  63          1HE       LYS  63  -3.497 -18.925  -1.723
  438   2HE   LYS  63          2HE       LYS  63  -4.373 -18.345  -0.321
  439   1HZ   LYS  63          1HZ       LYS  63  -5.352 -16.645  -1.739
  440   2HZ   LYS  63          2HZ       LYS  63  -4.576 -17.253  -3.041
  441   3HZ   LYS  63          3HZ       LYS  63  -5.705 -18.147  -2.272
  442    H    SER  64           H        SER  64   2.523 -16.479   1.870
  443    HA   SER  64           HA       SER  64   1.429 -16.366   4.464
  444   1HB   SER  64          1HB       SER  64   3.928 -15.597   4.943
  445   2HB   SER  64          2HB       SER  64   3.571 -17.255   4.500
  446    HG   SER  64           HG       SER  64   5.148 -16.783   3.063
  447    H    VAL  65           H        VAL  65   2.122 -14.459   6.006
  448    HA   VAL  65           HA       VAL  65   1.231 -12.019   4.702
  449    HB   VAL  65           HB       VAL  65   1.703 -12.590   7.631
  450   1HG1  VAL  65          1HG1      VAL  65   0.478 -10.340   6.076
  451   2HG1  VAL  65          2HG1      VAL  65  -0.208 -10.755   7.665
  452   3HG1  VAL  65          3HG1      VAL  65   1.507 -10.301   7.528
  453   1HG2  VAL  65          1HG2      VAL  65  -0.636 -13.210   5.848
  454   2HG2  VAL  65          2HG2      VAL  65   0.088 -14.178   7.154
  455   3HG2  VAL  65          3HG2      VAL  65  -0.917 -12.762   7.548
  456    H    ASN  66           H        ASN  66   3.859 -13.000   3.996
  457    HA   ASN  66           HA       ASN  66   5.416 -10.856   5.208
  458   1HB   ASN  66          1HB       ASN  66   6.395 -13.632   4.353
  459   2HB   ASN  66          2HB       ASN  66   7.450 -12.337   4.884
  460   2HD2  ASN  66          1HD2      ASN  66   7.042 -11.405   7.028
  461   1HD2  ASN  66          2HD2      ASN  66   6.523 -12.438   8.318
  462    H    SER  67           H        SER  67   3.700 -11.363   2.634
  463    HA   SER  67           HA       SER  67   5.824 -11.039   0.675
  464   1HB   SER  67          1HB       SER  67   3.074 -12.175   0.623
  465   2HB   SER  67          2HB       SER  67   3.486 -11.212  -0.783
  466    HG   SER  67           HG       SER  67   4.984 -13.468   0.251
  467    H    TRP  68           H        TRP  68   6.335  -8.919   0.267
  468    HA   TRP  68           HA       TRP  68   4.981  -6.727   1.101
  469   1HB   TRP  68          1HB       TRP  68   7.228  -6.612   0.278
  470   2HB   TRP  68          2HB       TRP  68   6.731  -7.096  -1.331
  471    HD1  TRP  68           HD1      TRP  68   6.845  -5.012  -2.889
  472    HE1  TRP  68           HE1      TRP  68   6.277  -2.436  -2.807
  473    HE3  TRP  68           HE3      TRP  68   5.344  -4.963   1.968
  474    HZ2  TRP  68           HZ2      TRP  68   5.285  -0.706  -0.766
  475    HZ3  TRP  68           HZ3      TRP  68   4.590  -2.789   2.929
  476    HH2  TRP  68           HH2      TRP  68   4.545  -0.710   1.645
  477    H    TYR  69           H        TYR  69   4.615  -8.600  -1.903
  478    HA   TYR  69           HA       TYR  69   2.432  -6.886  -2.854
  479   1HB   TYR  69          1HB       TYR  69   4.106  -7.838  -4.402
  480   2HB   TYR  69          2HB       TYR  69   3.603  -9.472  -3.935
  481    HD1  TYR  69           HD1      TYR  69   2.528  -6.358  -5.653
  482    HD2  TYR  69           HD2      TYR  69   1.649 -10.487  -4.858
  483    HE1  TYR  69           HE1      TYR  69   0.785  -6.326  -7.416
  484    HE2  TYR  69           HE2      TYR  69  -0.095 -10.455  -6.622
  485    HH   TYR  69           HH       TYR  69  -1.584  -8.089  -7.777
  486    H    LYS  70           H        LYS  70   1.595  -7.751  -0.392
  487    HA   LYS  70           HA       LYS  70  -0.473  -9.648  -1.169
  488   1HB   LYS  70          1HB       LYS  70   1.499 -10.852  -0.059
  489   2HB   LYS  70          2HB       LYS  70   1.051 -10.018   1.415
  490   1HG   LYS  70          1HG       LYS  70  -0.268 -11.891   1.701
  491   2HG   LYS  70          2HG       LYS  70  -1.400 -10.945   0.755
  492   1HD   LYS  70          1HD       LYS  70   0.258 -12.222  -1.162
  493   2HD   LYS  70          2HD       LYS  70  -0.043 -13.446   0.055
  494   1HE   LYS  70          1HE       LYS  70  -1.883 -13.700  -1.412
  495   2HE   LYS  70          2HE       LYS  70  -2.553 -12.735  -0.112
  496   1HZ   LYS  70          1HZ       LYS  70  -1.325 -11.250  -2.244
  497   2HZ   LYS  70          2HZ       LYS  70  -2.690 -12.049  -2.647
  498   3HZ   LYS  70          3HZ       LYS  70  -2.712 -10.957  -1.434
  499    H    VAL  71           H        VAL  71   0.814  -7.730   1.642
  500    HA   VAL  71           HA       VAL  71  -1.816  -7.145   2.546
  501    HB   VAL  71           HB       VAL  71  -0.785  -6.147   4.326
  502   1HG1  VAL  71          1HG1      VAL  71   0.154  -8.539   3.672
  503   2HG1  VAL  71          2HG1      VAL  71   1.684  -7.642   3.521
  504   3HG1  VAL  71          3HG1      VAL  71   0.800  -7.639   5.066
  505   1HG2  VAL  71          1HG2      VAL  71   1.093  -5.091   2.289
  506   2HG2  VAL  71          2HG2      VAL  71   0.383  -4.304   3.719
  507   3HG2  VAL  71          3HG2      VAL  71   1.786  -5.383   3.902
  508    H    VAL  72           H        VAL  72  -0.129  -6.132  -0.161
  509    HA   VAL  72           HA       VAL  72  -1.088  -3.384  -0.012
  510    HB   VAL  72           HB       VAL  72   0.784  -4.907  -1.808
  511   1HG1  VAL  72          1HG1      VAL  72  -0.858  -2.569  -2.499
  512   2HG1  VAL  72          2HG1      VAL  72   0.887  -2.312  -2.735
  513   3HG1  VAL  72          3HG1      VAL  72   0.071  -3.671  -3.544
  514   1HG2  VAL  72          1HG2      VAL  72   1.195  -3.474   0.507
  515   2HG2  VAL  72          2HG2      VAL  72   2.429  -3.819  -0.729
  516   3HG2  VAL  72          3HG2      VAL  72   1.552  -2.271  -0.755
  517    H    HIS  73           H        HIS  73  -1.478  -6.428  -1.743
  518    HA   HIS  73           HA       HIS  73  -3.871  -5.300  -3.153
  519   1HB   HIS  73          1HB       HIS  73  -2.117  -7.713  -3.874
  520   2HB   HIS  73          2HB       HIS  73  -3.522  -7.068  -4.826
  521    HD1  HIS  73           HD1      HIS  73   0.056  -6.457  -4.026
  522    HD2  HIS  73           HD2      HIS  73  -2.961  -4.773  -6.378
  523    HE1  HIS  73           HE1      HIS  73   1.224  -4.793  -5.610
  524    H    ASP  74           H        ASP  74  -3.423  -6.546  -0.293
  525    HA   ASP  74           HA       ASP  74  -4.929  -8.945  -0.450
  526   1HB   ASP  74          1HB       ASP  74  -3.547  -7.335   1.611
  527   2HB   ASP  74          2HB       ASP  74  -5.036  -8.041   2.205
  528    H    ALA  75           H        ALA  75  -6.736  -7.712  -1.725
  529    HA   ALA  75           HA       ALA  75  -8.259  -5.702  -0.626
  530   1HB   ALA  75          2HB       ALA  75  -9.444  -7.970  -2.240
  531   2HB   ALA  75          1HB       ALA  75  -8.277  -6.842  -2.970
  532   3HB   ALA  75          3HB       ALA  75  -9.813  -6.230  -2.311
  533    H    LYS  76           H        LYS  76  -8.520  -9.289  -0.226
  534    HA   LYS  76           HA       LYS  76 -10.832  -9.476   1.155
  535   1HB   LYS  76          1HB       LYS  76 -10.163 -11.583   1.609
  536   2HB   LYS  76          2HB       LYS  76  -8.867 -11.190   0.497
  537   1HG   LYS  76          1HG       LYS  76  -7.490 -10.404   2.496
  538   2HG   LYS  76          2HG       LYS  76  -8.760 -11.005   3.543
  539   1HD   LYS  76          1HD       LYS  76  -8.467 -13.295   2.645
  540   2HD   LYS  76          2HD       LYS  76  -7.272 -12.720   1.500
  541   1HE   LYS  76          1HE       LYS  76  -6.047 -13.667   3.355
  542   2HE   LYS  76          2HE       LYS  76  -5.861 -11.929   3.470
  543   1HZ   LYS  76          1HZ       LYS  76  -8.004 -12.215   4.921
  544   2HZ   LYS  76          2HZ       LYS  76  -7.389 -13.710   5.154
  545   3HZ   LYS  76          3HZ       LYS  76  -6.510 -12.395   5.558
  546    H    GLY  77           H        GLY  77  -7.612  -8.460   2.435
  547   1HA   GLY  77          2HA       GLY  77  -8.962  -7.011   4.563
  548   2HA   GLY  77          1HA       GLY  77  -7.267  -6.942   4.123
  549    H    GLY  78           H        GLY  78  -6.291  -7.364   6.109
  550   1HA   GLY  78          2HA       GLY  78  -5.308  -9.281   7.227
  551   2HA   GLY  78          1HA       GLY  78  -6.901 -10.009   7.286
  552    H    ALA  79           H        ALA  79  -4.862  -9.065   9.426
  553    HA   ALA  79           HA       ALA  79  -6.685  -8.370  11.377
  554   1HB   ALA  79          2HB       ALA  79  -3.998  -7.341  11.886
  555   2HB   ALA  79          3HB       ALA  79  -4.869  -8.680  12.672
  556   3HB   ALA  79          1HB       ALA  79  -3.952  -8.972  11.175
  557    H    LYS  80           H        LYS  80  -4.726  -6.341   9.155
  558    HA   LYS  80           HA       LYS  80  -6.345  -4.065  10.035
  559   1HB   LYS  80          1HB       LYS  80  -3.338  -4.189   9.783
  560   2HB   LYS  80          2HB       LYS  80  -4.211  -2.675   9.650
  561   1HG   LYS  80          1HG       LYS  80  -4.258  -2.550  11.912
  562   2HG   LYS  80          2HG       LYS  80  -5.306  -3.954  11.938
  563   1HD   LYS  80          1HD       LYS  80  -3.329  -5.460  11.981
  564   2HD   LYS  80          2HD       LYS  80  -2.254  -4.081  11.878
  565   1HE   LYS  80          1HE       LYS  80  -4.277  -4.420  14.138
  566   2HE   LYS  80          2HE       LYS  80  -2.640  -5.039  14.236
  567   1HZ   LYS  80          1HZ       LYS  80  -2.982  -2.268  13.462
  568   2HZ   LYS  80          2HZ       LYS  80  -3.236  -2.653  15.029
  569   3HZ   LYS  80          3HZ       LYS  80  -1.790  -2.962  14.336
  570    HA   PRO  81           HA       PRO  81  -7.457  -3.374   5.900
  571   1HB   PRO  81          1HB       PRO  81  -6.840  -0.605   5.764
  572   2HB   PRO  81          2HB       PRO  81  -8.363  -1.333   6.371
  573   1HG   PRO  81          1HG       PRO  81  -6.052  -0.315   8.155
  574   2HG   PRO  81          2HG       PRO  81  -7.842  -0.244   8.251
  575   1HD   PRO  81          1HD       PRO  81  -6.341  -2.151   9.567
  576   2HD   PRO  81          2HD       PRO  81  -7.966  -2.511   8.909
  577    H    THR  82           H        THR  82  -6.491  -3.051   3.753
  578    HA   THR  82           HA       THR  82  -3.555  -2.990   3.901
  579    HB   THR  82           HB       THR  82  -3.941  -4.088   1.536
  580    HG1  THR  82           HG1      THR  82  -6.098  -4.489   1.160
  581   1HG2  THR  82          1HG2      THR  82  -4.263  -5.258   4.255
  582   2HG2  THR  82          2HG2      THR  82  -5.030  -6.210   2.962
  583   3HG2  THR  82          3HG2      THR  82  -3.290  -5.842   2.884
  584    H    CYS  83           H        CYS  83  -5.171  -2.548   0.836
  585    HA   CYS  83           HA       CYS  83  -4.855   0.329   1.019
  586   1HB   CYS  83          1HB       CYS  83  -3.447  -1.301  -1.106
  587   2HB   CYS  83          2HB       CYS  83  -3.523   0.448  -1.026
  588    H    ILE  84           H        ILE  84  -5.649  -2.606  -0.955
  589    HA   ILE  84           HA       ILE  84  -7.503  -1.106  -2.566
  590    HB   ILE  84           HB       ILE  84  -6.220  -3.733  -2.599
  591   1HG1  ILE  84          1HG1      ILE  84  -7.219  -1.741  -4.640
  592   2HG1  ILE  84          2HG1      ILE  84  -5.563  -2.108  -4.199
  593   1HG2  ILE  84          1HG2      ILE  84  -8.546  -4.455  -2.221
  594   2HG2  ILE  84          2HG2      ILE  84  -9.057  -3.513  -3.643
  595   3HG2  ILE  84          3HG2      ILE  84  -7.950  -4.894  -3.839
  596   1HD1  ILE  84          1HD1      ILE  84  -6.076  -4.535  -5.005
  597   2HD1  ILE  84          2HD1      ILE  84  -7.510  -3.820  -5.779
  598   3HD1  ILE  84          3HD1      ILE  84  -5.882  -3.272  -6.244
  599    H    SER  85           H        SER  85  -7.487  -2.877   0.446
  600    HA   SER  85           HA       SER  85 -10.168  -3.669   0.394
  601   1HB   SER  85          1HB       SER  85  -9.864  -3.973   2.855
  602   2HB   SER  85          2HB       SER  85  -8.573  -4.705   1.923
  603    HG   SER  85           HG       SER  85  -8.410  -2.769   3.847
  604    H    CYS  86           H        CYS  86  -8.725  -1.244   2.681
  605    HA   CYS  86           HA       CYS  86 -10.929   0.010   3.457
  606   1HB   CYS  86          1HB       CYS  86  -8.720   0.588   4.302
  607   2HB   CYS  86          2HB       CYS  86  -8.278   1.321   2.773
  608    H    HIS  87           H        HIS  87  -9.108   0.557   0.461
  609    HA   HIS  87           HA       HIS  87 -10.612   2.727  -0.594
  610   1HB   HIS  87          1HB       HIS  87  -8.761   0.587  -1.674
  611   2HB   HIS  87          2HB       HIS  87  -9.717   1.592  -2.846
  612    HD1  HIS  87           HD1      HIS  87  -8.122   3.130  -3.780
  613    HD2  HIS  87           HD2      HIS  87  -7.649   2.857   0.364
  614    HE1  HIS  87           HE1      HIS  87  -6.336   4.877  -3.144
  615    H    LYS  88           H        LYS  88 -10.867  -0.813  -1.531
  616    HA   LYS  88           HA       LYS  88 -13.179  -0.495  -3.013
  617   1HB   LYS  88          1HB       LYS  88 -13.233  -2.813  -3.128
  618   2HB   LYS  88          2HB       LYS  88 -11.537  -2.477  -2.841
  619   1HG   LYS  88          1HG       LYS  88 -11.611  -3.772  -0.985
  620   2HG   LYS  88          2HG       LYS  88 -12.739  -2.645  -0.258
  621   1HD   LYS  88          1HD       LYS  88 -14.654  -3.847  -1.132
  622   2HD   LYS  88          2HD       LYS  88 -13.651  -4.815  -2.194
  623   1HE   LYS  88          1HE       LYS  88 -12.473  -5.594   0.050
  624   2HE   LYS  88          2HE       LYS  88 -13.929  -4.996   0.821
  625   1HZ   LYS  88          1HZ       LYS  88 -15.210  -6.432  -0.620
  626   2HZ   LYS  88          2HZ       LYS  88 -13.852  -6.990  -1.337
  627   3HZ   LYS  88          3HZ       LYS  88 -14.130  -7.303   0.242
  628    H    ASP  89           H        ASP  89 -12.662  -0.286   0.414
  629    HA   ASP  89           HA       ASP  89 -15.474  -0.791   0.900
  630   1HB   ASP  89          1HB       ASP  89 -13.145  -1.382   2.348
  631   2HB   ASP  89          2HB       ASP  89 -13.790   0.007   3.198
  632    H    LYS  90           H        LYS  90 -14.096   1.654  -0.459
  633    HA   LYS  90           HA       LYS  90 -15.552   3.644   1.049
  634   1HB   LYS  90          1HB       LYS  90 -12.593   3.497   1.000
  635   2HB   LYS  90          2HB       LYS  90 -13.272   5.071   0.639
  636   1HG   LYS  90          1HG       LYS  90 -13.986   5.389   2.786
  637   2HG   LYS  90          2HG       LYS  90 -14.637   3.767   2.907
  638   1HD   LYS  90          1HD       LYS  90 -12.390   2.847   3.353
  639   2HD   LYS  90          2HD       LYS  90 -11.659   4.418   3.095
  640   1HE   LYS  90          1HE       LYS  90 -13.251   3.424   5.441
  641   2HE   LYS  90          2HE       LYS  90 -11.821   4.437   5.420
  642   1HZ   LYS  90          1HZ       LYS  90 -13.210   6.228   4.562
  643   2HZ   LYS  90          2HZ       LYS  90 -14.535   5.280   4.674
  644   3HZ   LYS  90          3HZ       LYS  90 -13.724   5.712   6.023
  645    H    ALA  91           H        ALA  91 -16.910   3.366  -0.873
  646    HA   ALA  91           HA       ALA  91 -16.335   5.300  -2.818
  647   1HB   ALA  91          1HB       ALA  91 -15.642   2.442  -3.453
  648   2HB   ALA  91          3HB       ALA  91 -14.830   3.946  -3.951
  649   3HB   ALA  91          2HB       ALA  91 -16.354   3.459  -4.729
  650    H    GLY  92           H        GLY  92 -17.969   2.080  -2.383
  651   1HA   GLY  92          2HA       GLY  92 -20.539   3.466  -2.809
  652   2HA   GLY  92          1HA       GLY  92 -20.295   2.007  -1.870
  653    H    ASP  93           H        ASP  93 -21.216   3.268  -4.911
  654    HA   ASP  93           HA       ASP  93 -20.574   0.780  -6.253
  655   1HB   ASP  93          1HB       ASP  93 -22.840   0.447  -5.403
  656   2HB   ASP  93          2HB       ASP  93 -23.340   2.031  -5.962
  657    H    ASP  94           H        ASP  94 -19.235   3.210  -6.641
  658    HA   ASP  94           HA       ASP  94 -20.573   4.506  -8.853
  659   1HB   ASP  94          1HB       ASP  94 -19.429   5.777  -6.926
  660   2HB   ASP  94          2HB       ASP  94 -17.899   5.215  -7.569
  661    H    LYS  95           H        LYS  95 -18.727   5.253 -10.626
  662    HA   LYS  95           HA       LYS  95 -17.290   2.784 -11.305
  663   1HB   LYS  95          1HB       LYS  95 -18.204   4.953 -13.210
  664   2HB   LYS  95          2HB       LYS  95 -17.565   3.373 -13.616
  665   1HG   LYS  95          1HG       LYS  95 -20.211   3.969 -12.216
  666   2HG   LYS  95          2HG       LYS  95 -20.001   3.312 -13.828
  667   1HD   LYS  95          1HD       LYS  95 -18.936   1.269 -12.869
  668   2HD   LYS  95          2HD       LYS  95 -19.107   1.928 -11.254
  669   1HE   LYS  95          1HE       LYS  95 -21.590   1.762 -12.957
  670   2HE   LYS  95          2HE       LYS  95 -20.945   0.262 -12.320
  671   1HZ   LYS  95          1HZ       LYS  95 -21.194   2.493 -10.490
  672   2HZ   LYS  95          2HZ       LYS  95 -22.566   1.735 -10.946
  673   3HZ   LYS  95          3HZ       LYS  95 -21.375   0.895 -10.209
  674    H    GLU  96           H        GLU  96 -17.069   6.350 -11.995
  675    HA   GLU  96           HA       GLU  96 -14.404   6.355 -12.517
  676   1HB   GLU  96          1HB       GLU  96 -16.344   8.428 -11.498
  677   2HB   GLU  96          2HB       GLU  96 -14.641   8.837 -11.553
  678   1HG   GLU  96          1HG       GLU  96 -16.243   7.772 -13.927
  679   2HG   GLU  96          2HG       GLU  96 -15.876   9.463 -13.656
  680    H    LEU  97           H        LEU  97 -16.098   6.271  -9.390
  681    HA   LEU  97           HA       LEU  97 -13.651   6.800  -7.940
  682   1HB   LEU  97          1HB       LEU  97 -16.321   7.268  -7.461
  683   2HB   LEU  97          2HB       LEU  97 -15.995   5.877  -6.447
  684    HG   LEU  97           HG       LEU  97 -14.291   8.375  -6.378
  685   1HD1  LEU  97          1HD1      LEU  97 -16.836   7.746  -4.886
  686   2HD1  LEU  97          2HD1      LEU  97 -15.610   8.863  -4.241
  687   3HD1  LEU  97          3HD1      LEU  97 -16.402   9.212  -5.796
  688   1HD2  LEU  97          1HD2      LEU  97 -14.546   5.934  -4.627
  689   2HD2  LEU  97          2HD2      LEU  97 -13.096   6.616  -5.402
  690   3HD2  LEU  97          3HD2      LEU  97 -13.848   7.457  -4.026
  691    H    LYS  98           H        LYS  98 -15.430   4.120  -9.285
  692    HA   LYS  98           HA       LYS  98 -14.291   2.210  -7.445
  693   1HB   LYS  98          1HB       LYS  98 -16.482   1.692  -8.128
  694   2HB   LYS  98          2HB       LYS  98 -16.153   2.052  -9.811
  695   1HG   LYS  98          1HG       LYS  98 -15.377  -0.051 -10.216
  696   2HG   LYS  98          2HG       LYS  98 -14.337  -0.025  -8.806
  697   1HD   LYS  98          1HD       LYS  98 -17.185  -0.206  -8.065
  698   2HD   LYS  98          2HD       LYS  98 -16.696  -1.528  -9.107
  699   1HE   LYS  98          1HE       LYS  98 -14.639  -1.785  -7.521
  700   2HE   LYS  98          2HE       LYS  98 -15.509  -0.740  -6.417
  701   1HZ   LYS  98          1HZ       LYS  98 -17.398  -2.455  -6.973
  702   2HZ   LYS  98          2HZ       LYS  98 -16.120  -3.439  -7.228
  703   3HZ   LYS  98          3HZ       LYS  98 -16.318  -2.717  -5.777
  704    H    LYS  99           H        LYS  99 -13.631   3.652 -10.614
  705    HA   LYS  99           HA       LYS  99 -11.661   1.635 -11.239
  706   1HB   LYS  99          1HB       LYS  99 -11.698   2.466 -13.355
  707   2HB   LYS  99          2HB       LYS  99 -13.276   3.019 -12.830
  708   1HG   LYS  99          1HG       LYS  99 -11.758   5.120 -11.964
  709   2HG   LYS  99          2HG       LYS  99 -10.771   4.594 -13.313
  710   1HD   LYS  99          1HD       LYS  99 -13.755   4.894 -13.716
  711   2HD   LYS  99          2HD       LYS  99 -12.758   6.335 -13.680
  712   1HE   LYS  99          1HE       LYS  99 -11.886   4.021 -15.421
  713   2HE   LYS  99          2HE       LYS  99 -13.207   5.032 -15.973
  714   1HZ   LYS  99          1HZ       LYS  99 -10.813   6.343 -14.993
  715   2HZ   LYS  99          2HZ       LYS  99 -10.753   5.645 -16.468
  716   3HZ   LYS  99          3HZ       LYS  99 -11.849   6.816 -16.163
  717    H    LYS 100           H        LYS 100 -11.900   4.700  -9.568
  718    HA   LYS 100           HA       LYS 100  -8.972   4.905  -9.605
  719   1HB   LYS 100          1HB       LYS 100 -10.835   6.823 -10.257
  720   2HB   LYS 100          2HB       LYS 100 -10.510   7.196  -8.576
  721   1HG   LYS 100          1HG       LYS 100  -8.064   7.250  -9.040
  722   2HG   LYS 100          2HG       LYS 100  -8.359   6.820 -10.713
  723   1HD   LYS 100          1HD       LYS 100  -8.005   9.310 -10.293
  724   2HD   LYS 100          2HD       LYS 100  -9.471   8.912 -11.168
  725   1HE   LYS 100          1HE       LYS 100  -9.730   8.991  -8.185
  726   2HE   LYS 100          2HE       LYS 100  -9.415  10.532  -8.957
  727   1HZ   LYS 100          1HZ       LYS 100 -11.308   9.346 -10.505
  728   2HZ   LYS 100          2HZ       LYS 100 -11.775   8.996  -8.979
  729   3HZ   LYS 100          3HZ       LYS 100 -11.553  10.550  -9.429
  730    H    LEU 101           H        LEU 101  -8.601   3.299  -8.003
  731    HA   LEU 101           HA       LEU 101  -8.211   4.018  -5.502
  732   1HB   LEU 101          1HB       LEU 101 -11.111   3.706  -5.903
  733   2HB   LEU 101          2HB       LEU 101 -10.469   2.845  -4.519
  734    HG   LEU 101           HG       LEU 101 -11.155   5.581  -4.723
  735   1HD1  LEU 101          1HD1      LEU 101 -11.043   3.703  -2.791
  736   2HD1  LEU 101          2HD1      LEU 101  -9.618   4.678  -2.357
  737   3HD1  LEU 101          3HD1      LEU 101 -11.221   5.445  -2.472
  738   1HD2  LEU 101          1HD2      LEU 101  -8.814   5.834  -5.651
  739   2HD2  LEU 101          2HD2      LEU 101  -9.196   6.806  -4.209
  740   3HD2  LEU 101          3HD2      LEU 101  -8.219   5.326  -4.052
  741    H    THR 102           H        THR 102  -9.395   1.600  -7.770
  742    HA   THR 102           HA       THR 102  -7.706  -0.368  -6.414
  743    HB   THR 102           HB       THR 102  -9.483  -2.045  -6.526
  744    HG1  THR 102           HG1      THR 102 -11.316  -1.562  -7.774
  745   1HG2  THR 102          1HG2      THR 102  -9.663  -0.237  -4.646
  746   2HG2  THR 102          2HG2      THR 102 -10.946   0.483  -5.648
  747   3HG2  THR 102          3HG2      THR 102 -11.132  -1.171  -5.015
  748    H    GLY 103           H        GLY 103  -9.610   0.560  -9.333
  749   1HA   GLY 103          2HA       GLY 103  -8.940   0.520 -11.500
  750   2HA   GLY 103          1HA       GLY 103  -8.821  -1.200 -11.188
  751    H    CYS 104           H        CYS 104  -7.094  -1.169 -12.871
  752    HA   CYS 104           HA       CYS 104  -4.548  -0.471 -11.620
  753   1HB   CYS 104          1HB       CYS 104  -4.620  -2.194 -14.035
  754   2HB   CYS 104          2HB       CYS 104  -3.579  -2.261 -12.626
  755    H    LYS 105           H        LYS 105  -5.685  -0.934 -15.044
  756    HA   LYS 105           HA       LYS 105  -4.088   1.277 -15.897
  757   1HB   LYS 105          1HB       LYS 105  -4.227  -0.609 -17.345
  758   2HB   LYS 105          2HB       LYS 105  -5.979  -0.624 -17.295
  759   1HG   LYS 105          1HG       LYS 105  -5.753   1.843 -18.259
  760   2HG   LYS 105          2HG       LYS 105  -4.145   1.321 -18.719
  761   1HD   LYS 105          1HD       LYS 105  -4.934  -0.249 -20.263
  762   2HD   LYS 105          2HD       LYS 105  -6.432  -0.517 -19.394
  763   1HE   LYS 105          1HE       LYS 105  -6.679   0.760 -21.589
  764   2HE   LYS 105          2HE       LYS 105  -7.392   1.548 -20.195
  765   1HZ   LYS 105          1HZ       LYS 105  -4.634   2.177 -20.798
  766   2HZ   LYS 105          2HZ       LYS 105  -5.772   2.788 -21.797
  767   3HZ   LYS 105          3HZ       LYS 105  -5.813   3.137 -20.202
  768    H    GLY 106           H        GLY 106  -4.801   3.190 -14.949
  769   1HA   GLY 106          2HA       GLY 106  -7.513   4.028 -15.772
  770   2HA   GLY 106          1HA       GLY 106  -6.127   5.088 -15.608
  771    H    SER 107           H        SER 107  -5.128   3.757 -13.112
  772    HA   SER 107           HA       SER 107  -7.122   4.924 -11.342
  773   1HB   SER 107          1HB       SER 107  -7.442   2.968 -10.265
  774   2HB   SER 107          2HB       SER 107  -6.456   2.169 -11.474
  775    HG   SER 107           HG       SER 107  -4.699   2.204 -10.156
  776    H    ALA 108           H        ALA 108  -6.129   5.567  -9.166
  777    HA   ALA 108           HA       ALA 108  -3.993   7.225  -9.489
  778   1HB   ALA 108          2HB       ALA 108  -4.260   5.969  -6.810
  779   2HB   ALA 108          1HB       ALA 108  -5.764   6.630  -7.496
  780   3HB   ALA 108          3HB       ALA 108  -4.344   7.682  -7.285
  781    H    CYS 109           H        CYS 109  -4.036   3.729  -9.141
  782    HA   CYS 109           HA       CYS 109  -1.124   3.791  -8.818
  783   1HB   CYS 109          1HB       CYS 109  -3.050   1.552  -8.111
  784   2HB   CYS 109          2HB       CYS 109  -1.307   1.493  -7.937
  785    H    HIS 110           H        HIS 110   0.086   2.716 -10.317
  786    HA   HIS 110           HA       HIS 110   0.688   1.921 -12.381
  787   1HB   HIS 110          1HB       HIS 110  -1.841   0.209 -12.211
  788   2HB   HIS 110          2HB       HIS 110  -0.258  -0.168 -13.018
  789    HD1  HIS 110           HD1      HIS 110   1.594   0.444 -10.661
  790    HD2  HIS 110           HD2      HIS 110  -1.912  -1.810 -10.352
  791    HE1  HIS 110           HE1      HIS 110   1.893  -1.070  -8.597
  792    HA   PRO 111           HA       PRO 111  -2.337   4.554 -14.635
  793   1HB   PRO 111          1HB       PRO 111  -0.928   6.874 -14.744
  794   2HB   PRO 111          2HB       PRO 111  -1.819   6.389 -13.265
  795   1HG   PRO 111          1HG       PRO 111   1.008   6.099 -14.038
  796   2HG   PRO 111          2HG       PRO 111   0.567   6.584 -12.368
  797   1HD   PRO 111          1HD       PRO 111   1.345   4.010 -13.090
  798   2HD   PRO 111          2HD       PRO 111   0.223   4.346 -11.737
  799    H    SER 112           H        SER 112  -2.291   4.734 -16.922
  800    HA   SER 112           HA       SER 112  -0.161   5.313 -18.441
  801   1HB   SER 112          1HB       SER 112   0.278   2.789 -19.275
  802   2HB   SER 112          2HB       SER 112   1.245   3.542 -18.023
  803    HG   SER 112           HG       SER 112  -0.107   1.291 -17.792

  No H/Q in entry =         803
  Start of MODEL   10
    1    H1   VAL   1           H1       VAL   1   7.798  10.805  14.068
    2    H2   VAL   1           H2       VAL   1   9.323  10.243  13.754
    3    H3   VAL   1           H3       VAL   1   8.933  10.775  15.273
    4    HA   VAL   1           HA       VAL   1   9.101  12.890  14.804
    5    HB   VAL   1           HB       VAL   1  11.269  12.518  14.387
    6   1HG1  VAL   1          1HG1      VAL   1  10.268  10.358  12.579
    7   2HG1  VAL   1          2HG1      VAL   1  11.923  10.960  12.323
    8   3HG1  VAL   1          3HG1      VAL   1  11.455  10.287  13.903
    9   1HG2  VAL   1          1HG2      VAL   1  10.283  14.156  12.571
   10   2HG2  VAL   1          2HG2      VAL   1  11.985  13.641  12.501
   11   3HG2  VAL   1          3HG2      VAL   1  10.778  12.868  11.446
   12    H    ASP   2           H        ASP   2   6.963  13.529  14.229
   13    HA   ASP   2           HA       ASP   2   5.302  14.076  12.906
   14   1HB   ASP   2          1HB       ASP   2   7.330  15.800  12.567
   15   2HB   ASP   2          2HB       ASP   2   7.299  15.186  10.926
   16    H    VAL   3           H        VAL   3   5.257  14.555  10.000
   17    HA   VAL   3           HA       VAL   3   6.137  12.088   8.780
   18    HB   VAL   3           HB       VAL   3   3.901  11.678   9.916
   19   1HG1  VAL   3          1HG1      VAL   3   3.183  14.063   8.707
   20   2HG1  VAL   3          2HG1      VAL   3   2.410  12.838   7.673
   21   3HG1  VAL   3          3HG1      VAL   3   2.067  12.873   9.420
   22   1HG2  VAL   3          1HG2      VAL   3   4.926  10.371   7.979
   23   2HG2  VAL   3          2HG2      VAL   3   3.163  10.236   8.186
   24   3HG2  VAL   3          3HG2      VAL   3   3.832  11.287   6.915
   25    HA   PRO   4           HA       PRO   4   6.121  15.758   6.031
   26   1HB   PRO   4          1HB       PRO   4   8.712  16.464   6.051
   27   2HB   PRO   4          2HB       PRO   4   7.676  16.816   7.473
   28   1HG   PRO   4          1HG       PRO   4   9.757  14.426   7.387
   29   2HG   PRO   4          2HG       PRO   4   9.155  15.669   8.531
   30   1HD   PRO   4          1HD       PRO   4   8.170  12.941   8.056
   31   2HD   PRO   4          2HD       PRO   4   7.584  14.135   9.253
   32    H    ALA   5           H        ALA   5   8.184  16.009   4.143
   33    HA   ALA   5           HA       ALA   5   9.285  14.978   2.483
   34   1HB   ALA   5          2HB       ALA   5   8.401  12.227   3.312
   35   2HB   ALA   5          3HB       ALA   5   9.951  12.764   2.621
   36   3HB   ALA   5          1HB       ALA   5   9.580  13.089   4.331
   37    H    ASP   6           H        ASP   6   8.669  13.642   0.447
   38    HA   ASP   6           HA       ASP   6   5.951  12.993   0.148
   39   1HB   ASP   6          1HB       ASP   6   6.738  15.266  -1.661
   40   2HB   ASP   6          2HB       ASP   6   5.139  14.774  -1.141
   41    H    GLY   7           H        GLY   7   5.549  12.574  -2.379
   42   1HA   GLY   7          2HA       GLY   7   7.741  12.420  -4.143
   43   2HA   GLY   7          1HA       GLY   7   6.193  11.615  -4.308
   44    H    ALA   8           H        ALA   8   6.175  10.022  -1.925
   45    HA   ALA   8           HA       ALA   8   8.594   8.570  -1.678
   46   1HB   ALA   8          1HB       ALA   8   5.904   8.622  -0.527
   47   2HB   ALA   8          3HB       ALA   8   7.445   8.121   0.209
   48   3HB   ALA   8          2HB       ALA   8   6.500   6.961  -0.755
   49    H    LYS   9           H        LYS   9   9.243   7.966  -3.810
   50    HA   LYS   9           HA       LYS   9   7.478   6.581  -5.534
   51   1HB   LYS   9          1HB       LYS   9   9.777   7.926  -5.898
   52   2HB   LYS   9          2HB       LYS   9  10.431   6.302  -5.827
   53   1HG   LYS   9          1HG       LYS   9   9.893   6.794  -8.150
   54   2HG   LYS   9          2HG       LYS   9   8.762   5.583  -7.578
   55   1HD   LYS   9          1HD       LYS   9   6.952   7.055  -7.581
   56   2HD   LYS   9          2HD       LYS   9   7.947   8.457  -7.241
   57   1HE   LYS   9          1HE       LYS   9   8.745   8.564  -9.532
   58   2HE   LYS   9          2HE       LYS   9   8.087   6.984  -9.908
   59   1HZ   LYS   9          1HZ       LYS   9   6.478   9.331  -9.171
   60   2HZ   LYS   9          2HZ       LYS   9   6.686   8.773 -10.692
   61   3HZ   LYS   9          3HZ       LYS   9   5.891   7.866  -9.591
   62    H    ILE  10           H        ILE  10   6.618   4.633  -5.049
   63    HA   ILE  10           HA       ILE  10   8.263   2.789  -3.493
   64    HB   ILE  10           HB       ILE  10   5.318   2.734  -4.161
   65   1HG1  ILE  10          1HG1      ILE  10   6.727   3.529  -1.596
   66   2HG1  ILE  10          2HG1      ILE  10   5.949   4.630  -2.714
   67   1HG2  ILE  10          1HG2      ILE  10   7.027   0.659  -3.289
   68   2HG2  ILE  10          2HG2      ILE  10   6.058   1.156  -1.881
   69   3HG2  ILE  10          3HG2      ILE  10   5.250   0.659  -3.387
   70   1HD1  ILE  10          1HD1      ILE  10   3.830   3.094  -2.381
   71   2HD1  ILE  10          2HD1      ILE  10   4.682   2.552  -0.915
   72   3HD1  ILE  10          3HD1      ILE  10   4.261   4.270  -1.116
   73    H    ASP  11           H        ASP  11   9.480   1.358  -4.594
   74    HA   ASP  11           HA       ASP  11   8.259  -0.067  -6.737
   75   1HB   ASP  11          1HB       ASP  11   9.096   1.728  -8.090
   76   2HB   ASP  11          2HB       ASP  11  10.582   1.843  -7.169
   77    H    PHE  12           H        PHE  12   8.733  -1.542  -4.755
   78    HA   PHE  12           HA       PHE  12  11.540  -2.154  -4.385
   79   1HB   PHE  12          1HB       PHE  12   8.868  -3.133  -3.220
   80   2HB   PHE  12          2HB       PHE  12  10.406  -3.799  -2.706
   81    HD1  PHE  12           HD1      PHE  12  12.128  -2.154  -1.725
   82    HD2  PHE  12           HD2      PHE  12   8.016  -1.219  -2.191
   83    HE1  PHE  12           HE1      PHE  12  12.351  -0.326  -0.019
   84    HE2  PHE  12           HE2      PHE  12   8.238   0.609  -0.485
   85    HZ   PHE  12           HZ       PHE  12  10.403   1.034   0.580
   86    H    ILE  13           H        ILE  13   8.701  -3.331  -6.118
   87    HA   ILE  13           HA       ILE  13   9.969  -5.914  -6.563
   88    HB   ILE  13           HB       ILE  13   7.277  -4.895  -7.473
   89   1HG1  ILE  13          1HG1      ILE  13   8.155  -6.196  -4.908
   90   2HG1  ILE  13          2HG1      ILE  13   7.105  -4.814  -5.148
   91   1HG2  ILE  13          1HG2      ILE  13   8.396  -6.861  -8.678
   92   2HG2  ILE  13          2HG2      ILE  13   8.141  -7.768  -7.168
   93   3HG2  ILE  13          3HG2      ILE  13   6.747  -7.101  -8.051
   94   1HD1  ILE  13          1HD1      ILE  13   6.423  -7.690  -5.918
   95   2HD1  ILE  13          2HD1      ILE  13   5.808  -6.825  -4.488
   96   3HD1  ILE  13          3HD1      ILE  13   5.354  -6.281  -6.121
   97    H    ALA  14           H        ALA  14  11.675  -5.661  -7.964
   98    HA   ALA  14           HA       ALA  14  11.410  -3.889 -10.217
   99   1HB   ALA  14          1HB       ALA  14  13.591  -5.831  -9.351
  100   2HB   ALA  14          3HB       ALA  14  13.535  -4.084  -9.010
  101   3HB   ALA  14          2HB       ALA  14  13.729  -4.658 -10.683
  102    H    GLY  15           H        GLY  15  11.953  -4.745 -12.473
  103   1HA   GLY  15          2HA       GLY  15  10.044  -6.609 -13.272
  104   2HA   GLY  15          1HA       GLY  15  11.559  -7.472 -13.099
  105    H    GLY  16           H        GLY  16  11.090  -7.703 -15.552
  106   1HA   GLY  16          2HA       GLY  16  11.616  -7.193 -17.676
  107   2HA   GLY  16          1HA       GLY  16  12.943  -6.260 -17.013
  108    H    GLU  17           H        GLU  17  11.699  -5.415 -19.371
  109    HA   GLU  17           HA       GLU  17  11.319  -2.827 -19.037
  110   1HB   GLU  17          1HB       GLU  17  11.415  -3.942 -21.236
  111   2HB   GLU  17          2HB       GLU  17   9.814  -4.613 -20.999
  112   1HG   GLU  17          1HG       GLU  17   8.851  -2.313 -20.904
  113   2HG   GLU  17          2HG       GLU  17  10.451  -1.626 -21.101
  114    H    LYS  18           H        LYS  18   9.384  -1.368 -19.056
  115    HA   LYS  18           HA       LYS  18   7.465  -0.648 -18.237
  116   1HB   LYS  18          1HB       LYS  18   6.790  -3.460 -18.942
  117   2HB   LYS  18          2HB       LYS  18   5.679  -2.636 -17.867
  118   1HG   LYS  18          1HG       LYS  18   4.778  -1.638 -19.695
  119   2HG   LYS  18          2HG       LYS  18   6.254  -0.703 -19.834
  120   1HD   LYS  18          1HD       LYS  18   7.004  -1.914 -21.629
  121   2HD   LYS  18          2HD       LYS  18   6.524  -3.444 -20.923
  122   1HE   LYS  18          1HE       LYS  18   4.119  -2.917 -21.519
  123   2HE   LYS  18          2HE       LYS  18   4.667  -1.454 -22.314
  124   1HZ   LYS  18          1HZ       LYS  18   6.055  -3.829 -23.110
  125   2HZ   LYS  18          2HZ       LYS  18   4.470  -3.816 -23.502
  126   3HZ   LYS  18          3HZ       LYS  18   5.450  -2.618 -24.024
  127    H    ASN  19           H        ASN  19   8.810  -0.110 -16.342
  128    HA   ASN  19           HA       ASN  19   8.734  -1.947 -14.171
  129   1HB   ASN  19          1HB       ASN  19  10.042  -0.269 -12.983
  130   2HB   ASN  19          2HB       ASN  19  10.635  -0.305 -14.631
  131   2HD2  ASN  19          1HD2      ASN  19  10.491   1.775 -12.448
  132   1HD2  ASN  19          2HD2      ASN  19   9.815   3.185 -13.191
  133    H    LEU  20           H        LEU  20   7.379  -1.767 -12.299
  134    HA   LEU  20           HA       LEU  20   5.140   0.074 -12.616
  135   1HB   LEU  20          1HB       LEU  20   5.507  -2.336 -10.831
  136   2HB   LEU  20          2HB       LEU  20   4.060  -1.352 -10.922
  137    HG   LEU  20           HG       LEU  20   5.052  -3.454 -12.743
  138   1HD1  LEU  20          1HD1      LEU  20   2.869  -3.165 -11.190
  139   2HD1  LEU  20          2HD1      LEU  20   2.224  -2.568 -12.737
  140   3HD1  LEU  20          3HD1      LEU  20   2.924  -4.201 -12.636
  141   1HD2  LEU  20          1HD2      LEU  20   3.856  -0.896 -13.827
  142   2HD2  LEU  20          2HD2      LEU  20   5.382  -1.687 -14.293
  143   3HD2  LEU  20          3HD2      LEU  20   3.825  -2.446 -14.703
  144    H    THR  21           H        THR  21   4.839   1.827 -11.319
  145    HA   THR  21           HA       THR  21   6.342   1.942  -8.813
  146    HB   THR  21           HB       THR  21   6.332   4.325 -10.693
  147    HG1  THR  21           HG1      THR  21   7.695   3.157 -11.985
  148   1HG2  THR  21          1HG2      THR  21   7.335   4.033  -8.167
  149   2HG2  THR  21          2HG2      THR  21   8.711   3.404  -9.105
  150   3HG2  THR  21          3HG2      THR  21   8.118   5.057  -9.394
  151    H    VAL  22           H        VAL  22   5.478   3.416  -7.249
  152    HA   VAL  22           HA       VAL  22   2.887   4.552  -7.942
  153    HB   VAL  22           HB       VAL  22   3.412   2.379  -5.945
  154   1HG1  VAL  22          1HG1      VAL  22   1.735   4.764  -5.523
  155   2HG1  VAL  22          2HG1      VAL  22   0.878   3.221  -5.297
  156   3HG1  VAL  22          3HG1      VAL  22   2.349   3.568  -4.356
  157   1HG2  VAL  22          1HG2      VAL  22   2.462   1.889  -8.207
  158   2HG2  VAL  22          2HG2      VAL  22   1.400   1.413  -6.860
  159   3HG2  VAL  22          3HG2      VAL  22   1.053   2.893  -7.786
  160    H    VAL  23           H        VAL  23   2.679   6.576  -7.102
  161    HA   VAL  23           HA       VAL  23   4.786   7.431  -5.283
  162    HB   VAL  23           HB       VAL  23   2.813   8.838  -7.072
  163   1HG1  VAL  23          1HG1      VAL  23   4.661  10.097  -5.017
  164   2HG1  VAL  23          2HG1      VAL  23   3.782  10.981  -6.287
  165   3HG1  VAL  23          3HG1      VAL  23   2.882  10.128  -5.011
  166   1HG2  VAL  23          1HG2      VAL  23   5.117   7.809  -7.808
  167   2HG2  VAL  23          2HG2      VAL  23   4.628   9.421  -8.382
  168   3HG2  VAL  23          3HG2      VAL  23   5.786   9.268  -7.039
  169    H    PHE  24           H        PHE  24   4.427   8.028  -3.171
  170    HA   PHE  24           HA       PHE  24   1.640   7.799  -2.276
  171   1HB   PHE  24          1HB       PHE  24   3.256   6.044  -1.455
  172   2HB   PHE  24          2HB       PHE  24   4.353   7.297  -0.909
  173    HD1  PHE  24           HD1      PHE  24   3.307   8.997   0.828
  174    HD2  PHE  24           HD2      PHE  24   1.811   5.097   0.079
  175    HE1  PHE  24           HE1      PHE  24   2.192   8.992   3.077
  176    HE2  PHE  24           HE2      PHE  24   0.696   5.092   2.327
  177    HZ   PHE  24           HZ       PHE  24   0.900   7.040   3.800
  178    H    ASN  25           H        ASN  25   0.902   9.270  -0.619
  179    HA   ASN  25           HA       ASN  25   2.695  11.483  -0.099
  180   1HB   ASN  25          1HB       ASN  25  -0.188  12.138  -0.720
  181   2HB   ASN  25          2HB       ASN  25   1.235  13.140  -0.923
  182   2HD2  ASN  25          1HD2      ASN  25   1.071  13.688  -2.999
  183   1HD2  ASN  25          2HD2      ASN  25   1.094  12.594  -4.343
  184    H    HIS  26           H        HIS  26   2.675  11.732   2.052
  185    HA   HIS  26           HA       HIS  26   0.765  10.424   3.784
  186   1HB   HIS  26          1HB       HIS  26   3.155  12.275   4.111
  187   2HB   HIS  26          2HB       HIS  26   2.073  11.923   5.526
  188    HD1  HIS  26           HD1      HIS  26   4.586  10.378   3.251
  189    HD2  HIS  26           HD2      HIS  26   2.338   9.342   6.620
  190    HE1  HIS  26           HE1      HIS  26   5.584   8.170   4.130
  191    H    SER  27           H        SER  27   0.522  13.256   1.911
  192    HA   SER  27           HA       SER  27  -1.124  14.598   3.872
  193   1HB   SER  27          1HB       SER  27  -1.211  16.428   2.162
  194   2HB   SER  27          2HB       SER  27   0.423  16.017   2.643
  195    HG   SER  27           HG       SER  27  -0.735  14.715   0.364
  196    H    THR  28           H        THR  28  -1.953  11.988   2.770
  197    HA   THR  28           HA       THR  28  -4.581  12.752   1.903
  198    HB   THR  28           HB       THR  28  -4.277  11.199  -0.195
  199    HG1  THR  28           HG1      THR  28  -2.180  10.436  -0.001
  200   1HG2  THR  28          1HG2      THR  28  -4.281  13.885  -0.076
  201   2HG2  THR  28          2HG2      THR  28  -2.556  13.673  -0.460
  202   3HG2  THR  28          3HG2      THR  28  -3.799  13.046  -1.569
  203    H    HIS  29           H        HIS  29  -3.322  11.518   4.148
  204    HA   HIS  29           HA       HIS  29  -5.088   9.242   4.431
  205   1HB   HIS  29          1HB       HIS  29  -2.080   8.784   4.085
  206   2HB   HIS  29          2HB       HIS  29  -3.182   7.600   4.911
  207    HD1  HIS  29           HD1      HIS  29  -1.877   8.574   1.684
  208    HD2  HIS  29           HD2      HIS  29  -5.247   6.533   3.079
  209    HE1  HIS  29           HE1      HIS  29  -2.821   7.280  -0.336
  210    H    LYS  30           H        LYS  30  -4.610  11.833   5.708
  211    HA   LYS  30           HA       LYS  30  -3.283  11.198   8.195
  212   1HB   LYS  30          1HB       LYS  30  -3.228  13.442   8.570
  213   2HB   LYS  30          2HB       LYS  30  -3.350  13.465   6.822
  214   1HG   LYS  30          1HG       LYS  30  -5.022  14.998   7.500
  215   2HG   LYS  30          2HG       LYS  30  -5.931  13.536   7.172
  216   1HD   LYS  30          1HD       LYS  30  -6.692  13.502   9.305
  217   2HD   LYS  30          2HD       LYS  30  -5.050  13.392   9.908
  218   1HE   LYS  30          1HE       LYS  30  -6.034  16.096   8.997
  219   2HE   LYS  30          2HE       LYS  30  -6.643  15.475  10.519
  220   1HZ   LYS  30          1HZ       LYS  30  -3.802  15.243  10.126
  221   2HZ   LYS  30          2HZ       LYS  30  -4.368  16.766  10.295
  222   3HZ   LYS  30          3HZ       LYS  30  -4.639  15.659  11.465
  223    H    ASP  31           H        ASP  31  -6.570  11.507   6.833
  224    HA   ASP  31           HA       ASP  31  -7.782  11.386   9.393
  225   1HB   ASP  31          1HB       ASP  31  -9.815  11.586   8.236
  226   2HB   ASP  31          2HB       ASP  31  -8.698  12.375   7.140
  227    H    VAL  32           H        VAL  32  -5.993   9.168   7.734
  228    HA   VAL  32           HA       VAL  32  -7.785   6.911   7.932
  229    HB   VAL  32           HB       VAL  32  -5.077   7.485   6.838
  230   1HG1  VAL  32          1HG1      VAL  32  -5.962   4.790   7.867
  231   2HG1  VAL  32          2HG1      VAL  32  -4.849   4.930   6.485
  232   3HG1  VAL  32          3HG1      VAL  32  -4.396   5.612   8.065
  233   1HG2  VAL  32          1HG2      VAL  32  -7.516   5.980   5.836
  234   2HG2  VAL  32          2HG2      VAL  32  -6.986   7.611   5.358
  235   3HG2  VAL  32          3HG2      VAL  32  -6.006   6.192   4.918
  236    H    LYS  33           H        LYS  33  -4.394   7.413   9.132
  237    HA   LYS  33           HA       LYS  33  -4.708   7.397  11.765
  238   1HB   LYS  33          1HB       LYS  33  -5.602   4.793  10.726
  239   2HB   LYS  33          2HB       LYS  33  -4.396   4.667  11.991
  240   1HG   LYS  33          1HG       LYS  33  -5.769   5.629  13.604
  241   2HG   LYS  33          2HG       LYS  33  -6.596   6.657  12.450
  242   1HD   LYS  33          1HD       LYS  33  -8.203   5.081  11.993
  243   2HD   LYS  33          2HD       LYS  33  -7.052   3.759  11.991
  244   1HE   LYS  33          1HE       LYS  33  -6.961   4.100  14.590
  245   2HE   LYS  33          2HE       LYS  33  -8.422   5.044  14.383
  246   1HZ   LYS  33          1HZ       LYS  33  -9.012   2.887  12.976
  247   2HZ   LYS  33          2HZ       LYS  33  -8.035   2.215  14.100
  248   3HZ   LYS  33          3HZ       LYS  33  -9.364   3.045  14.563
  249    H    CYS  34           H        CYS  34  -2.691   7.434  12.733
  250    HA   CYS  34           HA       CYS  34  -0.490   7.340  10.974
  251   1HB   CYS  34          1HB       CYS  34  -0.830   8.818  13.031
  252   2HB   CYS  34          2HB       CYS  34  -0.350   7.429  13.986
  253    H    ASP  35           H        ASP  35  -1.689   5.295  13.720
  254    HA   ASP  35           HA       ASP  35   0.378   3.377  13.162
  255   1HB   ASP  35          1HB       ASP  35  -0.450   2.225  15.159
  256   2HB   ASP  35          2HB       ASP  35  -0.262   3.931  15.511
  257    H    ASP  36           H        ASP  36  -1.531   3.815  11.028
  258    HA   ASP  36           HA       ASP  36  -3.233   1.466  11.243
  259   1HB   ASP  36          1HB       ASP  36  -4.794   2.843  10.347
  260   2HB   ASP  36          2HB       ASP  36  -3.610   4.123  10.175
  261    H    CYS  37           H        CYS  37  -0.562   3.071   9.534
  262    HA   CYS  37           HA       CYS  37  -0.489   0.872   7.604
  263   1HB   CYS  37          1HB       CYS  37   0.621   3.686   7.475
  264   2HB   CYS  37          2HB       CYS  37   1.120   2.426   6.364
  265    H    HIS  38           H        HIS  38   1.161   2.713  10.091
  266    HA   HIS  38           HA       HIS  38   3.557   0.934   9.939
  267   1HB   HIS  38          1HB       HIS  38   3.085   3.589  11.406
  268   2HB   HIS  38          2HB       HIS  38   4.638   2.649  11.363
  269    HD1  HIS  38           HD1      HIS  38   5.525   2.305   8.797
  270    HD2  HIS  38           HD2      HIS  38   3.014   5.562   9.542
  271    HE1  HIS  38           HE1      HIS  38   5.914   3.969   6.866
  272    H    HIS  39           H        HIS  39   2.734  -0.891  10.853
  273    HA   HIS  39           HA       HIS  39   1.595  -0.749  13.599
  274   1HB   HIS  39          1HB       HIS  39   0.790  -2.946  13.237
  275   2HB   HIS  39          2HB       HIS  39   0.518  -2.040  11.686
  276    HD1  HIS  39           HD1      HIS  39   2.459  -4.838  13.192
  277    HD2  HIS  39           HD2      HIS  39   1.925  -3.039   9.457
  278    HE1  HIS  39           HE1      HIS  39   3.517  -6.434  11.467
  279    H    GLN  40           H        GLN  40   4.446  -0.068  13.062
  280    HA   GLN  40           HA       GLN  40   5.691  -2.324  14.425
  281   1HB   GLN  40          1HB       GLN  40   6.644  -0.366  12.388
  282   2HB   GLN  40          2HB       GLN  40   7.795  -0.736  13.656
  283   1HG   GLN  40          1HG       GLN  40   7.964  -2.270  11.655
  284   2HG   GLN  40          2HG       GLN  40   7.706  -3.115  13.168
  285   2HE2  GLN  40          1HE2      GLN  40   5.941  -1.638  10.460
  286   1HE2  GLN  40          2HE2      GLN  40   4.663  -2.803  10.364
  287    HA   PRO  41           HA       PRO  41   6.396   0.133  18.003
  288   1HB   PRO  41          1HB       PRO  41   8.820  -0.804  18.879
  289   2HB   PRO  41          2HB       PRO  41   7.343  -1.822  18.850
  290   1HG   PRO  41          1HG       PRO  41   9.547  -1.701  17.019
  291   2HG   PRO  41          2HG       PRO  41   8.719  -3.186  17.588
  292   1HD   PRO  41          1HD       PRO  41   8.266  -2.023  15.108
  293   2HD   PRO  41          2HD       PRO  41   7.000  -2.918  16.001
  294    H    GLY  42           H        GLY  42   7.266   2.173  18.582
  295   1HA   GLY  42          2HA       GLY  42   8.700   3.936  18.528
  296   2HA   GLY  42          1HA       GLY  42   8.320   3.874  16.818
  297    H    ASP  43           H        ASP  43  10.086   1.251  18.486
  298    HA   ASP  43           HA       ASP  43  12.625   2.050  18.289
  299   1HB   ASP  43          1HB       ASP  43  11.205  -0.558  18.120
  300   2HB   ASP  43          2HB       ASP  43  12.813  -0.586  17.424
  301    H    LYS  44           H        LYS  44  10.368   1.161  15.694
  302    HA   LYS  44           HA       LYS  44  12.007   2.278  13.705
  303   1HB   LYS  44          1HB       LYS  44  12.517  -0.504  14.290
  304   2HB   LYS  44          2HB       LYS  44  11.848  -0.353  12.677
  305   1HG   LYS  44          1HG       LYS  44  13.548   1.433  12.163
  306   2HG   LYS  44          2HG       LYS  44  14.234   1.219  13.761
  307   1HD   LYS  44          1HD       LYS  44  14.271  -0.692  11.414
  308   2HD   LYS  44          2HD       LYS  44  15.611  -0.142  12.399
  309   1HE   LYS  44          1HE       LYS  44  14.315  -1.384  14.364
  310   2HE   LYS  44          2HE       LYS  44  13.515  -2.229  13.054
  311   1HZ   LYS  44          1HZ       LYS  44  15.964  -2.486  12.247
  312   2HZ   LYS  44          2HZ       LYS  44  16.300  -2.306  13.835
  313   3HZ   LYS  44          3HZ       LYS  44  15.326  -3.519  13.339
  314    H    GLN  45           H        GLN  45   9.351   2.569  14.786
  315    HA   GLN  45           HA       GLN  45   7.422   1.213  13.418
  316   1HB   GLN  45          1HB       GLN  45   7.099   2.825  15.337
  317   2HB   GLN  45          2HB       GLN  45   7.338   4.154  14.220
  318   1HG   GLN  45          1HG       GLN  45   5.342   3.651  13.000
  319   2HG   GLN  45          2HG       GLN  45   5.239   2.030  13.658
  320   2HE2  GLN  45          1HE2      GLN  45   3.778   1.733  15.142
  321   1HE2  GLN  45          2HE2      GLN  45   3.152   2.901  16.258
  322    H    TYR  46           H        TYR  46   9.731   3.490  12.295
  323    HA   TYR  46           HA       TYR  46   8.216   3.931   9.770
  324   1HB   TYR  46          1HB       TYR  46  10.745   5.387  10.416
  325   2HB   TYR  46          2HB       TYR  46   9.305   5.942   9.547
  326    HD1  TYR  46           HD1      TYR  46   7.102   6.062  11.065
  327    HD2  TYR  46           HD2      TYR  46  11.136   6.247  12.528
  328    HE1  TYR  46           HE1      TYR  46   6.305   7.207  13.115
  329    HE2  TYR  46           HE2      TYR  46  10.339   7.393  14.578
  330    HH   TYR  46           HH       TYR  46   7.903   7.458  15.893
  331    H    ALA  47           H        ALA  47   9.825   1.432  10.673
  332    HA   ALA  47           HA       ALA  47  12.107   1.551   8.912
  333   1HB   ALA  47          1HB       ALA  47  10.891  -0.514  10.768
  334   2HB   ALA  47          3HB       ALA  47  12.453   0.327  10.910
  335   3HB   ALA  47          2HB       ALA  47  12.224  -0.920   9.661
  336    H    GLY  48           H        GLY  48  12.351   0.347   6.967
  337   1HA   GLY  48          2HA       GLY  48  11.695  -0.762   5.111
  338   2HA   GLY  48          1HA       GLY  48  10.330   0.335   5.170
  339    H    CYS  49           H        CYS  49   8.915  -1.284   4.254
  340    HA   CYS  49           HA       CYS  49   7.719  -2.909   6.260
  341   1HB   CYS  49          1HB       CYS  49   7.098  -2.881   3.304
  342   2HB   CYS  49          2HB       CYS  49   6.069  -3.440   4.608
  343    H    THR  50           H        THR  50   9.632  -3.389   3.222
  344    HA   THR  50           HA       THR  50   9.553  -6.194   3.247
  345    HB   THR  50           HB       THR  50  11.434  -5.919   1.623
  346    HG1  THR  50           HG1      THR  50  12.649  -4.082   1.896
  347   1HG2  THR  50          1HG2      THR  50   8.909  -4.940   1.206
  348   2HG2  THR  50          2HG2      THR  50   9.847  -3.434   1.063
  349   3HG2  THR  50          3HG2      THR  50  10.205  -4.810  -0.008
  350    H    THR  51           H        THR  51  12.363  -4.078   4.147
  351    HA   THR  51           HA       THR  51  14.212  -4.734   5.302
  352    HB   THR  51           HB       THR  51  12.284  -5.339   7.549
  353    HG1  THR  51           HG1      THR  51  11.256  -3.402   7.149
  354   1HG2  THR  51          1HG2      THR  51  14.901  -4.632   7.587
  355   2HG2  THR  51          2HG2      THR  51  14.191  -3.006   7.450
  356   3HG2  THR  51          3HG2      THR  51  13.761  -4.051   8.825
  357    H    ASP  52           H        ASP  52  13.722  -6.629   7.755
  358    HA   ASP  52           HA       ASP  52  14.075  -9.043   6.158
  359   1HB   ASP  52          1HB       ASP  52  16.108  -8.152   7.429
  360   2HB   ASP  52          2HB       ASP  52  15.235  -8.446   8.919
  361    H    GLY  53           H        GLY  53  12.943 -10.939   6.911
  362   1HA   GLY  53          2HA       GLY  53  11.830 -11.316   9.420
  363   2HA   GLY  53          1HA       GLY  53  11.306 -12.086   7.935
  364    H    CYS  54           H        CYS  54  10.444  -9.777   6.450
  365    HA   CYS  54           HA       CYS  54   8.039  -9.182   7.981
  366   1HB   CYS  54          1HB       CYS  54   9.533  -7.027   6.458
  367   2HB   CYS  54          2HB       CYS  54   8.080  -6.837   7.420
  368    H    HIS  55           H        HIS  55   8.082  -7.205   5.403
  369    HA   HIS  55           HA       HIS  55   6.740  -9.202   3.631
  370   1HB   HIS  55          1HB       HIS  55   6.585  -6.144   3.530
  371   2HB   HIS  55          2HB       HIS  55   5.512  -7.354   2.704
  372    HD1  HIS  55           HD1      HIS  55   3.838  -8.607   4.213
  373    HD2  HIS  55           HD2      HIS  55   5.814  -5.447   6.105
  374    HE1  HIS  55           HE1      HIS  55   2.486  -8.088   6.345
  375    H    ASN  56           H        ASN  56   9.287  -9.731   3.374
  376    HA   ASN  56           HA       ASN  56  10.524  -7.955   1.502
  377   1HB   ASN  56          1HB       ASN  56  11.703  -9.375   3.354
  378   2HB   ASN  56          2HB       ASN  56  11.473 -10.749   2.291
  379   2HD2  ASN  56          1HD2      ASN  56  13.961  -9.835   3.105
  380   1HD2  ASN  56          2HD2      ASN  56  14.848  -9.227   1.747
  381    H    ILE  57           H        ILE  57   9.208 -11.337   1.670
  382    HA   ILE  57           HA       ILE  57   9.782 -12.322  -0.752
  383    HB   ILE  57           HB       ILE  57   7.241 -12.491   0.854
  384   1HG1  ILE  57          1HG1      ILE  57   9.860 -13.726   0.982
  385   2HG1  ILE  57          2HG1      ILE  57   8.545 -13.762   2.140
  386   1HG2  ILE  57          1HG2      ILE  57   7.989 -14.074  -1.619
  387   2HG2  ILE  57          2HG2      ILE  57   6.660 -14.475  -0.504
  388   3HG2  ILE  57          3HG2      ILE  57   6.615 -12.958  -1.433
  389   1HD1  ILE  57          1HD1      ILE  57   8.672 -15.511  -0.359
  390   2HD1  ILE  57          2HD1      ILE  57   9.144 -16.040   1.273
  391   3HD1  ILE  57          3HD1      ILE  57   7.452 -15.601   0.934
  392    H    LEU  58           H        LEU  58   9.695 -11.520  -2.774
  393    HA   LEU  58           HA       LEU  58   7.574  -9.573  -3.330
  394   1HB   LEU  58          1HB       LEU  58  10.163 -10.010  -4.820
  395   2HB   LEU  58          2HB       LEU  58   8.999  -8.725  -5.075
  396    HG   LEU  58           HG       LEU  58  10.803  -9.120  -2.678
  397   1HD1  LEU  58          1HD1      LEU  58  11.210  -7.819  -5.118
  398   2HD1  LEU  58          2HD1      LEU  58  10.852  -6.519  -3.956
  399   3HD1  LEU  58          3HD1      LEU  58  12.179  -7.661  -3.634
  400   1HD2  LEU  58          1HD2      LEU  58   8.525  -8.386  -1.987
  401   2HD2  LEU  58          2HD2      LEU  58   9.806  -7.199  -1.641
  402   3HD2  LEU  58          3HD2      LEU  58   8.716  -6.954  -3.027
  403    H    ASP  59           H        ASP  59   6.805 -12.262  -3.205
  404    HA   ASP  59           HA       ASP  59   6.359 -12.741  -6.039
  405   1HB   ASP  59          1HB       ASP  59   8.038 -14.353  -4.863
  406   2HB   ASP  59          2HB       ASP  59   6.652 -14.970  -3.986
  407    H    LYS  60           H        LYS  60   4.201 -13.590  -6.496
  408    HA   LYS  60           HA       LYS  60   2.325 -13.090  -4.346
  409   1HB   LYS  60          1HB       LYS  60   1.506 -13.899  -7.114
  410   2HB   LYS  60          2HB       LYS  60   0.721 -12.810  -5.988
  411   1HG   LYS  60          1HG       LYS  60   1.662 -11.130  -7.207
  412   2HG   LYS  60          2HG       LYS  60   3.154 -11.534  -6.381
  413   1HD   LYS  60          1HD       LYS  60   4.076 -12.107  -8.369
  414   2HD   LYS  60          2HD       LYS  60   2.922 -13.418  -8.509
  415   1HE   LYS  60          1HE       LYS  60   1.582 -12.267  -9.992
  416   2HE   LYS  60          2HE       LYS  60   1.818 -10.731  -9.182
  417   1HZ   LYS  60          1HZ       LYS  60   4.209 -11.678 -10.361
  418   2HZ   LYS  60          2HZ       LYS  60   3.019 -11.525 -11.469
  419   3HZ   LYS  60          3HZ       LYS  60   3.456 -10.242 -10.558
  420    H    ALA  61           H        ALA  61   4.075 -15.716  -5.719
  421    HA   ALA  61           HA       ALA  61   2.189 -17.761  -5.555
  422   1HB   ALA  61          2HB       ALA  61   5.171 -17.976  -5.005
  423   2HB   ALA  61          1HB       ALA  61   4.492 -17.777  -6.639
  424   3HB   ALA  61          3HB       ALA  61   4.090 -19.220  -5.678
  425    H    ASP  62           H        ASP  62   4.917 -17.235  -3.215
  426    HA   ASP  62           HA       ASP  62   4.076 -18.792  -1.254
  427   1HB   ASP  62          1HB       ASP  62   5.812 -16.518  -1.507
  428   2HB   ASP  62          2HB       ASP  62   4.886 -16.282  -0.038
  429    H    LYS  63           H        LYS  63   2.081 -18.947  -0.218
  430    HA   LYS  63           HA       LYS  63   0.398 -16.582  -0.130
  431   1HB   LYS  63          1HB       LYS  63  -0.015 -19.430  -0.348
  432   2HB   LYS  63          2HB       LYS  63  -0.898 -18.815   1.035
  433   1HG   LYS  63          1HG       LYS  63  -2.131 -17.249  -0.291
  434   2HG   LYS  63          2HG       LYS  63  -1.007 -17.362  -1.632
  435   1HD   LYS  63          1HD       LYS  63  -3.269 -18.617  -1.862
  436   2HD   LYS  63          2HD       LYS  63  -1.816 -19.490  -2.307
  437   1HE   LYS  63          1HE       LYS  63  -1.761 -20.539  -0.024
  438   2HE   LYS  63          2HE       LYS  63  -3.233 -19.685   0.395
  439   1HZ   LYS  63          1HZ       LYS  63  -3.059 -21.479  -1.920
  440   2HZ   LYS  63          2HZ       LYS  63  -3.522 -21.988  -0.439
  441   3HZ   LYS  63          3HZ       LYS  63  -4.410 -20.870  -1.232
  442    H    SER  64           H        SER  64   1.734 -15.393   1.412
  443    HA   SER  64           HA       SER  64   0.985 -16.137   4.083
  444   1HB   SER  64          1HB       SER  64   3.200 -17.231   3.768
  445   2HB   SER  64          2HB       SER  64   3.903 -15.693   3.307
  446    HG   SER  64           HG       SER  64   3.344 -16.697   5.840
  447    H    VAL  65           H        VAL  65   1.812 -14.254   5.655
  448    HA   VAL  65           HA       VAL  65   1.102 -11.785   4.298
  449    HB   VAL  65           HB       VAL  65   0.012 -12.655   6.415
  450   1HG1  VAL  65          1HG1      VAL  65   2.468 -13.105   7.363
  451   2HG1  VAL  65          2HG1      VAL  65   2.254 -11.449   7.980
  452   3HG1  VAL  65          3HG1      VAL  65   1.095 -12.723   8.430
  453   1HG2  VAL  65          1HG2      VAL  65   0.612 -10.044   5.547
  454   2HG2  VAL  65          2HG2      VAL  65  -0.695 -10.550   6.644
  455   3HG2  VAL  65          3HG2      VAL  65   0.876 -10.039   7.307
  456    H    ASN  66           H        ASN  66   3.685 -12.985   3.682
  457    HA   ASN  66           HA       ASN  66   5.386 -10.980   4.945
  458   1HB   ASN  66          1HB       ASN  66   5.850 -13.874   4.231
  459   2HB   ASN  66          2HB       ASN  66   7.204 -12.785   4.005
  460   2HD2  ASN  66          1HD2      ASN  66   4.565 -13.040   6.389
  461   1HD2  ASN  66          2HD2      ASN  66   5.555 -13.064   7.810
  462    H    SER  67           H        SER  67   3.602 -11.410   2.299
  463    HA   SER  67           HA       SER  67   5.722 -10.911   0.380
  464   1HB   SER  67          1HB       SER  67   2.913 -11.957   0.218
  465   2HB   SER  67          2HB       SER  67   3.495 -11.045  -1.161
  466    HG   SER  67           HG       SER  67   4.607 -12.762  -1.763
  467    H    TRP  68           H        TRP  68   6.180  -8.791  -0.072
  468    HA   TRP  68           HA       TRP  68   4.819  -6.647   0.946
  469   1HB   TRP  68          1HB       TRP  68   7.049  -6.422   0.154
  470   2HB   TRP  68          2HB       TRP  68   6.604  -6.905  -1.471
  471    HD1  TRP  68           HD1      TRP  68   6.537  -4.840  -3.054
  472    HE1  TRP  68           HE1      TRP  68   5.949  -2.270  -2.946
  473    HE3  TRP  68           HE3      TRP  68   5.295  -4.794   1.877
  474    HZ2  TRP  68           HZ2      TRP  68   5.050  -0.545  -0.858
  475    HZ3  TRP  68           HZ3      TRP  68   4.572  -2.626   2.872
  476    HH2  TRP  68           HH2      TRP  68   4.440  -0.550   1.589
  477    H    TYR  69           H        TYR  69   4.480  -8.356  -2.159
  478    HA   TYR  69           HA       TYR  69   2.298  -6.617  -3.041
  479   1HB   TYR  69          1HB       TYR  69   3.944  -7.518  -4.630
  480   2HB   TYR  69          2HB       TYR  69   3.474  -9.169  -4.192
  481    HD1  TYR  69           HD1      TYR  69   2.307  -6.033  -5.813
  482    HD2  TYR  69           HD2      TYR  69   1.551 -10.207  -5.141
  483    HE1  TYR  69           HE1      TYR  69   0.544  -5.994  -7.557
  484    HE2  TYR  69           HE2      TYR  69  -0.212 -10.169  -6.885
  485    HH   TYR  69           HH       TYR  69  -0.604  -7.720  -9.135
  486    H    LYS  70           H        LYS  70   1.476  -7.574  -0.592
  487    HA   LYS  70           HA       LYS  70  -0.622  -9.413  -1.432
  488   1HB   LYS  70          1HB       LYS  70   1.320 -10.695  -0.387
  489   2HB   LYS  70          2HB       LYS  70   0.937  -9.885   1.118
  490   1HG   LYS  70          1HG       LYS  70  -0.499 -11.635   1.450
  491   2HG   LYS  70          2HG       LYS  70  -1.568 -10.751   0.379
  492   1HD   LYS  70          1HD       LYS  70  -0.823 -12.030  -1.557
  493   2HD   LYS  70          2HD       LYS  70   0.487 -12.759  -0.648
  494   1HE   LYS  70          1HE       LYS  70  -2.248 -13.155   0.503
  495   2HE   LYS  70          2HE       LYS  70  -1.956 -13.952  -1.030
  496   1HZ   LYS  70          1HZ       LYS  70   0.219 -14.655   0.152
  497   2HZ   LYS  70          2HZ       LYS  70  -0.631 -14.372   1.517
  498   3HZ   LYS  70          3HZ       LYS  70  -1.167 -15.471   0.434
  499    H    VAL  71           H        VAL  71   0.708  -7.567   1.407
  500    HA   VAL  71           HA       VAL  71  -1.899  -7.016   2.387
  501    HB   VAL  71           HB       VAL  71  -0.824  -5.989   4.138
  502   1HG1  VAL  71          1HG1      VAL  71  -0.004  -8.395   3.604
  503   2HG1  VAL  71          2HG1      VAL  71   1.537  -7.607   3.189
  504   3HG1  VAL  71          3HG1      VAL  71   0.867  -7.443   4.830
  505   1HG2  VAL  71          1HG2      VAL  71   1.079  -5.026   2.059
  506   2HG2  VAL  71          2HG2      VAL  71   0.336  -4.163   3.428
  507   3HG2  VAL  71          3HG2      VAL  71   1.723  -5.244   3.705
  508    H    VAL  72           H        VAL  72  -0.294  -5.943  -0.351
  509    HA   VAL  72           HA       VAL  72  -1.295  -3.214  -0.141
  510    HB   VAL  72           HB       VAL  72   0.552  -4.674  -2.017
  511   1HG1  VAL  72          1HG1      VAL  72  -1.149  -2.375  -2.620
  512   2HG1  VAL  72          2HG1      VAL  72   0.581  -2.012  -2.820
  513   3HG1  VAL  72          3HG1      VAL  72  -0.150  -3.375  -3.701
  514   1HG2  VAL  72          1HG2      VAL  72   1.045  -3.366   0.330
  515   2HG2  VAL  72          2HG2      VAL  72   2.227  -3.568  -0.986
  516   3HG2  VAL  72          3HG2      VAL  72   1.291  -2.060  -0.854
  517    H    HIS  73           H        HIS  73  -1.660  -6.235  -1.921
  518    HA   HIS  73           HA       HIS  73  -4.110  -5.133  -3.251
  519   1HB   HIS  73          1HB       HIS  73  -2.352  -7.511  -4.073
  520   2HB   HIS  73          2HB       HIS  73  -3.757  -6.814  -4.988
  521    HD1  HIS  73           HD1      HIS  73  -0.175  -6.225  -4.147
  522    HD2  HIS  73           HD2      HIS  73  -3.174  -4.517  -6.504
  523    HE1  HIS  73           HE1      HIS  73   1.002  -4.526  -5.687
  524    H    ASP  74           H        ASP  74  -3.557  -6.440  -0.432
  525    HA   ASP  74           HA       ASP  74  -4.982  -8.877  -0.593
  526   1HB   ASP  74          1HB       ASP  74  -3.651  -7.227   1.463
  527   2HB   ASP  74          2HB       ASP  74  -5.118  -7.970   2.067
  528    H    ALA  75           H        ALA  75  -6.896  -7.860  -1.812
  529    HA   ALA  75           HA       ALA  75  -8.497  -5.865  -1.035
  530   1HB   ALA  75          1HB       ALA  75  -9.077  -8.601  -2.183
  531   2HB   ALA  75          3HB       ALA  75  -9.079  -7.017  -2.996
  532   3HB   ALA  75          2HB       ALA  75 -10.397  -7.446  -1.879
  533    H    LYS  76           H        LYS  76  -8.010  -8.968   0.623
  534    HA   LYS  76           HA       LYS  76  -9.918  -8.049   2.660
  535   1HB   LYS  76          1HB       LYS  76 -10.266 -10.273   1.137
  536   2HB   LYS  76          2HB       LYS  76  -9.346 -10.953   2.464
  537   1HG   LYS  76          1HG       LYS  76 -12.068  -9.660   2.504
  538   2HG   LYS  76          2HG       LYS  76 -11.532 -11.132   3.290
  539   1HD   LYS  76          1HD       LYS  76  -9.957  -9.426   4.647
  540   2HD   LYS  76          2HD       LYS  76 -11.187  -8.269   4.179
  541   1HE   LYS  76          1HE       LYS  76 -12.614  -9.059   5.758
  542   2HE   LYS  76          2HE       LYS  76 -12.494 -10.686   5.117
  543   1HZ   LYS  76          1HZ       LYS  76 -10.332  -9.613   6.754
  544   2HZ   LYS  76          2HZ       LYS  76 -11.672 -10.216   7.466
  545   3HZ   LYS  76          3HZ       LYS  76 -10.756 -11.170   6.509
  546    H    GLY  77           H        GLY  77  -8.589  -7.065   4.133
  547   1HA   GLY  77          2HA       GLY  77  -6.749  -6.740   5.434
  548   2HA   GLY  77          1HA       GLY  77  -5.973  -8.135   4.711
  549    H    GLY  78           H        GLY  78  -6.988  -6.993   7.608
  550   1HA   GLY  78          2HA       GLY  78  -6.994  -9.565   8.837
  551   2HA   GLY  78          1HA       GLY  78  -8.606  -8.881   8.794
  552    H    ALA  79           H        ALA  79  -5.367  -8.650  10.172
  553    HA   ALA  79           HA       ALA  79  -6.273  -7.332  12.455
  554   1HB   ALA  79          2HB       ALA  79  -3.481  -6.901  12.169
  555   2HB   ALA  79          3HB       ALA  79  -4.296  -8.186  13.091
  556   3HB   ALA  79          1HB       ALA  79  -3.832  -8.465  11.396
  557    H    LYS  80           H        LYS  80  -4.738  -6.159   9.417
  558    HA   LYS  80           HA       LYS  80  -5.640  -3.485  10.138
  559   1HB   LYS  80          1HB       LYS  80  -2.932  -4.279  10.353
  560   2HB   LYS  80          2HB       LYS  80  -3.039  -3.311   8.896
  561   1HG   LYS  80          1HG       LYS  80  -3.616  -1.384  10.041
  562   2HG   LYS  80          2HG       LYS  80  -4.546  -2.246  11.250
  563   1HD   LYS  80          1HD       LYS  80  -1.880  -3.118  11.648
  564   2HD   LYS  80          2HD       LYS  80  -1.738  -1.401  11.330
  565   1HE   LYS  80          1HE       LYS  80  -2.821  -0.805  13.279
  566   2HE   LYS  80          2HE       LYS  80  -3.960  -2.134  13.181
  567   1HZ   LYS  80          1HZ       LYS  80  -1.484  -3.252  13.588
  568   2HZ   LYS  80          2HZ       LYS  80  -1.576  -1.995  14.627
  569   3HZ   LYS  80          3HZ       LYS  80  -2.717  -3.163  14.656
  570    HA   PRO  81           HA       PRO  81  -7.154  -3.440   6.054
  571   1HB   PRO  81          1HB       PRO  81  -6.888  -0.712   5.541
  572   2HB   PRO  81          2HB       PRO  81  -8.164  -1.434   6.575
  573   1HG   PRO  81          1HG       PRO  81  -5.496  -0.093   7.567
  574   2HG   PRO  81          2HG       PRO  81  -7.233   0.043   7.991
  575   1HD   PRO  81          1HD       PRO  81  -5.451  -1.644   9.295
  576   2HD   PRO  81          2HD       PRO  81  -7.191  -2.024   9.116
  577    H    THR  82           H        THR  82  -6.455  -2.883   3.751
  578    HA   THR  82           HA       THR  82  -3.514  -2.886   3.634
  579    HB   THR  82           HB       THR  82  -4.054  -3.960   1.329
  580    HG1  THR  82           HG1      THR  82  -6.244  -4.337   1.015
  581   1HG2  THR  82          1HG2      THR  82  -4.530  -5.176   4.035
  582   2HG2  THR  82          2HG2      THR  82  -5.187  -6.073   2.645
  583   3HG2  THR  82          3HG2      THR  82  -3.445  -5.714   2.730
  584    H    CYS  83           H        CYS  83  -5.045  -2.423   0.621
  585    HA   CYS  83           HA       CYS  83  -4.872   0.474   0.886
  586   1HB   CYS  83          1HB       CYS  83  -3.497  -1.076  -1.319
  587   2HB   CYS  83          2HB       CYS  83  -3.584   0.668  -1.173
  588    H    ILE  84           H        ILE  84  -5.678  -2.442  -1.108
  589    HA   ILE  84           HA       ILE  84  -7.576  -0.949  -2.668
  590    HB   ILE  84           HB       ILE  84  -6.319  -3.601  -2.710
  591   1HG1  ILE  84          1HG1      ILE  84  -7.264  -1.594  -4.768
  592   2HG1  ILE  84          2HG1      ILE  84  -5.618  -1.932  -4.272
  593   1HG2  ILE  84          1HG2      ILE  84  -8.667  -4.264  -2.370
  594   2HG2  ILE  84          2HG2      ILE  84  -9.136  -3.289  -3.783
  595   3HG2  ILE  84          3HG2      ILE  84  -8.066  -4.696  -3.989
  596   1HD1  ILE  84          1HD1      ILE  84  -6.126  -4.391  -5.065
  597   2HD1  ILE  84          2HD1      ILE  84  -7.475  -3.637  -5.949
  598   3HD1  ILE  84          3HD1      ILE  84  -5.800  -3.138  -6.287
  599    H    SER  85           H        SER  85  -7.488  -2.665   0.361
  600    HA   SER  85           HA       SER  85 -10.159  -3.501   0.368
  601   1HB   SER  85          1HB       SER  85  -9.807  -3.770   2.823
  602   2HB   SER  85          2HB       SER  85  -8.515  -4.488   1.881
  603    HG   SER  85           HG       SER  85  -8.363  -2.527   3.779
  604    H    CYS  86           H        CYS  86  -8.709  -1.025   2.595
  605    HA   CYS  86           HA       CYS  86 -10.932   0.212   3.372
  606   1HB   CYS  86          1HB       CYS  86  -8.696   0.788   4.194
  607   2HB   CYS  86          2HB       CYS  86  -8.308   1.571   2.675
  608    H    HIS  87           H        HIS  87  -9.068   0.832   0.408
  609    HA   HIS  87           HA       HIS  87 -10.601   2.961  -0.664
  610   1HB   HIS  87          1HB       HIS  87  -8.720   0.843  -1.743
  611   2HB   HIS  87          2HB       HIS  87  -9.667   1.862  -2.911
  612    HD1  HIS  87           HD1      HIS  87  -8.049   3.401  -3.807
  613    HD2  HIS  87           HD2      HIS  87  -7.657   3.103   0.344
  614    HE1  HIS  87           HE1      HIS  87  -6.280   5.148  -3.125
  615    H    LYS  88           H        LYS  88 -10.819  -0.594  -1.548
  616    HA   LYS  88           HA       LYS  88 -13.088  -0.328  -3.100
  617   1HB   LYS  88          1HB       LYS  88 -11.807  -2.310  -3.262
  618   2HB   LYS  88          2HB       LYS  88 -11.909  -2.630  -1.543
  619   1HG   LYS  88          1HG       LYS  88 -14.267  -3.174  -1.683
  620   2HG   LYS  88          2HG       LYS  88 -14.388  -2.540  -3.313
  621   1HD   LYS  88          1HD       LYS  88 -13.408  -4.414  -4.274
  622   2HD   LYS  88          2HD       LYS  88 -12.363  -4.712  -2.899
  623   1HE   LYS  88          1HE       LYS  88 -13.810  -6.407  -2.400
  624   2HE   LYS  88          2HE       LYS  88 -14.850  -5.146  -1.769
  625   1HZ   LYS  88          1HZ       LYS  88 -15.835  -4.981  -3.982
  626   2HZ   LYS  88          2HZ       LYS  88 -14.916  -6.227  -4.500
  627   3HZ   LYS  88          3HZ       LYS  88 -16.033  -6.466  -3.333
  628    H    ASP  89           H        ASP  89 -12.665  -0.408   0.423
  629    HA   ASP  89           HA       ASP  89 -15.494  -0.742   0.796
  630   1HB   ASP  89          1HB       ASP  89 -13.231  -1.359   2.309
  631   2HB   ASP  89          2HB       ASP  89 -13.839   0.069   3.122
  632    H    LYS  90           H        LYS  90 -13.773   1.723  -0.373
  633    HA   LYS  90           HA       LYS  90 -15.422   3.719   0.935
  634   1HB   LYS  90          1HB       LYS  90 -12.401   3.748   0.968
  635   2HB   LYS  90          2HB       LYS  90 -13.341   5.222   1.088
  636   1HG   LYS  90          1HG       LYS  90 -14.657   3.813   2.969
  637   2HG   LYS  90          2HG       LYS  90 -13.145   2.930   3.038
  638   1HD   LYS  90          1HD       LYS  90 -12.003   5.280   3.207
  639   2HD   LYS  90          2HD       LYS  90 -13.607   5.890   3.564
  640   1HE   LYS  90          1HE       LYS  90 -13.471   3.709   5.268
  641   2HE   LYS  90          2HE       LYS  90 -11.797   4.228   5.246
  642   1HZ   LYS  90          1HZ       LYS  90 -14.072   6.009   5.783
  643   2HZ   LYS  90          2HZ       LYS  90 -13.119   5.346   6.931
  644   3HZ   LYS  90          3HZ       LYS  90 -12.492   6.413   5.866
  645    H    ALA  91           H        ALA  91 -16.265   2.961  -1.361
  646    HA   ALA  91           HA       ALA  91 -16.086   5.079  -3.060
  647   1HB   ALA  91          1HB       ALA  91 -13.842   3.149  -3.391
  648   2HB   ALA  91          2HB       ALA  91 -14.670   3.647  -4.885
  649   3HB   ALA  91          3HB       ALA  91 -13.942   4.873  -3.821
  650    H    GLY  92           H        GLY  92 -16.074   1.459  -2.991
  651   1HA   GLY  92          2HA       GLY  92 -18.757   1.498  -4.154
  652   2HA   GLY  92          1HA       GLY  92 -17.957   0.156  -3.360
  653    H    ASP  93           H        ASP  93 -19.297  -0.088  -5.879
  654    HA   ASP  93           HA       ASP  93 -16.980  -0.634  -7.559
  655   1HB   ASP  93          1HB       ASP  93 -18.267  -2.464  -8.532
  656   2HB   ASP  93          2HB       ASP  93 -18.296  -2.625  -6.788
  657    H    ASP  94           H        ASP  94 -18.555   1.932  -7.320
  658    HA   ASP  94           HA       ASP  94 -20.459   2.156  -9.281
  659   1HB   ASP  94          1HB       ASP  94 -19.677   3.831  -7.435
  660   2HB   ASP  94          2HB       ASP  94 -18.465   4.349  -8.590
  661    H    LYS  95           H        LYS  95 -17.034   1.638  -9.477
  662    HA   LYS  95           HA       LYS  95 -15.809   1.210 -11.309
  663   1HB   LYS  95          1HB       LYS  95 -18.275   1.335 -12.488
  664   2HB   LYS  95          2HB       LYS  95 -17.454   2.657 -13.292
  665   1HG   LYS  95          1HG       LYS  95 -16.868   0.831 -14.652
  666   2HG   LYS  95          2HG       LYS  95 -15.473   0.954 -13.598
  667   1HD   LYS  95          1HD       LYS  95 -15.841  -1.263 -13.184
  668   2HD   LYS  95          2HD       LYS  95 -17.091  -0.695 -12.096
  669   1HE   LYS  95          1HE       LYS  95 -18.701  -0.748 -14.112
  670   2HE   LYS  95          2HE       LYS  95 -17.440  -1.588 -14.993
  671   1HZ   LYS  95          1HZ       LYS  95 -17.657  -2.871 -12.587
  672   2HZ   LYS  95          2HZ       LYS  95 -19.197  -2.605 -13.061
  673   3HZ   LYS  95          3HZ       LYS  95 -18.171  -3.415 -14.039
  674    H    GLU  96           H        GLU  96 -17.462   4.425 -11.733
  675    HA   GLU  96           HA       GLU  96 -15.259   5.747 -12.629
  676   1HB   GLU  96          1HB       GLU  96 -17.656   6.574 -12.561
  677   2HB   GLU  96          2HB       GLU  96 -17.444   6.924 -10.857
  678   1HG   GLU  96          1HG       GLU  96 -17.068   8.932 -12.323
  679   2HG   GLU  96          2HG       GLU  96 -15.679   8.543 -11.328
  680    H    LEU  97           H        LEU  97 -16.191   4.850  -9.308
  681    HA   LEU  97           HA       LEU  97 -13.945   6.389  -8.258
  682   1HB   LEU  97          1HB       LEU  97 -16.546   5.801  -7.336
  683   2HB   LEU  97          2HB       LEU  97 -15.447   4.932  -6.283
  684    HG   LEU  97           HG       LEU  97 -15.022   7.855  -6.891
  685   1HD1  LEU  97          1HD1      LEU  97 -17.041   6.619  -5.055
  686   2HD1  LEU  97          2HD1      LEU  97 -16.217   8.120  -4.568
  687   3HD1  LEU  97          3HD1      LEU  97 -17.159   8.071  -6.077
  688   1HD2  LEU  97          1HD2      LEU  97 -13.497   6.004  -5.534
  689   2HD2  LEU  97          2HD2      LEU  97 -13.398   7.773  -5.361
  690   3HD2  LEU  97          3HD2      LEU  97 -14.385   6.822  -4.227
  691    H    LYS  98           H        LYS  98 -14.842   3.221  -9.333
  692    HA   LYS  98           HA       LYS  98 -13.015   1.836  -7.610
  693   1HB   LYS  98          1HB       LYS  98 -15.211   0.966  -8.668
  694   2HB   LYS  98          2HB       LYS  98 -14.267   0.742 -10.127
  695   1HG   LYS  98          1HG       LYS  98 -14.223  -1.345  -8.873
  696   2HG   LYS  98          2HG       LYS  98 -12.618  -0.644  -8.815
  697   1HD   LYS  98          1HD       LYS  98 -12.691  -0.631  -6.551
  698   2HD   LYS  98          2HD       LYS  98 -14.078   0.440  -6.592
  699   1HE   LYS  98          1HE       LYS  98 -15.023  -1.374  -5.479
  700   2HE   LYS  98          2HE       LYS  98 -15.418  -1.809  -7.130
  701   1HZ   LYS  98          1HZ       LYS  98 -13.320  -3.086  -7.151
  702   2HZ   LYS  98          2HZ       LYS  98 -13.148  -2.797  -5.553
  703   3HZ   LYS  98          3HZ       LYS  98 -14.426  -3.658  -6.094
  704    H    LYS  99           H        LYS  99 -13.053   3.230 -10.907
  705    HA   LYS  99           HA       LYS  99 -10.696   2.029 -11.800
  706   1HB   LYS  99          1HB       LYS  99 -12.537   4.121 -12.660
  707   2HB   LYS  99          2HB       LYS  99 -10.877   4.520 -13.054
  708   1HG   LYS  99          1HG       LYS  99 -11.346   3.217 -14.905
  709   2HG   LYS  99          2HG       LYS  99 -10.819   1.937 -13.830
  710   1HD   LYS  99          1HD       LYS  99 -13.738   2.799 -14.007
  711   2HD   LYS  99          2HD       LYS  99 -13.064   1.577 -15.068
  712   1HE   LYS  99          1HE       LYS  99 -12.249   0.914 -12.388
  713   2HE   LYS  99          2HE       LYS  99 -13.960   1.288 -12.329
  714   1HZ   LYS  99          1HZ       LYS  99 -14.045  -0.203 -14.396
  715   2HZ   LYS  99          2HZ       LYS  99 -12.611  -0.779 -13.870
  716   3HZ   LYS  99          3HZ       LYS  99 -13.936  -0.899 -12.924
  717    H    LYS 100           H        LYS 100 -11.339   5.033  -9.922
  718    HA   LYS 100           HA       LYS 100  -8.440   5.372  -9.672
  719   1HB   LYS 100          1HB       LYS 100 -10.371   7.198 -10.365
  720   2HB   LYS 100          2HB       LYS 100 -10.215   7.492  -8.645
  721   1HG   LYS 100          1HG       LYS 100  -7.784   7.809  -8.862
  722   2HG   LYS 100          2HG       LYS 100  -7.832   7.340 -10.549
  723   1HD   LYS 100          1HD       LYS 100  -7.755   9.861 -10.111
  724   2HD   LYS 100          2HD       LYS 100  -9.029   9.323 -11.188
  725   1HE   LYS 100          1HE       LYS 100  -9.734   9.392  -8.276
  726   2HE   LYS 100          2HE       LYS 100  -9.461  10.951  -9.029
  727   1HZ   LYS 100          1HZ       LYS 100 -10.981   9.926 -10.845
  728   2HZ   LYS 100          2HZ       LYS 100 -11.499   8.977  -9.622
  729   3HZ   LYS 100          3HZ       LYS 100 -11.630  10.601  -9.507
  730    H    LEU 101           H        LEU 101  -8.148   3.638  -8.154
  731    HA   LEU 101           HA       LEU 101  -7.881   4.197  -5.612
  732   1HB   LEU 101          1HB       LEU 101 -10.773   3.935  -6.148
  733   2HB   LEU 101          2HB       LEU 101 -10.184   3.050  -4.755
  734    HG   LEU 101           HG       LEU 101 -10.864   5.784  -4.930
  735   1HD1  LEU 101          1HD1      LEU 101 -10.108   3.803  -2.910
  736   2HD1  LEU 101          2HD1      LEU 101  -9.680   5.472  -2.464
  737   3HD1  LEU 101          3HD1      LEU 101 -11.363   5.065  -2.876
  738   1HD2  LEU 101          1HD2      LEU 101  -8.485   6.035  -5.794
  739   2HD2  LEU 101          2HD2      LEU 101  -8.934   7.019  -4.381
  740   3HD2  LEU 101          3HD2      LEU 101  -7.951   5.550  -4.167
  741    H    THR 102           H        THR 102  -9.426   1.811  -7.807
  742    HA   THR 102           HA       THR 102  -7.625  -0.206  -6.658
  743    HB   THR 102           HB       THR 102  -9.467  -1.823  -6.665
  744    HG1  THR 102           HG1      THR 102 -10.615  -1.031  -8.513
  745   1HG2  THR 102          1HG2      THR 102  -9.414   0.175  -4.833
  746   2HG2  THR 102          2HG2      THR 102 -10.951   0.589  -5.630
  747   3HG2  THR 102          3HG2      THR 102 -10.740  -1.011  -4.879
  748    H    GLY 103           H        GLY 103  -9.678   0.868  -9.415
  749   1HA   GLY 103          2HA       GLY 103  -9.073   0.886 -11.619
  750   2HA   GLY 103          1HA       GLY 103  -9.219  -0.843 -11.373
  751    H    CYS 104           H        CYS 104  -7.594  -1.372 -12.927
  752    HA   CYS 104           HA       CYS 104  -4.930  -1.132 -11.852
  753   1HB   CYS 104          1HB       CYS 104  -5.851  -2.568 -14.349
  754   2HB   CYS 104          2HB       CYS 104  -4.298  -2.731 -13.552
  755    H    LYS 105           H        LYS 105  -6.339  -0.792 -15.197
  756    HA   LYS 105           HA       LYS 105  -4.337   1.229 -15.762
  757   1HB   LYS 105          1HB       LYS 105  -4.628  -0.541 -17.387
  758   2HB   LYS 105          2HB       LYS 105  -6.346  -0.223 -17.505
  759   1HG   LYS 105          1HG       LYS 105  -5.501   2.257 -18.105
  760   2HG   LYS 105          2HG       LYS 105  -4.036   1.409 -18.558
  761   1HD   LYS 105          1HD       LYS 105  -6.843   0.878 -19.638
  762   2HD   LYS 105          2HD       LYS 105  -5.515   1.611 -20.514
  763   1HE   LYS 105          1HE       LYS 105  -4.293  -0.705 -19.768
  764   2HE   LYS 105          2HE       LYS 105  -5.951  -1.270 -19.783
  765   1HZ   LYS 105          1HZ       LYS 105  -4.960   0.284 -22.038
  766   2HZ   LYS 105          2HZ       LYS 105  -4.577  -1.300 -21.928
  767   3HZ   LYS 105          3HZ       LYS 105  -6.143  -0.842 -22.004
  768    H    GLY 106           H        GLY 106  -4.971   3.044 -14.559
  769   1HA   GLY 106          2HA       GLY 106  -7.618   4.150 -15.285
  770   2HA   GLY 106          1HA       GLY 106  -6.155   5.114 -15.254
  771    H    SER 107           H        SER 107  -4.929   3.876 -12.898
  772    HA   SER 107           HA       SER 107  -6.826   4.837 -10.900
  773   1HB   SER 107          1HB       SER 107  -5.359   3.272  -9.346
  774   2HB   SER 107          2HB       SER 107  -6.663   2.595 -10.303
  775    HG   SER 107           HG       SER 107  -5.172   1.313 -11.138
  776    H    ALA 108           H        ALA 108  -5.621   5.629  -8.825
  777    HA   ALA 108           HA       ALA 108  -3.690   7.548  -9.666
  778   1HB   ALA 108          3HB       ALA 108  -3.828   8.301  -7.351
  779   2HB   ALA 108          1HB       ALA 108  -5.465   7.942  -7.948
  780   3HB   ALA 108          2HB       ALA 108  -4.637   6.790  -6.873
  781    H    CYS 109           H        CYS 109  -3.428   4.273  -9.194
  782    HA   CYS 109           HA       CYS 109  -0.790   4.517  -7.952
  783   1HB   CYS 109          1HB       CYS 109  -2.370   1.959  -8.319
  784   2HB   CYS 109          2HB       CYS 109  -0.951   2.214  -7.321
  785    H    HIS 110           H        HIS 110  -2.536   2.489 -10.324
  786    HA   HIS 110           HA       HIS 110  -0.099   2.475 -12.063
  787   1HB   HIS 110          1HB       HIS 110  -2.493   0.558 -12.069
  788   2HB   HIS 110          2HB       HIS 110  -0.927   0.385 -12.972
  789    HD1  HIS 110           HD1      HIS 110   1.112   0.708 -10.885
  790    HD2  HIS 110           HD2      HIS 110  -2.441  -1.370 -10.159
  791    HE1  HIS 110           HE1      HIS 110   1.601  -0.887  -8.920
  792    HA   PRO 111           HA       PRO 111  -2.737   5.016 -14.657
  793   1HB   PRO 111          1HB       PRO 111  -0.787   6.665 -15.562
  794   2HB   PRO 111          2HB       PRO 111  -1.369   6.761 -13.867
  795   1HG   PRO 111          1HG       PRO 111   0.756   5.365 -15.150
  796   2HG   PRO 111          2HG       PRO 111   1.309   6.138 -13.629
  797   1HD   PRO 111          1HD       PRO 111   0.862   3.468 -13.737
  798   2HD   PRO 111          2HD       PRO 111   0.312   4.402 -12.312
  799    H    SER 112           H        SER 112  -3.141   4.861 -16.928
  800    HA   SER 112           HA       SER 112  -2.193   2.671 -18.212
  801   1HB   SER 112          1HB       SER 112  -2.949   3.965 -20.346
  802   2HB   SER 112          2HB       SER 112  -4.144   3.628 -19.109
  803    HG   SER 112           HG       SER 112  -4.186   5.746 -18.484

  No H/Q in entry =         803
  Start of MODEL   11
    1    H1   VAL   1           H1       VAL   1   8.258  11.539  13.826
    2    H2   VAL   1           H2       VAL   1   9.625  11.891  14.690
    3    H3   VAL   1           H3       VAL   1   8.305  12.887  14.786
    4    HA   VAL   1           HA       VAL   1   9.751  13.997  13.458
    5    HB   VAL   1           HB       VAL   1  11.435  12.670  12.806
    6   1HG1  VAL   1          1HG1      VAL   1   9.396  10.466  12.384
    7   2HG1  VAL   1          2HG1      VAL   1  11.127  10.288  12.008
    8   3HG1  VAL   1          3HG1      VAL   1  10.607  10.608  13.681
    9   1HG2  VAL   1          1HG2      VAL   1  10.493  13.694  10.717
   10   2HG2  VAL   1          2HG2      VAL   1  11.452  12.219  10.444
   11   3HG2  VAL   1          3HG2      VAL   1   9.675  12.148  10.390
   12    H    ASP   2           H        ASP   2   8.637  15.401  12.192
   13    HA   ASP   2           HA       ASP   2   6.100  15.170  11.548
   14   1HB   ASP   2          1HB       ASP   2   8.205  16.436   9.730
   15   2HB   ASP   2          2HB       ASP   2   6.497  16.828   9.719
   16    H    VAL   3           H        VAL   3   4.959  14.815   9.367
   17    HA   VAL   3           HA       VAL   3   5.582  12.302   8.328
   18    HB   VAL   3           HB       VAL   3   3.701  12.573   7.023
   19   1HG1  VAL   3          1HG1      VAL   3   3.564  13.352   9.640
   20   2HG1  VAL   3          2HG1      VAL   3   2.797  14.734   8.822
   21   3HG1  VAL   3          3HG1      VAL   3   2.155  13.091   8.583
   22   1HG2  VAL   3          1HG2      VAL   3   4.447  15.494   6.887
   23   2HG2  VAL   3          2HG2      VAL   3   4.215  14.328   5.562
   24   3HG2  VAL   3          3HG2      VAL   3   2.809  14.938   6.467
   25    HA   PRO   4           HA       PRO   4   8.290  13.321   4.995
   26   1HB   PRO   4          1HB       PRO   4   7.905  11.236   3.318
   27   2HB   PRO   4          2HB       PRO   4   8.455  10.970   5.005
   28   1HG   PRO   4          1HG       PRO   4   5.865  10.719   3.863
   29   2HG   PRO   4          2HG       PRO   4   6.330   9.579   5.168
   30   1HD   PRO   4          1HD       PRO   4   4.639  11.792   5.500
   31   2HD   PRO   4          2HD       PRO   4   5.618  11.079   6.818
   32    H    ALA   5           H        ALA   5   8.411  14.312   2.876
   33    HA   ALA   5           HA       ALA   5   6.149  15.702   2.084
   34   1HB   ALA   5          3HB       ALA   5   7.656  16.735   0.758
   35   2HB   ALA   5          2HB       ALA   5   8.105  15.215  -0.051
   36   3HB   ALA   5          1HB       ALA   5   8.870  15.661   1.493
   37    H    ASP   6           H        ASP   6   6.038  15.361  -0.758
   38    HA   ASP   6           HA       ASP   6   4.653  12.802  -0.804
   39   1HB   ASP   6          1HB       ASP   6   4.263  14.875  -2.951
   40   2HB   ASP   6          2HB       ASP   6   3.102  13.744  -2.285
   41    H    GLY   7           H        GLY   7   4.596  11.850  -3.201
   42   1HA   GLY   7          2HA       GLY   7   6.967  12.504  -4.769
   43   2HA   GLY   7          1HA       GLY   7   5.638  11.458  -5.226
   44    H    ALA   8           H        ALA   8   5.748  10.080  -2.478
   45    HA   ALA   8           HA       ALA   8   8.330   8.860  -2.384
   46   1HB   ALA   8          1HB       ALA   8   5.807   8.868  -0.850
   47   2HB   ALA   8          3HB       ALA   8   7.489   8.736  -0.283
   48   3HB   ALA   8          2HB       ALA   8   6.633   7.291  -0.874
   49    H    LYS   9           H        LYS   9   8.519   8.122  -4.628
   50    HA   LYS   9           HA       LYS   9   6.645   6.322  -5.715
   51   1HB   LYS   9          1HB       LYS   9   7.945   6.407  -7.567
   52   2HB   LYS   9          2HB       LYS   9   8.605   7.813  -6.756
   53   1HG   LYS   9          1HG       LYS   9   9.760   4.995  -6.512
   54   2HG   LYS   9          2HG       LYS   9  10.365   6.214  -7.617
   55   1HD   LYS   9          1HD       LYS   9  10.115   6.895  -4.678
   56   2HD   LYS   9          2HD       LYS   9  11.462   5.907  -5.209
   57   1HE   LYS   9          1HE       LYS   9  10.754   8.706  -6.206
   58   2HE   LYS   9          2HE       LYS   9  12.140   8.265  -5.228
   59   1HZ   LYS   9          1HZ       LYS   9  12.360   6.635  -7.342
   60   2HZ   LYS   9          2HZ       LYS   9  11.761   7.987  -8.035
   61   3HZ   LYS   9          3HZ       LYS   9  13.147   8.057  -7.174
   62    H    ILE  10           H        ILE  10   6.210   4.286  -5.080
   63    HA   ILE  10           HA       ILE  10   8.295   2.896  -3.570
   64    HB   ILE  10           HB       ILE  10   5.333   2.343  -3.775
   65   1HG1  ILE  10          1HG1      ILE  10   6.890   3.663  -1.532
   66   2HG1  ILE  10          2HG1      ILE  10   5.873   4.510  -2.680
   67   1HG2  ILE  10          1HG2      ILE  10   7.251   0.543  -3.129
   68   2HG2  ILE  10          2HG2      ILE  10   6.929   1.263  -1.533
   69   3HG2  ILE  10          3HG2      ILE  10   5.599   0.533  -2.465
   70   1HD1  ILE  10          1HD1      ILE  10   4.565   2.184  -1.357
   71   2HD1  ILE  10          2HD1      ILE  10   4.985   3.533  -0.275
   72   3HD1  ILE  10          3HD1      ILE  10   3.930   3.815  -1.681
   73    H    ASP  11           H        ASP  11   9.470   1.351  -4.561
   74    HA   ASP  11           HA       ASP  11   8.185  -0.343  -6.455
   75   1HB   ASP  11          1HB       ASP  11   8.828   1.461  -7.967
   76   2HB   ASP  11          2HB       ASP  11  10.431   1.554  -7.265
   77    H    PHE  12           H        PHE  12   8.827  -1.945  -4.829
   78    HA   PHE  12           HA       PHE  12  11.704  -2.206  -4.400
   79   1HB   PHE  12          1HB       PHE  12   9.127  -3.265  -3.122
   80   2HB   PHE  12          2HB       PHE  12  10.671  -3.991  -2.722
   81    HD1  PHE  12           HD1      PHE  12  12.496  -2.434  -1.788
   82    HD2  PHE  12           HD2      PHE  12   8.397  -1.357  -1.990
   83    HE1  PHE  12           HE1      PHE  12  12.874  -0.671  -0.043
   84    HE2  PHE  12           HE2      PHE  12   8.775   0.407  -0.244
   85    HZ   PHE  12           HZ       PHE  12  11.009   0.729   0.708
   86    H    ILE  13           H        ILE  13   9.302  -3.307  -6.506
   87    HA   ILE  13           HA       ILE  13  10.178  -6.050  -6.594
   88    HB   ILE  13           HB       ILE  13   7.991  -4.434  -7.652
   89   1HG1  ILE  13          1HG1      ILE  13   7.205  -7.056  -7.689
   90   2HG1  ILE  13          2HG1      ILE  13   8.486  -7.107  -6.495
   91   1HG2  ILE  13          1HG2      ILE  13   9.188  -6.580  -9.427
   92   2HG2  ILE  13          2HG2      ILE  13   7.597  -5.814  -9.650
   93   3HG2  ILE  13          3HG2      ILE  13   9.081  -4.840  -9.786
   94   1HD1  ILE  13          1HD1      ILE  13   7.391  -5.084  -5.369
   95   2HD1  ILE  13          2HD1      ILE  13   6.016  -5.323  -6.473
   96   3HD1  ILE  13          3HD1      ILE  13   6.451  -6.594  -5.306
   97    H    ALA  14           H        ALA  14  11.014  -7.019  -8.653
   98    HA   ALA  14           HA       ALA  14  13.389  -5.993  -9.400
   99   1HB   ALA  14          3HB       ALA  14  13.233  -7.476 -11.347
  100   2HB   ALA  14          1HB       ALA  14  12.519  -8.263  -9.919
  101   3HB   ALA  14          2HB       ALA  14  11.464  -7.558 -11.166
  102    H    GLY  15           H        GLY  15  14.092  -5.091 -11.590
  103   1HA   GLY  15          2HA       GLY  15  13.981  -2.825 -12.379
  104   2HA   GLY  15          1HA       GLY  15  12.232  -2.922 -12.344
  105    H    GLY  16           H        GLY  16  12.005  -2.392 -14.585
  106   1HA   GLY  16          2HA       GLY  16  12.021  -4.612 -16.343
  107   2HA   GLY  16          1HA       GLY  16  13.386  -3.569 -16.688
  108    H    GLU  17           H        GLU  17  11.450  -3.868 -18.642
  109    HA   GLU  17           HA       GLU  17  10.898  -1.414 -19.447
  110   1HB   GLU  17          1HB       GLU  17  10.472  -3.189 -20.958
  111   2HB   GLU  17          2HB       GLU  17   9.383  -4.004 -19.853
  112   1HG   GLU  17          1HG       GLU  17   7.710  -2.185 -20.121
  113   2HG   GLU  17          2HG       GLU  17   8.806  -1.309 -21.171
  114    H    LYS  18           H        LYS  18   8.812  -0.135 -19.614
  115    HA   LYS  18           HA       LYS  18   7.420   1.161 -18.439
  116   1HB   LYS  18          1HB       LYS  18   6.141  -1.546 -17.947
  117   2HB   LYS  18          2HB       LYS  18   5.332   0.004 -17.841
  118   1HG   LYS  18          1HG       LYS  18   5.151   0.209 -20.114
  119   2HG   LYS  18          2HG       LYS  18   6.788  -0.349 -20.393
  120   1HD   LYS  18          1HD       LYS  18   5.914  -2.313 -21.116
  121   2HD   LYS  18          2HD       LYS  18   5.445  -2.647 -19.461
  122   1HE   LYS  18          1HE       LYS  18   3.664  -0.886 -21.165
  123   2HE   LYS  18          2HE       LYS  18   3.619  -2.622 -21.402
  124   1HZ   LYS  18          1HZ       LYS  18   3.431  -1.558 -18.699
  125   2HZ   LYS  18          2HZ       LYS  18   2.111  -1.529 -19.660
  126   3HZ   LYS  18          3HZ       LYS  18   2.829  -2.951 -19.302
  127    H    ASN  19           H        ASN  19   9.268   1.628 -16.899
  128    HA   ASN  19           HA       ASN  19   9.853   0.417 -14.642
  129   1HB   ASN  19          1HB       ASN  19  10.502   2.811 -15.551
  130   2HB   ASN  19          2HB       ASN  19   9.181   3.389 -14.555
  131   2HD2  ASN  19          1HD2      ASN  19  12.240   3.507 -14.513
  132   1HD2  ASN  19          2HD2      ASN  19  12.678   3.132 -12.879
  133    H    LEU  20           H        LEU  20   8.660  -0.365 -12.896
  134    HA   LEU  20           HA       LEU  20   5.952   0.650 -12.564
  135   1HB   LEU  20          1HB       LEU  20   5.715  -1.329 -11.072
  136   2HB   LEU  20          2HB       LEU  20   6.044  -1.687 -12.756
  137    HG   LEU  20           HG       LEU  20   8.358  -1.571 -10.860
  138   1HD1  LEU  20          1HD1      LEU  20   6.136  -3.121 -10.220
  139   2HD1  LEU  20          2HD1      LEU  20   7.250  -4.253 -11.022
  140   3HD1  LEU  20          3HD1      LEU  20   7.795  -3.320  -9.608
  141   1HD2  LEU  20          1HD2      LEU  20   7.936  -2.317 -13.557
  142   2HD2  LEU  20          2HD2      LEU  20   9.437  -2.409 -12.605
  143   3HD2  LEU  20          3HD2      LEU  20   8.332  -3.803 -12.660
  144    H    THR  21           H        THR  21   5.567   2.253 -11.143
  145    HA   THR  21           HA       THR  21   6.863   2.182  -8.564
  146    HB   THR  21           HB       THR  21   7.168   4.741 -10.165
  147    HG1  THR  21           HG1      THR  21   9.150   3.803 -10.969
  148   1HG2  THR  21          1HG2      THR  21   7.766   4.422  -7.627
  149   2HG2  THR  21          2HG2      THR  21   9.112   3.421  -8.224
  150   3HG2  THR  21          3HG2      THR  21   9.007   5.138  -8.684
  151    H    VAL  22           H        VAL  22   5.514   2.866  -6.996
  152    HA   VAL  22           HA       VAL  22   3.064   4.181  -7.939
  153    HB   VAL  22           HB       VAL  22   3.671   2.143  -5.840
  154   1HG1  VAL  22          1HG1      VAL  22   1.558   4.283  -5.654
  155   2HG1  VAL  22          2HG1      VAL  22   1.265   2.662  -4.981
  156   3HG1  VAL  22          3HG1      VAL  22   2.631   3.638  -4.389
  157   1HG2  VAL  22          1HG2      VAL  22   2.516   2.000  -8.305
  158   2HG2  VAL  22          2HG2      VAL  22   2.215   0.847  -6.983
  159   3HG2  VAL  22          3HG2      VAL  22   1.081   2.189  -7.269
  160    H    VAL  23           H        VAL  23   2.576   6.201  -7.196
  161    HA   VAL  23           HA       VAL  23   4.538   7.422  -5.444
  162    HB   VAL  23           HB       VAL  23   2.305   8.419  -7.200
  163   1HG1  VAL  23          1HG1      VAL  23   3.949  10.040  -5.227
  164   2HG1  VAL  23          2HG1      VAL  23   2.917  10.724  -6.505
  165   3HG1  VAL  23          3HG1      VAL  23   2.189   9.774  -5.188
  166   1HG2  VAL  23          1HG2      VAL  23   5.126   8.012  -7.509
  167   2HG2  VAL  23          2HG2      VAL  23   3.947   8.626  -8.693
  168   3HG2  VAL  23          3HG2      VAL  23   4.786   9.757  -7.604
  169    H    PHE  24           H        PHE  24   4.194   7.952  -3.323
  170    HA   PHE  24           HA       PHE  24   1.488   7.415  -2.315
  171   1HB   PHE  24          1HB       PHE  24   3.321   5.827  -1.589
  172   2HB   PHE  24          2HB       PHE  24   4.283   7.187  -1.043
  173    HD1  PHE  24           HD1      PHE  24   3.084   8.730   0.748
  174    HD2  PHE  24           HD2      PHE  24   2.047   4.690  -0.035
  175    HE1  PHE  24           HE1      PHE  24   2.035   8.559   3.022
  176    HE2  PHE  24           HE2      PHE  24   0.998   4.519   2.240
  177    HZ   PHE  24           HZ       PHE  24   1.005   6.456   3.741
  178    H    ASN  25           H        ASN  25   0.668   8.803  -0.631
  179    HA   ASN  25           HA       ASN  25   2.244  11.210  -0.235
  180   1HB   ASN  25          1HB       ASN  25  -0.738  11.528  -0.472
  181   2HB   ASN  25          2HB       ASN  25   0.531  12.648  -0.927
  182   2HD2  ASN  25          1HD2      ASN  25   0.101  13.082  -2.977
  183   1HD2  ASN  25          2HD2      ASN  25  -0.009  11.934  -4.269
  184    H    HIS  26           H        HIS  26   1.984  12.075   1.818
  185    HA   HIS  26           HA       HIS  26   0.497  10.398   3.779
  186   1HB   HIS  26          1HB       HIS  26   2.914  12.210   3.815
  187   2HB   HIS  26          2HB       HIS  26   1.934  12.062   5.337
  188    HD1  HIS  26           HD1      HIS  26   4.051  10.058   2.978
  189    HD2  HIS  26           HD2      HIS  26   2.322   9.708   6.767
  190    HE1  HIS  26           HE1      HIS  26   5.058   7.934   4.034
  191    H    SER  27           H        SER  27   0.062  13.238   1.927
  192    HA   SER  27           HA       SER  27  -1.335  14.662   3.977
  193   1HB   SER  27          1HB       SER  27  -1.913  16.200   2.000
  194   2HB   SER  27          2HB       SER  27  -0.215  16.056   2.407
  195    HG   SER  27           HG       SER  27  -1.531  15.353   0.072
  196    H    THR  28           H        THR  28  -1.967  12.157   1.654
  197    HA   THR  28           HA       THR  28  -4.857  12.691   1.782
  198    HB   THR  28           HB       THR  28  -4.895  11.158  -0.230
  199    HG1  THR  28           HG1      THR  28  -2.813  10.425  -0.937
  200   1HG2  THR  28          1HG2      THR  28  -2.834  13.419  -0.427
  201   2HG2  THR  28          2HG2      THR  28  -3.630  12.628  -1.809
  202   3HG2  THR  28          3HG2      THR  28  -4.588  13.603  -0.668
  203    H    HIS  29           H        HIS  29  -3.069  11.565   3.864
  204    HA   HIS  29           HA       HIS  29  -4.802   9.299   4.567
  205   1HB   HIS  29          1HB       HIS  29  -1.785   8.955   4.130
  206   2HB   HIS  29          2HB       HIS  29  -2.867   7.755   4.958
  207    HD1  HIS  29           HD1      HIS  29  -1.494   8.643   1.759
  208    HD2  HIS  29           HD2      HIS  29  -4.943   6.695   3.092
  209    HE1  HIS  29           HE1      HIS  29  -2.398   7.320  -0.260
  210    H    LYS  30           H        LYS  30  -4.557  11.943   5.622
  211    HA   LYS  30           HA       LYS  30  -3.023  11.537   8.077
  212   1HB   LYS  30          1HB       LYS  30  -2.392  13.602   7.357
  213   2HB   LYS  30          2HB       LYS  30  -3.888  13.896   6.494
  214   1HG   LYS  30          1HG       LYS  30  -4.001  13.725   9.506
  215   2HG   LYS  30          2HG       LYS  30  -3.317  15.171   8.790
  216   1HD   LYS  30          1HD       LYS  30  -5.613  14.803   7.259
  217   2HD   LYS  30          2HD       LYS  30  -6.135  14.238   8.833
  218   1HE   LYS  30          1HE       LYS  30  -4.561  16.760   8.926
  219   2HE   LYS  30          2HE       LYS  30  -6.067  16.898   8.040
  220   1HZ   LYS  30          1HZ       LYS  30  -5.921  15.689  10.709
  221   2HZ   LYS  30          2HZ       LYS  30  -6.201  17.281  10.475
  222   3HZ   LYS  30          3HZ       LYS  30  -7.258  16.174   9.906
  223    H    ASP  31           H        ASP  31  -6.299  11.873   6.731
  224    HA   ASP  31           HA       ASP  31  -7.451  12.109   9.328
  225   1HB   ASP  31          1HB       ASP  31  -9.482  12.419   8.204
  226   2HB   ASP  31          2HB       ASP  31  -8.336  12.991   7.008
  227    H    VAL  32           H        VAL  32  -5.850   9.640   7.931
  228    HA   VAL  32           HA       VAL  32  -7.833   7.557   8.279
  229    HB   VAL  32           HB       VAL  32  -5.057   7.775   7.189
  230   1HG1  VAL  32          1HG1      VAL  32  -6.322   5.284   8.318
  231   2HG1  VAL  32          2HG1      VAL  32  -5.220   5.189   6.923
  232   3HG1  VAL  32          3HG1      VAL  32  -4.647   5.870   8.465
  233   1HG2  VAL  32          1HG2      VAL  32  -7.102   8.089   5.774
  234   2HG2  VAL  32          2HG2      VAL  32  -6.036   6.771   5.232
  235   3HG2  VAL  32          3HG2      VAL  32  -7.537   6.396   6.112
  236    H    LYS  33           H        LYS  33  -4.453   8.132   9.504
  237    HA   LYS  33           HA       LYS  33  -4.849   8.214  12.127
  238   1HB   LYS  33          1HB       LYS  33  -5.595   5.531  11.174
  239   2HB   LYS  33          2HB       LYS  33  -4.425   5.512  12.478
  240   1HG   LYS  33          1HG       LYS  33  -5.896   6.435  14.012
  241   2HG   LYS  33          2HG       LYS  33  -6.694   7.436  12.814
  242   1HD   LYS  33          1HD       LYS  33  -8.383   5.928  12.738
  243   2HD   LYS  33          2HD       LYS  33  -7.274   4.766  12.038
  244   1HE   LYS  33          1HE       LYS  33  -7.842   3.553  13.920
  245   2HE   LYS  33          2HE       LYS  33  -6.538   4.484  14.630
  246   1HZ   LYS  33          1HZ       LYS  33  -8.590   6.138  14.924
  247   2HZ   LYS  33          2HZ       LYS  33  -9.359   4.703  15.060
  248   3HZ   LYS  33          3HZ       LYS  33  -8.120   5.064  16.061
  249    H    CYS  34           H        CYS  34  -2.867   8.182  13.252
  250    HA   CYS  34           HA       CYS  34  -0.596   7.923  11.478
  251   1HB   CYS  34          1HB       CYS  34  -1.148   9.873  13.154
  252   2HB   CYS  34          2HB       CYS  34  -0.398   8.813  14.332
  253    H    ASP  35           H        ASP  35  -1.939   5.471  12.128
  254    HA   ASP  35           HA       ASP  35   0.213   3.987  13.035
  255   1HB   ASP  35          1HB       ASP  35  -0.428   3.270  15.205
  256   2HB   ASP  35          2HB       ASP  35  -0.675   5.004  15.242
  257    H    ASP  36           H        ASP  36  -1.601   4.023  10.815
  258    HA   ASP  36           HA       ASP  36  -3.289   1.714  11.366
  259   1HB   ASP  36          1HB       ASP  36  -4.722   3.356  10.495
  260   2HB   ASP  36          2HB       ASP  36  -3.478   4.055   9.479
  261    H    CYS  37           H        CYS  37  -0.644   3.126   9.456
  262    HA   CYS  37           HA       CYS  37  -0.488   0.663   7.883
  263   1HB   CYS  37          1HB       CYS  37   0.887   3.288   7.251
  264   2HB   CYS  37          2HB       CYS  37   0.731   1.884   6.215
  265    H    HIS  38           H        HIS  38   0.956   2.794  10.205
  266    HA   HIS  38           HA       HIS  38   3.566   1.371  10.166
  267   1HB   HIS  38          1HB       HIS  38   2.521   3.881  11.579
  268   2HB   HIS  38          2HB       HIS  38   4.160   3.160  11.883
  269    HD1  HIS  38           HD1      HIS  38   5.758   3.131   9.790
  270    HD2  HIS  38           HD2      HIS  38   2.408   5.607   9.443
  271    HE1  HIS  38           HE1      HIS  38   6.271   4.769   7.867
  272    H    HIS  39           H        HIS  39   2.968  -0.622  10.917
  273    HA   HIS  39           HA       HIS  39   1.933  -0.758  13.726
  274   1HB   HIS  39          1HB       HIS  39   0.890  -2.758  13.216
  275   2HB   HIS  39          2HB       HIS  39   0.727  -1.833  11.662
  276    HD1  HIS  39           HD1      HIS  39   2.425  -4.771  13.205
  277    HD2  HIS  39           HD2      HIS  39   2.054  -2.962   9.455
  278    HE1  HIS  39           HE1      HIS  39   3.369  -6.456  11.498
  279    H    GLN  40           H        GLN  40   4.709  -0.045  13.054
  280    HA   GLN  40           HA       GLN  40   6.032  -2.473  13.980
  281   1HB   GLN  40          1HB       GLN  40   7.057  -0.107  12.369
  282   2HB   GLN  40          2HB       GLN  40   8.149  -1.231  13.152
  283   1HG   GLN  40          1HG       GLN  40   7.715  -2.912  11.648
  284   2HG   GLN  40          2HG       GLN  40   6.001  -2.557  11.587
  285   2HE2  GLN  40          1HE2      GLN  40   5.370  -0.529  10.464
  286   1HE2  GLN  40          2HE2      GLN  40   6.203  -0.093   9.010
  287    HA   PRO  41           HA       PRO  41   6.165   0.198  17.646
  288   1HB   PRO  41          1HB       PRO  41   5.840  -1.760  19.481
  289   2HB   PRO  41          2HB       PRO  41   4.473  -1.238  18.444
  290   1HG   PRO  41          1HG       PRO  41   6.336  -3.181  18.158
  291   2HG   PRO  41          2HG       PRO  41   4.685  -3.831  17.894
  292   1HD   PRO  41          1HD       PRO  41   6.112  -3.401  15.740
  293   2HD   PRO  41          2HD       PRO  41   4.526  -2.572  15.782
  294    H    GLY  42           H        GLY  42   8.186   0.886  18.343
  295   1HA   GLY  42          2HA       GLY  42  10.304  -1.176  18.469
  296   2HA   GLY  42          1HA       GLY  42  10.076   0.021  19.729
  297    H    ASP  43           H        ASP  43  11.776  -0.706  16.895
  298    HA   ASP  43           HA       ASP  43  12.331   2.130  16.495
  299   1HB   ASP  43          1HB       ASP  43  14.094   0.257  17.444
  300   2HB   ASP  43          2HB       ASP  43  14.376   0.080  15.724
  301    H    LYS  44           H        LYS  44  10.830  -0.554  15.215
  302    HA   LYS  44           HA       LYS  44  11.829  -0.231  12.503
  303   1HB   LYS  44          1HB       LYS  44  10.330  -2.306  14.007
  304   2HB   LYS  44          2HB       LYS  44   9.881  -2.112  12.325
  305   1HG   LYS  44          1HG       LYS  44  12.142  -2.520  11.567
  306   2HG   LYS  44          2HG       LYS  44  12.794  -2.349  13.185
  307   1HD   LYS  44          1HD       LYS  44  10.837  -4.549  12.370
  308   2HD   LYS  44          2HD       LYS  44  12.577  -4.753  12.384
  309   1HE   LYS  44          1HE       LYS  44  12.174  -3.730  14.913
  310   2HE   LYS  44          2HE       LYS  44  10.668  -4.596  14.675
  311   1HZ   LYS  44          1HZ       LYS  44  12.052  -6.519  14.002
  312   2HZ   LYS  44          2HZ       LYS  44  13.380  -5.698  14.480
  313   3HZ   LYS  44          3HZ       LYS  44  12.226  -6.087  15.568
  314    H    GLN  45           H        GLN  45   9.774   1.426  14.490
  315    HA   GLN  45           HA       GLN  45   7.381   1.611  13.331
  316   1HB   GLN  45          1HB       GLN  45   8.165   2.911  15.318
  317   2HB   GLN  45          2HB       GLN  45   9.078   3.970  14.262
  318   1HG   GLN  45          1HG       GLN  45   7.214   5.124  13.590
  319   2HG   GLN  45          2HG       GLN  45   6.246   3.671  13.440
  320   2HE2  GLN  45          1HE2      GLN  45   4.830   3.152  14.963
  321   1HE2  GLN  45          2HE2      GLN  45   4.620   3.956  16.483
  322    H    TYR  46           H        TYR  46  10.430   3.018  12.192
  323    HA   TYR  46           HA       TYR  46   9.061   3.868   9.684
  324   1HB   TYR  46          1HB       TYR  46  11.616   4.879  10.976
  325   2HB   TYR  46          2HB       TYR  46  10.956   5.439   9.431
  326    HD1  TYR  46           HD1      TYR  46   8.108   5.734   9.943
  327    HD2  TYR  46           HD2      TYR  46  11.446   6.629  12.494
  328    HE1  TYR  46           HE1      TYR  46   6.741   7.423  11.139
  329    HE2  TYR  46           HE2      TYR  46  10.080   8.319  13.689
  330    HH   TYR  46           HH       TYR  46   7.910   9.116  14.023
  331    H    ALA  47           H        ALA  47  10.132   1.099  10.459
  332    HA   ALA  47           HA       ALA  47  12.466   0.912   8.746
  333   1HB   ALA  47          3HB       ALA  47  12.723  -0.425  10.637
  334   2HB   ALA  47          2HB       ALA  47  12.086  -1.600   9.461
  335   3HB   ALA  47          1HB       ALA  47  11.003  -0.881  10.677
  336    H    GLY  48           H        GLY  48  12.494  -0.027   6.704
  337   1HA   GLY  48          2HA       GLY  48  11.703  -0.876   4.774
  338   2HA   GLY  48          1HA       GLY  48  10.311   0.148   5.065
  339    H    CYS  49           H        CYS  49   8.717  -1.276   4.276
  340    HA   CYS  49           HA       CYS  49   8.055  -3.397   6.103
  341   1HB   CYS  49          1HB       CYS  49   6.451  -2.918   3.646
  342   2HB   CYS  49          2HB       CYS  49   5.934  -3.305   5.275
  343    H    THR  50           H        THR  50  10.270  -4.412   5.314
  344    HA   THR  50           HA       THR  50   9.591  -6.529   3.514
  345    HB   THR  50           HB       THR  50  11.636  -5.889   2.005
  346    HG1  THR  50           HG1      THR  50  10.806  -3.348   3.218
  347   1HG2  THR  50          1HG2      THR  50   9.026  -5.504   1.518
  348   2HG2  THR  50          2HG2      THR  50   9.461  -3.796   1.766
  349   3HG2  THR  50          3HG2      THR  50  10.255  -4.739   0.482
  350    H    THR  51           H        THR  51  12.018  -4.744   5.453
  351    HA   THR  51           HA       THR  51  14.094  -6.324   5.703
  352    HB   THR  51           HB       THR  51  13.686  -5.894   8.335
  353    HG1  THR  51           HG1      THR  51  11.688  -4.976   8.559
  354   1HG2  THR  51          1HG2      THR  51  14.795  -4.351   6.253
  355   2HG2  THR  51          2HG2      THR  51  13.594  -3.266   6.995
  356   3HG2  THR  51          3HG2      THR  51  14.890  -3.973   7.990
  357    H    ASP  52           H        ASP  52  14.791  -8.283   6.521
  358    HA   ASP  52           HA       ASP  52  13.396 -10.451   6.147
  359   1HB   ASP  52          1HB       ASP  52  15.803 -10.148   7.083
  360   2HB   ASP  52          2HB       ASP  52  15.074 -10.188   8.676
  361    H    GLY  53           H        GLY  53  12.109 -11.967   7.529
  362   1HA   GLY  53          2HA       GLY  53  11.270 -11.425  10.130
  363   2HA   GLY  53          1HA       GLY  53  10.458 -12.457   8.970
  364    H    CYS  54           H        CYS  54   9.921 -10.443   6.929
  365    HA   CYS  54           HA       CYS  54   7.668  -9.205   8.234
  366   1HB   CYS  54          1HB       CYS  54   9.572  -7.453   6.654
  367   2HB   CYS  54          2HB       CYS  54   8.122  -6.958   7.504
  368    H    HIS  55           H        HIS  55   7.990  -7.459   5.593
  369    HA   HIS  55           HA       HIS  55   6.677  -9.478   3.816
  370   1HB   HIS  55          1HB       HIS  55   6.546  -6.429   3.595
  371   2HB   HIS  55          2HB       HIS  55   5.472  -7.673   2.822
  372    HD1  HIS  55           HD1      HIS  55   3.697  -8.741   4.305
  373    HD2  HIS  55           HD2      HIS  55   5.815  -5.668   6.188
  374    HE1  HIS  55           HE1      HIS  55   2.339  -8.113   6.403
  375    H    ASN  56           H        ASN  56   9.212 -10.044   3.672
  376    HA   ASN  56           HA       ASN  56  10.596  -8.305   1.884
  377   1HB   ASN  56          1HB       ASN  56  11.671  -9.763   3.725
  378   2HB   ASN  56          2HB       ASN  56  11.339 -11.156   2.714
  379   2HD2  ASN  56          1HD2      ASN  56  13.771 -11.167   3.075
  380   1HD2  ASN  56          2HD2      ASN  56  14.753 -10.424   1.857
  381    H    ILE  57           H        ILE  57   9.142 -11.636   1.894
  382    HA   ILE  57           HA       ILE  57   9.778 -12.580  -0.523
  383    HB   ILE  57           HB       ILE  57   7.148 -12.664   0.941
  384   1HG1  ILE  57          1HG1      ILE  57   9.699 -14.022   1.189
  385   2HG1  ILE  57          2HG1      ILE  57   8.324 -14.008   2.276
  386   1HG2  ILE  57          1HG2      ILE  57   7.971 -14.233  -1.518
  387   2HG2  ILE  57          2HG2      ILE  57   6.566 -14.599  -0.488
  388   3HG2  ILE  57          3HG2      ILE  57   6.635 -13.064  -1.386
  389   1HD1  ILE  57          1HD1      ILE  57   8.503 -15.729  -0.240
  390   2HD1  ILE  57          2HD1      ILE  57   8.854 -16.302   1.408
  391   3HD1  ILE  57          3HD1      ILE  57   7.209 -15.774   0.981
  392    H    LEU  58           H        LEU  58   9.850 -11.698  -2.513
  393    HA   LEU  58           HA       LEU  58   7.848  -9.646  -3.122
  394   1HB   LEU  58          1HB       LEU  58  10.476 -10.169  -4.510
  395   2HB   LEU  58          2HB       LEU  58   9.395  -8.811  -4.756
  396    HG   LEU  58           HG       LEU  58  11.046  -9.403  -2.288
  397   1HD1  LEU  58          1HD1      LEU  58  11.317  -7.565  -4.613
  398   2HD1  LEU  58          2HD1      LEU  58  11.786  -6.942  -3.012
  399   3HD1  LEU  58          3HD1      LEU  58  12.559  -8.409  -3.658
  400   1HD2  LEU  58          1HD2      LEU  58   8.806  -8.508  -1.697
  401   2HD2  LEU  58          2HD2      LEU  58  10.145  -7.416  -1.272
  402   3HD2  LEU  58          3HD2      LEU  58   9.145  -7.082  -2.707
  403    H    ASP  59           H        ASP  59   6.974 -12.320  -3.109
  404    HA   ASP  59           HA       ASP  59   6.523 -12.627  -5.957
  405   1HB   ASP  59          1HB       ASP  59   6.963 -14.958  -5.950
  406   2HB   ASP  59          2HB       ASP  59   8.286 -14.281  -5.023
  407    H    LYS  60           H        LYS  60   4.340 -13.268  -6.409
  408    HA   LYS  60           HA       LYS  60   2.589 -13.259  -4.086
  409   1HB   LYS  60          1HB       LYS  60   0.890 -12.571  -5.517
  410   2HB   LYS  60          2HB       LYS  60   2.306 -11.766  -6.163
  411   1HG   LYS  60          1HG       LYS  60   2.333 -14.235  -7.489
  412   2HG   LYS  60          2HG       LYS  60   0.623 -13.867  -7.384
  413   1HD   LYS  60          1HD       LYS  60   1.039 -11.617  -8.388
  414   2HD   LYS  60          2HD       LYS  60   2.754 -11.968  -8.478
  415   1HE   LYS  60          1HE       LYS  60   2.517 -13.301 -10.331
  416   2HE   LYS  60          2HE       LYS  60   1.068 -14.072  -9.716
  417   1HZ   LYS  60          1HZ       LYS  60  -0.039 -11.877 -10.227
  418   2HZ   LYS  60          2HZ       LYS  60   1.283 -11.513 -11.113
  419   3HZ   LYS  60          3HZ       LYS  60   0.371 -12.811 -11.502
  420    H    ALA  61           H        ALA  61   4.258 -15.555  -4.342
  421    HA   ALA  61           HA       ALA  61   2.336 -17.565  -5.288
  422   1HB   ALA  61          2HB       ALA  61   4.833 -18.772  -4.778
  423   2HB   ALA  61          3HB       ALA  61   4.130 -18.385  -6.367
  424   3HB   ALA  61          1HB       ALA  61   5.211 -17.221  -5.565
  425    H    ASP  62           H        ASP  62   4.190 -16.265  -2.557
  426    HA   ASP  62           HA       ASP  62   3.696 -18.515  -0.913
  427   1HB   ASP  62          1HB       ASP  62   5.539 -16.611  -0.773
  428   2HB   ASP  62          2HB       ASP  62   4.315 -15.732   0.120
  429    H    LYS  63           H        LYS  63   1.848 -18.865   0.359
  430    HA   LYS  63           HA       LYS  63  -0.209 -16.815   0.247
  431   1HB   LYS  63          1HB       LYS  63  -0.123 -19.746   0.476
  432   2HB   LYS  63          2HB       LYS  63  -1.285 -18.996   1.551
  433   1HG   LYS  63          1HG       LYS  63  -1.117 -18.209  -1.384
  434   2HG   LYS  63          2HG       LYS  63  -2.062 -19.592  -0.868
  435   1HD   LYS  63          1HD       LYS  63  -2.918 -17.674   0.930
  436   2HD   LYS  63          2HD       LYS  63  -2.591 -16.685  -0.479
  437   1HE   LYS  63          1HE       LYS  63  -4.008 -18.265  -1.864
  438   2HE   LYS  63          2HE       LYS  63  -4.396 -19.150  -0.403
  439   1HZ   LYS  63          1HZ       LYS  63  -4.818 -16.318  -0.245
  440   2HZ   LYS  63          2HZ       LYS  63  -5.794 -17.095  -1.298
  441   3HZ   LYS  63          3HZ       LYS  63  -5.765 -17.544   0.272
  442    H    SER  64           H        SER  64   2.104 -16.156   1.792
  443    HA   SER  64           HA       SER  64   0.990 -16.403   4.477
  444   1HB   SER  64          1HB       SER  64   3.265 -16.131   5.344
  445   2HB   SER  64          2HB       SER  64   3.226 -17.461   4.203
  446    HG   SER  64           HG       SER  64   3.821 -15.517   2.618
  447    H    VAL  65           H        VAL  65   1.726 -14.412   5.922
  448    HA   VAL  65           HA       VAL  65   0.996 -12.044   4.402
  449    HB   VAL  65           HB       VAL  65   1.269 -12.528   7.376
  450   1HG1  VAL  65          1HG1      VAL  65   0.562 -10.135   5.738
  451   2HG1  VAL  65          2HG1      VAL  65  -0.380 -10.424   7.221
  452   3HG1  VAL  65          3HG1      VAL  65   1.389 -10.248   7.310
  453   1HG2  VAL  65          1HG2      VAL  65  -1.130 -12.612   5.525
  454   2HG2  VAL  65          2HG2      VAL  65  -0.504 -13.908   6.572
  455   3HG2  VAL  65          3HG2      VAL  65  -1.261 -12.468   7.294
  456    H    ASN  66           H        ASN  66   3.600 -13.175   3.874
  457    HA   ASN  66           HA       ASN  66   5.234 -11.088   5.091
  458   1HB   ASN  66          1HB       ASN  66   6.212 -13.788   4.028
  459   2HB   ASN  66          2HB       ASN  66   7.173 -12.603   4.891
  460   2HD2  ASN  66          1HD2      ASN  66   6.136 -11.893   7.044
  461   1HD2  ASN  66          2HD2      ASN  66   5.590 -13.162   8.089
  462    H    SER  67           H        SER  67   3.501 -11.566   2.461
  463    HA   SER  67           HA       SER  67   5.642 -11.191   0.537
  464   1HB   SER  67          1HB       SER  67   2.980 -12.419   0.470
  465   2HB   SER  67          2HB       SER  67   3.174 -11.262  -0.832
  466    HG   SER  67           HG       SER  67   3.937 -13.260  -1.582
  467    H    TRP  68           H        TRP  68   6.187  -9.074   0.160
  468    HA   TRP  68           HA       TRP  68   4.811  -6.887   1.042
  469   1HB   TRP  68          1HB       TRP  68   7.095  -6.744   0.366
  470   2HB   TRP  68          2HB       TRP  68   6.712  -7.212  -1.279
  471    HD1  TRP  68           HD1      TRP  68   6.804  -5.139  -2.849
  472    HE1  TRP  68           HE1      TRP  68   6.274  -2.555  -2.765
  473    HE3  TRP  68           HE3      TRP  68   5.273  -5.076   1.999
  474    HZ2  TRP  68           HZ2      TRP  68   5.297  -0.814  -0.726
  475    HZ3  TRP  68           HZ3      TRP  68   4.547  -2.894   2.960
  476    HH2  TRP  68           HH2      TRP  68   4.543  -0.811   1.681
  477    H    TYR  69           H        TYR  69   4.266  -8.979  -1.684
  478    HA   TYR  69           HA       TYR  69   2.302  -7.112  -2.881
  479   1HB   TYR  69          1HB       TYR  69   4.002  -8.235  -4.313
  480   2HB   TYR  69          2HB       TYR  69   3.331  -9.804  -3.838
  481    HD1  TYR  69           HD1      TYR  69   2.644  -6.660  -5.687
  482    HD2  TYR  69           HD2      TYR  69   1.320 -10.653  -4.819
  483    HE1  TYR  69           HE1      TYR  69   0.996  -6.514  -7.534
  484    HE2  TYR  69           HE2      TYR  69  -0.328 -10.507  -6.667
  485    HH   TYR  69           HH       TYR  69  -1.588  -8.452  -7.931
  486    H    LYS  70           H        LYS  70   1.528  -8.038  -0.311
  487    HA   LYS  70           HA       LYS  70  -0.712  -9.729  -1.114
  488   1HB   LYS  70          1HB       LYS  70   1.177 -11.101  -0.068
  489   2HB   LYS  70          2HB       LYS  70   0.832 -10.262   1.431
  490   1HG   LYS  70          1HG       LYS  70  -0.623 -12.030   1.722
  491   2HG   LYS  70          2HG       LYS  70  -1.700 -10.985   0.816
  492   1HD   LYS  70          1HD       LYS  70  -1.546 -12.258  -1.124
  493   2HD   LYS  70          2HD       LYS  70   0.107 -12.746  -0.807
  494   1HE   LYS  70          1HE       LYS  70  -2.283 -13.771   0.795
  495   2HE   LYS  70          2HE       LYS  70  -1.621 -14.611  -0.593
  496   1HZ   LYS  70          1HZ       LYS  70   0.076 -13.848   1.665
  497   2HZ   LYS  70          2HZ       LYS  70  -0.763 -15.250   1.664
  498   3HZ   LYS  70          3HZ       LYS  70   0.366 -14.973   0.517
  499    H    VAL  71           H        VAL  71   0.762  -7.929   1.683
  500    HA   VAL  71           HA       VAL  71  -1.804  -7.204   2.671
  501    HB   VAL  71           HB       VAL  71  -0.666  -6.300   4.432
  502   1HG1  VAL  71          1HG1      VAL  71   0.152  -8.720   3.687
  503   2HG1  VAL  71          2HG1      VAL  71   1.715  -7.880   3.544
  504   3HG1  VAL  71          3HG1      VAL  71   0.848  -7.889   5.099
  505   1HG2  VAL  71          1HG2      VAL  71   1.277  -5.364   2.366
  506   2HG2  VAL  71          2HG2      VAL  71   0.527  -4.485   3.720
  507   3HG2  VAL  71          3HG2      VAL  71   1.882  -5.598   4.024
  508    H    VAL  72           H        VAL  72  -0.129  -6.259  -0.072
  509    HA   VAL  72           HA       VAL  72  -0.935  -3.465   0.127
  510    HB   VAL  72           HB       VAL  72   0.825  -5.066  -1.712
  511   1HG1  VAL  72          1HG1      VAL  72  -0.579  -3.630  -3.144
  512   2HG1  VAL  72          2HG1      VAL  72  -0.099  -2.210  -2.183
  513   3HG1  VAL  72          3HG1      VAL  72   1.119  -3.096  -3.132
  514   1HG2  VAL  72          1HG2      VAL  72   1.363  -3.688   0.593
  515   2HG2  VAL  72          2HG2      VAL  72   2.545  -4.023  -0.695
  516   3HG2  VAL  72          3HG2      VAL  72   1.701  -2.456  -0.647
  517    H    HIS  73           H        HIS  73  -1.536  -6.471  -1.604
  518    HA   HIS  73           HA       HIS  73  -3.875  -5.198  -2.980
  519   1HB   HIS  73          1HB       HIS  73  -2.274  -7.717  -3.701
  520   2HB   HIS  73          2HB       HIS  73  -3.674  -7.025  -4.629
  521    HD1  HIS  73           HD1      HIS  73  -0.047  -6.767  -4.131
  522    HD2  HIS  73           HD2      HIS  73  -3.056  -4.580  -6.037
  523    HE1  HIS  73           HE1      HIS  73   1.152  -5.136  -5.727
  524    H    ASP  74           H        ASP  74  -3.411  -6.515  -0.122
  525    HA   ASP  74           HA       ASP  74  -5.050  -8.801  -0.206
  526   1HB   ASP  74          1HB       ASP  74  -3.644  -7.159   1.815
  527   2HB   ASP  74          2HB       ASP  74  -5.159  -7.805   2.412
  528    H    ALA  75           H        ALA  75  -6.693  -7.335  -1.604
  529    HA   ALA  75           HA       ALA  75  -8.185  -5.317  -0.565
  530   1HB   ALA  75          2HB       ALA  75  -9.356  -7.600  -2.185
  531   2HB   ALA  75          1HB       ALA  75  -8.228  -6.415  -2.885
  532   3HB   ALA  75          3HB       ALA  75  -9.792  -5.875  -2.231
  533    H    LYS  76           H        LYS  76  -8.167  -8.745   0.322
  534    HA   LYS  76           HA       LYS  76 -10.658  -8.950   1.493
  535   1HB   LYS  76          1HB       LYS  76  -9.278 -10.880   1.100
  536   2HB   LYS  76          2HB       LYS  76  -8.016 -10.274   2.153
  537   1HG   LYS  76          1HG       LYS  76 -10.002 -10.226   3.958
  538   2HG   LYS  76          2HG       LYS  76 -10.715 -11.414   2.886
  539   1HD   LYS  76          1HD       LYS  76  -9.455 -12.703   4.446
  540   2HD   LYS  76          2HD       LYS  76  -8.466 -12.679   3.000
  541   1HE   LYS  76          1HE       LYS  76  -7.402 -10.502   4.120
  542   2HE   LYS  76          2HE       LYS  76  -8.060 -11.177   5.597
  543   1HZ   LYS  76          1HZ       LYS  76  -6.874 -13.281   4.393
  544   2HZ   LYS  76          2HZ       LYS  76  -5.845 -12.055   4.069
  545   3HZ   LYS  76          3HZ       LYS  76  -6.240 -12.403   5.615
  546    H    GLY  77           H        GLY  77  -7.509  -8.165   3.141
  547   1HA   GLY  77          2HA       GLY  77  -8.944  -6.287   4.861
  548   2HA   GLY  77          1HA       GLY  77  -7.209  -6.453   4.675
  549    H    GLY  78           H        GLY  78  -6.398  -6.951   6.677
  550   1HA   GLY  78          2HA       GLY  78  -5.944  -8.921   8.042
  551   2HA   GLY  78          1HA       GLY  78  -7.671  -9.213   8.099
  552    H    ALA  79           H        ALA  79  -5.495  -8.541  10.215
  553    HA   ALA  79           HA       ALA  79  -7.140  -7.150  11.960
  554   1HB   ALA  79          3HB       ALA  79  -5.573  -8.043  13.298
  555   2HB   ALA  79          2HB       ALA  79  -4.444  -6.777  12.760
  556   3HB   ALA  79          1HB       ALA  79  -4.501  -8.339  11.908
  557    H    LYS  80           H        LYS  80  -4.930  -6.049   9.434
  558    HA   LYS  80           HA       LYS  80  -5.652  -3.306  10.148
  559   1HB   LYS  80          1HB       LYS  80  -3.150  -4.294  10.678
  560   2HB   LYS  80          2HB       LYS  80  -2.925  -3.638   9.069
  561   1HG   LYS  80          1HG       LYS  80  -2.486  -1.949  10.873
  562   2HG   LYS  80          2HG       LYS  80  -3.749  -1.444   9.769
  563   1HD   LYS  80          1HD       LYS  80  -5.299  -1.380  11.431
  564   2HD   LYS  80          2HD       LYS  80  -4.893  -2.999  11.966
  565   1HE   LYS  80          1HE       LYS  80  -2.694  -1.655  12.888
  566   2HE   LYS  80          2HE       LYS  80  -3.872  -0.359  12.952
  567   1HZ   LYS  80          1HZ       LYS  80  -5.317  -2.090  14.100
  568   2HZ   LYS  80          2HZ       LYS  80  -3.933  -2.924  14.341
  569   3HZ   LYS  80          3HZ       LYS  80  -4.100  -1.421  14.958
  570    HA   PRO  81           HA       PRO  81  -7.109  -3.129   6.038
  571   1HB   PRO  81          1HB       PRO  81  -6.669  -0.384   5.667
  572   2HB   PRO  81          2HB       PRO  81  -8.056  -1.100   6.552
  573   1HG   PRO  81          1HG       PRO  81  -5.569   0.078   7.826
  574   2HG   PRO  81          2HG       PRO  81  -7.320   0.200   8.199
  575   1HD   PRO  81          1HD       PRO  81  -5.645  -1.570   9.481
  576   2HD   PRO  81          2HD       PRO  81  -7.348  -1.983   9.114
  577    H    THR  82           H        THR  82  -6.278  -2.748   3.808
  578    HA   THR  82           HA       THR  82  -3.335  -2.684   3.810
  579    HB   THR  82           HB       THR  82  -3.703  -3.910   1.581
  580    HG1  THR  82           HG1      THR  82  -5.890  -4.451   1.166
  581   1HG2  THR  82          1HG2      THR  82  -4.375  -4.948   4.295
  582   2HG2  THR  82          2HG2      THR  82  -5.070  -5.890   2.955
  583   3HG2  THR  82          3HG2      THR  82  -3.310  -5.646   3.052
  584    H    CYS  83           H        CYS  83  -4.625  -2.413   0.697
  585    HA   CYS  83           HA       CYS  83  -4.470   0.505   0.840
  586   1HB   CYS  83          1HB       CYS  83  -3.199  -1.222  -1.294
  587   2HB   CYS  83          2HB       CYS  83  -3.253   0.529  -1.286
  588    H    ILE  84           H        ILE  84  -5.481  -2.487  -0.922
  589    HA   ILE  84           HA       ILE  84  -7.343  -1.003  -2.539
  590    HB   ILE  84           HB       ILE  84  -6.318  -3.779  -2.377
  591   1HG1  ILE  84          1HG1      ILE  84  -6.869  -1.798  -4.600
  592   2HG1  ILE  84          2HG1      ILE  84  -5.310  -2.246  -3.937
  593   1HG2  ILE  84          1HG2      ILE  84  -9.023  -3.119  -3.574
  594   2HG2  ILE  84          2HG2      ILE  84  -8.122  -4.634  -3.823
  595   3HG2  ILE  84          3HG2      ILE  84  -8.700  -4.199  -2.196
  596   1HD1  ILE  84          1HD1      ILE  84  -6.002  -4.702  -4.626
  597   2HD1  ILE  84          2HD1      ILE  84  -7.162  -3.873  -5.691
  598   3HD1  ILE  84          3HD1      ILE  84  -5.417  -3.574  -5.873
  599    H    SER  85           H        SER  85  -7.303  -2.945   0.445
  600    HA   SER  85           HA       SER  85  -9.951  -3.542   0.633
  601   1HB   SER  85          1HB       SER  85  -9.536  -3.452   3.154
  602   2HB   SER  85          2HB       SER  85  -8.439  -4.465   2.237
  603    HG   SER  85           HG       SER  85  -7.177  -2.203   2.182
  604    H    CYS  86           H        CYS  86  -8.522  -0.940   2.712
  605    HA   CYS  86           HA       CYS  86 -10.733   0.374   3.356
  606   1HB   CYS  86          1HB       CYS  86  -8.482   0.977   4.150
  607   2HB   CYS  86          2HB       CYS  86  -8.102   1.685   2.592
  608    H    HIS  87           H        HIS  87  -8.700   1.189   0.530
  609    HA   HIS  87           HA       HIS  87 -10.245   3.119  -0.717
  610   1HB   HIS  87          1HB       HIS  87  -8.364   0.946  -1.689
  611   2HB   HIS  87          2HB       HIS  87  -9.262   1.957  -2.901
  612    HD1  HIS  87           HD1      HIS  87  -7.573   3.427  -3.789
  613    HD2  HIS  87           HD2      HIS  87  -7.333   3.251   0.380
  614    HE1  HIS  87           HE1      HIS  87  -5.796   5.161  -3.098
  615    H    LYS  88           H        LYS  88 -10.501  -0.483  -1.356
  616    HA   LYS  88           HA       LYS  88 -12.684  -0.301  -3.039
  617   1HB   LYS  88          1HB       LYS  88 -11.341  -2.303  -2.859
  618   2HB   LYS  88          2HB       LYS  88 -11.787  -2.518  -1.178
  619   1HG   LYS  88          1HG       LYS  88 -14.163  -2.840  -1.818
  620   2HG   LYS  88          2HG       LYS  88 -13.774  -2.535  -3.500
  621   1HD   LYS  88          1HD       LYS  88 -12.924  -4.640  -3.822
  622   2HD   LYS  88          2HD       LYS  88 -12.087  -4.646  -2.282
  623   1HE   LYS  88          1HE       LYS  88 -14.112  -5.257  -1.081
  624   2HE   LYS  88          2HE       LYS  88 -15.114  -4.962  -2.488
  625   1HZ   LYS  88          1HZ       LYS  88 -12.972  -6.891  -2.761
  626   2HZ   LYS  88          2HZ       LYS  88 -14.276  -7.336  -1.883
  627   3HZ   LYS  88          3HZ       LYS  88 -14.457  -6.883  -3.442
  628    H    ASP  89           H        ASP  89 -12.432  -0.060   0.489
  629    HA   ASP  89           HA       ASP  89 -15.247  -0.391   0.820
  630   1HB   ASP  89          1HB       ASP  89 -13.151  -0.808   2.477
  631   2HB   ASP  89          2HB       ASP  89 -13.493   0.848   2.935
  632    H    LYS  90           H        LYS  90 -13.503   1.965  -0.624
  633    HA   LYS  90           HA       LYS  90 -15.264   4.077   0.372
  634   1HB   LYS  90          1HB       LYS  90 -12.293   4.424  -0.133
  635   2HB   LYS  90          2HB       LYS  90 -13.421   5.688   0.313
  636   1HG   LYS  90          1HG       LYS  90 -13.055   3.204   2.036
  637   2HG   LYS  90          2HG       LYS  90 -12.014   4.603   2.214
  638   1HD   LYS  90          1HD       LYS  90 -14.095   6.030   2.547
  639   2HD   LYS  90          2HD       LYS  90 -15.052   4.562   2.527
  640   1HE   LYS  90          1HE       LYS  90 -13.587   3.696   4.448
  641   2HE   LYS  90          2HE       LYS  90 -12.869   5.292   4.533
  642   1HZ   LYS  90          1HZ       LYS  90 -15.340   6.009   4.638
  643   2HZ   LYS  90          2HZ       LYS  90 -15.582   4.483   5.170
  644   3HZ   LYS  90          3HZ       LYS  90 -14.580   5.483   5.985
  645    H    ALA  91           H        ALA  91 -16.401   3.087  -1.601
  646    HA   ALA  91           HA       ALA  91 -16.123   4.845  -3.741
  647   1HB   ALA  91          1HB       ALA  91 -14.650   2.227  -3.962
  648   2HB   ALA  91          3HB       ALA  91 -14.190   3.841  -4.556
  649   3HB   ALA  91          2HB       ALA  91 -15.443   2.904  -5.404
  650    H    GLY  92           H        GLY  92 -16.742   1.266  -3.586
  651   1HA   GLY  92          2HA       GLY  92 -19.609   1.865  -3.989
  652   2HA   GLY  92          1HA       GLY  92 -18.970   0.465  -3.151
  653    H    ASP  93           H        ASP  93 -20.812   0.382  -5.397
  654    HA   ASP  93           HA       ASP  93 -19.354  -1.439  -6.991
  655   1HB   ASP  93          1HB       ASP  93 -21.586  -1.548  -8.263
  656   2HB   ASP  93          2HB       ASP  93 -21.635  -1.999  -6.570
  657    H    ASP  94           H        ASP  94 -20.139   1.970  -7.059
  658    HA   ASP  94           HA       ASP  94 -20.353   2.435  -9.751
  659   1HB   ASP  94          1HB       ASP  94 -19.437   4.025  -7.360
  660   2HB   ASP  94          2HB       ASP  94 -19.118   4.704  -8.944
  661    H    LYS  95           H        LYS  95 -18.754   1.041 -10.834
  662    HA   LYS  95           HA       LYS  95 -16.118   0.792 -10.277
  663   1HB   LYS  95          1HB       LYS  95 -17.786   0.604 -12.729
  664   2HB   LYS  95          2HB       LYS  95 -16.058   0.738 -12.984
  665   1HG   LYS  95          1HG       LYS  95 -15.590  -1.286 -11.898
  666   2HG   LYS  95          2HG       LYS  95 -17.008  -1.193 -10.873
  667   1HD   LYS  95          1HD       LYS  95 -17.646  -2.871 -12.381
  668   2HD   LYS  95          2HD       LYS  95 -18.360  -1.456 -13.127
  669   1HE   LYS  95          1HE       LYS  95 -17.239  -2.122 -15.006
  670   2HE   LYS  95          2HE       LYS  95 -15.836  -1.399 -14.243
  671   1HZ   LYS  95          1HZ       LYS  95 -16.568  -4.164 -13.656
  672   2HZ   LYS  95          2HZ       LYS  95 -15.705  -3.803 -14.994
  673   3HZ   LYS  95          3HZ       LYS  95 -15.110  -3.443 -13.517
  674    H    GLU  96           H        GLU  96 -17.823   3.641 -11.429
  675    HA   GLU  96           HA       GLU  96 -15.750   4.956 -12.655
  676   1HB   GLU  96          1HB       GLU  96 -18.225   5.607 -12.531
  677   2HB   GLU  96          2HB       GLU  96 -17.899   6.268 -10.941
  678   1HG   GLU  96          1HG       GLU  96 -17.690   8.120 -12.444
  679   2HG   GLU  96          2HG       GLU  96 -16.045   7.681 -12.025
  680    H    LEU  97           H        LEU  97 -16.514   4.484  -9.199
  681    HA   LEU  97           HA       LEU  97 -14.314   6.261  -8.476
  682   1HB   LEU  97          1HB       LEU  97 -16.850   5.722  -7.378
  683   2HB   LEU  97          2HB       LEU  97 -15.689   5.040  -6.257
  684    HG   LEU  97           HG       LEU  97 -15.399   7.866  -7.273
  685   1HD1  LEU  97          1HD1      LEU  97 -17.634   6.974  -5.863
  686   2HD1  LEU  97          2HD1      LEU  97 -16.580   7.703  -4.627
  687   3HD1  LEU  97          3HD1      LEU  97 -17.076   8.655  -6.048
  688   1HD2  LEU  97          1HD2      LEU  97 -14.347   6.337  -4.888
  689   2HD2  LEU  97          2HD2      LEU  97 -13.432   7.098  -6.211
  690   3HD2  LEU  97          3HD2      LEU  97 -14.275   8.111  -5.014
  691    H    LYS  98           H        LYS  98 -14.572   3.212  -9.589
  692    HA   LYS  98           HA       LYS  98 -12.825   2.040  -7.562
  693   1HB   LYS  98          1HB       LYS  98 -14.159   0.703  -9.932
  694   2HB   LYS  98          2HB       LYS  98 -13.323  -0.085  -8.610
  695   1HG   LYS  98          1HG       LYS  98 -15.001   0.867  -6.999
  696   2HG   LYS  98          2HG       LYS  98 -15.848   1.614  -8.339
  697   1HD   LYS  98          1HD       LYS  98 -17.073  -0.339  -8.251
  698   2HD   LYS  98          2HD       LYS  98 -15.788  -0.916  -9.294
  699   1HE   LYS  98          1HE       LYS  98 -14.634  -1.983  -7.461
  700   2HE   LYS  98          2HE       LYS  98 -15.593  -1.138  -6.262
  701   1HZ   LYS  98          1HZ       LYS  98 -17.230  -2.591  -8.040
  702   2HZ   LYS  98          2HZ       LYS  98 -16.133  -3.572  -7.333
  703   3HZ   LYS  98          3HZ       LYS  98 -17.144  -2.679  -6.412
  704    H    LYS  99           H        LYS  99 -12.947   3.302 -10.874
  705    HA   LYS  99           HA       LYS  99 -10.613   2.137 -11.840
  706   1HB   LYS  99          1HB       LYS  99 -12.234   4.567 -12.516
  707   2HB   LYS  99          2HB       LYS  99 -10.655   4.375 -13.251
  708   1HG   LYS  99          1HG       LYS  99 -11.277   2.466 -14.446
  709   2HG   LYS  99          2HG       LYS  99 -12.464   1.971 -13.256
  710   1HD   LYS  99          1HD       LYS  99 -13.587   2.749 -15.315
  711   2HD   LYS  99          2HD       LYS  99 -13.985   3.801 -13.970
  712   1HE   LYS  99          1HE       LYS  99 -12.692   5.580 -14.787
  713   2HE   LYS  99          2HE       LYS  99 -11.586   4.528 -15.648
  714   1HZ   LYS  99          1HZ       LYS  99 -13.576   3.997 -17.085
  715   2HZ   LYS  99          2HZ       LYS  99 -14.293   5.308 -16.426
  716   3HZ   LYS  99          3HZ       LYS  99 -12.905   5.475 -17.270
  717    H    LYS 100           H        LYS 100 -11.186   5.123  -9.904
  718    HA   LYS 100           HA       LYS 100  -8.281   5.436  -9.717
  719   1HB   LYS 100          1HB       LYS 100 -10.197   7.286 -10.323
  720   2HB   LYS 100          2HB       LYS 100 -10.055   7.520  -8.593
  721   1HG   LYS 100          1HG       LYS 100  -7.686   7.967  -8.741
  722   2HG   LYS 100          2HG       LYS 100  -7.598   7.370 -10.386
  723   1HD   LYS 100          1HD       LYS 100  -8.760   9.269 -11.268
  724   2HD   LYS 100          2HD       LYS 100  -9.378   9.735  -9.696
  725   1HE   LYS 100          1HE       LYS 100  -7.542  11.005  -9.278
  726   2HE   LYS 100          2HE       LYS 100  -6.471   9.653  -9.589
  727   1HZ   LYS 100          1HZ       LYS 100  -6.831  10.138 -11.989
  728   2HZ   LYS 100          2HZ       LYS 100  -7.570  11.528 -11.555
  729   3HZ   LYS 100          3HZ       LYS 100  -6.001  11.284 -11.174
  730    H    LEU 101           H        LEU 101  -8.083   3.560  -8.288
  731    HA   LEU 101           HA       LEU 101  -7.632   4.013  -5.753
  732   1HB   LEU 101          1HB       LEU 101 -10.565   3.998  -6.126
  733   2HB   LEU 101          2HB       LEU 101  -9.965   3.045  -4.783
  734    HG   LEU 101           HG       LEU 101 -10.432   5.831  -4.889
  735   1HD1  LEU 101          1HD1      LEU 101 -10.059   3.761  -2.986
  736   2HD1  LEU 101          2HD1      LEU 101  -8.990   5.107  -2.524
  737   3HD1  LEU 101          3HD1      LEU 101 -10.734   5.389  -2.738
  738   1HD2  LEU 101          1HD2      LEU 101  -8.088   5.901  -5.871
  739   2HD2  LEU 101          2HD2      LEU 101  -8.379   6.890  -4.420
  740   3HD2  LEU 101          3HD2      LEU 101  -7.514   5.341  -4.282
  741    H    THR 102           H        THR 102  -9.285   1.883  -8.072
  742    HA   THR 102           HA       THR 102  -7.569  -0.285  -7.220
  743    HB   THR 102           HB       THR 102  -9.310  -1.761  -6.540
  744    HG1  THR 102           HG1      THR 102 -10.742  -1.312  -8.321
  745   1HG2  THR 102          1HG2      THR 102 -10.324   1.017  -5.731
  746   2HG2  THR 102          2HG2      THR 102 -10.804  -0.521  -4.973
  747   3HG2  THR 102          3HG2      THR 102  -9.128   0.060  -4.825
  748    H    GLY 103           H        GLY 103  -8.180   1.614  -9.566
  749   1HA   GLY 103          2HA       GLY 103  -8.755   1.424 -11.798
  750   2HA   GLY 103          1HA       GLY 103  -9.068  -0.289 -11.595
  751    H    CYS 104           H        CYS 104  -7.420  -1.812 -11.934
  752    HA   CYS 104           HA       CYS 104  -4.786  -1.568 -11.729
  753   1HB   CYS 104          1HB       CYS 104  -6.225  -2.945 -14.006
  754   2HB   CYS 104          2HB       CYS 104  -4.557  -3.224 -13.546
  755    H    LYS 105           H        LYS 105  -6.647  -0.829 -14.777
  756    HA   LYS 105           HA       LYS 105  -4.406   0.890 -15.571
  757   1HB   LYS 105          1HB       LYS 105  -4.797  -0.932 -17.117
  758   2HB   LYS 105          2HB       LYS 105  -6.503  -0.547 -17.222
  759   1HG   LYS 105          1HG       LYS 105  -5.571   1.868 -17.939
  760   2HG   LYS 105          2HG       LYS 105  -4.144   0.948 -18.371
  761   1HD   LYS 105          1HD       LYS 105  -6.674  -0.300 -19.295
  762   2HD   LYS 105          2HD       LYS 105  -6.391   1.287 -19.981
  763   1HE   LYS 105          1HE       LYS 105  -4.240  -0.875 -19.961
  764   2HE   LYS 105          2HE       LYS 105  -5.400  -0.728 -21.266
  765   1HZ   LYS 105          1HZ       LYS 105  -4.577   1.751 -21.120
  766   2HZ   LYS 105          2HZ       LYS 105  -3.224   1.026 -20.563
  767   3HZ   LYS 105          3HZ       LYS 105  -3.814   0.634 -22.035
  768    H    GLY 106           H        GLY 106  -4.963   2.760 -14.400
  769   1HA   GLY 106          2HA       GLY 106  -7.567   3.952 -15.146
  770   2HA   GLY 106          1HA       GLY 106  -6.066   4.856 -15.170
  771    H    SER 107           H        SER 107  -4.855   3.661 -12.785
  772    HA   SER 107           HA       SER 107  -6.657   4.825 -10.809
  773   1HB   SER 107          1HB       SER 107  -5.643   3.206  -9.150
  774   2HB   SER 107          2HB       SER 107  -6.629   2.451 -10.386
  775    HG   SER 107           HG       SER 107  -4.928   1.344 -11.056
  776    H    ALA 108           H        ALA 108  -5.434   5.691  -8.832
  777    HA   ALA 108           HA       ALA 108  -3.330   7.352  -9.720
  778   1HB   ALA 108          3HB       ALA 108  -3.598   8.391  -7.671
  779   2HB   ALA 108          1HB       ALA 108  -5.170   7.568  -7.805
  780   3HB   ALA 108          2HB       ALA 108  -3.877   6.860  -6.808
  781    H    CYS 109           H        CYS 109  -3.401   4.059  -8.949
  782    HA   CYS 109           HA       CYS 109  -0.738   4.094  -7.784
  783   1HB   CYS 109          1HB       CYS 109  -2.592   1.734  -8.238
  784   2HB   CYS 109          2HB       CYS 109  -1.089   1.721  -7.338
  785    H    HIS 110           H        HIS 110  -2.482   2.112 -10.190
  786    HA   HIS 110           HA       HIS 110  -0.041   2.134 -11.927
  787   1HB   HIS 110          1HB       HIS 110  -2.351   0.121 -11.927
  788   2HB   HIS 110          2HB       HIS 110  -0.745  -0.011 -12.764
  789    HD1  HIS 110           HD1      HIS 110   1.154   0.528 -10.536
  790    HD2  HIS 110           HD2      HIS 110  -2.256  -1.838 -10.039
  791    HE1  HIS 110           HE1      HIS 110   1.637  -1.017  -8.531
  792    HA   PRO 111           HA       PRO 111  -2.820   4.503 -14.545
  793   1HB   PRO 111          1HB       PRO 111  -1.007   6.317 -15.396
  794   2HB   PRO 111          2HB       PRO 111  -1.605   6.342 -13.705
  795   1HG   PRO 111          1HG       PRO 111   1.090   5.184 -14.729
  796   2HG   PRO 111          2HG       PRO 111   0.683   6.096 -13.239
  797   1HD   PRO 111          1HD       PRO 111   0.867   3.233 -13.572
  798   2HD   PRO 111          2HD       PRO 111   0.234   4.107 -12.144
  799    H    SER 112           H        SER 112  -3.118   4.411 -16.853
  800    HA   SER 112           HA       SER 112  -2.969   3.347 -18.759
  801   1HB   SER 112          1HB       SER 112  -1.028   3.915 -20.100
  802   2HB   SER 112          2HB       SER 112  -1.372   5.266 -19.038
  803    HG   SER 112           HG       SER 112   0.768   5.033 -18.688

  No H/Q in entry =         803
  Start of MODEL   12
    1    H1   VAL   1           H1       VAL   1   7.153  11.125  14.932
    2    H2   VAL   1           H2       VAL   1   8.516  10.979  15.861
    3    H3   VAL   1           H3       VAL   1   7.480  12.247  16.105
    4    HA   VAL   1           HA       VAL   1   8.882  13.376  14.918
    5    HB   VAL   1           HB       VAL   1  10.722  12.107  14.736
    6   1HG1  VAL   1          1HG1      VAL   1   8.836   9.872  14.035
    7   2HG1  VAL   1          2HG1      VAL   1  10.577   9.696  13.713
    8   3HG1  VAL   1          3HG1      VAL   1  10.005   9.997  15.371
    9   1HG2  VAL   1          1HG2      VAL   1  10.406  13.101  12.495
   10   2HG2  VAL   1          2HG2      VAL   1  11.318  11.574  12.432
   11   3HG2  VAL   1          3HG2      VAL   1   9.603  11.607  11.957
   12    H    ASP   2           H        ASP   2   8.045  14.732  13.413
   13    HA   ASP   2           HA       ASP   2   5.768  14.310  12.121
   14   1HB   ASP   2          1HB       ASP   2   8.130  15.864  10.965
   15   2HB   ASP   2          2HB       ASP   2   6.445  16.119  10.555
   16    H    VAL   3           H        VAL   3   5.423  14.157   9.596
   17    HA   VAL   3           HA       VAL   3   7.351  12.257   8.456
   18    HB   VAL   3           HB       VAL   3   5.314  11.141   9.308
   19   1HG1  VAL   3          1HG1      VAL   3   3.924  13.312   8.524
   20   2HG1  VAL   3          2HG1      VAL   3   3.641  12.260   7.116
   21   3HG1  VAL   3          3HG1      VAL   3   3.184  11.709   8.746
   22   1HG2  VAL   3          1HG2      VAL   3   6.597  10.236   7.393
   23   2HG2  VAL   3          2HG2      VAL   3   4.865   9.836   7.301
   24   3HG2  VAL   3          3HG2      VAL   3   5.534  11.129   6.278
   25    HA   PRO   4           HA       PRO   4   6.463  15.969   5.762
   26   1HB   PRO   4          1HB       PRO   4   8.738  17.365   6.019
   27   2HB   PRO   4          2HB       PRO   4   7.530  17.377   7.345
   28   1HG   PRO   4          1HG       PRO   4   9.990  15.434   7.192
   29   2HG   PRO   4          2HG       PRO   4   9.552  16.580   8.501
   30   1HD   PRO   4          1HD       PRO   4   8.743  13.960   8.521
   31   2HD   PRO   4          2HD       PRO   4   7.674  15.265   9.118
   32    H    ALA   5           H        ALA   5   6.744  15.436   3.597
   33    HA   ALA   5           HA       ALA   5   9.022  15.197   2.251
   34   1HB   ALA   5          1HB       ALA   5   8.512  12.694   3.824
   35   2HB   ALA   5          2HB       ALA   5   9.131  12.527   2.164
   36   3HB   ALA   5          3HB       ALA   5  10.052  13.460   3.367
   37    H    ASP   6           H        ASP   6   8.746  13.825   0.142
   38    HA   ASP   6           HA       ASP   6   6.131  12.944  -0.413
   39   1HB   ASP   6          1HB       ASP   6   6.787  15.177  -2.260
   40   2HB   ASP   6          2HB       ASP   6   5.235  14.701  -1.600
   41    H    GLY   7           H        GLY   7   6.021  12.637  -3.032
   42   1HA   GLY   7          2HA       GLY   7   8.398  12.619  -4.527
   43   2HA   GLY   7          1HA       GLY   7   6.926  11.736  -4.880
   44    H    ALA   8           H        ALA   8   6.744  10.096  -2.524
   45    HA   ALA   8           HA       ALA   8   9.263   8.692  -2.324
   46   1HB   ALA   8          1HB       ALA   8   6.714   8.879  -0.850
   47   2HB   ALA   8          3HB       ALA   8   8.355   8.527  -0.256
   48   3HB   ALA   8          2HB       ALA   8   7.363   7.224  -0.953
   49    H    LYS   9           H        LYS   9   9.601   7.869  -4.445
   50    HA   LYS   9           HA       LYS   9   7.561   6.431  -5.789
   51   1HB   LYS   9          1HB       LYS   9  10.500   6.906  -6.211
   52   2HB   LYS   9          2HB       LYS   9   9.673   5.684  -7.155
   53   1HG   LYS   9          1HG       LYS   9   9.757   8.085  -8.135
   54   2HG   LYS   9          2HG       LYS   9   8.212   7.261  -8.167
   55   1HD   LYS   9          1HD       LYS   9   7.385   8.500  -6.273
   56   2HD   LYS   9          2HD       LYS   9   8.986   9.072  -5.847
   57   1HE   LYS   9          1HE       LYS   9   7.521  10.797  -7.014
   58   2HE   LYS   9          2HE       LYS   9   9.084  10.543  -7.764
   59   1HZ   LYS   9          1HZ       LYS   9   7.099   8.775  -8.760
   60   2HZ   LYS   9          2HZ       LYS   9   6.703  10.342  -8.998
   61   3HZ   LYS   9          3HZ       LYS   9   8.116   9.760  -9.575
   62    H    ILE  10           H        ILE  10   6.725   4.566  -5.017
   63    HA   ILE  10           HA       ILE  10   8.501   2.806  -3.520
   64    HB   ILE  10           HB       ILE  10   5.502   2.820  -3.874
   65   1HG1  ILE  10          1HG1      ILE  10   7.227   3.635  -1.516
   66   2HG1  ILE  10          2HG1      ILE  10   6.366   4.729  -2.580
   67   1HG2  ILE  10          1HG2      ILE  10   7.335   0.794  -2.833
   68   2HG2  ILE  10          2HG2      ILE  10   6.089   1.281  -1.659
   69   3HG2  ILE  10          3HG2      ILE  10   5.611   0.677  -3.264
   70   1HD1  ILE  10          1HD1      ILE  10   4.351   2.968  -1.847
   71   2HD1  ILE  10          2HD1      ILE  10   5.335   3.057  -0.367
   72   3HD1  ILE  10          3HD1      ILE  10   4.661   4.543  -1.078
   73    H    ASP  11           H        ASP  11   9.663   1.406  -4.730
   74    HA   ASP  11           HA       ASP  11   8.186  -0.205  -6.590
   75   1HB   ASP  11          1HB       ASP  11   9.046   1.677  -7.981
   76   2HB   ASP  11          2HB       ASP  11  10.671   1.378  -7.397
   77    H    PHE  12           H        PHE  12   8.828  -1.492  -4.494
   78    HA   PHE  12           HA       PHE  12  11.607  -2.115  -4.214
   79   1HB   PHE  12          1HB       PHE  12   8.942  -3.125  -3.072
   80   2HB   PHE  12          2HB       PHE  12  10.465  -3.845  -2.588
   81    HD1  PHE  12           HD1      PHE  12  12.222  -2.303  -1.534
   82    HD2  PHE  12           HD2      PHE  12   8.153  -1.195  -2.010
   83    HE1  PHE  12           HE1      PHE  12  12.497  -0.536   0.227
   84    HE2  PHE  12           HE2      PHE  12   8.429   0.573  -0.249
   85    HZ   PHE  12           HZ       PHE  12  10.597   0.881   0.848
   86    H    ILE  13           H        ILE  13   8.954  -3.248  -6.161
   87    HA   ILE  13           HA       ILE  13  10.343  -5.792  -6.604
   88    HB   ILE  13           HB       ILE  13   7.499  -4.965  -7.197
   89   1HG1  ILE  13          1HG1      ILE  13   8.617  -6.861  -5.110
   90   2HG1  ILE  13          2HG1      ILE  13   7.975  -5.261  -4.797
   91   1HG2  ILE  13          1HG2      ILE  13   9.136  -7.147  -8.217
   92   2HG2  ILE  13          2HG2      ILE  13   7.685  -7.731  -7.368
   93   3HG2  ILE  13          3HG2      ILE  13   7.524  -6.587  -8.722
   94   1HD1  ILE  13          1HD1      ILE  13   6.136  -6.951  -6.386
   95   2HD1  ILE  13          2HD1      ILE  13   6.494  -7.605  -4.769
   96   3HD1  ILE  13          3HD1      ILE  13   5.812  -5.970  -4.937
   97    H    ALA  14           H        ALA  14  11.912  -5.406  -8.117
   98    HA   ALA  14           HA       ALA  14  12.045  -3.503  -9.995
   99   1HB   ALA  14          3HB       ALA  14  13.937  -4.748 -10.096
  100   2HB   ALA  14          2HB       ALA  14  13.072  -5.679 -11.342
  101   3HB   ALA  14          1HB       ALA  14  13.085  -6.247  -9.656
  102    H    GLY  15           H        GLY  15  10.226  -6.614 -10.245
  103   1HA   GLY  15          2HA       GLY  15   8.229  -5.514 -11.893
  104   2HA   GLY  15          1HA       GLY  15   8.514  -7.213 -11.574
  105    H    GLY  16           H        GLY  16   7.699  -6.097 -14.130
  106   1HA   GLY  16          2HA       GLY  16   8.177  -6.687 -16.278
  107   2HA   GLY  16          1HA       GLY  16   9.752  -7.272 -15.783
  108    H    GLU  17           H        GLU  17   9.832  -5.936 -18.094
  109    HA   GLU  17           HA       GLU  17  11.664  -4.044 -17.826
  110   1HB   GLU  17          1HB       GLU  17  11.233  -4.802 -20.018
  111   2HB   GLU  17          2HB       GLU  17   9.518  -4.457 -19.915
  112   1HG   GLU  17          1HG       GLU  17   9.789  -2.209 -20.421
  113   2HG   GLU  17          2HG       GLU  17  11.338  -2.097 -19.608
  114    H    LYS  18           H        LYS  18   8.199  -3.155 -18.523
  115    HA   LYS  18           HA       LYS  18   8.501  -0.472 -17.942
  116   1HB   LYS  18          1HB       LYS  18   6.172  -2.363 -18.069
  117   2HB   LYS  18          2HB       LYS  18   5.921  -0.735 -17.473
  118   1HG   LYS  18          1HG       LYS  18   5.841  -0.007 -19.617
  119   2HG   LYS  18          2HG       LYS  18   7.536  -0.421 -19.786
  120   1HD   LYS  18          1HD       LYS  18   7.087  -2.315 -21.000
  121   2HD   LYS  18          2HD       LYS  18   5.739  -2.772 -19.977
  122   1HE   LYS  18          1HE       LYS  18   5.637  -0.567 -22.092
  123   2HE   LYS  18          2HE       LYS  18   5.041  -2.198 -22.328
  124   1HZ   LYS  18          1HZ       LYS  18   3.580  -1.807 -20.401
  125   2HZ   LYS  18          2HZ       LYS  18   4.055  -0.245 -20.371
  126   3HZ   LYS  18          3HZ       LYS  18   3.255  -0.830 -21.669
  127    H    ASN  19           H        ASN  19   9.772  -0.131 -16.079
  128    HA   ASN  19           HA       ASN  19   9.644  -1.327 -13.722
  129   1HB   ASN  19          1HB       ASN  19  11.157   0.587 -14.276
  130   2HB   ASN  19          2HB       ASN  19   9.804   1.698 -14.186
  131   2HD2  ASN  19          1HD2      ASN  19  12.400   1.180 -12.639
  132   1HD2  ASN  19          2HD2      ASN  19  11.941   1.241 -10.970
  133    H    LEU  20           H        LEU  20   8.296  -1.250 -11.829
  134    HA   LEU  20           HA       LEU  20   5.746   0.147 -12.231
  135   1HB   LEU  20          1HB       LEU  20   6.347  -2.264 -10.513
  136   2HB   LEU  20          2HB       LEU  20   4.780  -1.518 -10.747
  137    HG   LEU  20           HG       LEU  20   6.404  -3.138 -12.698
  138   1HD1  LEU  20          1HD1      LEU  20   4.174  -3.640 -11.004
  139   2HD1  LEU  20          2HD1      LEU  20   3.612  -3.724 -12.691
  140   3HD1  LEU  20          3HD1      LEU  20   4.972  -4.739 -12.155
  141   1HD2  LEU  20          1HD2      LEU  20   5.685  -1.056 -13.845
  142   2HD2  LEU  20          2HD2      LEU  20   4.936  -2.529 -14.507
  143   3HD2  LEU  20          3HD2      LEU  20   3.998  -1.455 -13.442
  144    H    THR  21           H        THR  21   6.110   2.164 -11.347
  145    HA   THR  21           HA       THR  21   7.045   2.155  -8.551
  146    HB   THR  21           HB       THR  21   7.252   4.541 -10.415
  147    HG1  THR  21           HG1      THR  21   9.457   3.469 -10.832
  148   1HG2  THR  21          1HG2      THR  21   7.972   4.292  -7.813
  149   2HG2  THR  21          2HG2      THR  21   9.414   3.559  -8.556
  150   3HG2  THR  21          3HG2      THR  21   8.953   5.229  -8.965
  151    H    VAL  22           H        VAL  22   5.870   3.229  -7.005
  152    HA   VAL  22           HA       VAL  22   3.394   4.475  -7.979
  153    HB   VAL  22           HB       VAL  22   3.836   2.422  -5.831
  154   1HG1  VAL  22          1HG1      VAL  22   2.699   4.295  -4.726
  155   2HG1  VAL  22          2HG1      VAL  22   1.466   4.314  -6.009
  156   3HG1  VAL  22          3HG1      VAL  22   1.602   2.908  -4.927
  157   1HG2  VAL  22          1HG2      VAL  22   2.919   2.205  -8.388
  158   2HG2  VAL  22          2HG2      VAL  22   2.484   1.097  -7.065
  159   3HG2  VAL  22          3HG2      VAL  22   1.393   2.435  -7.501
  160    H    VAL  23           H        VAL  23   3.014   6.504  -7.199
  161    HA   VAL  23           HA       VAL  23   4.984   7.534  -5.324
  162    HB   VAL  23           HB       VAL  23   2.969   8.770  -7.193
  163   1HG1  VAL  23          1HG1      VAL  23   4.493  10.034  -4.924
  164   2HG1  VAL  23          2HG1      VAL  23   4.128  10.969  -6.395
  165   3HG1  VAL  23          3HG1      VAL  23   2.803  10.276  -5.429
  166   1HG2  VAL  23          1HG2      VAL  23   5.731   8.040  -7.391
  167   2HG2  VAL  23          2HG2      VAL  23   4.687   8.809  -8.612
  168   3HG2  VAL  23          3HG2      VAL  23   5.608   9.814  -7.467
  169    H    PHE  24           H        PHE  24   4.534   8.070  -3.224
  170    HA   PHE  24           HA       PHE  24   1.726   7.759  -2.423
  171   1HB   PHE  24          1HB       PHE  24   3.328   6.023  -1.560
  172   2HB   PHE  24          2HB       PHE  24   4.406   7.280  -0.989
  173    HD1  PHE  24           HD1      PHE  24   3.431   8.911   0.790
  174    HD2  PHE  24           HD2      PHE  24   1.747   5.122  -0.115
  175    HE1  PHE  24           HE1      PHE  24   2.273   8.894   3.017
  176    HE2  PHE  24           HE2      PHE  24   0.588   5.105   2.112
  177    HZ   PHE  24           HZ       PHE  24   0.865   6.991   3.652
  178    H    ASN  25           H        ASN  25   0.936   9.166  -0.708
  179    HA   ASN  25           HA       ASN  25   2.651  11.442  -0.184
  180   1HB   ASN  25          1HB       ASN  25  -0.261  12.012  -0.705
  181   2HB   ASN  25          2HB       ASN  25   1.132  13.038  -0.990
  182   2HD2  ASN  25          1HD2      ASN  25   0.994  13.546  -3.058
  183   1HD2  ASN  25          2HD2      ASN  25   0.923  12.440  -4.390
  184    H    HIS  26           H        HIS  26   2.579  11.865   1.948
  185    HA   HIS  26           HA       HIS  26   0.788  10.398   3.721
  186   1HB   HIS  26          1HB       HIS  26   3.136  12.298   3.980
  187   2HB   HIS  26          2HB       HIS  26   2.070  12.007   5.421
  188    HD1  HIS  26           HD1      HIS  26   4.573  10.374   3.199
  189    HD2  HIS  26           HD2      HIS  26   2.354   9.476   6.625
  190    HE1  HIS  26           HE1      HIS  26   5.589   8.212   4.167
  191    H    SER  27           H        SER  27   0.433  13.244   1.867
  192    HA   SER  27           HA       SER  27  -1.204  14.551   3.843
  193   1HB   SER  27          1HB       SER  27  -1.497  16.270   1.992
  194   2HB   SER  27          2HB       SER  27   0.153  16.036   2.535
  195    HG   SER  27           HG       SER  27  -0.542  15.991   0.064
  196    H    THR  28           H        THR  28  -1.672  11.859   2.150
  197    HA   THR  28           HA       THR  28  -4.473  12.520   1.547
  198    HB   THR  28           HB       THR  28  -4.148  10.822  -0.395
  199    HG1  THR  28           HG1      THR  28  -2.086  10.023  -0.364
  200   1HG2  THR  28          1HG2      THR  28  -4.054  13.474  -0.567
  201   2HG2  THR  28          2HG2      THR  28  -2.304  13.207  -0.757
  202   3HG2  THR  28          3HG2      THR  28  -3.445  12.494  -1.922
  203    H    HIS  29           H        HIS  29  -3.047  11.438   3.877
  204    HA   HIS  29           HA       HIS  29  -4.878   9.252   4.428
  205   1HB   HIS  29          1HB       HIS  29  -1.884   8.666   4.099
  206   2HB   HIS  29          2HB       HIS  29  -3.076   7.559   4.905
  207    HD1  HIS  29           HD1      HIS  29  -1.654   8.467   1.688
  208    HD2  HIS  29           HD2      HIS  29  -5.078   6.491   3.043
  209    HE1  HIS  29           HE1      HIS  29  -2.579   7.164  -0.334
  210    H    LYS  30           H        LYS  30  -4.212  11.945   5.450
  211    HA   LYS  30           HA       LYS  30  -2.789  11.499   7.907
  212   1HB   LYS  30          1HB       LYS  30  -2.370  13.634   7.289
  213   2HB   LYS  30          2HB       LYS  30  -3.868  13.798   6.397
  214   1HG   LYS  30          1HG       LYS  30  -4.030  13.578   9.403
  215   2HG   LYS  30          2HG       LYS  30  -3.466  15.090   8.719
  216   1HD   LYS  30          1HD       LYS  30  -5.691  14.512   7.133
  217   2HD   LYS  30          2HD       LYS  30  -6.187  13.918   8.705
  218   1HE   LYS  30          1HE       LYS  30  -6.833  16.145   8.914
  219   2HE   LYS  30          2HE       LYS  30  -5.208  16.254   9.559
  220   1HZ   LYS  30          1HZ       LYS  30  -5.698  16.627   6.703
  221   2HZ   LYS  30          2HZ       LYS  30  -5.889  17.864   7.752
  222   3HZ   LYS  30          3HZ       LYS  30  -4.431  17.145   7.595
  223    H    ASP  31           H        ASP  31  -6.124  11.486   6.711
  224    HA   ASP  31           HA       ASP  31  -7.228  11.675   9.318
  225   1HB   ASP  31          1HB       ASP  31  -9.316  11.589   8.241
  226   2HB   ASP  31          2HB       ASP  31  -8.292  12.289   7.003
  227    H    VAL  32           H        VAL  32  -5.381   9.341   7.892
  228    HA   VAL  32           HA       VAL  32  -7.026   7.089   8.781
  229    HB   VAL  32           HB       VAL  32  -4.644   7.365   6.956
  230   1HG1  VAL  32          1HG1      VAL  32  -4.259   5.403   8.383
  231   2HG1  VAL  32          2HG1      VAL  32  -5.875   4.781   7.973
  232   3HG1  VAL  32          3HG1      VAL  32  -4.629   4.923   6.709
  233   1HG2  VAL  32          1HG2      VAL  32  -7.503   6.425   6.601
  234   2HG2  VAL  32          2HG2      VAL  32  -6.698   7.818   5.838
  235   3HG2  VAL  32          3HG2      VAL  32  -6.229   6.161   5.385
  236    H    LYS  33           H        LYS  33  -6.395   5.758  10.473
  237    HA   LYS  33           HA       LYS  33  -5.011   6.748  12.552
  238   1HB   LYS  33          1HB       LYS  33  -5.852   4.075  11.658
  239   2HB   LYS  33          2HB       LYS  33  -4.489   4.047  12.758
  240   1HG   LYS  33          1HG       LYS  33  -6.104   4.181  14.381
  241   2HG   LYS  33          2HG       LYS  33  -6.057   5.896  14.028
  242   1HD   LYS  33          1HD       LYS  33  -7.894   5.565  12.328
  243   2HD   LYS  33          2HD       LYS  33  -7.970   3.871  12.773
  244   1HE   LYS  33          1HE       LYS  33  -9.703   4.963  14.037
  245   2HE   LYS  33          2HE       LYS  33  -8.422   4.615  15.182
  246   1HZ   LYS  33          1HZ       LYS  33  -7.997   7.111  13.969
  247   2HZ   LYS  33          2HZ       LYS  33  -9.495   7.060  14.617
  248   3HZ   LYS  33          3HZ       LYS  33  -8.191   6.760  15.552
  249    H    CYS  34           H        CYS  34  -3.010   7.597  12.695
  250    HA   CYS  34           HA       CYS  34  -1.043   7.300  10.833
  251   1HB   CYS  34          1HB       CYS  34  -1.023   9.072  12.462
  252   2HB   CYS  34          2HB       CYS  34  -0.825   7.933  13.780
  253    H    ASP  35           H        ASP  35  -2.129   5.120  13.368
  254    HA   ASP  35           HA       ASP  35   0.281   3.532  13.035
  255   1HB   ASP  35          1HB       ASP  35  -0.406   2.359  15.068
  256   2HB   ASP  35          2HB       ASP  35  -0.442   4.086  15.364
  257    H    ASP  36           H        ASP  36  -1.751   3.722  10.925
  258    HA   ASP  36           HA       ASP  36  -3.174   1.210  11.205
  259   1HB   ASP  36          1HB       ASP  36  -4.580   3.058  10.510
  260   2HB   ASP  36          2HB       ASP  36  -3.424   3.570   9.297
  261    H    CYS  37           H        CYS  37  -0.636   2.967   9.425
  262    HA   CYS  37           HA       CYS  37  -0.320   0.686   7.627
  263   1HB   CYS  37          1HB       CYS  37   0.922   3.443   7.373
  264   2HB   CYS  37          2HB       CYS  37   0.968   2.154   6.187
  265    H    HIS  38           H        HIS  38   1.112   2.727  10.091
  266    HA   HIS  38           HA       HIS  38   3.657   1.174  10.058
  267   1HB   HIS  38          1HB       HIS  38   2.809   3.775  11.447
  268   2HB   HIS  38          2HB       HIS  38   4.429   2.977  11.636
  269    HD1  HIS  38           HD1      HIS  38   5.699   2.679   9.247
  270    HD2  HIS  38           HD2      HIS  38   2.782   5.662   9.490
  271    HE1  HIS  38           HE1      HIS  38   6.183   4.317   7.317
  272    H    HIS  39           H        HIS  39   2.796  -0.744  10.854
  273    HA   HIS  39           HA       HIS  39   1.711  -0.723  13.630
  274   1HB   HIS  39          1HB       HIS  39   0.802  -2.832  13.182
  275   2HB   HIS  39          2HB       HIS  39   0.612  -1.919  11.623
  276    HD1  HIS  39           HD1      HIS  39   2.301  -4.833  13.171
  277    HD2  HIS  39           HD2      HIS  39   2.138  -2.931   9.453
  278    HE1  HIS  39           HE1      HIS  39   3.368  -6.463  11.483
  279    H    GLN  40           H        GLN  40   4.524  -0.012  13.117
  280    HA   GLN  40           HA       GLN  40   5.823  -2.372  14.227
  281   1HB   GLN  40          1HB       GLN  40   6.715  -0.170  12.422
  282   2HB   GLN  40          2HB       GLN  40   7.889  -0.673  13.622
  283   1HG   GLN  40          1HG       GLN  40   8.020  -1.945  11.425
  284   2HG   GLN  40          2HG       GLN  40   7.859  -2.961  12.843
  285   2HE2  GLN  40          1HE2      GLN  40   5.909  -1.242  10.418
  286   1HE2  GLN  40          2HE2      GLN  40   4.669  -2.438  10.239
  287    HA   PRO  41           HA       PRO  41   6.181  -0.101  18.009
  288   1HB   PRO  41          1HB       PRO  41   7.462  -1.926  19.491
  289   2HB   PRO  41          2HB       PRO  41   5.865  -2.327  18.779
  290   1HG   PRO  41          1HG       PRO  41   8.599  -3.378  17.483
  291   2HG   PRO  41          2HG       PRO  41   6.973  -3.925  18.008
  292   1HD   PRO  41          1HD       PRO  41   7.782  -2.820  15.434
  293   2HD   PRO  41          2HD       PRO  41   6.132  -3.281  15.953
  294    H    GLY  42           H        GLY  42   7.851   1.011  19.314
  295   1HA   GLY  42          2HA       GLY  42  10.614   0.715  18.506
  296   2HA   GLY  42          1HA       GLY  42   9.964   1.760  19.754
  297    H    ASP  43           H        ASP  43  11.853   2.932  18.243
  298    HA   ASP  43           HA       ASP  43  10.408   5.008  17.017
  299   1HB   ASP  43          1HB       ASP  43  13.353   4.323  17.312
  300   2HB   ASP  43          2HB       ASP  43  12.861   5.686  16.326
  301    H    LYS  44           H        LYS  44  11.226   1.910  15.982
  302    HA   LYS  44           HA       LYS  44  11.897   2.672  13.258
  303   1HB   LYS  44          1HB       LYS  44  11.782  -0.006  14.673
  304   2HB   LYS  44          2HB       LYS  44  12.145   0.184  12.969
  305   1HG   LYS  44          1HG       LYS  44  13.716   1.851  14.932
  306   2HG   LYS  44          2HG       LYS  44  14.086   0.140  14.835
  307   1HD   LYS  44          1HD       LYS  44  14.027   2.029  12.434
  308   2HD   LYS  44          2HD       LYS  44  15.485   1.561  13.287
  309   1HE   LYS  44          1HE       LYS  44  13.840  -0.768  12.504
  310   2HE   LYS  44          2HE       LYS  44  14.335   0.194  11.126
  311   1HZ   LYS  44          1HZ       LYS  44  16.265  -0.564  13.186
  312   2HZ   LYS  44          2HZ       LYS  44  15.904  -1.579  11.959
  313   3HZ   LYS  44          3HZ       LYS  44  16.551  -0.113  11.643
  314    H    GLN  45           H        GLN  45   9.178   2.980  14.840
  315    HA   GLN  45           HA       GLN  45   7.327   1.281  13.823
  316   1HB   GLN  45          1HB       GLN  45   7.023   3.161  15.529
  317   2HB   GLN  45          2HB       GLN  45   6.900   4.276  14.183
  318   1HG   GLN  45          1HG       GLN  45   4.779   3.598  13.647
  319   2HG   GLN  45          2HG       GLN  45   5.160   1.902  13.866
  320   2HE2  GLN  45          1HE2      GLN  45   2.857   3.503  14.726
  321   1HE2  GLN  45          2HE2      GLN  45   2.712   3.307  16.441
  322    H    TYR  46           H        TYR  46   9.214   3.675  12.214
  323    HA   TYR  46           HA       TYR  46   7.512   3.466   9.776
  324   1HB   TYR  46          1HB       TYR  46   9.651   5.532  10.336
  325   2HB   TYR  46          2HB       TYR  46   8.378   5.576   9.104
  326    HD1  TYR  46           HD1      TYR  46   5.898   5.431  10.100
  327    HD2  TYR  46           HD2      TYR  46   9.356   6.804  12.245
  328    HE1  TYR  46           HE1      TYR  46   4.433   6.686  11.658
  329    HE2  TYR  46           HE2      TYR  46   7.891   8.059  13.804
  330    HH   TYR  46           HH       TYR  46   5.323   7.832  14.595
  331    H    ALA  47           H        ALA  47   9.561   1.450  10.802
  332    HA   ALA  47           HA       ALA  47  11.823   1.822   9.082
  333   1HB   ALA  47          1HB       ALA  47  10.829  -0.276  11.007
  334   2HB   ALA  47          3HB       ALA  47  12.339   0.665  11.042
  335   3HB   ALA  47          2HB       ALA  47  12.147  -0.666   9.876
  336    H    GLY  48           H        GLY  48  12.348   0.545   7.213
  337   1HA   GLY  48          2HA       GLY  48  11.925  -0.789   5.421
  338   2HA   GLY  48          1HA       GLY  48  10.567   0.305   5.245
  339    H    CYS  49           H        CYS  49   9.285  -1.407   4.278
  340    HA   CYS  49           HA       CYS  49   8.030  -3.035   6.313
  341   1HB   CYS  49          1HB       CYS  49   7.213  -2.832   3.420
  342   2HB   CYS  49          2HB       CYS  49   6.249  -3.347   4.789
  343    H    THR  50           H        THR  50   9.883  -3.253   3.227
  344    HA   THR  50           HA       THR  50   9.838  -6.155   3.332
  345    HB   THR  50           HB       THR  50  10.761  -5.978   1.113
  346    HG1  THR  50           HG1      THR  50  12.450  -4.499   1.358
  347   1HG2  THR  50          1HG2      THR  50   8.440  -4.575   1.677
  348   2HG2  THR  50          2HG2      THR  50   9.461  -3.296   0.978
  349   3HG2  THR  50          3HG2      THR  50   9.112  -4.768   0.040
  350    H    THR  51           H        THR  51  10.978  -4.955   5.651
  351    HA   THR  51           HA       THR  51  13.845  -5.440   5.228
  352    HB   THR  51           HB       THR  51  13.755  -4.365   7.678
  353    HG1  THR  51           HG1      THR  51  11.567  -4.081   8.031
  354   1HG2  THR  51          1HG2      THR  51  14.594  -3.233   5.494
  355   2HG2  THR  51          2HG2      THR  51  12.946  -2.580   5.335
  356   3HG2  THR  51          3HG2      THR  51  13.943  -2.145   6.744
  357    H    ASP  52           H        ASP  52  13.875  -7.698   5.148
  358    HA   ASP  52           HA       ASP  52  14.380  -9.556   6.246
  359   1HB   ASP  52          1HB       ASP  52  14.319  -8.056   8.422
  360   2HB   ASP  52          2HB       ASP  52  12.727  -8.748   8.661
  361    H    GLY  53           H        GLY  53  12.752 -11.319   7.675
  362   1HA   GLY  53          2HA       GLY  53  10.779 -12.437   7.728
  363   2HA   GLY  53          1HA       GLY  53  10.928 -12.314   5.986
  364    H    CYS  54           H        CYS  54  10.567  -9.375   7.945
  365    HA   CYS  54           HA       CYS  54   8.035  -8.984   8.392
  366   1HB   CYS  54          1HB       CYS  54   9.731  -6.997   6.842
  367   2HB   CYS  54          2HB       CYS  54   8.275  -6.613   7.739
  368    H    HIS  55           H        HIS  55   9.037  -7.567   5.324
  369    HA   HIS  55           HA       HIS  55   7.036  -9.158   3.804
  370   1HB   HIS  55          1HB       HIS  55   7.091  -6.089   3.855
  371   2HB   HIS  55          2HB       HIS  55   5.989  -7.151   2.876
  372    HD1  HIS  55           HD1      HIS  55   4.358  -8.657   4.376
  373    HD2  HIS  55           HD2      HIS  55   6.038  -5.323   6.255
  374    HE1  HIS  55           HE1      HIS  55   2.886  -8.176   6.437
  375    H    ASN  56           H        ASN  56   9.585  -9.807   3.518
  376    HA   ASN  56           HA       ASN  56  10.851  -8.116   1.595
  377   1HB   ASN  56          1HB       ASN  56  12.533 -10.104   1.566
  378   2HB   ASN  56          2HB       ASN  56  12.374  -9.227   3.074
  379   2HD2  ASN  56          1HD2      ASN  56  13.410 -11.619   3.283
  380   1HD2  ASN  56          2HD2      ASN  56  12.316 -12.789   3.943
  381    H    ILE  57           H        ILE  57   9.490 -11.488   1.800
  382    HA   ILE  57           HA       ILE  57   9.908 -12.468  -0.636
  383    HB   ILE  57           HB       ILE  57   7.410 -12.546   1.043
  384   1HG1  ILE  57          1HG1      ILE  57   9.988 -13.889   1.086
  385   2HG1  ILE  57          2HG1      ILE  57   8.728 -13.834   2.303
  386   1HG2  ILE  57          1HG2      ILE  57   8.041 -14.187  -1.426
  387   2HG2  ILE  57          2HG2      ILE  57   6.709 -14.498  -0.287
  388   3HG2  ILE  57          3HG2      ILE  57   6.731 -12.996  -1.243
  389   1HD1  ILE  57          1HD1      ILE  57   8.668 -15.641  -0.158
  390   2HD1  ILE  57          2HD1      ILE  57   9.160 -16.156   1.473
  391   3HD1  ILE  57          3HD1      ILE  57   7.485 -15.633   1.171
  392    H    LEU  58           H        LEU  58   9.803 -11.639  -2.646
  393    HA   LEU  58           HA       LEU  58   7.714  -9.641  -3.140
  394   1HB   LEU  58          1HB       LEU  58  10.302 -10.114  -4.624
  395   2HB   LEU  58          2HB       LEU  58   9.134  -8.849  -4.949
  396    HG   LEU  58           HG       LEU  58  10.921  -9.137  -2.527
  397   1HD1  LEU  58          1HD1      LEU  58  11.080  -7.683  -5.015
  398   2HD1  LEU  58          2HD1      LEU  58  11.071  -6.560  -3.634
  399   3HD1  LEU  58          3HD1      LEU  58  12.286  -7.858  -3.718
  400   1HD2  LEU  58          1HD2      LEU  58   8.646  -8.458  -1.820
  401   2HD2  LEU  58          2HD2      LEU  58   9.870  -7.194  -1.553
  402   3HD2  LEU  58          3HD2      LEU  58   8.745  -7.067  -2.926
  403    H    ASP  59           H        ASP  59   7.029 -12.412  -3.028
  404    HA   ASP  59           HA       ASP  59   6.612 -12.908  -5.872
  405   1HB   ASP  59          1HB       ASP  59   7.735 -14.590  -3.861
  406   2HB   ASP  59          2HB       ASP  59   6.133 -15.233  -4.167
  407    H    LYS  60           H        LYS  60   4.453 -14.065  -6.316
  408    HA   LYS  60           HA       LYS  60   2.457 -13.181  -4.353
  409   1HB   LYS  60          1HB       LYS  60   1.762 -13.766  -7.207
  410   2HB   LYS  60          2HB       LYS  60   1.017 -12.652  -6.078
  411   1HG   LYS  60          1HG       LYS  60   2.192 -11.052  -7.217
  412   2HG   LYS  60          2HG       LYS  60   3.539 -11.572  -6.223
  413   1HD   LYS  60          1HD       LYS  60   4.656 -12.266  -8.067
  414   2HD   LYS  60          2HD       LYS  60   3.373 -13.402  -8.434
  415   1HE   LYS  60          1HE       LYS  60   2.213 -11.037  -9.263
  416   2HE   LYS  60          2HE       LYS  60   3.901 -10.702  -9.590
  417   1HZ   LYS  60          1HZ       LYS  60   2.892 -13.286 -10.407
  418   2HZ   LYS  60          2HZ       LYS  60   2.401 -11.990 -11.271
  419   3HZ   LYS  60          3HZ       LYS  60   3.994 -12.323 -11.132
  420    H    ALA  61           H        ALA  61   3.746 -15.870  -6.294
  421    HA   ALA  61           HA       ALA  61   1.615 -17.646  -5.850
  422   1HB   ALA  61          2HB       ALA  61   4.104 -19.042  -6.093
  423   2HB   ALA  61          3HB       ALA  61   2.858 -18.777  -7.337
  424   3HB   ALA  61          1HB       ALA  61   4.179 -17.601  -7.136
  425    H    ASP  62           H        ASP  62   4.158 -16.383  -3.809
  426    HA   ASP  62           HA       ASP  62   3.913 -18.611  -1.995
  427   1HB   ASP  62          1HB       ASP  62   5.688 -16.172  -2.214
  428   2HB   ASP  62          2HB       ASP  62   5.535 -16.955  -0.654
  429    H    LYS  63           H        LYS  63   2.152 -18.508  -0.587
  430    HA   LYS  63           HA       LYS  63   0.715 -16.147  -0.131
  431   1HB   LYS  63          1HB       LYS  63   0.697 -18.693   1.513
  432   2HB   LYS  63          2HB       LYS  63  -0.561 -17.475   1.445
  433   1HG   LYS  63          1HG       LYS  63   0.062 -18.299  -1.263
  434   2HG   LYS  63          2HG       LYS  63  -0.189 -19.736  -0.292
  435   1HD   LYS  63          1HD       LYS  63  -2.262 -18.088   0.572
  436   2HD   LYS  63          2HD       LYS  63  -2.138 -17.658  -1.123
  437   1HE   LYS  63          1HE       LYS  63  -3.617 -19.482  -1.207
  438   2HE   LYS  63          2HE       LYS  63  -2.083 -20.260  -1.545
  439   1HZ   LYS  63          1HZ       LYS  63  -2.022 -20.511   1.002
  440   2HZ   LYS  63          2HZ       LYS  63  -3.639 -20.307   0.910
  441   3HZ   LYS  63          3HZ       LYS  63  -2.926 -21.542   0.115
  442    H    SER  64           H        SER  64   0.575 -16.900   2.918
  443    HA   SER  64           HA       SER  64   1.455 -16.234   4.792
  444   1HB   SER  64          1HB       SER  64   4.082 -15.786   3.307
  445   2HB   SER  64          2HB       SER  64   3.888 -15.889   5.045
  446    HG   SER  64           HG       SER  64   3.533 -18.068   4.938
  447    H    VAL  65           H        VAL  65   1.996 -14.200   5.971
  448    HA   VAL  65           HA       VAL  65   1.302 -11.902   4.332
  449    HB   VAL  65           HB       VAL  65   1.605 -12.090   7.330
  450   1HG1  VAL  65          1HG1      VAL  65   0.948  -9.964   5.488
  451   2HG1  VAL  65          2HG1      VAL  65  -0.428 -10.283   6.571
  452   3HG1  VAL  65          3HG1      VAL  65   1.172  -9.903   7.253
  453   1HG2  VAL  65          1HG2      VAL  65  -0.005 -13.797   6.358
  454   2HG2  VAL  65          2HG2      VAL  65  -0.697 -12.654   7.534
  455   3HG2  VAL  65          3HG2      VAL  65  -0.984 -12.423   5.793
  456    H    ASN  66           H        ASN  66   3.900 -13.058   3.876
  457    HA   ASN  66           HA       ASN  66   5.560 -10.996   5.098
  458   1HB   ASN  66          1HB       ASN  66   6.493 -13.649   3.889
  459   2HB   ASN  66          2HB       ASN  66   7.476 -12.519   4.798
  460   2HD2  ASN  66          1HD2      ASN  66   6.402 -11.891   6.989
  461   1HD2  ASN  66          2HD2      ASN  66   5.884 -13.215   7.977
  462    H    SER  67           H        SER  67   3.781 -11.431   2.453
  463    HA   SER  67           HA       SER  67   5.892 -10.928   0.528
  464   1HB   SER  67          1HB       SER  67   3.062 -11.929   0.369
  465   2HB   SER  67          2HB       SER  67   3.677 -11.045  -1.013
  466    HG   SER  67           HG       SER  67   4.771 -12.784  -1.587
  467    H    TRP  68           H        TRP  68   6.398  -8.789   0.232
  468    HA   TRP  68           HA       TRP  68   5.059  -6.651   1.220
  469   1HB   TRP  68          1HB       TRP  68   7.267  -6.407   0.413
  470   2HB   TRP  68          2HB       TRP  68   6.828  -6.925  -1.203
  471    HD1  TRP  68           HD1      TRP  68   6.799  -4.884  -2.818
  472    HE1  TRP  68           HE1      TRP  68   6.188  -2.317  -2.768
  473    HE3  TRP  68           HE3      TRP  68   5.448  -4.763   2.083
  474    HZ2  TRP  68           HZ2      TRP  68   5.230  -0.564  -0.730
  475    HZ3  TRP  68           HZ3      TRP  68   4.687  -2.584   3.025
  476    HH2  TRP  68           HH2      TRP  68   4.566  -0.532   1.703
  477    H    TYR  69           H        TYR  69   4.694  -8.268  -1.940
  478    HA   TYR  69           HA       TYR  69   2.493  -6.518  -2.737
  479   1HB   TYR  69          1HB       TYR  69   4.018  -7.276  -4.436
  480   2HB   TYR  69          2HB       TYR  69   3.800  -8.967  -3.954
  481    HD1  TYR  69           HD1      TYR  69   2.023  -6.027  -5.418
  482    HD2  TYR  69           HD2      TYR  69   2.096 -10.291  -4.903
  483    HE1  TYR  69           HE1      TYR  69   0.178  -6.257  -7.059
  484    HE2  TYR  69           HE2      TYR  69   0.252 -10.521  -6.544
  485    HH   TYR  69           HH       TYR  69  -1.619  -7.887  -7.681
  486    H    LYS  70           H        LYS  70   1.619  -7.472  -0.354
  487    HA   LYS  70           HA       LYS  70  -0.416  -9.371  -1.216
  488   1HB   LYS  70          1HB       LYS  70   1.530 -10.592  -0.106
  489   2HB   LYS  70          2HB       LYS  70   1.090  -9.770   1.378
  490   1HG   LYS  70          1HG       LYS  70  -0.248 -11.625   1.660
  491   2HG   LYS  70          2HG       LYS  70  -1.369 -10.686   0.695
  492   1HD   LYS  70          1HD       LYS  70  -1.015 -11.961  -1.229
  493   2HD   LYS  70          2HD       LYS  70   0.634 -12.365  -0.794
  494   1HE   LYS  70          1HE       LYS  70  -1.768 -13.452   0.739
  495   2HE   LYS  70          2HE       LYS  70  -1.093 -14.278  -0.651
  496   1HZ   LYS  70          1HZ       LYS  70   1.042 -14.281   0.512
  497   2HZ   LYS  70          2HZ       LYS  70   0.338 -13.614   1.827
  498   3HZ   LYS  70          3HZ       LYS  70  -0.108 -15.104   1.329
  499    H    VAL  71           H        VAL  71   0.798  -7.463   1.634
  500    HA   VAL  71           HA       VAL  71  -1.850  -6.951   2.526
  501    HB   VAL  71           HB       VAL  71  -0.854  -5.947   4.319
  502   1HG1  VAL  71          1HG1      VAL  71   0.253  -8.286   3.515
  503   2HG1  VAL  71          2HG1      VAL  71   1.711  -7.272   3.631
  504   3HG1  VAL  71          3HG1      VAL  71   0.654  -7.476   5.048
  505   1HG2  VAL  71          1HG2      VAL  71   0.972  -4.789   2.298
  506   2HG2  VAL  71          2HG2      VAL  71   0.260  -4.062   3.759
  507   3HG2  VAL  71          3HG2      VAL  71   1.700  -5.099   3.893
  508    H    VAL  72           H        VAL  72  -0.161  -5.867  -0.160
  509    HA   VAL  72           HA       VAL  72  -1.208  -3.152  -0.001
  510    HB   VAL  72           HB       VAL  72   0.704  -4.595  -1.831
  511   1HG1  VAL  72          1HG1      VAL  72  -0.429  -1.798  -2.179
  512   2HG1  VAL  72          2HG1      VAL  72   0.944  -2.474  -3.088
  513   3HG1  VAL  72          3HG1      VAL  72  -0.677  -3.189  -3.262
  514   1HG2  VAL  72          1HG2      VAL  72   0.925  -2.355   0.185
  515   2HG2  VAL  72          2HG2      VAL  72   1.823  -3.890   0.111
  516   3HG2  VAL  72          3HG2      VAL  72   2.157  -2.606  -1.075
  517    H    HIS  73           H        HIS  73  -1.479  -6.192  -1.765
  518    HA   HIS  73           HA       HIS  73  -3.906  -5.132  -3.172
  519   1HB   HIS  73          1HB       HIS  73  -2.055  -7.451  -3.956
  520   2HB   HIS  73          2HB       HIS  73  -3.466  -6.811  -4.902
  521    HD1  HIS  73           HD1      HIS  73   0.031  -5.939  -3.857
  522    HD2  HIS  73           HD2      HIS  73  -2.899  -4.637  -6.538
  523    HE1  HIS  73           HE1      HIS  73   1.183  -4.232  -5.406
  524    H    ASP  74           H        ASP  74  -3.450  -6.399  -0.343
  525    HA   ASP  74           HA       ASP  74  -4.802  -8.883  -0.562
  526   1HB   ASP  74          1HB       ASP  74  -3.532  -7.242   1.531
  527   2HB   ASP  74          2HB       ASP  74  -5.016  -7.978   2.103
  528    H    ALA  75           H        ALA  75  -6.741  -8.000  -1.778
  529    HA   ALA  75           HA       ALA  75  -8.394  -6.024  -0.674
  530   1HB   ALA  75          2HB       ALA  75  -9.069  -8.314  -2.566
  531   2HB   ALA  75          1HB       ALA  75  -8.381  -6.745  -3.053
  532   3HB   ALA  75          3HB       ALA  75 -10.010  -6.820  -2.339
  533    H    LYS  76           H        LYS  76  -7.939  -9.465  -0.014
  534    HA   LYS  76           HA       LYS  76 -10.435  -9.975   1.142
  535   1HB   LYS  76          1HB       LYS  76  -9.280 -11.893   0.638
  536   2HB   LYS  76          2HB       LYS  76  -7.735 -11.249   1.156
  537   1HG   LYS  76          1HG       LYS  76  -8.545 -11.346   3.553
  538   2HG   LYS  76          2HG       LYS  76 -10.028 -12.091   2.991
  539   1HD   LYS  76          1HD       LYS  76  -8.889 -14.064   2.233
  540   2HD   LYS  76          2HD       LYS  76  -7.320 -13.284   2.288
  541   1HE   LYS  76          1HE       LYS  76  -7.030 -13.828   4.478
  542   2HE   LYS  76          2HE       LYS  76  -8.593 -13.169   4.919
  543   1HZ   LYS  76          1HZ       LYS  76  -8.915 -15.559   3.484
  544   2HZ   LYS  76          2HZ       LYS  76  -7.915 -15.809   4.750
  545   3HZ   LYS  76          3HZ       LYS  76  -9.409 -15.198   4.998
  546    H    GLY  77           H        GLY  77  -7.619  -8.164   2.217
  547   1HA   GLY  77          2HA       GLY  77  -9.016  -7.121   4.454
  548   2HA   GLY  77          1HA       GLY  77  -7.336  -6.859   4.031
  549    H    GLY  78           H        GLY  78  -6.499  -7.107   6.148
  550   1HA   GLY  78          2HA       GLY  78  -5.274  -9.011   7.188
  551   2HA   GLY  78          1HA       GLY  78  -6.832  -9.805   7.317
  552    H    ALA  79           H        ALA  79  -4.897  -8.923   9.455
  553    HA   ALA  79           HA       ALA  79  -6.719  -8.097  11.352
  554   1HB   ALA  79          3HB       ALA  79  -4.952  -8.393  12.739
  555   2HB   ALA  79          2HB       ALA  79  -3.926  -7.264  11.822
  556   3HB   ALA  79          1HB       ALA  79  -4.094  -8.952  11.283
  557    H    LYS  80           H        LYS  80  -4.678  -6.228   9.090
  558    HA   LYS  80           HA       LYS  80  -6.098  -3.832  10.001
  559   1HB   LYS  80          1HB       LYS  80  -3.287  -4.358  10.276
  560   2HB   LYS  80          2HB       LYS  80  -3.504  -3.066   9.111
  561   1HG   LYS  80          1HG       LYS  80  -4.388  -1.609  10.673
  562   2HG   LYS  80          2HG       LYS  80  -5.233  -2.876  11.540
  563   1HD   LYS  80          1HD       LYS  80  -2.208  -2.808  11.631
  564   2HD   LYS  80          2HD       LYS  80  -3.111  -1.676  12.619
  565   1HE   LYS  80          1HE       LYS  80  -3.407  -3.315  14.158
  566   2HE   LYS  80          2HE       LYS  80  -4.401  -4.181  13.003
  567   1HZ   LYS  80          1HZ       LYS  80  -1.933  -4.736  12.157
  568   2HZ   LYS  80          2HZ       LYS  80  -1.697  -4.664  13.772
  569   3HZ   LYS  80          3HZ       LYS  80  -2.804  -5.694  13.153
  570    HA   PRO  81           HA       PRO  81  -7.341  -3.152   5.900
  571   1HB   PRO  81          1HB       PRO  81  -6.663  -0.409   5.707
  572   2HB   PRO  81          2HB       PRO  81  -8.165  -1.084   6.419
  573   1HG   PRO  81          1HG       PRO  81  -5.722  -0.127   8.003
  574   2HG   PRO  81          2HG       PRO  81  -7.494   0.025   8.235
  575   1HD   PRO  81          1HD       PRO  81  -5.982  -1.910   9.489
  576   2HD   PRO  81          2HD       PRO  81  -7.662  -2.223   8.956
  577    H    THR  82           H        THR  82  -6.450  -2.860   3.715
  578    HA   THR  82           HA       THR  82  -3.512  -2.927   3.749
  579    HB   THR  82           HB       THR  82  -4.031  -3.964   1.388
  580    HG1  THR  82           HG1      THR  82  -6.215  -4.115   1.049
  581   1HG2  THR  82          1HG2      THR  82  -4.474  -5.185   4.098
  582   2HG2  THR  82          2HG2      THR  82  -5.131  -6.087   2.711
  583   3HG2  THR  82          3HG2      THR  82  -3.393  -5.712   2.787
  584    H    CYS  83           H        CYS  83  -5.123  -2.373   0.723
  585    HA   CYS  83           HA       CYS  83  -4.804   0.490   0.946
  586   1HB   CYS  83          1HB       CYS  83  -3.268  -1.072  -1.140
  587   2HB   CYS  83          2HB       CYS  83  -3.347   0.672  -0.992
  588    H    ILE  84           H        ILE  84  -5.437  -2.425  -1.116
  589    HA   ILE  84           HA       ILE  84  -7.221  -0.927  -2.806
  590    HB   ILE  84           HB       ILE  84  -5.682  -3.263  -3.015
  591   1HG1  ILE  84          1HG1      ILE  84  -7.689  -2.093  -4.964
  592   2HG1  ILE  84          2HG1      ILE  84  -6.062  -1.492  -4.715
  593   1HG2  ILE  84          1HG2      ILE  84  -8.642  -3.863  -3.255
  594   2HG2  ILE  84          2HG2      ILE  84  -7.332  -4.900  -3.870
  595   3HG2  ILE  84          3HG2      ILE  84  -7.483  -4.599  -2.122
  596   1HD1  ILE  84          1HD1      ILE  84  -5.729  -4.272  -5.103
  597   2HD1  ILE  84          2HD1      ILE  84  -6.957  -3.780  -6.294
  598   3HD1  ILE  84          3HD1      ILE  84  -5.367  -2.981  -6.274
  599    H    SER  85           H        SER  85  -7.377  -2.346   0.284
  600    HA   SER  85           HA       SER  85 -10.065  -3.269   0.020
  601   1HB   SER  85          1HB       SER  85  -9.875  -3.663   2.489
  602   2HB   SER  85          2HB       SER  85  -8.596  -4.430   1.570
  603    HG   SER  85           HG       SER  85  -8.389  -2.577   3.567
  604    H    CYS  86           H        CYS  86  -8.608  -0.949   2.414
  605    HA   CYS  86           HA       CYS  86 -10.826   0.331   3.163
  606   1HB   CYS  86          1HB       CYS  86  -8.590   0.762   4.097
  607   2HB   CYS  86          2HB       CYS  86  -8.132   1.634   2.648
  608    H    HIS  87           H        HIS  87  -9.059   0.591   0.156
  609    HA   HIS  87           HA       HIS  87 -10.381   2.965  -0.859
  610   1HB   HIS  87          1HB       HIS  87  -8.516   0.818  -1.900
  611   2HB   HIS  87          2HB       HIS  87  -9.407   1.857  -3.094
  612    HD1  HIS  87           HD1      HIS  87  -7.707   3.344  -3.937
  613    HD2  HIS  87           HD2      HIS  87  -7.509   3.082   0.230
  614    HE1  HIS  87           HE1      HIS  87  -5.939   5.065  -3.191
  615    H    LYS  88           H        LYS  88 -10.778  -0.613  -1.522
  616    HA   LYS  88           HA       LYS  88 -12.978  -0.223  -3.230
  617   1HB   LYS  88          1HB       LYS  88 -11.991  -2.251  -3.592
  618   2HB   LYS  88          2HB       LYS  88 -11.625  -2.517  -1.899
  619   1HG   LYS  88          1HG       LYS  88 -14.004  -3.007  -1.422
  620   2HG   LYS  88          2HG       LYS  88 -14.442  -2.631  -3.076
  621   1HD   LYS  88          1HD       LYS  88 -13.932  -4.736  -3.744
  622   2HD   LYS  88          2HD       LYS  88 -12.300  -4.579  -3.125
  623   1HE   LYS  88          1HE       LYS  88 -12.857  -5.498  -1.020
  624   2HE   LYS  88          2HE       LYS  88 -14.552  -5.079  -1.166
  625   1HZ   LYS  88          1HZ       LYS  88 -13.521  -6.907  -3.142
  626   2HZ   LYS  88          2HZ       LYS  88 -13.637  -7.488  -1.620
  627   3HZ   LYS  88          3HZ       LYS  88 -14.963  -6.905  -2.375
  628    H    ASP  89           H        ASP  89 -12.601  -0.622   0.304
  629    HA   ASP  89           HA       ASP  89 -15.297  -1.093   0.806
  630   1HB   ASP  89          1HB       ASP  89 -13.039  -1.164   2.303
  631   2HB   ASP  89          2HB       ASP  89 -13.608   0.420   2.789
  632    H    LYS  90           H        LYS  90 -13.644   1.643  -0.398
  633    HA   LYS  90           HA       LYS  90 -15.816   3.403   0.498
  634   1HB   LYS  90          1HB       LYS  90 -12.932   3.704   0.849
  635   2HB   LYS  90          2HB       LYS  90 -13.632   5.060  -0.011
  636   1HG   LYS  90          1HG       LYS  90 -15.317   5.377   1.771
  637   2HG   LYS  90          2HG       LYS  90 -14.744   3.947   2.607
  638   1HD   LYS  90          1HD       LYS  90 -12.862   6.257   1.994
  639   2HD   LYS  90          2HD       LYS  90 -13.888   6.285   3.415
  640   1HE   LYS  90          1HE       LYS  90 -12.834   3.766   3.657
  641   2HE   LYS  90          2HE       LYS  90 -11.515   4.557   2.818
  642   1HZ   LYS  90          1HZ       LYS  90 -11.928   6.370   4.589
  643   2HZ   LYS  90          2HZ       LYS  90 -12.622   5.157   5.435
  644   3HZ   LYS  90          3HZ       LYS  90 -11.059   5.041   4.974
  645    H    ALA  91           H        ALA  91 -15.977   1.754  -1.784
  646    HA   ALA  91           HA       ALA  91 -15.762   3.802  -3.876
  647   1HB   ALA  91          1HB       ALA  91 -14.584   1.100  -3.744
  648   2HB   ALA  91          3HB       ALA  91 -14.176   2.475  -4.798
  649   3HB   ALA  91          2HB       ALA  91 -15.529   1.400  -5.222
  650    H    GLY  92           H        GLY  92 -17.906   2.778  -1.910
  651   1HA   GLY  92          2HA       GLY  92 -20.173   3.139  -3.200
  652   2HA   GLY  92          1HA       GLY  92 -20.018   1.898  -1.972
  653    H    ASP  93           H        ASP  93 -20.716   2.539  -5.271
  654    HA   ASP  93           HA       ASP  93 -19.989  -0.087  -6.159
  655   1HB   ASP  93          1HB       ASP  93 -22.190  -0.884  -6.590
  656   2HB   ASP  93          2HB       ASP  93 -22.271  -0.237  -4.963
  657    H    ASP  94           H        ASP  94 -19.095   2.495  -6.961
  658    HA   ASP  94           HA       ASP  94 -20.655   3.072  -9.338
  659   1HB   ASP  94          1HB       ASP  94 -19.922   4.889  -7.653
  660   2HB   ASP  94          2HB       ASP  94 -18.284   4.630  -8.219
  661    H    LYS  95           H        LYS  95 -18.978   3.928 -11.221
  662    HA   LYS  95           HA       LYS  95 -17.132   1.706 -11.598
  663   1HB   LYS  95          1HB       LYS  95 -18.675   1.958 -13.386
  664   2HB   LYS  95          2HB       LYS  95 -18.431   3.690 -13.470
  665   1HG   LYS  95          1HG       LYS  95 -16.101   3.368 -14.232
  666   2HG   LYS  95          2HG       LYS  95 -16.245   1.633 -14.037
  667   1HD   LYS  95          1HD       LYS  95 -17.311   1.385 -16.039
  668   2HD   LYS  95          2HD       LYS  95 -18.409   2.711 -15.715
  669   1HE   LYS  95          1HE       LYS  95 -17.153   4.201 -16.913
  670   2HE   LYS  95          2HE       LYS  95 -15.650   3.645 -16.204
  671   1HZ   LYS  95          1HZ       LYS  95 -16.181   1.594 -17.715
  672   2HZ   LYS  95          2HZ       LYS  95 -16.993   2.711 -18.585
  673   3HZ   LYS  95          3HZ       LYS  95 -15.397   2.903 -18.298
  674    H    GLU  96           H        GLU  96 -17.229   5.322 -11.944
  675    HA   GLU  96           HA       GLU  96 -14.608   5.701 -12.477
  676   1HB   GLU  96          1HB       GLU  96 -16.289   7.497 -12.517
  677   2HB   GLU  96          2HB       GLU  96 -16.467   7.419 -10.775
  678   1HG   GLU  96          1HG       GLU  96 -14.992   9.259 -11.154
  679   2HG   GLU  96          2HG       GLU  96 -13.951   7.958 -10.614
  680    H    LEU  97           H        LEU  97 -16.185   5.125  -9.299
  681    HA   LEU  97           HA       LEU  97 -13.744   5.558  -7.860
  682   1HB   LEU  97          1HB       LEU  97 -16.569   4.941  -7.249
  683   2HB   LEU  97          2HB       LEU  97 -15.393   4.313  -6.112
  684    HG   LEU  97           HG       LEU  97 -15.132   7.180  -6.900
  685   1HD1  LEU  97          1HD1      LEU  97 -17.638   6.226  -6.135
  686   2HD1  LEU  97          2HD1      LEU  97 -16.941   6.906  -4.645
  687   3HD1  LEU  97          3HD1      LEU  97 -17.074   7.914  -6.106
  688   1HD2  LEU  97          1HD2      LEU  97 -14.421   5.419  -4.620
  689   2HD2  LEU  97          2HD2      LEU  97 -13.525   6.764  -5.366
  690   3HD2  LEU  97          3HD2      LEU  97 -14.850   7.102  -4.227
  691    H    LYS  98           H        LYS  98 -15.311   2.936  -9.575
  692    HA   LYS  98           HA       LYS  98 -14.086   0.826  -8.142
  693   1HB   LYS  98          1HB       LYS  98 -16.081   0.377  -9.365
  694   2HB   LYS  98          2HB       LYS  98 -15.417   1.027 -10.850
  695   1HG   LYS  98          1HG       LYS  98 -14.593  -1.012 -11.391
  696   2HG   LYS  98          2HG       LYS  98 -13.597  -1.003  -9.950
  697   1HD   LYS  98          1HD       LYS  98 -16.468  -2.011 -10.181
  698   2HD   LYS  98          2HD       LYS  98 -15.035  -2.979  -9.894
  699   1HE   LYS  98          1HE       LYS  98 -15.033  -2.523  -7.654
  700   2HE   LYS  98          2HE       LYS  98 -15.313  -0.812  -7.911
  701   1HZ   LYS  98          1HZ       LYS  98 -17.657  -1.468  -8.429
  702   2HZ   LYS  98          2HZ       LYS  98 -17.313  -2.951  -7.838
  703   3HZ   LYS  98          3HZ       LYS  98 -17.204  -1.641  -6.869
  704    H    LYS  99           H        LYS  99 -13.163   2.908 -10.897
  705    HA   LYS  99           HA       LYS  99 -10.785   1.319 -11.354
  706   1HB   LYS  99          1HB       LYS  99 -12.410   3.117 -12.887
  707   2HB   LYS  99          2HB       LYS  99 -10.776   3.747 -12.850
  708   1HG   LYS  99          1HG       LYS  99 -10.408   2.265 -14.557
  709   2HG   LYS  99          2HG       LYS  99 -10.246   1.087 -13.270
  710   1HD   LYS  99          1HD       LYS  99 -11.985  -0.047 -14.181
  711   2HD   LYS  99          2HD       LYS  99 -13.033   1.267 -13.687
  712   1HE   LYS  99          1HE       LYS  99 -11.499   1.791 -16.190
  713   2HE   LYS  99          2HE       LYS  99 -12.646   0.471 -16.306
  714   1HZ   LYS  99          1HZ       LYS  99 -14.109   2.272 -15.066
  715   2HZ   LYS  99          2HZ       LYS  99 -13.138   3.276 -15.912
  716   3HZ   LYS  99          3HZ       LYS  99 -14.038   2.159 -16.693
  717    H    LYS 100           H        LYS 100 -11.429   4.848 -10.742
  718    HA   LYS 100           HA       LYS 100  -8.964   5.667 -10.133
  719   1HB   LYS 100          1HB       LYS 100 -10.641   7.284 -10.124
  720   2HB   LYS 100          2HB       LYS 100 -11.652   6.396  -9.003
  721   1HG   LYS 100          1HG       LYS 100 -10.309   6.972  -7.125
  722   2HG   LYS 100          2HG       LYS 100  -8.918   7.366  -8.116
  723   1HD   LYS 100          1HD       LYS 100  -9.895   9.425  -8.875
  724   2HD   LYS 100          2HD       LYS 100 -11.498   8.960  -8.344
  725   1HE   LYS 100          1HE       LYS 100  -9.914   8.814  -6.002
  726   2HE   LYS 100          2HE       LYS 100  -9.346  10.254  -6.823
  727   1HZ   LYS 100          1HZ       LYS 100 -11.911  10.607  -7.092
  728   2HZ   LYS 100          2HZ       LYS 100 -11.964   9.692  -5.740
  729   3HZ   LYS 100          3HZ       LYS 100 -11.118  11.089  -5.747
  730    H    LEU 101           H        LEU 101 -10.981   3.464  -8.219
  731    HA   LEU 101           HA       LEU 101  -8.743   3.261  -6.328
  732   1HB   LEU 101          1HB       LEU 101 -11.597   3.745  -5.859
  733   2HB   LEU 101          2HB       LEU 101 -10.948   2.410  -4.927
  734    HG   LEU 101           HG       LEU 101  -9.574   3.749  -3.666
  735   1HD1  LEU 101          1HD1      LEU 101  -9.468   5.558  -6.064
  736   2HD1  LEU 101          2HD1      LEU 101  -8.984   6.150  -4.457
  737   3HD1  LEU 101          3HD1      LEU 101  -8.144   4.759  -5.183
  738   1HD2  LEU 101          1HD2      LEU 101 -12.035   4.378  -3.459
  739   2HD2  LEU 101          2HD2      LEU 101 -10.847   5.533  -2.809
  740   3HD2  LEU 101          3HD2      LEU 101 -11.626   5.846  -4.378
  741    H    THR 102           H        THR 102  -7.779   1.305  -6.351
  742    HA   THR 102           HA       THR 102  -7.506  -0.902  -6.535
  743    HB   THR 102           HB       THR 102  -9.327  -2.310  -6.045
  744    HG1  THR 102           HG1      THR 102 -11.265  -2.027  -7.210
  745   1HG2  THR 102          1HG2      THR 102  -9.471   0.176  -4.780
  746   2HG2  THR 102          2HG2      THR 102 -11.097   0.007  -5.485
  747   3HG2  THR 102          3HG2      THR 102 -10.477  -1.233  -4.368
  748    H    GLY 103           H        GLY 103  -8.218   1.211  -8.861
  749   1HA   GLY 103          2HA       GLY 103  -8.410   1.146 -11.126
  750   2HA   GLY 103          1HA       GLY 103  -8.777  -0.566 -11.059
  751    H    CYS 104           H        CYS 104  -7.319  -0.969 -12.854
  752    HA   CYS 104           HA       CYS 104  -4.560  -1.125 -11.937
  753   1HB   CYS 104          1HB       CYS 104  -5.906  -2.485 -14.281
  754   2HB   CYS 104          2HB       CYS 104  -4.249  -2.729 -13.764
  755    H    LYS 105           H        LYS 105  -6.247  -0.643 -15.132
  756    HA   LYS 105           HA       LYS 105  -4.188   1.321 -15.793
  757   1HB   LYS 105          1HB       LYS 105  -4.403  -0.500 -17.366
  758   2HB   LYS 105          2HB       LYS 105  -6.132  -0.252 -17.504
  759   1HG   LYS 105          1HG       LYS 105  -5.380   2.237 -18.183
  760   2HG   LYS 105          2HG       LYS 105  -3.878   1.435 -18.595
  761   1HD   LYS 105          1HD       LYS 105  -5.114   1.331 -20.612
  762   2HD   LYS 105          2HD       LYS 105  -5.347  -0.262 -19.920
  763   1HE   LYS 105          1HE       LYS 105  -7.495   0.755 -18.809
  764   2HE   LYS 105          2HE       LYS 105  -7.301   2.068 -19.953
  765   1HZ   LYS 105          1HZ       LYS 105  -7.158   0.218 -21.664
  766   2HZ   LYS 105          2HZ       LYS 105  -7.799  -0.752 -20.517
  767   3HZ   LYS 105          3HZ       LYS 105  -8.628   0.555 -21.036
  768    H    GLY 106           H        GLY 106  -4.860   3.180 -14.704
  769   1HA   GLY 106          2HA       GLY 106  -7.478   4.239 -15.589
  770   2HA   GLY 106          1HA       GLY 106  -6.037   5.208 -15.351
  771    H    SER 107           H        SER 107  -5.102   3.846 -12.911
  772    HA   SER 107           HA       SER 107  -7.141   4.903 -11.121
  773   1HB   SER 107          1HB       SER 107  -7.135   3.037  -9.765
  774   2HB   SER 107          2HB       SER 107  -6.775   2.253 -11.290
  775    HG   SER 107           HG       SER 107  -4.881   1.652 -10.510
  776    H    ALA 108           H        ALA 108  -6.220   5.639  -8.982
  777    HA   ALA 108           HA       ALA 108  -4.206   7.392  -9.195
  778   1HB   ALA 108          3HB       ALA 108  -4.036   7.265  -6.744
  779   2HB   ALA 108          1HB       ALA 108  -5.734   7.143  -7.261
  780   3HB   ALA 108          2HB       ALA 108  -4.851   5.683  -6.758
  781    H    CYS 109           H        CYS 109  -3.944   3.866  -8.920
  782    HA   CYS 109           HA       CYS 109  -1.031   4.188  -8.877
  783   1HB   CYS 109          1HB       CYS 109  -2.435   1.640  -8.078
  784   2HB   CYS 109          2HB       CYS 109  -0.803   2.160  -7.707
  785    H    HIS 110           H        HIS 110   0.119   3.102 -10.433
  786    HA   HIS 110           HA       HIS 110   0.602   2.180 -12.472
  787   1HB   HIS 110          1HB       HIS 110  -1.967   0.552 -12.156
  788   2HB   HIS 110          2HB       HIS 110  -0.435   0.112 -13.025
  789    HD1  HIS 110           HD1      HIS 110   1.505   0.769 -10.711
  790    HD2  HIS 110           HD2      HIS 110  -1.981  -1.503 -10.316
  791    HE1  HIS 110           HE1      HIS 110   1.859  -0.738  -8.650
  792    HA   PRO 111           HA       PRO 111  -2.470   4.905 -14.574
  793   1HB   PRO 111          1HB       PRO 111  -0.938   7.143 -14.843
  794   2HB   PRO 111          2HB       PRO 111  -1.778   6.751 -13.307
  795   1HG   PRO 111          1HG       PRO 111   1.022   6.252 -14.236
  796   2HG   PRO 111          2HG       PRO 111   0.638   6.876 -12.599
  797   1HD   PRO 111          1HD       PRO 111   1.258   4.220 -13.138
  798   2HD   PRO 111          2HD       PRO 111   0.161   4.710 -11.811
  799    H    SER 112           H        SER 112  -2.596   4.902 -16.848
  800    HA   SER 112           HA       SER 112  -2.021   4.279 -18.861
  801   1HB   SER 112          1HB       SER 112  -1.034   6.627 -18.616
  802   2HB   SER 112          2HB       SER 112   0.528   5.874 -18.364
  803    HG   SER 112           HG       SER 112   0.637   5.254 -20.461

  No H/Q in entry =         803
  Start of MODEL   13
    1    H1   VAL   1           H1       VAL   1   9.392  15.593  14.499
    2    H2   VAL   1           H2       VAL   1   9.085  14.141  15.233
    3    H3   VAL   1           H3       VAL   1  10.640  14.564  14.854
    4    HA   VAL   1           HA       VAL   1  10.224  14.479  12.576
    5    HB   VAL   1           HB       VAL   1  10.988  12.443  13.371
    6   1HG1  VAL   1          1HG1      VAL   1   8.727  12.604  15.147
    7   2HG1  VAL   1          2HG1      VAL   1   8.769  11.000  14.379
    8   3HG1  VAL   1          3HG1      VAL   1  10.188  11.596  15.272
    9   1HG2  VAL   1          1HG2      VAL   1   9.165  12.458  11.319
   10   2HG2  VAL   1          2HG2      VAL   1  10.200  11.079  11.763
   11   3HG2  VAL   1          3HG2      VAL   1   8.528  11.168  12.368
   12    H    ASP   2           H        ASP   2   8.810  15.167  11.059
   13    HA   ASP   2           HA       ASP   2   6.028  15.196  11.807
   14   1HB   ASP   2          1HB       ASP   2   7.610  17.042  10.550
   15   2HB   ASP   2          2HB       ASP   2   6.947  16.230   9.145
   16    H    VAL   3           H        VAL   3   4.884  15.159   9.156
   17    HA   VAL   3           HA       VAL   3   5.165  12.329   8.566
   18    HB   VAL   3           HB       VAL   3   3.237  13.921   7.035
   19   1HG1  VAL   3          1HG1      VAL   3   3.315  11.359   8.595
   20   2HG1  VAL   3          2HG1      VAL   3   1.740  12.099   8.223
   21   3HG1  VAL   3          3HG1      VAL   3   2.847  11.652   6.903
   22   1HG2  VAL   3          1HG2      VAL   3   3.241  14.012  10.050
   23   2HG2  VAL   3          2HG2      VAL   3   2.953  15.324   8.882
   24   3HG2  VAL   3          3HG2      VAL   3   1.717  14.067   9.132
   25    HA   PRO   4           HA       PRO   4   7.799  12.846   5.120
   26   1HB   PRO   4          1HB       PRO   4   6.911  10.672   3.632
   27   2HB   PRO   4          2HB       PRO   4   7.951  10.541   5.088
   28   1HG   PRO   4          1HG       PRO   4   5.255  10.505   4.726
   29   2HG   PRO   4          2HG       PRO   4   5.782   9.122   5.740
   30   1HD   PRO   4          1HD       PRO   4   4.777  11.008   7.133
   31   2HD   PRO   4          2HD       PRO   4   6.519  10.796   7.487
   32    H    ALA   5           H        ALA   5   7.668  14.118   3.249
   33    HA   ALA   5           HA       ALA   5   5.221  15.226   2.525
   34   1HB   ALA   5          3HB       ALA   5   6.478  16.447   0.996
   35   2HB   ALA   5          2HB       ALA   5   7.542  15.073   0.611
   36   3HB   ALA   5          1HB       ALA   5   7.738  15.947   2.149
   37    H    ASP   6           H        ASP   6   5.409  15.054  -0.403
   38    HA   ASP   6           HA       ASP   6   4.411  12.328  -0.678
   39   1HB   ASP   6          1HB       ASP   6   3.660  14.628  -2.510
   40   2HB   ASP   6          2HB       ASP   6   2.799  13.123  -2.255
   41    H    GLY   7           H        GLY   7   4.416  11.806  -3.290
   42   1HA   GLY   7          2HA       GLY   7   6.723  12.955  -4.641
   43   2HA   GLY   7          1HA       GLY   7   5.547  11.832  -5.293
   44    H    ALA   8           H        ALA   8   5.763  10.035  -2.838
   45    HA   ALA   8           HA       ALA   8   8.507   9.127  -2.965
   46   1HB   ALA   8          1HB       ALA   8   6.563   9.184  -1.001
   47   2HB   ALA   8          2HB       ALA   8   6.519   7.486  -1.531
   48   3HB   ALA   8          3HB       ALA   8   8.044   8.198  -0.952
   49    H    LYS   9           H        LYS   9   9.215   7.693  -4.458
   50    HA   LYS   9           HA       LYS   9   7.223   6.295  -6.034
   51   1HB   LYS   9          1HB       LYS   9  10.186   6.798  -6.322
   52   2HB   LYS   9          2HB       LYS   9   9.359   5.619  -7.320
   53   1HG   LYS   9          1HG       LYS   9   9.519   7.970  -8.313
   54   2HG   LYS   9          2HG       LYS   9   7.910   7.278  -8.283
   55   1HD   LYS   9          1HD       LYS   9   7.238   8.617  -6.411
   56   2HD   LYS   9          2HD       LYS   9   8.891   9.019  -5.992
   57   1HE   LYS   9          1HE       LYS   9   7.872   9.832  -8.718
   58   2HE   LYS   9          2HE       LYS   9   7.334  10.749  -7.325
   59   1HZ   LYS   9          1HZ       LYS   9   9.683  11.018  -6.731
   60   2HZ   LYS   9          2HZ       LYS   9  10.122  10.278  -8.119
   61   3HZ   LYS   9          3HZ       LYS   9   9.317  11.698  -8.170
   62    H    ILE  10           H        ILE  10   6.436   4.425  -5.225
   63    HA   ILE  10           HA       ILE  10   8.189   2.829  -3.536
   64    HB   ILE  10           HB       ILE  10   5.235   2.636  -4.138
   65   1HG1  ILE  10          1HG1      ILE  10   6.756   3.741  -1.761
   66   2HG1  ILE  10          2HG1      ILE  10   5.741   4.634  -2.876
   67   1HG2  ILE  10          1HG2      ILE  10   6.830   0.566  -3.342
   68   2HG2  ILE  10          2HG2      ILE  10   6.311   1.243  -1.780
   69   3HG2  ILE  10          3HG2      ILE  10   5.096   0.727  -2.973
   70   1HD1  ILE  10          1HD1      ILE  10   3.828   3.019  -2.162
   71   2HD1  ILE  10          2HD1      ILE  10   4.897   2.576  -0.809
   72   3HD1  ILE  10          3HD1      ILE  10   4.343   4.257  -0.992
   73    H    ASP  11           H        ASP  11   9.511   1.420  -4.549
   74    HA   ASP  11           HA       ASP  11   8.308  -0.356  -6.442
   75   1HB   ASP  11          1HB       ASP  11   9.081   1.439  -7.929
   76   2HB   ASP  11          2HB       ASP  11  10.654   1.460  -7.156
   77    H    PHE  12           H        PHE  12   8.886  -1.529  -4.281
   78    HA   PHE  12           HA       PHE  12  11.648  -1.873  -3.686
   79   1HB   PHE  12          1HB       PHE  12   8.965  -3.113  -2.889
   80   2HB   PHE  12          2HB       PHE  12  10.455  -3.811  -2.286
   81    HD1  PHE  12           HD1      PHE  12  12.062  -2.216  -1.030
   82    HD2  PHE  12           HD2      PHE  12   7.977  -1.331  -1.759
   83    HE1  PHE  12           HE1      PHE  12  12.092  -0.542   0.840
   84    HE2  PHE  12           HE2      PHE  12   8.006   0.343   0.111
   85    HZ   PHE  12           HZ       PHE  12  10.063   0.717   1.388
   86    H    ILE  13           H        ILE  13   9.512  -3.186  -6.053
   87    HA   ILE  13           HA       ILE  13  11.135  -5.619  -6.248
   88    HB   ILE  13           HB       ILE  13   8.514  -5.041  -7.620
   89   1HG1  ILE  13          1HG1      ILE  13   8.866  -6.555  -5.020
   90   2HG1  ILE  13          2HG1      ILE  13   8.364  -4.878  -5.098
   91   1HG2  ILE  13          1HG2      ILE  13  10.276  -7.447  -7.283
   92   2HG2  ILE  13          2HG2      ILE  13   8.519  -7.649  -7.477
   93   3HG2  ILE  13          3HG2      ILE  13   9.464  -6.821  -8.738
   94   1HD1  ILE  13          1HD1      ILE  13   6.594  -5.877  -6.875
   95   2HD1  ILE  13          2HD1      ILE  13   6.874  -7.352  -5.918
   96   3HD1  ILE  13          3HD1      ILE  13   6.275  -5.876  -5.124
   97    H    ALA  14           H        ALA  14  11.879  -6.280  -8.411
   98    HA   ALA  14           HA       ALA  14  12.590  -3.906  -9.962
   99   1HB   ALA  14          3HB       ALA  14  14.576  -4.975  -9.521
  100   2HB   ALA  14          2HB       ALA  14  14.123  -5.862 -10.996
  101   3HB   ALA  14          1HB       ALA  14  13.812  -6.578  -9.397
  102    H    GLY  15           H        GLY  15  12.703  -4.266 -12.415
  103   1HA   GLY  15          2HA       GLY  15  10.362  -4.515 -13.610
  104   2HA   GLY  15          1HA       GLY  15  10.766  -6.209 -13.414
  105    H    GLY  16           H        GLY  16  10.909  -3.683 -15.571
  106   1HA   GLY  16          2HA       GLY  16  12.364  -4.963 -17.510
  107   2HA   GLY  16          1HA       GLY  16  13.545  -4.008 -16.635
  108    H    GLU  17           H        GLU  17  12.090  -3.840 -19.422
  109    HA   GLU  17           HA       GLU  17  12.371  -1.256 -19.907
  110   1HB   GLU  17          1HB       GLU  17  11.892  -2.635 -21.760
  111   2HB   GLU  17          2HB       GLU  17  10.439  -3.292 -21.031
  112   1HG   GLU  17          1HG       GLU  17   9.127  -1.493 -21.670
  113   2HG   GLU  17          2HG       GLU  17  10.426  -0.333 -21.474
  114    H    LYS  18           H        LYS  18   8.999  -2.549 -19.490
  115    HA   LYS  18           HA       LYS  18   7.926  -0.033 -18.934
  116   1HB   LYS  18          1HB       LYS  18   6.878  -2.819 -18.355
  117   2HB   LYS  18          2HB       LYS  18   5.933  -1.352 -18.194
  118   1HG   LYS  18          1HG       LYS  18   5.635  -1.155 -20.451
  119   2HG   LYS  18          2HG       LYS  18   7.319  -1.498 -20.796
  120   1HD   LYS  18          1HD       LYS  18   6.308  -3.383 -21.732
  121   2HD   LYS  18          2HD       LYS  18   6.671  -3.985 -20.127
  122   1HE   LYS  18          1HE       LYS  18   4.296  -4.450 -20.934
  123   2HE   LYS  18          2HE       LYS  18   4.400  -3.661 -19.374
  124   1HZ   LYS  18          1HZ       LYS  18   4.171  -2.058 -21.801
  125   2HZ   LYS  18          2HZ       LYS  18   2.839  -2.721 -21.129
  126   3HZ   LYS  18          3HZ       LYS  18   3.747  -1.668 -20.272
  127    H    ASN  19           H        ASN  19   9.355   0.947 -17.375
  128    HA   ASN  19           HA       ASN  19  10.127  -0.108 -15.026
  129   1HB   ASN  19          1HB       ASN  19  10.481   2.290 -16.129
  130   2HB   ASN  19          2HB       ASN  19   9.119   2.760 -15.131
  131   2HD2  ASN  19          1HD2      ASN  19  12.101   3.314 -15.149
  132   1HD2  ASN  19          2HD2      ASN  19  12.625   3.060 -13.517
  133    H    LEU  20           H        LEU  20   9.151  -0.423 -12.957
  134    HA   LEU  20           HA       LEU  20   6.281   0.193 -12.843
  135   1HB   LEU  20          1HB       LEU  20   7.734  -2.011 -11.382
  136   2HB   LEU  20          2HB       LEU  20   6.005  -1.736 -11.451
  137    HG   LEU  20           HG       LEU  20   7.660  -2.386 -13.899
  138   1HD1  LEU  20          1HD1      LEU  20   6.195  -4.285 -12.049
  139   2HD1  LEU  20          2HD1      LEU  20   6.817  -4.708 -13.662
  140   3HD1  LEU  20          3HD1      LEU  20   7.944  -4.227 -12.371
  141   1HD2  LEU  20          1HD2      LEU  20   4.926  -1.616 -13.484
  142   2HD2  LEU  20          2HD2      LEU  20   5.788  -1.957 -15.004
  143   3HD2  LEU  20          3HD2      LEU  20   4.986  -3.277 -14.120
  144    H    THR  21           H        THR  21   5.824   1.877 -11.541
  145    HA   THR  21           HA       THR  21   7.072   2.003  -8.940
  146    HB   THR  21           HB       THR  21   7.275   4.522 -10.590
  147    HG1  THR  21           HG1      THR  21   8.331   3.070 -11.984
  148   1HG2  THR  21          1HG2      THR  21   8.005   4.194  -8.088
  149   2HG2  THR  21          2HG2      THR  21   9.345   3.236  -8.761
  150   3HG2  THR  21          3HG2      THR  21   9.172   4.953  -9.196
  151    H    VAL  22           H        VAL  22   5.793   2.991  -7.412
  152    HA   VAL  22           HA       VAL  22   3.300   4.138  -8.464
  153    HB   VAL  22           HB       VAL  22   3.778   2.140  -6.268
  154   1HG1  VAL  22          1HG1      VAL  22   1.452   4.053  -6.563
  155   2HG1  VAL  22          2HG1      VAL  22   1.310   2.500  -5.705
  156   3HG1  VAL  22          3HG1      VAL  22   2.456   3.735  -5.128
  157   1HG2  VAL  22          1HG2      VAL  22   2.248   2.248  -8.837
  158   2HG2  VAL  22          2HG2      VAL  22   3.220   0.932  -8.136
  159   3HG2  VAL  22          3HG2      VAL  22   1.590   1.268  -7.505
  160    H    VAL  23           H        VAL  23   2.917   6.194  -7.808
  161    HA   VAL  23           HA       VAL  23   4.732   7.312  -5.847
  162    HB   VAL  23           HB       VAL  23   2.740   8.405  -7.819
  163   1HG1  VAL  23          1HG1      VAL  23   3.995   9.803  -5.463
  164   2HG1  VAL  23          2HG1      VAL  23   3.635  10.696  -6.960
  165   3HG1  VAL  23          3HG1      VAL  23   2.324   9.886  -6.069
  166   1HG2  VAL  23          1HG2      VAL  23   5.685   8.184  -7.597
  167   2HG2  VAL  23          2HG2      VAL  23   4.640   8.237  -9.036
  168   3HG2  VAL  23          3HG2      VAL  23   5.078   9.745  -8.198
  169    H    PHE  24           H        PHE  24   4.222   7.725  -3.747
  170    HA   PHE  24           HA       PHE  24   1.382   7.472  -3.041
  171   1HB   PHE  24          1HB       PHE  24   2.798   5.559  -2.266
  172   2HB   PHE  24          2HB       PHE  24   3.983   6.670  -1.607
  173    HD1  PHE  24           HD1      PHE  24   0.398   5.717  -1.250
  174    HD2  PHE  24           HD2      PHE  24   3.873   7.257   0.636
  175    HE1  PHE  24           HE1      PHE  24  -0.778   5.657   0.966
  176    HE2  PHE  24           HE2      PHE  24   2.697   7.197   2.852
  177    HZ   PHE  24           HZ       PHE  24   0.385   6.398   2.991
  178    H    ASN  25           H        ASN  25   0.550   8.918  -1.468
  179    HA   ASN  25           HA       ASN  25   2.424  11.012  -0.698
  180   1HB   ASN  25          1HB       ASN  25  -0.452  11.778  -1.048
  181   2HB   ASN  25          2HB       ASN  25   0.991  12.697  -1.427
  182   2HD2  ASN  25          1HD2      ASN  25   0.710  13.264  -3.469
  183   1HD2  ASN  25          2HD2      ASN  25   0.455  12.194  -4.807
  184    H    HIS  26           H        HIS  26   2.430  11.282   1.458
  185    HA   HIS  26           HA       HIS  26   0.688   9.749   3.198
  186   1HB   HIS  26          1HB       HIS  26   3.109  11.478   3.379
  187   2HB   HIS  26          2HB       HIS  26   2.026  11.540   4.835
  188    HD1  HIS  26           HD1      HIS  26   4.202   9.231   2.853
  189    HD2  HIS  26           HD2      HIS  26   2.089   9.267   6.460
  190    HE1  HIS  26           HE1      HIS  26   4.969   7.143   4.157
  191    H    SER  27           H        SER  27   0.864  13.203   2.138
  192    HA   SER  27           HA       SER  27  -0.818  14.296   3.962
  193   1HB   SER  27          1HB       SER  27  -1.449  15.888   2.037
  194   2HB   SER  27          2HB       SER  27   0.254  15.756   2.427
  195    HG   SER  27           HG       SER  27  -1.174  14.666   0.185
  196    H    THR  28           H        THR  28  -1.525  12.144   1.221
  197    HA   THR  28           HA       THR  28  -4.395  12.587   1.519
  198    HB   THR  28           HB       THR  28  -4.466  11.148  -0.538
  199    HG1  THR  28           HG1      THR  28  -2.438  10.282  -1.224
  200   1HG2  THR  28          1HG2      THR  28  -3.506  13.737  -0.463
  201   2HG2  THR  28          2HG2      THR  28  -2.124  12.884  -1.191
  202   3HG2  THR  28          3HG2      THR  28  -3.724  12.809  -1.966
  203    H    HIS  29           H        HIS  29  -2.508  11.304   3.505
  204    HA   HIS  29           HA       HIS  29  -4.324   9.085   4.191
  205   1HB   HIS  29          1HB       HIS  29  -1.335   8.695   3.626
  206   2HB   HIS  29          2HB       HIS  29  -2.376   7.505   4.520
  207    HD1  HIS  29           HD1      HIS  29  -1.164   8.337   1.255
  208    HD2  HIS  29           HD2      HIS  29  -4.602   6.507   2.773
  209    HE1  HIS  29           HE1      HIS  29  -2.211   7.033  -0.707
  210    H    LYS  30           H        LYS  30  -3.694  11.806   5.225
  211    HA   LYS  30           HA       LYS  30  -2.271  11.191   7.691
  212   1HB   LYS  30          1HB       LYS  30  -1.462  13.195   6.917
  213   2HB   LYS  30          2HB       LYS  30  -2.984  13.674   6.194
  214   1HG   LYS  30          1HG       LYS  30  -2.864  13.383   9.198
  215   2HG   LYS  30          2HG       LYS  30  -2.106  14.787   8.474
  216   1HD   LYS  30          1HD       LYS  30  -4.382  15.045   7.161
  217   2HD   LYS  30          2HD       LYS  30  -5.028  13.970   8.385
  218   1HE   LYS  30          1HE       LYS  30  -5.409  15.975   9.477
  219   2HE   LYS  30          2HE       LYS  30  -3.775  15.691  10.044
  220   1HZ   LYS  30          1HZ       LYS  30  -3.884  16.996   7.513
  221   2HZ   LYS  30          2HZ       LYS  30  -4.581  17.861   8.710
  222   3HZ   LYS  30          3HZ       LYS  30  -3.025  17.383   8.847
  223    H    ASP  31           H        ASP  31  -5.492  11.557   6.347
  224    HA   ASP  31           HA       ASP  31  -6.682  12.106   8.869
  225   1HB   ASP  31          1HB       ASP  31  -8.706  12.229   7.683
  226   2HB   ASP  31          2HB       ASP  31  -7.539  12.680   6.456
  227    H    VAL  32           H        VAL  32  -5.125   9.439   7.679
  228    HA   VAL  32           HA       VAL  32  -7.057   7.547   8.827
  229    HB   VAL  32           HB       VAL  32  -4.970   7.298   6.671
  230   1HG1  VAL  32          1HG1      VAL  32  -4.650   5.395   8.177
  231   2HG1  VAL  32          2HG1      VAL  32  -6.390   5.026   8.103
  232   3HG1  VAL  32          3HG1      VAL  32  -5.383   4.869   6.643
  233   1HG2  VAL  32          1HG2      VAL  32  -7.746   7.738   6.650
  234   2HG2  VAL  32          2HG2      VAL  32  -6.707   7.312   5.269
  235   3HG2  VAL  32          3HG2      VAL  32  -7.533   6.031   6.190
  236    H    LYS  33           H        LYS  33  -6.466   6.361  10.608
  237    HA   LYS  33           HA       LYS  33  -4.426   7.227  12.222
  238   1HB   LYS  33          1HB       LYS  33  -5.814   4.533  12.128
  239   2HB   LYS  33          2HB       LYS  33  -4.786   5.069  13.441
  240   1HG   LYS  33          1HG       LYS  33  -6.736   5.890  14.321
  241   2HG   LYS  33          2HG       LYS  33  -6.445   7.240  13.242
  242   1HD   LYS  33          1HD       LYS  33  -8.078   6.571  11.720
  243   2HD   LYS  33          2HD       LYS  33  -7.866   4.867  12.069
  244   1HE   LYS  33          1HE       LYS  33  -9.406   4.887  13.776
  245   2HE   LYS  33          2HE       LYS  33  -8.866   6.438  14.385
  246   1HZ   LYS  33          1HZ       LYS  33  -9.990   6.974  11.964
  247   2HZ   LYS  33          2HZ       LYS  33 -10.996   5.877  12.636
  248   3HZ   LYS  33          3HZ       LYS  33 -10.654   7.264  13.427
  249    H    CYS  34           H        CYS  34  -2.265   7.205  11.966
  250    HA   CYS  34           HA       CYS  34  -0.994   5.886   9.919
  251   1HB   CYS  34          1HB       CYS  34   0.553   6.412  12.402
  252   2HB   CYS  34          2HB       CYS  34   0.948   6.758  10.731
  253    H    ASP  35           H        ASP  35  -2.215   4.749  12.995
  254    HA   ASP  35           HA       ASP  35  -0.430   2.605  13.304
  255   1HB   ASP  35          1HB       ASP  35  -2.168   1.757  14.911
  256   2HB   ASP  35          2HB       ASP  35  -1.711   3.422  15.207
  257    H    ASP  36           H        ASP  36  -3.107   3.296  11.199
  258    HA   ASP  36           HA       ASP  36  -4.092   0.676  10.945
  259   1HB   ASP  36          1HB       ASP  36  -5.551   1.592   9.380
  260   2HB   ASP  36          2HB       ASP  36  -5.102   3.039  10.260
  261    H    CYS  37           H        CYS  37  -1.445   2.595   9.561
  262    HA   CYS  37           HA       CYS  37  -0.972   0.516   7.562
  263   1HB   CYS  37          1HB       CYS  37  -0.285   3.434   7.700
  264   2HB   CYS  37          2HB       CYS  37   0.766   2.365   6.793
  265    H    HIS  38           H        HIS  38   0.496   2.547  10.082
  266    HA   HIS  38           HA       HIS  38   2.938   0.878  10.177
  267   1HB   HIS  38          1HB       HIS  38   2.043   3.421  11.640
  268   2HB   HIS  38          2HB       HIS  38   3.632   2.583  11.911
  269    HD1  HIS  38           HD1      HIS  38   5.335   2.711  10.010
  270    HD2  HIS  38           HD2      HIS  38   1.923   5.036   9.365
  271    HE1  HIS  38           HE1      HIS  38   5.923   4.334   8.096
  272    H    HIS  39           H        HIS  39   3.200  -0.760  11.466
  273    HA   HIS  39           HA       HIS  39   1.298  -2.090  12.925
  274   1HB   HIS  39          1HB       HIS  39   4.319  -1.888  13.120
  275   2HB   HIS  39          2HB       HIS  39   3.407  -2.866  14.348
  276    HD1  HIS  39           HD1      HIS  39   2.890  -5.147  13.732
  277    HD2  HIS  39           HD2      HIS  39   3.892  -2.885  10.363
  278    HE1  HIS  39           HE1      HIS  39   3.015  -6.806  11.763
  279    H    GLN  40           H        GLN  40   3.740   0.155  14.493
  280    HA   GLN  40           HA       GLN  40   1.972   1.607  15.911
  281   1HB   GLN  40          1HB       GLN  40   2.129  -1.084  16.993
  282   2HB   GLN  40          2HB       GLN  40   2.753   0.050  18.174
  283   1HG   GLN  40          1HG       GLN  40   0.688   1.427  17.969
  284   2HG   GLN  40          2HG       GLN  40   0.067   0.337  16.746
  285   2HE2  GLN  40          1HE2      GLN  40  -1.700   0.350  18.395
  286   1HE2  GLN  40          2HE2      GLN  40  -1.674  -0.862  19.632
  287    HA   PRO  41           HA       PRO  41   5.502   3.721  17.415
  288   1HB   PRO  41          1HB       PRO  41   4.714   3.288  20.285
  289   2HB   PRO  41          2HB       PRO  41   4.933   4.802  19.348
  290   1HG   PRO  41          1HG       PRO  41   2.781   3.734  20.144
  291   2HG   PRO  41          2HG       PRO  41   2.597   4.801  18.715
  292   1HD   PRO  41          1HD       PRO  41   2.387   1.848  18.928
  293   2HD   PRO  41          2HD       PRO  41   1.955   2.906  17.551
  294    H    GLY  42           H        GLY  42   7.686   3.297  18.084
  295   1HA   GLY  42          2HA       GLY  42   8.319   0.532  18.444
  296   2HA   GLY  42          1HA       GLY  42   8.525   1.444  19.926
  297    H    ASP  43           H        ASP  43  10.715   0.220  18.592
  298    HA   ASP  43           HA       ASP  43  12.241   2.600  18.052
  299   1HB   ASP  43          1HB       ASP  43  12.805   0.370  19.514
  300   2HB   ASP  43          2HB       ASP  43  13.478  -0.138  17.978
  301    H    LYS  44           H        LYS  44  10.802  -0.221  16.488
  302    HA   LYS  44           HA       LYS  44  12.293   0.374  14.029
  303   1HB   LYS  44          1HB       LYS  44  11.329  -2.142  15.278
  304   2HB   LYS  44          2HB       LYS  44  11.136  -2.029  13.540
  305   1HG   LYS  44          1HG       LYS  44  13.580  -1.348  13.373
  306   2HG   LYS  44          2HG       LYS  44  13.736  -1.635  15.094
  307   1HD   LYS  44          1HD       LYS  44  13.174  -3.652  12.895
  308   2HD   LYS  44          2HD       LYS  44  14.470  -3.665  14.074
  309   1HE   LYS  44          1HE       LYS  44  12.614  -3.899  15.880
  310   2HE   LYS  44          2HE       LYS  44  11.517  -4.239  14.556
  311   1HZ   LYS  44          1HZ       LYS  44  14.027  -5.713  14.830
  312   2HZ   LYS  44          2HZ       LYS  44  12.691  -6.169  15.652
  313   3HZ   LYS  44          3HZ       LYS  44  12.677  -6.145  14.019
  314    H    GLN  45           H        GLN  45   9.981   1.892  15.189
  315    HA   GLN  45           HA       GLN  45   7.596   1.235  14.109
  316   1HB   GLN  45          1HB       GLN  45   8.342   3.258  15.600
  317   2HB   GLN  45          2HB       GLN  45   8.588   4.102  14.084
  318   1HG   GLN  45          1HG       GLN  45   5.972   2.650  14.525
  319   2HG   GLN  45          2HG       GLN  45   6.227   4.183  15.334
  320   2HE2  GLN  45          1HE2      GLN  45   4.938   5.510  14.249
  321   1HE2  GLN  45          2HE2      GLN  45   5.017   5.854  12.553
  322    H    TYR  46           H        TYR  46   9.916   3.547  12.632
  323    HA   TYR  46           HA       TYR  46   8.631   3.254  10.020
  324   1HB   TYR  46          1HB       TYR  46  11.127   4.784  10.821
  325   2HB   TYR  46          2HB       TYR  46  10.190   4.982   9.331
  326    HD1  TYR  46           HD1      TYR  46   7.451   5.157  10.113
  327    HD2  TYR  46           HD2      TYR  46  10.915   6.651  12.167
  328    HE1  TYR  46           HE1      TYR  46   6.051   6.878  11.222
  329    HE2  TYR  46           HE2      TYR  46   9.515   8.372  13.276
  330    HH   TYR  46           HH       TYR  46   7.234   8.910  13.809
  331    H    ALA  47           H        ALA  47  10.518   1.143  11.650
  332    HA   ALA  47           HA       ALA  47  12.781   0.704  10.189
  333   1HB   ALA  47          1HB       ALA  47  12.133  -0.498  12.247
  334   2HB   ALA  47          3HB       ALA  47  12.558  -1.635  10.945
  335   3HB   ALA  47          2HB       ALA  47  10.849  -1.345  11.350
  336    H    GLY  48           H        GLY  48  13.266  -0.856   8.442
  337   1HA   GLY  48          2HA       GLY  48  12.820  -1.962   6.506
  338   2HA   GLY  48          1HA       GLY  48  12.108  -0.418   6.083
  339    H    CYS  49           H        CYS  49  10.599  -1.603   4.679
  340    HA   CYS  49           HA       CYS  49   8.329  -2.553   6.235
  341   1HB   CYS  49          1HB       CYS  49   8.310  -0.682   4.376
  342   2HB   CYS  49          2HB       CYS  49   8.218  -2.051   3.286
  343    H    THR  50           H        THR  50  10.673  -3.403   3.646
  344    HA   THR  50           HA       THR  50   9.533  -6.109   3.551
  345    HB   THR  50           HB       THR  50  11.084  -6.165   1.454
  346    HG1  THR  50           HG1      THR  50  12.360  -4.311   1.932
  347   1HG2  THR  50          1HG2      THR  50   8.504  -4.826   1.842
  348   2HG2  THR  50          2HG2      THR  50   9.456  -4.003   0.583
  349   3HG2  THR  50          3HG2      THR  50   9.085  -5.737   0.427
  350    H    THR  51           H        THR  51  11.196  -4.938   5.790
  351    HA   THR  51           HA       THR  51  13.806  -5.922   5.627
  352    HB   THR  51           HB       THR  51  12.212  -5.841   8.205
  353    HG1  THR  51           HG1      THR  51  11.929  -3.630   7.867
  354   1HG2  THR  51          1HG2      THR  51  15.004  -5.228   7.249
  355   2HG2  THR  51          2HG2      THR  51  14.339  -4.188   8.532
  356   3HG2  THR  51          3HG2      THR  51  14.472  -5.944   8.790
  357    H    ASP  52           H        ASP  52  14.749  -7.760   6.863
  358    HA   ASP  52           HA       ASP  52  13.807 -10.108   5.906
  359   1HB   ASP  52          1HB       ASP  52  15.974  -9.282   7.414
  360   2HB   ASP  52          2HB       ASP  52  15.121 -10.274   8.580
  361    H    GLY  53           H        GLY  53  12.507 -11.839   6.825
  362   1HA   GLY  53          2HA       GLY  53  11.537 -11.936   9.435
  363   2HA   GLY  53          1HA       GLY  53  10.844 -12.738   8.039
  364    H    CYS  54           H        CYS  54  10.329 -10.251   6.499
  365    HA   CYS  54           HA       CYS  54   7.985  -9.413   8.015
  366   1HB   CYS  54          1HB       CYS  54   9.672  -7.401   6.509
  367   2HB   CYS  54          2HB       CYS  54   8.313  -7.092   7.571
  368    H    HIS  55           H        HIS  55   7.959  -7.374   5.626
  369    HA   HIS  55           HA       HIS  55   6.608  -9.232   3.723
  370   1HB   HIS  55          1HB       HIS  55   6.480  -6.179   3.740
  371   2HB   HIS  55          2HB       HIS  55   5.326  -7.372   3.003
  372    HD1  HIS  55           HD1      HIS  55   3.693  -8.521   4.586
  373    HD2  HIS  55           HD2      HIS  55   6.008  -5.569   6.430
  374    HE1  HIS  55           HE1      HIS  55   2.549  -8.013   6.839
  375    H    ASN  56           H        ASN  56   8.995  -9.891   3.215
  376    HA   ASN  56           HA       ASN  56  10.239  -7.959   1.464
  377   1HB   ASN  56          1HB       ASN  56  12.058  -9.811   1.366
  378   2HB   ASN  56          2HB       ASN  56  11.828  -9.025   2.915
  379   2HD2  ASN  56          1HD2      ASN  56  12.888 -11.659   2.273
  380   1HD2  ASN  56          2HD2      ASN  56  11.933 -12.827   3.123
  381    H    ILE  57           H        ILE  57   9.036 -11.391   1.554
  382    HA   ILE  57           HA       ILE  57   9.533 -12.299  -0.893
  383    HB   ILE  57           HB       ILE  57   7.001 -12.495   0.725
  384   1HG1  ILE  57          1HG1      ILE  57   9.622 -13.750   0.808
  385   2HG1  ILE  57          2HG1      ILE  57   8.331 -13.762   1.993
  386   1HG2  ILE  57          1HG2      ILE  57   7.748 -14.040  -1.773
  387   2HG2  ILE  57          2HG2      ILE  57   6.422 -14.460  -0.663
  388   3HG2  ILE  57          3HG2      ILE  57   6.373 -12.928  -1.569
  389   1HD1  ILE  57          1HD1      ILE  57   8.392 -15.520  -0.503
  390   2HD1  ILE  57          2HD1      ILE  57   8.863 -16.052   1.129
  391   3HD1  ILE  57          3HD1      ILE  57   7.179 -15.580   0.798
  392    H    LEU  58           H        LEU  58   9.438 -11.436  -2.889
  393    HA   LEU  58           HA       LEU  58   7.304  -9.486  -3.382
  394   1HB   LEU  58          1HB       LEU  58   9.900  -9.859  -4.878
  395   2HB   LEU  58          2HB       LEU  58   8.721  -8.585  -5.113
  396    HG   LEU  58           HG       LEU  58  10.502  -9.007  -2.702
  397   1HD1  LEU  58          1HD1      LEU  58  10.689  -7.413  -5.130
  398   2HD1  LEU  58          2HD1      LEU  58  10.803  -6.416  -3.660
  399   3HD1  LEU  58          3HD1      LEU  58  11.922  -7.780  -3.899
  400   1HD2  LEU  58          1HD2      LEU  58   8.205  -8.278  -2.052
  401   2HD2  LEU  58          2HD2      LEU  58   9.486  -7.109  -1.652
  402   3HD2  LEU  58          3HD2      LEU  58   8.431  -6.827  -3.058
  403    H    ASP  59           H        ASP  59   6.715 -12.292  -3.334
  404    HA   ASP  59           HA       ASP  59   6.553 -12.894  -6.172
  405   1HB   ASP  59          1HB       ASP  59   5.965 -14.668  -3.755
  406   2HB   ASP  59          2HB       ASP  59   5.971 -15.197  -5.426
  407    H    LYS  60           H        LYS  60   4.466 -13.162  -7.152
  408    HA   LYS  60           HA       LYS  60   2.247 -12.230  -5.501
  409   1HB   LYS  60          1HB       LYS  60   2.659 -10.948  -7.509
  410   2HB   LYS  60          2HB       LYS  60   2.635 -12.391  -8.502
  411   1HG   LYS  60          1HG       LYS  60   0.199 -12.235  -6.891
  412   2HG   LYS  60          2HG       LYS  60   0.421 -10.752  -7.798
  413   1HD   LYS  60          1HD       LYS  60   1.026 -13.094  -9.460
  414   2HD   LYS  60          2HD       LYS  60  -0.585 -13.212  -8.780
  415   1HE   LYS  60          1HE       LYS  60  -1.277 -11.128  -9.759
  416   2HE   LYS  60          2HE       LYS  60   0.372 -10.639 -10.094
  417   1HZ   LYS  60          1HZ       LYS  60   0.106 -12.994 -11.394
  418   2HZ   LYS  60          2HZ       LYS  60  -1.344 -12.280 -11.631
  419   3HZ   LYS  60          3HZ       LYS  60   0.028 -11.512 -12.077
  420    H    ALA  61           H        ALA  61   2.928 -14.703  -4.677
  421    HA   ALA  61           HA       ALA  61   0.657 -16.243  -5.575
  422   1HB   ALA  61          1HB       ALA  61   3.525 -17.219  -5.870
  423   2HB   ALA  61          3HB       ALA  61   2.326 -16.994  -7.166
  424   3HB   ALA  61          2HB       ALA  61   2.094 -18.275  -5.952
  425    H    ASP  62           H        ASP  62   3.759 -16.469  -3.682
  426    HA   ASP  62           HA       ASP  62   3.069 -18.157  -1.789
  427   1HB   ASP  62          1HB       ASP  62   4.910 -15.965  -2.037
  428   2HB   ASP  62          2HB       ASP  62   4.203 -15.850  -0.438
  429    H    LYS  63           H        LYS  63   1.272 -18.319  -0.440
  430    HA   LYS  63           HA       LYS  63  -0.424 -16.046  -0.069
  431   1HB   LYS  63          1HB       LYS  63  -0.530 -18.965   0.434
  432   2HB   LYS  63          2HB       LYS  63  -1.446 -17.978   1.554
  433   1HG   LYS  63          1HG       LYS  63  -1.660 -17.489  -1.435
  434   2HG   LYS  63          2HG       LYS  63  -2.586 -18.773  -0.684
  435   1HD   LYS  63          1HD       LYS  63  -3.255 -16.845   1.050
  436   2HD   LYS  63          2HD       LYS  63  -2.802 -15.787  -0.272
  437   1HE   LYS  63          1HE       LYS  63  -4.582 -16.449  -1.606
  438   2HE   LYS  63          2HE       LYS  63  -4.566 -18.095  -1.006
  439   1HZ   LYS  63          1HZ       LYS  63  -5.244 -16.217   1.008
  440   2HZ   LYS  63          2HZ       LYS  63  -6.282 -16.164  -0.251
  441   3HZ   LYS  63          3HZ       LYS  63  -6.033 -17.569   0.543
  442    H    SER  64           H        SER  64   2.330 -17.435   1.537
  443    HA   SER  64           HA       SER  64   1.972 -17.103   4.122
  444   1HB   SER  64          1HB       SER  64   4.387 -15.837   2.779
  445   2HB   SER  64          2HB       SER  64   4.324 -16.649   4.331
  446    HG   SER  64           HG       SER  64   5.084 -18.277   3.112
  447    H    VAL  65           H        VAL  65   2.328 -15.320   5.701
  448    HA   VAL  65           HA       VAL  65   1.167 -12.861   4.688
  449    HB   VAL  65           HB       VAL  65   0.427 -14.194   6.758
  450   1HG1  VAL  65          1HG1      VAL  65   2.919 -14.203   7.577
  451   2HG1  VAL  65          2HG1      VAL  65   2.509 -12.597   8.227
  452   3HG1  VAL  65          3HG1      VAL  65   1.594 -14.030   8.753
  453   1HG2  VAL  65          1HG2      VAL  65  -0.362 -11.918   6.122
  454   2HG2  VAL  65          2HG2      VAL  65  -0.310 -12.180   7.882
  455   3HG2  VAL  65          3HG2      VAL  65   0.963 -11.224   7.087
  456    H    ASN  66           H        ASN  66   3.759 -13.351   3.681
  457    HA   ASN  66           HA       ASN  66   5.164 -11.212   5.056
  458   1HB   ASN  66          1HB       ASN  66   6.373 -13.833   4.029
  459   2HB   ASN  66          2HB       ASN  66   7.338 -12.452   4.513
  460   2HD2  ASN  66          1HD2      ASN  66   7.239 -11.700   6.682
  461   1HD2  ASN  66          2HD2      ASN  66   6.835 -12.764   7.989
  462    H    SER  67           H        SER  67   3.404 -11.586   2.555
  463    HA   SER  67           HA       SER  67   5.379 -11.120   0.486
  464   1HB   SER  67          1HB       SER  67   2.712 -12.300   0.586
  465   2HB   SER  67          2HB       SER  67   2.761 -11.026  -0.617
  466    HG   SER  67           HG       SER  67   3.541 -12.670  -1.805
  467    H    TRP  68           H        TRP  68   5.876  -9.033  -0.077
  468    HA   TRP  68           HA       TRP  68   4.725  -6.834   1.137
  469   1HB   TRP  68          1HB       TRP  68   6.895  -6.653   0.241
  470   2HB   TRP  68          2HB       TRP  68   6.383  -7.171  -1.353
  471    HD1  TRP  68           HD1      TRP  68   6.437  -5.130  -2.969
  472    HE1  TRP  68           HE1      TRP  68   5.887  -2.549  -2.932
  473    HE3  TRP  68           HE3      TRP  68   5.091  -4.953   1.931
  474    HZ2  TRP  68           HZ2      TRP  68   4.971  -0.764  -0.902
  475    HZ3  TRP  68           HZ3      TRP  68   4.382  -2.753   2.862
  476    HH2  TRP  68           HH2      TRP  68   4.309  -0.704   1.530
  477    H    TYR  69           H        TYR  69   4.153  -8.385  -2.026
  478    HA   TYR  69           HA       TYR  69   2.106  -6.525  -2.846
  479   1HB   TYR  69          1HB       TYR  69   3.136  -7.576  -4.629
  480   2HB   TYR  69          2HB       TYR  69   3.221  -9.140  -3.801
  481    HD1  TYR  69           HD1      TYR  69   1.062 -10.465  -3.489
  482    HD2  TYR  69           HD2      TYR  69   1.379  -7.084  -6.119
  483    HE1  TYR  69           HE1      TYR  69  -0.970 -11.214  -4.696
  484    HE2  TYR  69           HE2      TYR  69  -0.655  -7.833  -7.326
  485    HH   TYR  69           HH       TYR  69  -2.115  -9.640  -7.648
  486    H    LYS  70           H        LYS  70   2.111  -8.738  -0.318
  487    HA   LYS  70           HA       LYS  70  -0.699  -9.432  -0.787
  488   1HB   LYS  70          1HB       LYS  70   0.701 -11.371  -0.480
  489   2HB   LYS  70          2HB       LYS  70   1.418 -10.699   0.970
  490   1HG   LYS  70          1HG       LYS  70  -0.680 -10.844   2.186
  491   2HG   LYS  70          2HG       LYS  70  -1.579 -11.198   0.725
  492   1HD   LYS  70          1HD       LYS  70   0.359 -13.209   0.736
  493   2HD   LYS  70          2HD       LYS  70   0.012 -13.014   2.442
  494   1HE   LYS  70          1HE       LYS  70  -2.420 -13.030   0.735
  495   2HE   LYS  70          2HE       LYS  70  -1.503 -14.522   0.659
  496   1HZ   LYS  70          1HZ       LYS  70  -1.488 -14.383   3.160
  497   2HZ   LYS  70          2HZ       LYS  70  -2.654 -13.247   3.026
  498   3HZ   LYS  70          3HZ       LYS  70  -2.915 -14.756   2.458
  499    H    VAL  71           H        VAL  71   1.056  -6.975   0.472
  500    HA   VAL  71           HA       VAL  71  -0.739  -6.699   2.784
  501    HB   VAL  71           HB       VAL  71   0.947  -5.404   3.852
  502   1HG1  VAL  71          1HG1      VAL  71   1.458  -8.123   2.948
  503   2HG1  VAL  71          2HG1      VAL  71   2.971  -7.250   3.290
  504   3HG1  VAL  71          3HG1      VAL  71   1.718  -7.384   4.547
  505   1HG2  VAL  71          1HG2      VAL  71   1.833  -4.822   1.255
  506   2HG2  VAL  71          2HG2      VAL  71   2.538  -4.253   2.787
  507   3HG2  VAL  71          3HG2      VAL  71   3.168  -5.726   2.009
  508    H    VAL  72           H        VAL  72  -0.691  -5.970  -0.341
  509    HA   VAL  72           HA       VAL  72  -1.694  -3.257   0.145
  510    HB   VAL  72           HB       VAL  72   0.063  -4.215  -2.120
  511   1HG1  VAL  72          1HG1      VAL  72  -1.979  -2.493  -2.487
  512   2HG1  VAL  72          2HG1      VAL  72  -0.729  -1.354  -1.930
  513   3HG1  VAL  72          3HG1      VAL  72  -0.431  -2.374  -3.359
  514   1HG2  VAL  72          1HG2      VAL  72   0.499  -2.565   0.323
  515   2HG2  VAL  72          2HG2      VAL  72   1.608  -3.657  -0.540
  516   3HG2  VAL  72          3HG2      VAL  72   1.296  -2.024  -1.174
  517    H    HIS  73           H        HIS  73  -1.476  -5.880  -2.261
  518    HA   HIS  73           HA       HIS  73  -4.120  -5.266  -3.361
  519   1HB   HIS  73          1HB       HIS  73  -2.273  -7.660  -3.875
  520   2HB   HIS  73          2HB       HIS  73  -3.654  -7.086  -4.904
  521    HD1  HIS  73           HD1      HIS  73  -0.082  -6.547  -4.172
  522    HD2  HIS  73           HD2      HIS  73  -3.083  -4.740  -6.452
  523    HE1  HIS  73           HE1      HIS  73   1.116  -4.941  -5.794
  524    H    ASP  74           H        ASP  74  -3.265  -6.551  -0.444
  525    HA   ASP  74           HA       ASP  74  -4.781  -8.905  -0.408
  526   1HB   ASP  74          1HB       ASP  74  -3.015  -7.635   1.306
  527   2HB   ASP  74          2HB       ASP  74  -4.538  -7.349   2.124
  528    H    ALA  75           H        ALA  75  -6.566  -7.441  -1.706
  529    HA   ALA  75           HA       ALA  75  -8.124  -5.562  -0.579
  530   1HB   ALA  75          2HB       ALA  75  -9.381  -7.910  -2.006
  531   2HB   ALA  75          1HB       ALA  75  -8.244  -6.840  -2.861
  532   3HB   ALA  75          3HB       ALA  75  -9.741  -6.174  -2.163
  533    H    LYS  76           H        LYS  76  -7.935  -9.019   0.273
  534    HA   LYS  76           HA       LYS  76 -10.292  -9.214   1.722
  535   1HB   LYS  76          1HB       LYS  76  -9.567 -11.294   2.140
  536   2HB   LYS  76          2HB       LYS  76  -8.275 -10.905   1.022
  537   1HG   LYS  76          1HG       LYS  76  -6.837 -10.159   2.912
  538   2HG   LYS  76          2HG       LYS  76  -8.134 -10.479   4.045
  539   1HD   LYS  76          1HD       LYS  76  -8.112 -12.915   3.150
  540   2HD   LYS  76          2HD       LYS  76  -6.603 -12.504   2.360
  541   1HE   LYS  76          1HE       LYS  76  -6.164 -11.552   4.935
  542   2HE   LYS  76          2HE       LYS  76  -7.161 -12.960   5.244
  543   1HZ   LYS  76          1HZ       LYS  76  -5.148 -13.449   3.302
  544   2HZ   LYS  76          2HZ       LYS  76  -4.523 -12.995   4.740
  545   3HZ   LYS  76          3HZ       LYS  76  -5.513 -14.290   4.653
  546    H    GLY  77           H        GLY  77  -6.966  -8.222   2.758
  547   1HA   GLY  77          2HA       GLY  77  -8.031  -6.418   4.701
  548   2HA   GLY  77          1HA       GLY  77  -6.348  -6.813   4.414
  549    H    GLY  78           H        GLY  78  -5.586  -7.262   6.472
  550   1HA   GLY  78          2HA       GLY  78  -5.180  -9.142   7.907
  551   2HA   GLY  78          1HA       GLY  78  -6.889  -9.526   7.854
  552    H    ALA  79           H        ALA  79  -4.861  -8.728  10.090
  553    HA   ALA  79           HA       ALA  79  -6.657  -7.521  11.789
  554   1HB   ALA  79          3HB       ALA  79  -4.976  -7.774  13.301
  555   2HB   ALA  79          2HB       ALA  79  -3.786  -6.947  12.269
  556   3HB   ALA  79          1HB       ALA  79  -4.175  -8.660  11.981
  557    H    LYS  80           H        LYS  80  -4.398  -6.117   9.415
  558    HA   LYS  80           HA       LYS  80  -5.536  -3.497  10.076
  559   1HB   LYS  80          1HB       LYS  80  -2.627  -4.108   9.473
  560   2HB   LYS  80          2HB       LYS  80  -3.312  -2.497   9.563
  561   1HG   LYS  80          1HG       LYS  80  -3.040  -2.514  11.811
  562   2HG   LYS  80          2HG       LYS  80  -4.166  -3.851  11.932
  563   1HD   LYS  80          1HD       LYS  80  -2.497  -5.420  12.171
  564   2HD   LYS  80          2HD       LYS  80  -1.440  -4.630  11.019
  565   1HE   LYS  80          1HE       LYS  80  -0.460  -4.507  13.279
  566   2HE   LYS  80          2HE       LYS  80  -0.859  -2.897  12.714
  567   1HZ   LYS  80          1HZ       LYS  80  -2.745  -4.443  14.330
  568   2HZ   LYS  80          2HZ       LYS  80  -1.582  -3.528  15.021
  569   3HZ   LYS  80          3HZ       LYS  80  -2.716  -2.830  14.075
  570    HA   PRO  81           HA       PRO  81  -6.787  -3.295   5.911
  571   1HB   PRO  81          1HB       PRO  81  -6.429  -0.543   5.528
  572   2HB   PRO  81          2HB       PRO  81  -7.809  -1.293   6.393
  573   1HG   PRO  81          1HG       PRO  81  -5.270  -0.016   7.705
  574   2HG   PRO  81          2HG       PRO  81  -7.040   0.088   7.978
  575   1HD   PRO  81          1HD       PRO  81  -5.371  -1.652   9.353
  576   2HD   PRO  81          2HD       PRO  81  -7.079  -2.041   8.985
  577    H    THR  82           H        THR  82  -5.886  -3.062   3.730
  578    HA   THR  82           HA       THR  82  -2.958  -2.870   3.801
  579    HB   THR  82           HB       THR  82  -3.434  -3.988   1.426
  580    HG1  THR  82           HG1      THR  82  -5.599  -4.400   1.224
  581   1HG2  THR  82          1HG2      THR  82  -2.881  -5.067   3.948
  582   2HG2  THR  82          2HG2      THR  82  -4.382  -5.903   3.483
  583   3HG2  THR  82          3HG2      THR  82  -2.949  -5.998   2.432
  584    H    CYS  83           H        CYS  83  -4.774  -2.491   0.812
  585    HA   CYS  83           HA       CYS  83  -4.449   0.384   0.925
  586   1HB   CYS  83          1HB       CYS  83  -3.162  -1.247  -1.274
  587   2HB   CYS  83          2HB       CYS  83  -3.213   0.502  -1.164
  588    H    ILE  84           H        ILE  84  -5.314  -2.582  -0.973
  589    HA   ILE  84           HA       ILE  84  -7.229  -1.148  -2.546
  590    HB   ILE  84           HB       ILE  84  -6.138  -3.894  -2.387
  591   1HG1  ILE  84          1HG1      ILE  84  -6.680  -1.837  -4.524
  592   2HG1  ILE  84          2HG1      ILE  84  -5.143  -2.490  -3.992
  593   1HG2  ILE  84          1HG2      ILE  84  -8.539  -4.331  -2.168
  594   2HG2  ILE  84          2HG2      ILE  84  -8.854  -3.344  -3.616
  595   3HG2  ILE  84          3HG2      ILE  84  -7.918  -4.852  -3.753
  596   1HD1  ILE  84          1HD1      ILE  84  -6.096  -4.804  -4.797
  597   2HD1  ILE  84          2HD1      ILE  84  -7.269  -3.814  -5.698
  598   3HD1  ILE  84          3HD1      ILE  84  -5.526  -3.639  -6.017
  599    H    SER  85           H        SER  85  -7.169  -3.062   0.451
  600    HA   SER  85           HA       SER  85  -9.822  -3.697   0.610
  601   1HB   SER  85          1HB       SER  85  -9.436  -3.739   3.098
  602   2HB   SER  85          2HB       SER  85  -8.217  -4.603   2.183
  603    HG   SER  85           HG       SER  85  -7.002  -2.431   2.280
  604    H    CYS  86           H        CYS  86  -8.326  -1.052   2.605
  605    HA   CYS  86           HA       CYS  86 -10.544   0.235   3.334
  606   1HB   CYS  86          1HB       CYS  86  -8.330   0.890   4.103
  607   2HB   CYS  86          2HB       CYS  86  -7.908   1.497   2.515
  608    H    HIS  87           H        HIS  87  -8.587   1.107   0.471
  609    HA   HIS  87           HA       HIS  87 -10.146   3.008  -0.754
  610   1HB   HIS  87          1HB       HIS  87  -8.363   0.777  -1.778
  611   2HB   HIS  87          2HB       HIS  87  -9.290   1.794  -2.963
  612    HD1  HIS  87           HD1      HIS  87  -7.595   3.201  -3.945
  613    HD2  HIS  87           HD2      HIS  87  -7.201   3.095   0.214
  614    HE1  HIS  87           HE1      HIS  87  -5.752   4.903  -3.355
  615    H    LYS  88           H        LYS  88 -10.516  -0.592  -1.355
  616    HA   LYS  88           HA       LYS  88 -12.737  -0.410  -2.958
  617   1HB   LYS  88          1HB       LYS  88 -11.514  -2.460  -2.739
  618   2HB   LYS  88          2HB       LYS  88 -11.840  -2.555  -1.020
  619   1HG   LYS  88          1HG       LYS  88 -13.945  -3.408  -1.333
  620   2HG   LYS  88          2HG       LYS  88 -14.299  -2.318  -2.659
  621   1HD   LYS  88          1HD       LYS  88 -13.753  -3.883  -4.219
  622   2HD   LYS  88          2HD       LYS  88 -12.229  -4.242  -3.432
  623   1HE   LYS  88          1HE       LYS  88 -13.366  -5.746  -1.827
  624   2HE   LYS  88          2HE       LYS  88 -14.930  -5.324  -2.496
  625   1HZ   LYS  88          1HZ       LYS  88 -12.759  -6.630  -3.986
  626   2HZ   LYS  88          2HZ       LYS  88 -14.090  -7.376  -3.403
  627   3HZ   LYS  88          3HZ       LYS  88 -14.231  -6.260  -4.588
  628    H    ASP  89           H        ASP  89 -12.546  -0.630   0.651
  629    HA   ASP  89           HA       ASP  89 -15.300  -0.636   1.002
  630   1HB   ASP  89          1HB       ASP  89 -13.146  -0.984   2.629
  631   2HB   ASP  89          2HB       ASP  89 -13.534   0.671   3.056
  632    H    LYS  90           H        LYS  90 -12.939   1.855   0.233
  633    HA   LYS  90           HA       LYS  90 -14.877   3.951   0.910
  634   1HB   LYS  90          1HB       LYS  90 -11.872   4.064   0.528
  635   2HB   LYS  90          2HB       LYS  90 -12.890   5.476   0.727
  636   1HG   LYS  90          1HG       LYS  90 -13.450   3.449   2.785
  637   2HG   LYS  90          2HG       LYS  90 -11.761   3.914   2.789
  638   1HD   LYS  90          1HD       LYS  90 -12.562   6.366   2.766
  639   2HD   LYS  90          2HD       LYS  90 -14.176   5.755   3.065
  640   1HE   LYS  90          1HE       LYS  90 -12.771   4.399   5.006
  641   2HE   LYS  90          2HE       LYS  90 -11.820   5.867   4.899
  642   1HZ   LYS  90          1HZ       LYS  90 -14.173   6.941   4.961
  643   2HZ   LYS  90          2HZ       LYS  90 -14.584   5.545   5.701
  644   3HZ   LYS  90          3HZ       LYS  90 -13.422   6.496   6.341
  645    H    ALA  91           H        ALA  91 -15.772   2.612  -1.197
  646    HA   ALA  91           HA       ALA  91 -15.200   4.444  -3.382
  647   1HB   ALA  91          1HB       ALA  91 -14.734   1.464  -3.394
  648   2HB   ALA  91          3HB       ALA  91 -13.740   2.767  -4.089
  649   3HB   ALA  91          2HB       ALA  91 -15.257   2.284  -4.884
  650    H    GLY  92           H        GLY  92 -17.369   4.127  -1.403
  651   1HA   GLY  92          2HA       GLY  92 -19.588   4.536  -2.897
  652   2HA   GLY  92          1HA       GLY  92 -19.609   3.861  -1.280
  653    H    ASP  93           H        ASP  93 -20.211   3.273  -4.634
  654    HA   ASP  93           HA       ASP  93 -19.961   0.460  -4.506
  655   1HB   ASP  93          1HB       ASP  93 -22.125   1.102  -3.176
  656   2HB   ASP  93          2HB       ASP  93 -22.801   1.526  -4.736
  657    H    ASP  94           H        ASP  94 -19.004   2.561  -6.229
  658    HA   ASP  94           HA       ASP  94 -20.499   1.909  -8.638
  659   1HB   ASP  94          1HB       ASP  94 -20.288   4.477  -7.461
  660   2HB   ASP  94          2HB       ASP  94 -19.126   4.504  -8.772
  661    H    LYS  95           H        LYS  95 -19.080   1.984 -10.626
  662    HA   LYS  95           HA       LYS  95 -16.458   1.031 -10.024
  663   1HB   LYS  95          1HB       LYS  95 -18.326   0.831 -12.160
  664   2HB   LYS  95          2HB       LYS  95 -16.864   1.532 -12.824
  665   1HG   LYS  95          1HG       LYS  95 -15.768  -0.425 -11.244
  666   2HG   LYS  95          2HG       LYS  95 -17.301  -1.179 -11.635
  667   1HD   LYS  95          1HD       LYS  95 -15.625   0.082 -13.830
  668   2HD   LYS  95          2HD       LYS  95 -15.240  -1.525 -13.247
  669   1HE   LYS  95          1HE       LYS  95 -18.063  -1.515 -13.640
  670   2HE   LYS  95          2HE       LYS  95 -17.394  -0.690 -15.033
  671   1HZ   LYS  95          1HZ       LYS  95 -15.736  -2.744 -14.791
  672   2HZ   LYS  95          2HZ       LYS  95 -17.115  -3.428 -14.247
  673   3HZ   LYS  95          3HZ       LYS  95 -17.067  -2.762 -15.737
  674    H    GLU  96           H        GLU  96 -17.943   4.117 -10.743
  675    HA   GLU  96           HA       GLU  96 -15.819   5.375 -11.960
  676   1HB   GLU  96          1HB       GLU  96 -18.141   6.313 -10.264
  677   2HB   GLU  96          2HB       GLU  96 -16.914   7.466 -10.750
  678   1HG   GLU  96          1HG       GLU  96 -18.474   5.672 -12.670
  679   2HG   GLU  96          2HG       GLU  96 -18.839   7.358 -12.361
  680    H    LEU  97           H        LEU  97 -16.618   4.918  -8.467
  681    HA   LEU  97           HA       LEU  97 -14.161   6.281  -7.732
  682   1HB   LEU  97          1HB       LEU  97 -16.710   5.974  -6.583
  683   2HB   LEU  97          2HB       LEU  97 -15.614   5.079  -5.549
  684    HG   LEU  97           HG       LEU  97 -15.025   7.920  -6.384
  685   1HD1  LEU  97          1HD1      LEU  97 -17.259   7.899  -5.369
  686   2HD1  LEU  97          2HD1      LEU  97 -16.604   7.056  -3.945
  687   3HD1  LEU  97          3HD1      LEU  97 -16.064   8.708  -4.326
  688   1HD2  LEU  97          1HD2      LEU  97 -13.954   5.997  -4.353
  689   2HD2  LEU  97          2HD2      LEU  97 -13.093   7.090  -5.463
  690   3HD2  LEU  97          3HD2      LEU  97 -13.899   7.745  -4.017
  691    H    LYS  98           H        LYS  98 -14.885   3.319  -8.962
  692    HA   LYS  98           HA       LYS  98 -13.128   1.881  -7.118
  693   1HB   LYS  98          1HB       LYS  98 -15.501   1.080  -7.939
  694   2HB   LYS  98          2HB       LYS  98 -14.626   0.582  -9.373
  695   1HG   LYS  98          1HG       LYS  98 -14.558  -1.325  -7.944
  696   2HG   LYS  98          2HG       LYS  98 -12.967  -0.608  -7.790
  697   1HD   LYS  98          1HD       LYS  98 -13.523   0.411  -5.663
  698   2HD   LYS  98          2HD       LYS  98 -15.229   0.070  -5.865
  699   1HE   LYS  98          1HE       LYS  98 -13.330  -2.271  -5.919
  700   2HE   LYS  98          2HE       LYS  98 -13.626  -1.506  -4.371
  701   1HZ   LYS  98          1HZ       LYS  98 -15.999  -1.955  -5.882
  702   2HZ   LYS  98          2HZ       LYS  98 -15.209  -3.334  -5.507
  703   3HZ   LYS  98          3HZ       LYS  98 -15.676  -2.312  -4.322
  704    H    LYS  99           H        LYS  99 -13.421   3.230 -10.382
  705    HA   LYS  99           HA       LYS  99 -11.254   1.789 -11.485
  706   1HB   LYS  99          1HB       LYS  99 -12.831   4.230 -12.264
  707   2HB   LYS  99          2HB       LYS  99 -11.372   3.814 -13.140
  708   1HG   LYS  99          1HG       LYS  99 -12.250   1.743 -13.896
  709   2HG   LYS  99          2HG       LYS  99 -13.455   1.674 -12.625
  710   1HD   LYS  99          1HD       LYS  99 -14.436   2.242 -14.867
  711   2HD   LYS  99          2HD       LYS  99 -14.755   3.468 -13.657
  712   1HE   LYS  99          1HE       LYS  99 -13.252   5.008 -14.609
  713   2HE   LYS  99          2HE       LYS  99 -12.272   3.759 -15.351
  714   1HZ   LYS  99          1HZ       LYS  99 -15.028   4.286 -16.200
  715   2HZ   LYS  99          2HZ       LYS  99 -13.745   5.046 -16.866
  716   3HZ   LYS  99          3HZ       LYS  99 -13.887   3.423 -16.988
  717    H    LYS 100           H        LYS 100 -11.590   4.741  -9.524
  718    HA   LYS 100           HA       LYS 100  -8.675   5.061  -9.703
  719   1HB   LYS 100          1HB       LYS 100 -10.456   6.919 -10.440
  720   2HB   LYS 100          2HB       LYS 100 -10.417   7.279  -8.726
  721   1HG   LYS 100          1HG       LYS 100  -8.019   7.654  -8.763
  722   2HG   LYS 100          2HG       LYS 100  -7.870   6.982 -10.374
  723   1HD   LYS 100          1HD       LYS 100  -8.929   8.862 -11.397
  724   2HD   LYS 100          2HD       LYS 100  -9.644   9.398  -9.889
  725   1HE   LYS 100          1HE       LYS 100  -7.793  10.602  -9.318
  726   2HE   LYS 100          2HE       LYS 100  -6.715   9.270  -9.683
  727   1HZ   LYS 100          1HZ       LYS 100  -7.418   9.979 -12.111
  728   2HZ   LYS 100          2HZ       LYS 100  -7.571  11.431 -11.379
  729   3HZ   LYS 100          3HZ       LYS 100  -6.142  10.642 -11.337
  730    H    LEU 101           H        LEU 101  -8.546   3.259  -8.121
  731    HA   LEU 101           HA       LEU 101  -8.033   4.130  -5.595
  732   1HB   LEU 101          1HB       LEU 101 -10.786   4.141  -5.937
  733   2HB   LEU 101          2HB       LEU 101 -10.482   2.632  -5.100
  734    HG   LEU 101           HG       LEU 101  -9.531   3.719  -3.227
  735   1HD1  LEU 101          1HD1      LEU 101  -8.882   5.802  -5.143
  736   2HD1  LEU 101          2HD1      LEU 101  -9.594   6.473  -3.656
  737   3HD1  LEU 101          3HD1      LEU 101  -8.154   5.431  -3.562
  738   1HD2  LEU 101          1HD2      LEU 101 -12.045   4.931  -4.292
  739   2HD2  LEU 101          2HD2      LEU 101 -11.778   3.907  -2.861
  740   3HD2  LEU 101          3HD2      LEU 101 -11.321   5.627  -2.822
  741    H    THR 102           H        THR 102  -9.401   1.487  -7.608
  742    HA   THR 102           HA       THR 102  -7.398  -0.289  -6.382
  743    HB   THR 102           HB       THR 102  -9.094  -2.096  -6.485
  744    HG1  THR 102           HG1      THR 102 -10.844  -1.673  -7.779
  745   1HG2  THR 102          1HG2      THR 102  -9.150  -0.453  -4.478
  746   2HG2  THR 102          2HG2      THR 102 -10.495   0.356  -5.318
  747   3HG2  THR 102          3HG2      THR 102 -10.660  -1.340  -4.802
  748    H    GLY 103           H        GLY 103  -9.421   0.534  -9.242
  749   1HA   GLY 103          2HA       GLY 103  -8.798   0.505 -11.427
  750   2HA   GLY 103          1HA       GLY 103  -8.671  -1.215 -11.114
  751    H    CYS 104           H        CYS 104  -6.985  -1.222 -12.823
  752    HA   CYS 104           HA       CYS 104  -4.411  -0.473 -11.659
  753   1HB   CYS 104          1HB       CYS 104  -4.428  -2.249 -14.007
  754   2HB   CYS 104          2HB       CYS 104  -3.491  -2.331 -12.528
  755    H    LYS 105           H        LYS 105  -5.568  -1.097 -15.045
  756    HA   LYS 105           HA       LYS 105  -4.021   1.075 -16.029
  757   1HB   LYS 105          1HB       LYS 105  -4.232  -0.825 -17.425
  758   2HB   LYS 105          2HB       LYS 105  -5.976  -0.868 -17.262
  759   1HG   LYS 105          1HG       LYS 105  -5.944   1.513 -18.351
  760   2HG   LYS 105          2HG       LYS 105  -4.292   1.142 -18.802
  761   1HD   LYS 105          1HD       LYS 105  -5.490   0.403 -20.688
  762   2HD   LYS 105          2HD       LYS 105  -5.282  -1.084 -19.785
  763   1HE   LYS 105          1HE       LYS 105  -7.576  -1.164 -20.274
  764   2HE   LYS 105          2HE       LYS 105  -7.594  -0.452 -18.673
  765   1HZ   LYS 105          1HZ       LYS 105  -7.590   1.735 -19.811
  766   2HZ   LYS 105          2HZ       LYS 105  -7.821   0.964 -21.232
  767   3HZ   LYS 105          3HZ       LYS 105  -8.945   0.855 -20.051
  768    H    GLY 106           H        GLY 106  -4.678   3.013 -15.066
  769   1HA   GLY 106          2HA       GLY 106  -7.392   3.891 -15.846
  770   2HA   GLY 106          1HA       GLY 106  -5.982   4.926 -15.734
  771    H    SER 107           H        SER 107  -4.935   3.655 -13.241
  772    HA   SER 107           HA       SER 107  -6.870   4.878 -11.447
  773   1HB   SER 107          1HB       SER 107  -7.132   2.996 -10.219
  774   2HB   SER 107          2HB       SER 107  -6.377   2.131 -11.542
  775    HG   SER 107           HG       SER 107  -4.410   2.133 -10.497
  776    H    ALA 108           H        ALA 108  -5.809   5.539  -9.303
  777    HA   ALA 108           HA       ALA 108  -3.678   7.175  -9.697
  778   1HB   ALA 108          2HB       ALA 108  -3.879   5.885  -7.018
  779   2HB   ALA 108          1HB       ALA 108  -5.370   6.624  -7.649
  780   3HB   ALA 108          3HB       ALA 108  -3.899   7.608  -7.463
  781    H    CYS 109           H        CYS 109  -3.715   3.675  -9.316
  782    HA   CYS 109           HA       CYS 109  -0.788   3.739  -9.168
  783   1HB   CYS 109          1HB       CYS 109  -2.585   1.441  -8.336
  784   2HB   CYS 109          2HB       CYS 109  -0.850   1.560  -8.122
  785    H    HIS 110           H        HIS 110   0.323   2.537 -10.671
  786    HA   HIS 110           HA       HIS 110   0.794   1.654 -12.733
  787   1HB   HIS 110          1HB       HIS 110  -1.792   0.056 -12.453
  788   2HB   HIS 110          2HB       HIS 110  -0.221  -0.419 -13.231
  789    HD1  HIS 110           HD1      HIS 110   1.589   0.311 -10.820
  790    HD2  HIS 110           HD2      HIS 110  -1.903  -1.973 -10.581
  791    HE1  HIS 110           HE1      HIS 110   1.827  -1.148  -8.708
  792    HA   PRO 111           HA       PRO 111  -2.220   4.372 -14.907
  793   1HB   PRO 111          1HB       PRO 111  -0.667   6.586 -15.209
  794   2HB   PRO 111          2HB       PRO 111  -1.504   6.227 -13.664
  795   1HG   PRO 111          1HG       PRO 111   1.375   5.813 -14.376
  796   2HG   PRO 111          2HG       PRO 111   0.655   6.324 -12.814
  797   1HD   PRO 111          1HD       PRO 111   1.508   3.689 -13.543
  798   2HD   PRO 111          2HD       PRO 111   0.470   4.110 -12.147
  799    H    SER 112           H        SER 112  -2.300   4.516 -17.205
  800    HA   SER 112           HA       SER 112  -1.576   4.470 -19.274
  801   1HB   SER 112          1HB       SER 112   0.651   5.480 -18.159
  802   2HB   SER 112          2HB       SER 112   1.302   3.910 -18.584
  803    HG   SER 112           HG       SER 112   0.439   6.032 -20.263

  No H/Q in entry =         803
  Start of MODEL   14
    1    H1   VAL   1           H1       VAL   1   6.683  11.614  14.295
    2    H2   VAL   1           H2       VAL   1   8.136  11.262  15.006
    3    H3   VAL   1           H3       VAL   1   7.397  12.712  15.308
    4    HA   VAL   1           HA       VAL   1   8.627  13.569  13.789
    5    HB   VAL   1           HB       VAL   1  10.359  12.190  13.546
    6   1HG1  VAL   1          1HG1      VAL   1   8.326   9.955  13.503
    7   2HG1  VAL   1          2HG1      VAL   1  10.049   9.658  13.169
    8   3HG1  VAL   1          3HG1      VAL   1   9.550  10.334  14.738
    9   1HG2  VAL   1          1HG2      VAL   1   9.564  12.706  11.182
   10   2HG2  VAL   1          2HG2      VAL   1  10.671  11.324  11.358
   11   3HG2  VAL   1          3HG2      VAL   1   8.927  11.044  11.135
   12    H    ASP   2           H        ASP   2   7.902  14.721  12.045
   13    HA   ASP   2           HA       ASP   2   5.420  14.333  11.073
   14   1HB   ASP   2          1HB       ASP   2   7.327  16.235  10.757
   15   2HB   ASP   2          2HB       ASP   2   7.483  15.461   9.192
   16    H    VAL   3           H        VAL   3   5.340  14.279   8.289
   17    HA   VAL   3           HA       VAL   3   6.325  11.580   7.715
   18    HB   VAL   3           HB       VAL   3   4.517  12.434   5.739
   19   1HG1  VAL   3          1HG1      VAL   3   4.363  10.535   8.085
   20   2HG1  VAL   3          2HG1      VAL   3   3.008  10.735   6.949
   21   3HG1  VAL   3          3HG1      VAL   3   4.588  10.166   6.358
   22   1HG2  VAL   3          1HG2      VAL   3   3.594  13.207   8.525
   23   2HG2  VAL   3          2HG2      VAL   3   3.746  14.263   7.099
   24   3HG2  VAL   3          3HG2      VAL   3   2.507  12.985   7.134
   25    HA   PRO   4           HA       PRO   4   8.752  13.196   4.393
   26   1HB   PRO   4          1HB       PRO   4   8.792  11.150   2.625
   27   2HB   PRO   4          2HB       PRO   4   9.370  10.923   4.308
   28   1HG   PRO   4          1HG       PRO   4   6.775   9.964   3.204
   29   2HG   PRO   4          2HG       PRO   4   7.796   9.259   4.499
   30   1HD   PRO   4          1HD       PRO   4   5.464  10.965   4.773
   31   2HD   PRO   4          2HD       PRO   4   6.552  10.402   6.077
   32    H    ALA   5           H        ALA   5   8.561  14.551   2.570
   33    HA   ALA   5           HA       ALA   5   6.108  15.372   1.712
   34   1HB   ALA   5          3HB       ALA   5   7.367  16.811   0.511
   35   2HB   ALA   5          2HB       ALA   5   8.171  15.495  -0.376
   36   3HB   ALA   5          1HB       ALA   5   8.776  15.990   1.223
   37    H    ASP   6           H        ASP   6   5.468  15.243  -0.808
   38    HA   ASP   6           HA       ASP   6   4.829  12.494  -1.168
   39   1HB   ASP   6          1HB       ASP   6   4.269  14.647  -3.220
   40   2HB   ASP   6          2HB       ASP   6   3.292  13.253  -2.806
   41    H    GLY   7           H        GLY   7   4.976  11.699  -3.658
   42   1HA   GLY   7          2HA       GLY   7   7.365  12.684  -5.012
   43   2HA   GLY   7          1HA       GLY   7   6.176  11.553  -5.627
   44    H    ALA   8           H        ALA   8   6.304  10.078  -2.882
   45    HA   ALA   8           HA       ALA   8   8.983   8.974  -2.994
   46   1HB   ALA   8          1HB       ALA   8   7.059   9.431  -0.986
   47   2HB   ALA   8          2HB       ALA   8   7.125   7.662  -1.178
   48   3HB   ALA   8          3HB       ALA   8   8.609   8.574  -0.812
   49    H    LYS   9           H        LYS   9   8.627   8.183  -5.269
   50    HA   LYS   9           HA       LYS   9   6.695   6.384  -5.994
   51   1HB   LYS   9          1HB       LYS   9   7.817   6.568  -7.901
   52   2HB   LYS   9          2HB       LYS   9   9.094   7.427  -7.065
   53   1HG   LYS   9          1HG       LYS   9   9.997   5.091  -6.370
   54   2HG   LYS   9          2HG       LYS   9   8.884   4.427  -7.550
   55   1HD   LYS   9          1HD       LYS   9   9.985   6.200  -9.191
   56   2HD   LYS   9          2HD       LYS   9  11.285   6.218  -8.016
   57   1HE   LYS   9          1HE       LYS   9  11.243   3.609  -8.210
   58   2HE   LYS   9          2HE       LYS   9  10.278   3.857  -9.651
   59   1HZ   LYS   9          1HZ       LYS   9  12.052   5.257 -10.505
   60   2HZ   LYS   9          2HZ       LYS   9  12.956   4.968  -9.176
   61   3HZ   LYS   9          3HZ       LYS   9  12.587   3.746 -10.194
   62    H    ILE  10           H        ILE  10   6.358   4.173  -5.795
   63    HA   ILE  10           HA       ILE  10   8.183   2.845  -3.914
   64    HB   ILE  10           HB       ILE  10   5.232   2.368  -4.346
   65   1HG1  ILE  10          1HG1      ILE  10   6.683   3.812  -2.109
   66   2HG1  ILE  10          2HG1      ILE  10   5.624   4.539  -3.301
   67   1HG2  ILE  10          1HG2      ILE  10   7.237   0.700  -3.242
   68   2HG2  ILE  10          2HG2      ILE  10   6.263   1.318  -1.887
   69   3HG2  ILE  10          3HG2      ILE  10   5.473   0.466  -3.235
   70   1HD1  ILE  10          1HD1      ILE  10   3.812   2.869  -2.461
   71   2HD1  ILE  10          2HD1      ILE  10   4.894   2.609  -1.072
   72   3HD1  ILE  10          3HD1      ILE  10   4.235   4.231  -1.395
   73    H    ASP  11           H        ASP  11   9.458   1.350  -4.851
   74    HA   ASP  11           HA       ASP  11   8.269  -0.461  -6.703
   75   1HB   ASP  11          1HB       ASP  11   8.930   1.294  -8.268
   76   2HB   ASP  11          2HB       ASP  11  10.509   1.439  -7.522
   77    H    PHE  12           H        PHE  12   8.938  -1.612  -4.576
   78    HA   PHE  12           HA       PHE  12  11.746  -1.866  -4.089
   79   1HB   PHE  12          1HB       PHE  12   9.137  -3.126  -3.089
   80   2HB   PHE  12          2HB       PHE  12  10.682  -3.725  -2.516
   81    HD1  PHE  12           HD1      PHE  12  12.250  -2.060  -1.367
   82    HD2  PHE  12           HD2      PHE  12   8.149  -1.248  -2.096
   83    HE1  PHE  12           HE1      PHE  12  12.291  -0.272   0.394
   84    HE2  PHE  12           HE2      PHE  12   8.190   0.541  -0.336
   85    HZ   PHE  12           HZ       PHE  12  10.260   1.007   0.888
   86    H    ILE  13           H        ILE  13   9.599  -3.203  -6.371
   87    HA   ILE  13           HA       ILE  13  10.906  -5.796  -6.398
   88    HB   ILE  13           HB       ILE  13   8.483  -4.589  -7.648
   89   1HG1  ILE  13          1HG1      ILE  13   8.417  -7.379  -6.787
   90   2HG1  ILE  13          2HG1      ILE  13   8.984  -6.315  -5.515
   91   1HG2  ILE  13          1HG2      ILE  13  10.150  -6.781  -8.847
   92   2HG2  ILE  13          2HG2      ILE  13   8.377  -6.811  -9.003
   93   3HG2  ILE  13          3HG2      ILE  13   9.304  -5.430  -9.638
   94   1HD1  ILE  13          1HD1      ILE  13   6.527  -5.598  -7.152
   95   2HD1  ILE  13          2HD1      ILE  13   6.416  -6.679  -5.742
   96   3HD1  ILE  13          3HD1      ILE  13   6.997  -5.008  -5.539
   97    H    ALA  14           H        ALA  14  12.889  -5.884  -7.312
   98    HA   ALA  14           HA       ALA  14  14.128  -4.043  -8.808
   99   1HB   ALA  14          3HB       ALA  14  15.614  -5.794  -9.500
  100   2HB   ALA  14          1HB       ALA  14  15.000  -6.253  -7.894
  101   3HB   ALA  14          2HB       ALA  14  14.336  -7.025  -9.354
  102    H    GLY  15           H        GLY  15  11.843  -6.571 -10.002
  103   1HA   GLY  15          2HA       GLY  15  10.782  -5.041 -12.047
  104   2HA   GLY  15          1HA       GLY  15  10.758  -6.791 -11.956
  105    H    GLY  16           H        GLY  16  11.576  -4.327 -13.970
  106   1HA   GLY  16          2HA       GLY  16  13.203  -5.980 -15.631
  107   2HA   GLY  16          1HA       GLY  16  14.152  -4.726 -14.858
  108    H    GLU  17           H        GLU  17  13.486  -2.425 -15.144
  109    HA   GLU  17           HA       GLU  17  12.981  -0.738 -16.413
  110   1HB   GLU  17          1HB       GLU  17  14.136  -1.638 -18.272
  111   2HB   GLU  17          2HB       GLU  17  12.961  -2.915 -18.517
  112   1HG   GLU  17          1HG       GLU  17  11.259  -1.198 -19.204
  113   2HG   GLU  17          2HG       GLU  17  12.458   0.062 -18.992
  114    H    LYS  18           H        LYS  18  10.830  -3.216 -17.980
  115    HA   LYS  18           HA       LYS  18   8.606  -1.464 -17.848
  116   1HB   LYS  18          1HB       LYS  18   8.926  -4.376 -18.605
  117   2HB   LYS  18          2HB       LYS  18   7.382  -3.549 -18.647
  118   1HG   LYS  18          1HG       LYS  18   8.539  -1.757 -20.113
  119   2HG   LYS  18          2HG       LYS  18   9.888  -2.868 -20.243
  120   1HD   LYS  18          1HD       LYS  18   7.009  -3.512 -21.043
  121   2HD   LYS  18          2HD       LYS  18   8.287  -3.077 -22.160
  122   1HE   LYS  18          1HE       LYS  18   9.516  -5.128 -20.806
  123   2HE   LYS  18          2HE       LYS  18   7.845  -5.643 -20.688
  124   1HZ   LYS  18          1HZ       LYS  18   8.834  -4.736 -23.264
  125   2HZ   LYS  18          2HZ       LYS  18   9.255  -6.227 -22.749
  126   3HZ   LYS  18          3HZ       LYS  18   7.678  -5.840 -22.931
  127    H    ASN  19           H        ASN  19   9.207  -1.172 -15.366
  128    HA   ASN  19           HA       ASN  19   7.949  -3.268 -13.827
  129   1HB   ASN  19          1HB       ASN  19  10.135  -1.543 -13.358
  130   2HB   ASN  19          2HB       ASN  19   8.867  -0.874 -12.349
  131   2HD2  ASN  19          1HD2      ASN  19  11.301  -2.180 -11.551
  132   1HD2  ASN  19          2HD2      ASN  19  10.884  -3.565 -10.598
  133    H    LEU  20           H        LEU  20   6.922  -1.765 -11.653
  134    HA   LEU  20           HA       LEU  20   5.039   0.097 -12.911
  135   1HB   LEU  20          1HB       LEU  20   3.941  -1.519 -10.727
  136   2HB   LEU  20          2HB       LEU  20   3.216  -1.003 -12.236
  137    HG   LEU  20           HG       LEU  20   5.106  -3.347 -11.887
  138   1HD1  LEU  20          1HD1      LEU  20   2.349  -3.141 -11.350
  139   2HD1  LEU  20          2HD1      LEU  20   2.492  -4.021 -12.891
  140   3HD1  LEU  20          3HD1      LEU  20   3.342  -4.616 -11.445
  141   1HD2  LEU  20          1HD2      LEU  20   4.426  -1.838 -14.229
  142   2HD2  LEU  20          2HD2      LEU  20   5.479  -3.264 -14.070
  143   3HD2  LEU  20          3HD2      LEU  20   3.736  -3.473 -14.361
  144    H    THR  21           H        THR  21   5.378   2.062 -12.035
  145    HA   THR  21           HA       THR  21   6.389   2.155  -9.281
  146    HB   THR  21           HB       THR  21   6.271   4.549 -11.114
  147    HG1  THR  21           HG1      THR  21   7.281   3.242 -12.601
  148   1HG2  THR  21          1HG2      THR  21   8.390   3.326  -9.269
  149   2HG2  THR  21          2HG2      THR  21   8.618   4.812 -10.223
  150   3HG2  THR  21          3HG2      THR  21   7.405   4.768  -8.921
  151    H    VAL  22           H        VAL  22   5.256   3.008  -7.619
  152    HA   VAL  22           HA       VAL  22   2.668   4.203  -8.338
  153    HB   VAL  22           HB       VAL  22   3.427   2.159  -6.280
  154   1HG1  VAL  22          1HG1      VAL  22   1.468   4.369  -5.952
  155   2HG1  VAL  22          2HG1      VAL  22   0.901   2.740  -5.514
  156   3HG1  VAL  22          3HG1      VAL  22   2.348   3.418  -4.731
  157   1HG2  VAL  22          1HG2      VAL  22   1.739   2.313  -8.655
  158   2HG2  VAL  22          2HG2      VAL  22   2.350   0.890  -7.776
  159   3HG2  VAL  22          3HG2      VAL  22   0.853   1.691  -7.241
  160    H    VAL  23           H        VAL  23   2.304   6.229  -7.556
  161    HA   VAL  23           HA       VAL  23   4.377   7.325  -5.826
  162    HB   VAL  23           HB       VAL  23   2.248   8.509  -7.602
  163   1HG1  VAL  23          1HG1      VAL  23   2.333   9.862  -5.563
  164   2HG1  VAL  23          2HG1      VAL  23   4.103   9.992  -5.708
  165   3HG1  VAL  23          3HG1      VAL  23   3.052  10.739  -6.935
  166   1HG2  VAL  23          1HG2      VAL  23   4.569   7.610  -8.414
  167   2HG2  VAL  23          2HG2      VAL  23   3.975   9.184  -8.996
  168   3HG2  VAL  23          3HG2      VAL  23   5.193   9.116  -7.700
  169    H    PHE  24           H        PHE  24   4.034   7.847  -3.708
  170    HA   PHE  24           HA       PHE  24   1.266   7.565  -2.768
  171   1HB   PHE  24          1HB       PHE  24   2.922   5.800  -2.021
  172   2HB   PHE  24          2HB       PHE  24   3.993   7.056  -1.432
  173    HD1  PHE  24           HD1      PHE  24   0.595   5.633  -0.934
  174    HD2  PHE  24           HD2      PHE  24   3.807   7.824   0.766
  175    HE1  PHE  24           HE1      PHE  24  -0.526   5.536   1.310
  176    HE2  PHE  24           HE2      PHE  24   2.686   7.727   3.010
  177    HZ   PHE  24           HZ       PHE  24   0.533   6.584   3.255
  178    H    ASN  25           H        ASN  25   0.501   9.054  -1.182
  179    HA   ASN  25           HA       ASN  25   2.320  11.236  -0.597
  180   1HB   ASN  25          1HB       ASN  25  -0.573  11.862  -1.250
  181   2HB   ASN  25          2HB       ASN  25   0.823  12.917  -1.347
  182   2HD2  ASN  25          1HD2      ASN  25   0.754  13.558  -3.397
  183   1HD2  ASN  25          2HD2      ASN  25   0.856  12.533  -4.789
  184    H    HIS  26           H        HIS  26   2.384  11.125   1.573
  185    HA   HIS  26           HA       HIS  26   0.540   9.862   3.293
  186   1HB   HIS  26          1HB       HIS  26   2.801  11.854   3.581
  187   2HB   HIS  26          2HB       HIS  26   1.724  11.544   5.010
  188    HD1  HIS  26           HD1      HIS  26   4.379  10.033   2.909
  189    HD2  HIS  26           HD2      HIS  26   2.009   8.976   6.186
  190    HE1  HIS  26           HE1      HIS  26   5.437   7.903   3.904
  191    H    SER  27           H        SER  27   0.543  13.168   1.915
  192    HA   SER  27           HA       SER  27  -1.122  14.413   3.657
  193   1HB   SER  27          1HB       SER  27  -1.942  15.636   1.478
  194   2HB   SER  27          2HB       SER  27  -0.268  15.789   1.973
  195    HG   SER  27           HG       SER  27   0.071  15.161  -0.068
  196    H    THR  28           H        THR  28  -1.806  11.846   1.318
  197    HA   THR  28           HA       THR  28  -4.689  12.194   1.726
  198    HB   THR  28           HB       THR  28  -4.882  10.783  -0.268
  199    HG1  THR  28           HG1      THR  28  -2.966   9.691  -0.987
  200   1HG2  THR  28          1HG2      THR  28  -3.190  13.167  -0.283
  201   2HG2  THR  28          2HG2      THR  28  -2.612  11.999  -1.496
  202   3HG2  THR  28          3HG2      THR  28  -4.293  12.581  -1.551
  203    H    HIS  29           H        HIS  29  -2.612  11.185   3.654
  204    HA   HIS  29           HA       HIS  29  -4.223   8.956   4.663
  205   1HB   HIS  29          1HB       HIS  29  -1.285   8.510   3.895
  206   2HB   HIS  29          2HB       HIS  29  -2.372   7.337   4.756
  207    HD1  HIS  29           HD1      HIS  29  -1.167   8.263   1.502
  208    HD2  HIS  29           HD2      HIS  29  -4.628   6.462   3.003
  209    HE1  HIS  29           HE1      HIS  29  -2.277   7.066  -0.492
  210    H    LYS  30           H        LYS  30  -3.770  11.629   5.580
  211    HA   LYS  30           HA       LYS  30  -1.917  11.231   7.810
  212   1HB   LYS  30          1HB       LYS  30  -2.465  13.798   8.042
  213   2HB   LYS  30          2HB       LYS  30  -1.281  13.221   6.887
  214   1HG   LYS  30          1HG       LYS  30  -2.755  13.484   5.041
  215   2HG   LYS  30          2HG       LYS  30  -4.186  13.471   6.053
  216   1HD   LYS  30          1HD       LYS  30  -3.307  15.674   7.088
  217   2HD   LYS  30          2HD       LYS  30  -2.127  15.704   5.793
  218   1HE   LYS  30          1HE       LYS  30  -4.219  17.036   5.292
  219   2HE   LYS  30          2HE       LYS  30  -3.863  15.809   4.092
  220   1HZ   LYS  30          1HZ       LYS  30  -5.624  15.203   6.342
  221   2HZ   LYS  30          2HZ       LYS  30  -6.204  15.957   5.014
  222   3HZ   LYS  30          3HZ       LYS  30  -5.542  14.470   4.885
  223    H    ASP  31           H        ASP  31  -5.280  11.314   6.891
  224    HA   ASP  31           HA       ASP  31  -6.114  11.909   9.575
  225   1HB   ASP  31          1HB       ASP  31  -8.279  12.110   8.689
  226   2HB   ASP  31          2HB       ASP  31  -7.289  12.593   7.327
  227    H    VAL  32           H        VAL  32  -4.701   9.305   8.208
  228    HA   VAL  32           HA       VAL  32  -6.537   7.366   9.436
  229    HB   VAL  32           HB       VAL  32  -4.598   7.154   7.135
  230   1HG1  VAL  32          1HG1      VAL  32  -5.473   5.080   9.016
  231   2HG1  VAL  32          2HG1      VAL  32  -5.842   4.690   7.319
  232   3HG1  VAL  32          3HG1      VAL  32  -4.169   5.055   7.805
  233   1HG2  VAL  32          1HG2      VAL  32  -7.150   7.941   7.041
  234   2HG2  VAL  32          2HG2      VAL  32  -6.418   6.936   5.768
  235   3HG2  VAL  32          3HG2      VAL  32  -7.420   6.182   7.031
  236    H    LYS  33           H        LYS  33  -5.764   6.015  11.046
  237    HA   LYS  33           HA       LYS  33  -3.642   6.863  12.572
  238   1HB   LYS  33          1HB       LYS  33  -4.719   4.034  12.455
  239   2HB   LYS  33          2HB       LYS  33  -3.922   4.813  13.807
  240   1HG   LYS  33          1HG       LYS  33  -6.031   5.339  14.507
  241   2HG   LYS  33          2HG       LYS  33  -5.962   6.608  13.301
  242   1HD   LYS  33          1HD       LYS  33  -7.487   5.571  11.953
  243   2HD   LYS  33          2HD       LYS  33  -6.711   4.009  12.125
  244   1HE   LYS  33          1HE       LYS  33  -7.741   4.022  14.553
  245   2HE   LYS  33          2HE       LYS  33  -8.784   5.289  13.939
  246   1HZ   LYS  33          1HZ       LYS  33  -9.203   3.654  12.050
  247   2HZ   LYS  33          2HZ       LYS  33  -8.601   2.516  13.055
  248   3HZ   LYS  33          3HZ       LYS  33  -9.925   3.368  13.487
  249    H    CYS  34           H        CYS  34  -1.477   6.813  12.318
  250    HA   CYS  34           HA       CYS  34  -0.326   5.706  10.043
  251   1HB   CYS  34          1HB       CYS  34   1.315   6.202  12.491
  252   2HB   CYS  34          2HB       CYS  34   1.682   6.531  10.810
  253    H    ASP  35           H        ASP  35  -1.407   4.319  13.031
  254    HA   ASP  35           HA       ASP  35   0.497   2.231  13.125
  255   1HB   ASP  35          1HB       ASP  35  -1.016   1.272  14.844
  256   2HB   ASP  35          2HB       ASP  35  -0.706   2.970  15.145
  257    H    ASP  36           H        ASP  36  -2.227   2.987  11.167
  258    HA   ASP  36           HA       ASP  36  -3.236   0.366  10.869
  259   1HB   ASP  36          1HB       ASP  36  -4.757   1.326   9.360
  260   2HB   ASP  36          2HB       ASP  36  -4.369   2.686  10.394
  261    H    CYS  37           H        CYS  37  -0.643   2.339   9.501
  262    HA   CYS  37           HA       CYS  37  -0.243   0.333   7.403
  263   1HB   CYS  37          1HB       CYS  37   0.298   3.291   7.483
  264   2HB   CYS  37          2HB       CYS  37   1.291   2.262   6.469
  265    H    HIS  38           H        HIS  38   1.133   2.323   9.972
  266    HA   HIS  38           HA       HIS  38   3.660   0.720   9.917
  267   1HB   HIS  38          1HB       HIS  38   3.024   3.418  11.235
  268   2HB   HIS  38          2HB       HIS  38   4.634   2.578  11.214
  269    HD1  HIS  38           HD1      HIS  38   5.370   2.073   8.562
  270    HD2  HIS  38           HD2      HIS  38   2.948   5.382   9.372
  271    HE1  HIS  38           HE1      HIS  38   5.663   3.683   6.571
  272    H    HIS  39           H        HIS  39   2.646  -1.080  10.866
  273    HA   HIS  39           HA       HIS  39   1.612  -0.814  13.633
  274   1HB   HIS  39          1HB       HIS  39   0.836  -3.054  13.388
  275   2HB   HIS  39          2HB       HIS  39   0.481  -2.181  11.835
  276    HD1  HIS  39           HD1      HIS  39   2.403  -4.992  13.288
  277    HD2  HIS  39           HD2      HIS  39   1.919  -3.139   9.572
  278    HE1  HIS  39           HE1      HIS  39   3.430  -6.592  11.547
  279    H    GLN  40           H        GLN  40   4.439  -0.137  13.082
  280    HA   GLN  40           HA       GLN  40   5.814  -2.393  14.260
  281   1HB   GLN  40          1HB       GLN  40   6.553  -0.149  12.529
  282   2HB   GLN  40          2HB       GLN  40   7.642  -0.268  13.897
  283   1HG   GLN  40          1HG       GLN  40   8.432  -1.646  11.979
  284   2HG   GLN  40          2HG       GLN  40   8.107  -2.634  13.389
  285   2HE2  GLN  40          1HE2      GLN  40   7.069  -4.425  13.015
  286   1HE2  GLN  40          2HE2      GLN  40   5.915  -4.737  11.761
  287    HA   PRO  41           HA       PRO  41   6.288  -0.814  18.318
  288   1HB   PRO  41          1HB       PRO  41   9.270  -0.770  18.084
  289   2HB   PRO  41          2HB       PRO  41   8.196  -1.770  19.116
  290   1HG   PRO  41          1HG       PRO  41   9.597  -2.466  17.091
  291   2HG   PRO  41          2HG       PRO  41   8.205  -3.542  17.441
  292   1HD   PRO  41          1HD       PRO  41   8.608  -1.580  15.236
  293   2HD   PRO  41          2HD       PRO  41   7.371  -2.864  15.387
  294    H    GLY  42           H        GLY  42   6.351   1.223  19.369
  295   1HA   GLY  42          2HA       GLY  42   6.684   3.432  19.622
  296   2HA   GLY  42          1HA       GLY  42   6.553   3.531  17.877
  297    H    ASP  43           H        ASP  43   9.085   1.750  19.727
  298    HA   ASP  43           HA       ASP  43  10.990   3.682  19.791
  299   1HB   ASP  43          1HB       ASP  43  10.823   0.951  20.363
  300   2HB   ASP  43          2HB       ASP  43  12.032   0.994  19.095
  301    H    LYS  44           H        LYS  44   9.842   1.610  17.124
  302    HA   LYS  44           HA       LYS  44  11.870   2.822  15.375
  303   1HB   LYS  44          1HB       LYS  44  10.486   0.146  15.028
  304   2HB   LYS  44          2HB       LYS  44  11.711   0.831  13.979
  305   1HG   LYS  44          1HG       LYS  44  12.276   0.460  16.939
  306   2HG   LYS  44          2HG       LYS  44  12.425  -0.896  15.839
  307   1HD   LYS  44          1HD       LYS  44  13.931   1.754  15.687
  308   2HD   LYS  44          2HD       LYS  44  14.610   0.181  16.057
  309   1HE   LYS  44          1HE       LYS  44  13.638  -0.513  13.691
  310   2HE   LYS  44          2HE       LYS  44  13.585   1.214  13.396
  311   1HZ   LYS  44          1HZ       LYS  44  16.041   0.674  14.508
  312   2HZ   LYS  44          2HZ       LYS  44  15.802  -0.477  13.374
  313   3HZ   LYS  44          3HZ       LYS  44  15.724   1.102  12.964
  314    H    GLN  45           H        GLN  45   8.783   1.061  14.720
  315    HA   GLN  45           HA       GLN  45   7.203   1.577  13.278
  316   1HB   GLN  45          1HB       GLN  45   6.795   2.851  15.606
  317   2HB   GLN  45          2HB       GLN  45   6.900   4.272  14.587
  318   1HG   GLN  45          1HG       GLN  45   5.226   2.228  13.323
  319   2HG   GLN  45          2HG       GLN  45   4.647   2.580  14.939
  320   2HE2  GLN  45          1HE2      GLN  45   2.948   3.834  14.666
  321   1HE2  GLN  45          2HE2      GLN  45   2.889   5.320  13.779
  322    H    TYR  46           H        TYR  46   9.928   2.444  12.512
  323    HA   TYR  46           HA       TYR  46   9.127   4.325  10.376
  324   1HB   TYR  46          1HB       TYR  46  11.575   4.700  12.133
  325   2HB   TYR  46          2HB       TYR  46  11.119   5.695  10.741
  326    HD1  TYR  46           HD1      TYR  46   8.242   6.103  11.134
  327    HD2  TYR  46           HD2      TYR  46  11.436   6.078  14.006
  328    HE1  TYR  46           HE1      TYR  46   6.916   7.578  12.622
  329    HE2  TYR  46           HE2      TYR  46  10.109   7.553  15.495
  330    HH   TYR  46           HH       TYR  46   6.752   8.410  14.817
  331    H    ALA  47           H        ALA  47   9.952   1.315  10.856
  332    HA   ALA  47           HA       ALA  47  12.322   1.311   9.144
  333   1HB   ALA  47          1HB       ALA  47  11.450  -0.227  11.378
  334   2HB   ALA  47          2HB       ALA  47  11.441  -1.308   9.964
  335   3HB   ALA  47          3HB       ALA  47  12.929  -0.440  10.411
  336    H    GLY  48           H        GLY  48  12.339   0.203   7.127
  337   1HA   GLY  48          2HA       GLY  48  11.484  -0.612   5.213
  338   2HA   GLY  48          1HA       GLY  48  10.149   0.485   5.503
  339    H    CYS  49           H        CYS  49   8.810  -1.196   4.408
  340    HA   CYS  49           HA       CYS  49   7.560  -2.832   6.355
  341   1HB   CYS  49          1HB       CYS  49   7.115  -2.789   3.364
  342   2HB   CYS  49          2HB       CYS  49   6.042  -3.461   4.576
  343    H    THR  50           H        THR  50   9.557  -3.365   3.370
  344    HA   THR  50           HA       THR  50   9.552  -6.168   3.519
  345    HB   THR  50           HB       THR  50  11.444  -5.908   1.897
  346    HG1  THR  50           HG1      THR  50  12.266  -3.722   1.677
  347   1HG2  THR  50          1HG2      THR  50   8.844  -4.733   1.590
  348   2HG2  THR  50          2HG2      THR  50  10.015  -3.563   0.934
  349   3HG2  THR  50          3HG2      THR  50   9.964  -5.225   0.297
  350    H    THR  51           H        THR  51  12.318  -3.953   4.306
  351    HA   THR  51           HA       THR  51  14.163  -4.469   5.517
  352    HB   THR  51           HB       THR  51  12.224  -5.115   7.750
  353    HG1  THR  51           HG1      THR  51  11.162  -3.206   7.309
  354   1HG2  THR  51          1HG2      THR  51  14.836  -3.804   7.405
  355   2HG2  THR  51          2HG2      THR  51  13.672  -2.732   8.220
  356   3HG2  THR  51          3HG2      THR  51  14.039  -4.333   8.906
  357    H    ASP  52           H        ASP  52  13.711  -6.344   8.009
  358    HA   ASP  52           HA       ASP  52  14.251  -8.757   6.464
  359   1HB   ASP  52          1HB       ASP  52  15.577  -7.491   8.811
  360   2HB   ASP  52          2HB       ASP  52  15.326  -9.217   8.981
  361    H    GLY  53           H        GLY  53  13.112 -10.662   7.117
  362   1HA   GLY  53          2HA       GLY  53  11.945 -11.125   9.592
  363   2HA   GLY  53          1HA       GLY  53  11.491 -11.884   8.079
  364    H    CYS  54           H        CYS  54  10.447  -9.837   6.535
  365    HA   CYS  54           HA       CYS  54   8.026  -9.281   8.010
  366   1HB   CYS  54          1HB       CYS  54   9.411  -6.989   6.598
  367   2HB   CYS  54          2HB       CYS  54   7.976  -6.930   7.603
  368    H    HIS  55           H        HIS  55   7.904  -7.216   5.579
  369    HA   HIS  55           HA       HIS  55   6.791  -9.209   3.666
  370   1HB   HIS  55          1HB       HIS  55   6.507  -6.164   3.594
  371   2HB   HIS  55          2HB       HIS  55   5.477  -7.424   2.788
  372    HD1  HIS  55           HD1      HIS  55   3.837  -8.698   4.300
  373    HD2  HIS  55           HD2      HIS  55   5.751  -5.498   6.190
  374    HE1  HIS  55           HE1      HIS  55   2.486  -8.216   6.441
  375    H    ASN  56           H        ASN  56   9.335  -9.656   3.438
  376    HA   ASN  56           HA       ASN  56  10.519  -7.762   1.623
  377   1HB   ASN  56          1HB       ASN  56  11.763  -9.030   3.535
  378   2HB   ASN  56          2HB       ASN  56  11.668 -10.450   2.513
  379   2HD2  ASN  56          1HD2      ASN  56  14.067  -9.404   3.322
  380   1HD2  ASN  56          2HD2      ASN  56  14.934  -8.742   1.977
  381    H    ILE  57           H        ILE  57   9.292 -11.155   1.811
  382    HA   ILE  57           HA       ILE  57  10.086 -12.182  -0.561
  383    HB   ILE  57           HB       ILE  57   7.488 -12.472   0.936
  384   1HG1  ILE  57          1HG1      ILE  57  10.171 -13.514   1.249
  385   2HG1  ILE  57          2HG1      ILE  57   8.794 -13.621   2.328
  386   1HG2  ILE  57          1HG2      ILE  57   8.468 -14.063  -1.449
  387   2HG2  ILE  57          2HG2      ILE  57   7.126 -14.541  -0.382
  388   3HG2  ILE  57          3HG2      ILE  57   7.005 -13.054  -1.354
  389   1HD1  ILE  57          1HD1      ILE  57   9.191 -15.412  -0.113
  390   2HD1  ILE  57          2HD1      ILE  57   9.619 -15.867   1.553
  391   3HD1  ILE  57          3HD1      ILE  57   7.918 -15.569   1.122
  392    H    LEU  58           H        LEU  58  10.053 -11.388  -2.588
  393    HA   LEU  58           HA       LEU  58   7.846  -9.586  -3.269
  394   1HB   LEU  58          1HB       LEU  58  10.469  -9.939  -4.716
  395   2HB   LEU  58          2HB       LEU  58   9.273  -8.681  -4.957
  396    HG   LEU  58           HG       LEU  58  11.074  -9.058  -2.553
  397   1HD1  LEU  58          1HD1      LEU  58  11.544  -7.792  -4.970
  398   2HD1  LEU  58          2HD1      LEU  58  11.063  -6.463  -3.888
  399   3HD1  LEU  58          3HD1      LEU  58  12.422  -7.524  -3.444
  400   1HD2  LEU  58          1HD2      LEU  58   8.778  -8.355  -1.886
  401   2HD2  LEU  58          2HD2      LEU  58  10.040  -7.155  -1.520
  402   3HD2  LEU  58          3HD2      LEU  58   8.963  -6.917  -2.918
  403    H    ASP  59           H        ASP  59   7.206 -12.310  -3.094
  404    HA   ASP  59           HA       ASP  59   7.021 -12.967  -5.929
  405   1HB   ASP  59          1HB       ASP  59   7.825 -14.576  -3.590
  406   2HB   ASP  59          2HB       ASP  59   6.522 -15.333  -4.485
  407    H    LYS  60           H        LYS  60   4.936 -14.141  -6.494
  408    HA   LYS  60           HA       LYS  60   2.796 -13.317  -4.666
  409   1HB   LYS  60          1HB       LYS  60   1.465 -12.854  -6.478
  410   2HB   LYS  60          2HB       LYS  60   3.040 -12.433  -7.120
  411   1HG   LYS  60          1HG       LYS  60   3.185 -14.835  -8.033
  412   2HG   LYS  60          2HG       LYS  60   1.502 -15.027  -7.584
  413   1HD   LYS  60          1HD       LYS  60   0.840 -13.170  -9.060
  414   2HD   LYS  60          2HD       LYS  60   2.516 -12.803  -9.415
  415   1HE   LYS  60          1HE       LYS  60   2.807 -14.999 -10.519
  416   2HE   LYS  60          2HE       LYS  60   1.180 -15.472 -10.072
  417   1HZ   LYS  60          1HZ       LYS  60   0.760 -13.160 -11.321
  418   2HZ   LYS  60          2HZ       LYS  60   2.042 -13.725 -12.161
  419   3HZ   LYS  60          3HZ       LYS  60   0.681 -14.621 -12.047
  420    H    ALA  61           H        ALA  61   4.163 -15.999  -6.619
  421    HA   ALA  61           HA       ALA  61   2.112 -17.833  -6.129
  422   1HB   ALA  61          2HB       ALA  61   5.051 -18.500  -6.479
  423   2HB   ALA  61          1HB       ALA  61   4.047 -17.904  -7.823
  424   3HB   ALA  61          3HB       ALA  61   3.632 -19.433  -7.012
  425    H    ASP  62           H        ASP  62   4.401 -16.357  -4.015
  426    HA   ASP  62           HA       ASP  62   4.299 -18.608  -2.199
  427   1HB   ASP  62          1HB       ASP  62   5.929 -16.062  -2.381
  428   2HB   ASP  62          2HB       ASP  62   5.803 -16.880  -0.837
  429    H    LYS  63           H        LYS  63   2.499 -18.586  -0.839
  430    HA   LYS  63           HA       LYS  63   0.936 -16.288  -0.445
  431   1HB   LYS  63          1HB       LYS  63   0.978 -18.846   1.184
  432   2HB   LYS  63          2HB       LYS  63  -0.323 -17.675   1.104
  433   1HG   LYS  63          1HG       LYS  63   0.414 -18.470  -1.596
  434   2HG   LYS  63          2HG       LYS  63   0.133 -19.905  -0.630
  435   1HD   LYS  63          1HD       LYS  63  -1.828 -17.581  -0.568
  436   2HD   LYS  63          2HD       LYS  63  -1.908 -18.787  -1.838
  437   1HE   LYS  63          1HE       LYS  63  -1.651 -20.070   0.785
  438   2HE   LYS  63          2HE       LYS  63  -3.019 -18.976   0.767
  439   1HZ   LYS  63          1HZ       LYS  63  -2.709 -20.671  -1.545
  440   2HZ   LYS  63          2HZ       LYS  63  -3.148 -21.414  -0.159
  441   3HZ   LYS  63          3HZ       LYS  63  -4.068 -20.210  -0.766
  442    H    SER  64           H        SER  64   0.797 -17.149   2.616
  443    HA   SER  64           HA       SER  64   1.584 -16.440   4.513
  444   1HB   SER  64          1HB       SER  64   3.779 -17.386   3.744
  445   2HB   SER  64          2HB       SER  64   4.195 -15.828   3.058
  446    HG   SER  64           HG       SER  64   3.436 -15.997   5.822
  447    H    VAL  65           H        VAL  65   2.022 -14.388   5.734
  448    HA   VAL  65           HA       VAL  65   1.165 -12.118   4.134
  449    HB   VAL  65           HB       VAL  65   1.378 -12.606   7.109
  450   1HG1  VAL  65          1HG1      VAL  65   0.998 -10.119   5.569
  451   2HG1  VAL  65          2HG1      VAL  65  -0.229 -10.403   6.826
  452   3HG1  VAL  65          3HG1      VAL  65   1.497 -10.360   7.260
  453   1HG2  VAL  65          1HG2      VAL  65  -0.761 -12.932   5.084
  454   2HG2  VAL  65          2HG2      VAL  65  -0.518 -13.752   6.645
  455   3HG2  VAL  65          3HG2      VAL  65  -1.248 -12.129   6.596
  456    H    ASN  66           H        ASN  66   3.848 -13.132   3.691
  457    HA   ASN  66           HA       ASN  66   5.351 -10.928   4.869
  458   1HB   ASN  66          1HB       ASN  66   6.342 -13.662   3.901
  459   2HB   ASN  66          2HB       ASN  66   7.393 -12.381   4.472
  460   2HD2  ASN  66          1HD2      ASN  66   7.274 -11.690   6.643
  461   1HD2  ASN  66          2HD2      ASN  66   6.675 -12.719   7.900
  462    H    SER  67           H        SER  67   3.658 -11.607   2.216
  463    HA   SER  67           HA       SER  67   5.755 -11.105   0.287
  464   1HB   SER  67          1HB       SER  67   3.002 -12.245   0.212
  465   2HB   SER  67          2HB       SER  67   3.429 -11.265  -1.177
  466    HG   SER  67           HG       SER  67   3.979 -13.711  -1.107
  467    H    TRP  68           H        TRP  68   6.268  -8.949   0.073
  468    HA   TRP  68           HA       TRP  68   4.849  -6.812   0.916
  469   1HB   TRP  68          1HB       TRP  68   7.098  -6.568   0.216
  470   2HB   TRP  68          2HB       TRP  68   6.740  -7.108  -1.412
  471    HD1  TRP  68           HD1      TRP  68   6.747  -5.091  -3.058
  472    HE1  TRP  68           HE1      TRP  68   6.122  -2.528  -3.065
  473    HE3  TRP  68           HE3      TRP  68   5.221  -4.912   1.789
  474    HZ2  TRP  68           HZ2      TRP  68   5.083  -0.752  -1.086
  475    HZ3  TRP  68           HZ3      TRP  68   4.416  -2.725   2.674
  476    HH2  TRP  68           HH2      TRP  68   4.332  -0.691   1.321
  477    H    TYR  69           H        TYR  69   4.377  -8.834  -1.904
  478    HA   TYR  69           HA       TYR  69   2.314  -7.025  -3.005
  479   1HB   TYR  69          1HB       TYR  69   4.002  -8.026  -4.508
  480   2HB   TYR  69          2HB       TYR  69   3.463  -9.644  -4.027
  481    HD1  TYR  69           HD1      TYR  69   2.486  -6.543  -5.820
  482    HD2  TYR  69           HD2      TYR  69   1.496 -10.633  -4.960
  483    HE1  TYR  69           HE1      TYR  69   0.775  -6.506  -7.615
  484    HE2  TYR  69           HE2      TYR  69  -0.215 -10.597  -6.756
  485    HH   TYR  69           HH       TYR  69  -0.889  -9.382  -8.712
  486    H    LYS  70           H        LYS  70   1.386  -7.803  -0.569
  487    HA   LYS  70           HA       LYS  70  -0.697  -9.672  -1.345
  488   1HB   LYS  70          1HB       LYS  70   1.236 -10.936  -0.234
  489   2HB   LYS  70          2HB       LYS  70   0.807 -10.096   1.242
  490   1HG   LYS  70          1HG       LYS  70  -0.545 -11.959   1.501
  491   2HG   LYS  70          2HG       LYS  70  -1.663 -10.947   0.607
  492   1HD   LYS  70          1HD       LYS  70  -1.518 -12.229  -1.304
  493   2HD   LYS  70          2HD       LYS  70   0.195 -12.536  -1.099
  494   1HE   LYS  70          1HE       LYS  70  -1.948 -13.842   0.641
  495   2HE   LYS  70          2HE       LYS  70  -1.328 -14.578  -0.824
  496   1HZ   LYS  70          1HZ       LYS  70   0.899 -14.395   0.168
  497   2HZ   LYS  70          2HZ       LYS  70   0.229 -13.869   1.562
  498   3HZ   LYS  70          3HZ       LYS  70  -0.100 -15.372   1.015
  499    H    VAL  71           H        VAL  71   0.640  -7.770   1.452
  500    HA   VAL  71           HA       VAL  71  -1.966  -7.143   2.388
  501    HB   VAL  71           HB       VAL  71  -0.894  -6.121   4.133
  502   1HG1  VAL  71          1HG1      VAL  71  -0.039  -8.532   3.585
  503   2HG1  VAL  71          2HG1      VAL  71   1.504  -7.710   3.247
  504   3HG1  VAL  71          3HG1      VAL  71   0.760  -7.580   4.859
  505   1HG2  VAL  71          1HG2      VAL  71   1.225  -5.324   2.135
  506   2HG2  VAL  71          2HG2      VAL  71   0.190  -4.289   3.148
  507   3HG2  VAL  71          3HG2      VAL  71   1.514  -5.221   3.888
  508    H    VAL  72           H        VAL  72  -0.332  -6.186  -0.367
  509    HA   VAL  72           HA       VAL  72  -1.253  -3.426  -0.238
  510    HB   VAL  72           HB       VAL  72   0.559  -5.004  -2.044
  511   1HG1  VAL  72          1HG1      VAL  72  -0.809  -2.378  -2.629
  512   2HG1  VAL  72          2HG1      VAL  72   0.788  -2.761  -3.315
  513   3HG1  VAL  72          3HG1      VAL  72  -0.610  -3.802  -3.679
  514   1HG2  VAL  72          1HG2      VAL  72   1.097  -3.611   0.213
  515   2HG2  VAL  72          2HG2      VAL  72   2.251  -3.801  -1.129
  516   3HG2  VAL  72          3HG2      VAL  72   1.276  -2.318  -0.999
  517    H    HIS  73           H        HIS  73  -1.668  -6.458  -2.010
  518    HA   HIS  73           HA       HIS  73  -4.099  -5.327  -3.345
  519   1HB   HIS  73          1HB       HIS  73  -2.406  -7.783  -4.068
  520   2HB   HIS  73          2HB       HIS  73  -3.807  -7.109  -5.007
  521    HD1  HIS  73           HD1      HIS  73  -0.193  -6.710  -4.380
  522    HD2  HIS  73           HD2      HIS  73  -3.218  -4.715  -6.462
  523    HE1  HIS  73           HE1      HIS  73   0.994  -5.058  -5.963
  524    H    ASP  74           H        ASP  74  -3.549  -6.615  -0.486
  525    HA   ASP  74           HA       ASP  74  -5.104  -8.970  -0.577
  526   1HB   ASP  74          1HB       ASP  74  -3.670  -7.344   1.430
  527   2HB   ASP  74          2HB       ASP  74  -5.162  -8.008   2.065
  528    H    ALA  75           H        ALA  75  -6.904  -7.701  -1.857
  529    HA   ALA  75           HA       ALA  75  -8.408  -5.699  -0.673
  530   1HB   ALA  75          2HB       ALA  75  -9.502  -7.872  -2.487
  531   2HB   ALA  75          1HB       ALA  75  -8.411  -6.597  -3.081
  532   3HB   ALA  75          3HB       ALA  75  -9.992  -6.164  -2.387
  533    H    LYS  76           H        LYS  76  -8.259  -9.187  -0.086
  534    HA   LYS  76           HA       LYS  76 -10.748  -9.559   1.074
  535   1HB   LYS  76          1HB       LYS  76  -9.652 -11.528   0.653
  536   2HB   LYS  76          2HB       LYS  76  -8.095 -10.920   1.178
  537   1HG   LYS  76          1HG       LYS  76  -8.950 -10.921   3.564
  538   2HG   LYS  76          2HG       LYS  76 -10.442 -11.644   2.995
  539   1HD   LYS  76          1HD       LYS  76  -9.301 -13.651   2.254
  540   2HD   LYS  76          2HD       LYS  76  -7.725 -12.908   2.443
  541   1HE   LYS  76          1HE       LYS  76  -9.342 -12.867   4.931
  542   2HE   LYS  76          2HE       LYS  76  -9.003 -14.486   4.352
  543   1HZ   LYS  76          1HZ       LYS  76  -6.987 -12.395   4.800
  544   2HZ   LYS  76          2HZ       LYS  76  -7.262 -13.677   5.774
  545   3HZ   LYS  76          3HZ       LYS  76  -6.674 -13.907   4.268
  546    H    GLY  77           H        GLY  77  -7.724  -8.129   2.343
  547   1HA   GLY  77          2HA       GLY  77  -9.158  -6.792   4.419
  548   2HA   GLY  77          1HA       GLY  77  -7.431  -6.769   4.124
  549    H    GLY  78           H        GLY  78  -6.551  -7.232   6.126
  550   1HA   GLY  78          2HA       GLY  78  -5.775  -9.234   7.309
  551   2HA   GLY  78          1HA       GLY  78  -7.446  -9.755   7.390
  552    H    ALA  79           H        ALA  79  -5.290  -8.939   9.484
  553    HA   ALA  79           HA       ALA  79  -7.037  -7.912  11.377
  554   1HB   ALA  79          3HB       ALA  79  -5.238  -8.112  12.800
  555   2HB   ALA  79          2HB       ALA  79  -4.093  -7.416  11.627
  556   3HB   ALA  79          1HB       ALA  79  -4.634  -9.102  11.450
  557    H    LYS  80           H        LYS  80  -4.748  -6.314   9.115
  558    HA   LYS  80           HA       LYS  80  -5.949  -3.764   9.936
  559   1HB   LYS  80          1HB       LYS  80  -3.040  -4.343   9.314
  560   2HB   LYS  80          2HB       LYS  80  -3.714  -2.728   9.410
  561   1HG   LYS  80          1HG       LYS  80  -3.378  -2.790  11.651
  562   2HG   LYS  80          2HG       LYS  80  -4.636  -4.005  11.758
  563   1HD   LYS  80          1HD       LYS  80  -3.140  -5.714  12.076
  564   2HD   LYS  80          2HD       LYS  80  -2.032  -5.104  10.864
  565   1HE   LYS  80          1HE       LYS  80  -1.018  -3.558  12.402
  566   2HE   LYS  80          2HE       LYS  80  -2.330  -3.711  13.553
  567   1HZ   LYS  80          1HZ       LYS  80  -0.617  -5.975  12.818
  568   2HZ   LYS  80          2HZ       LYS  80  -0.280  -4.983  14.072
  569   3HZ   LYS  80          3HZ       LYS  80  -1.648  -5.875  14.080
  570    HA   PRO  81           HA       PRO  81  -7.252  -3.157   5.835
  571   1HB   PRO  81          1HB       PRO  81  -6.579  -0.449   5.550
  572   2HB   PRO  81          2HB       PRO  81  -8.020  -1.072   6.418
  573   1HG   PRO  81          1HG       PRO  81  -5.353  -0.173   7.775
  574   2HG   PRO  81          2HG       PRO  81  -7.092   0.132   8.094
  575   1HD   PRO  81          1HD       PRO  81  -5.674  -1.874   9.343
  576   2HD   PRO  81          2HD       PRO  81  -7.400  -2.067   8.911
  577    H    THR  82           H        THR  82  -6.400  -2.815   3.617
  578    HA   THR  82           HA       THR  82  -3.466  -3.002   3.599
  579    HB   THR  82           HB       THR  82  -4.044  -4.023   1.255
  580    HG1  THR  82           HG1      THR  82  -6.241  -4.210   0.936
  581   1HG2  THR  82          1HG2      THR  82  -4.547  -5.224   3.964
  582   2HG2  THR  82          2HG2      THR  82  -5.240  -6.094   2.574
  583   3HG2  THR  82          3HG2      THR  82  -3.487  -5.798   2.655
  584    H    CYS  83           H        CYS  83  -5.096  -2.388   0.600
  585    HA   CYS  83           HA       CYS  83  -4.632   0.464   0.834
  586   1HB   CYS  83          1HB       CYS  83  -3.308  -1.197  -1.320
  587   2HB   CYS  83          2HB       CYS  83  -3.302   0.552  -1.217
  588    H    ILE  84           H        ILE  84  -5.574  -2.389  -1.194
  589    HA   ILE  84           HA       ILE  84  -7.376  -0.756  -2.745
  590    HB   ILE  84           HB       ILE  84  -5.995  -3.215  -3.064
  591   1HG1  ILE  84          1HG1      ILE  84  -7.877  -1.864  -5.011
  592   2HG1  ILE  84          2HG1      ILE  84  -6.282  -1.240  -4.636
  593   1HG2  ILE  84          1HG2      ILE  84  -8.104  -4.238  -2.185
  594   2HG2  ILE  84          2HG2      ILE  84  -8.962  -3.528  -3.573
  595   3HG2  ILE  84          3HG2      ILE  84  -7.674  -4.727  -3.842
  596   1HD1  ILE  84          1HD1      ILE  84  -6.012  -4.061  -5.163
  597   2HD1  ILE  84          2HD1      ILE  84  -6.975  -3.335  -6.472
  598   3HD1  ILE  84          3HD1      ILE  84  -5.357  -2.695  -6.098
  599    H    SER  85           H        SER  85  -7.391  -2.362   0.281
  600    HA   SER  85           HA       SER  85 -10.100  -3.184   0.186
  601   1HB   SER  85          1HB       SER  85  -9.788  -3.588   2.629
  602   2HB   SER  85          2HB       SER  85  -8.528  -4.329   1.662
  603    HG   SER  85           HG       SER  85  -8.306  -2.428   3.637
  604    H    CYS  86           H        CYS  86  -8.520  -0.865   2.498
  605    HA   CYS  86           HA       CYS  86 -10.680   0.435   3.352
  606   1HB   CYS  86          1HB       CYS  86  -8.452   0.902   4.202
  607   2HB   CYS  86          2HB       CYS  86  -7.981   1.654   2.691
  608    H    HIS  87           H        HIS  87  -8.877   0.981   0.349
  609    HA   HIS  87           HA       HIS  87 -10.276   3.254  -0.626
  610   1HB   HIS  87          1HB       HIS  87  -8.575   1.037  -1.799
  611   2HB   HIS  87          2HB       HIS  87  -9.486   2.135  -2.921
  612    HD1  HIS  87           HD1      HIS  87  -7.757   3.537  -3.851
  613    HD2  HIS  87           HD2      HIS  87  -7.346   3.231   0.298
  614    HE1  HIS  87           HE1      HIS  87  -5.868   5.164  -3.193
  615    H    LYS  88           H        LYS  88 -10.830  -0.295  -1.351
  616    HA   LYS  88           HA       LYS  88 -13.074   0.128  -2.935
  617   1HB   LYS  88          1HB       LYS  88 -11.897  -1.962  -2.982
  618   2HB   LYS  88          2HB       LYS  88 -12.172  -2.237  -1.274
  619   1HG   LYS  88          1HG       LYS  88 -14.610  -1.798  -2.976
  620   2HG   LYS  88          2HG       LYS  88 -13.750  -3.307  -3.210
  621   1HD   LYS  88          1HD       LYS  88 -13.927  -2.885  -0.375
  622   2HD   LYS  88          2HD       LYS  88 -15.514  -2.549  -1.037
  623   1HE   LYS  88          1HE       LYS  88 -15.182  -4.791  -2.381
  624   2HE   LYS  88          2HE       LYS  88 -13.905  -5.119  -1.227
  625   1HZ   LYS  88          1HZ       LYS  88 -15.813  -4.416   0.415
  626   2HZ   LYS  88          2HZ       LYS  88 -16.753  -4.977  -0.797
  627   3HZ   LYS  88          3HZ       LYS  88 -15.641  -5.954  -0.105
  628    H    ASP  89           H        ASP  89 -12.668  -0.169   0.620
  629    HA   ASP  89           HA       ASP  89 -15.413  -0.317   1.132
  630   1HB   ASP  89          1HB       ASP  89 -13.501   0.934   3.103
  631   2HB   ASP  89          2HB       ASP  89 -14.802  -0.201   3.403
  632    H    LYS  90           H        LYS  90 -13.321   2.204   0.050
  633    HA   LYS  90           HA       LYS  90 -15.125   4.267   1.103
  634   1HB   LYS  90          1HB       LYS  90 -12.206   4.124   0.724
  635   2HB   LYS  90          2HB       LYS  90 -12.930   5.599   0.116
  636   1HG   LYS  90          1HG       LYS  90 -13.181   6.388   2.226
  637   2HG   LYS  90          2HG       LYS  90 -14.158   5.000   2.660
  638   1HD   LYS  90          1HD       LYS  90 -11.529   3.979   2.585
  639   2HD   LYS  90          2HD       LYS  90 -11.341   5.569   3.298
  640   1HE   LYS  90          1HE       LYS  90 -11.810   3.688   4.961
  641   2HE   LYS  90          2HE       LYS  90 -12.880   5.069   5.086
  642   1HZ   LYS  90          1HZ       LYS  90 -13.823   3.127   3.244
  643   2HZ   LYS  90          2HZ       LYS  90 -13.651   2.515   4.748
  644   3HZ   LYS  90          3HZ       LYS  90 -14.595   3.825   4.502
  645    H    ALA  91           H        ALA  91 -16.414   3.007  -0.792
  646    HA   ALA  91           HA       ALA  91 -16.510   4.901  -2.908
  647   1HB   ALA  91          1HB       ALA  91 -15.396   2.124  -3.433
  648   2HB   ALA  91          3HB       ALA  91 -14.662   3.694  -3.837
  649   3HB   ALA  91          2HB       ALA  91 -16.111   3.139  -4.708
  650    H    GLY  92           H        GLY  92 -17.277   1.435  -2.107
  651   1HA   GLY  92          2HA       GLY  92 -20.128   2.133  -2.252
  652   2HA   GLY  92          1HA       GLY  92 -19.422   0.747  -1.446
  653    H    ASP  93           H        ASP  93 -20.798   1.977  -4.393
  654    HA   ASP  93           HA       ASP  93 -19.864  -0.331  -5.869
  655   1HB   ASP  93          1HB       ASP  93 -21.968  -1.089  -4.889
  656   2HB   ASP  93          2HB       ASP  93 -22.775   0.402  -5.333
  657    H    ASP  94           H        ASP  94 -18.985   2.291  -6.252
  658    HA   ASP  94           HA       ASP  94 -20.684   3.381  -8.332
  659   1HB   ASP  94          1HB       ASP  94 -19.738   4.810  -6.416
  660   2HB   ASP  94          2HB       ASP  94 -18.149   4.570  -7.117
  661    H    LYS  95           H        LYS  95 -19.122   4.524 -10.158
  662    HA   LYS  95           HA       LYS  95 -17.274   2.407 -11.000
  663   1HB   LYS  95          1HB       LYS  95 -19.039   4.312 -12.539
  664   2HB   LYS  95          2HB       LYS  95 -17.680   3.510 -13.299
  665   1HG   LYS  95          1HG       LYS  95 -18.604   1.288 -12.593
  666   2HG   LYS  95          2HG       LYS  95 -19.968   2.096 -11.847
  667   1HD   LYS  95          1HD       LYS  95 -20.049   3.201 -14.372
  668   2HD   LYS  95          2HD       LYS  95 -19.396   1.616 -14.737
  669   1HE   LYS  95          1HE       LYS  95 -21.361   0.539 -14.218
  670   2HE   LYS  95          2HE       LYS  95 -21.670   1.554 -12.823
  671   1HZ   LYS  95          1HZ       LYS  95 -22.057   3.310 -14.701
  672   2HZ   LYS  95          2HZ       LYS  95 -22.409   1.982 -15.584
  673   3HZ   LYS  95          3HZ       LYS  95 -23.249   2.302 -14.220
  674    H    GLU  96           H        GLU  96 -17.736   5.989 -11.449
  675    HA   GLU  96           HA       GLU  96 -15.098   6.463 -12.041
  676   1HB   GLU  96          1HB       GLU  96 -16.796   8.117 -12.526
  677   2HB   GLU  96          2HB       GLU  96 -17.254   8.244 -10.839
  678   1HG   GLU  96          1HG       GLU  96 -15.857  10.166 -11.425
  679   2HG   GLU  96          2HG       GLU  96 -14.980   9.152 -10.297
  680    H    LEU  97           H        LEU  97 -16.744   6.002  -8.932
  681    HA   LEU  97           HA       LEU  97 -14.422   6.956  -7.474
  682   1HB   LEU  97          1HB       LEU  97 -17.162   6.949  -7.002
  683   2HB   LEU  97          2HB       LEU  97 -16.549   5.706  -5.929
  684    HG   LEU  97           HG       LEU  97 -15.395   8.502  -6.029
  685   1HD1  LEU  97          1HD1      LEU  97 -17.926   8.241  -5.404
  686   2HD1  LEU  97          2HD1      LEU  97 -17.276   7.624  -3.866
  687   3HD1  LEU  97          3HD1      LEU  97 -16.852   9.262  -4.418
  688   1HD2  LEU  97          1HD2      LEU  97 -14.667   6.070  -4.664
  689   2HD2  LEU  97          2HD2      LEU  97 -13.839   7.645  -4.702
  690   3HD2  LEU  97          3HD2      LEU  97 -15.101   7.332  -3.487
  691    H    LYS  98           H        LYS  98 -15.220   4.214  -9.174
  692    HA   LYS  98           HA       LYS  98 -13.855   2.483  -7.233
  693   1HB   LYS  98          1HB       LYS  98 -16.072   1.676  -7.674
  694   2HB   LYS  98          2HB       LYS  98 -15.864   1.843  -9.405
  695   1HG   LYS  98          1HG       LYS  98 -13.959   0.156  -9.271
  696   2HG   LYS  98          2HG       LYS  98 -14.352  -0.083  -7.580
  697   1HD   LYS  98          1HD       LYS  98 -16.354  -0.479  -9.853
  698   2HD   LYS  98          2HD       LYS  98 -15.403  -1.778  -9.161
  699   1HE   LYS  98          1HE       LYS  98 -16.383  -1.145  -6.874
  700   2HE   LYS  98          2HE       LYS  98 -17.464  -0.052  -7.715
  701   1HZ   LYS  98          1HZ       LYS  98 -17.896  -2.204  -9.107
  702   2HZ   LYS  98          2HZ       LYS  98 -17.428  -2.942  -7.727
  703   3HZ   LYS  98          3HZ       LYS  98 -18.699  -1.917  -7.714
  704    H    LYS  99           H        LYS  99 -13.712   4.113 -10.311
  705    HA   LYS  99           HA       LYS  99 -11.728   2.342 -11.401
  706   1HB   LYS  99          1HB       LYS  99 -12.977   4.942 -12.293
  707   2HB   LYS  99          2HB       LYS  99 -11.611   4.242 -13.138
  708   1HG   LYS  99          1HG       LYS  99 -12.828   2.363 -13.853
  709   2HG   LYS  99          2HG       LYS  99 -13.958   2.449 -12.516
  710   1HD   LYS  99          1HD       LYS  99 -15.037   3.128 -14.649
  711   2HD   LYS  99          2HD       LYS  99 -15.034   4.445 -13.493
  712   1HE   LYS  99          1HE       LYS  99 -14.327   5.458 -15.530
  713   2HE   LYS  99          2HE       LYS  99 -12.843   5.245 -14.622
  714   1HZ   LYS  99          1HZ       LYS  99 -13.620   3.040 -16.305
  715   2HZ   LYS  99          2HZ       LYS  99 -13.147   4.397 -17.081
  716   3HZ   LYS  99          3HZ       LYS  99 -12.138   3.666 -16.025
  717    H    LYS 100           H        LYS 100 -11.887   5.241  -9.387
  718    HA   LYS 100           HA       LYS 100  -8.955   5.386  -9.528
  719   1HB   LYS 100          1HB       LYS 100 -10.739   7.384 -10.140
  720   2HB   LYS 100          2HB       LYS 100 -10.398   7.723  -8.455
  721   1HG   LYS 100          1HG       LYS 100  -7.957   7.706  -8.918
  722   2HG   LYS 100          2HG       LYS 100  -8.257   7.283 -10.592
  723   1HD   LYS 100          1HD       LYS 100  -7.823   9.761 -10.167
  724   2HD   LYS 100          2HD       LYS 100  -9.290   9.409 -11.059
  725   1HE   LYS 100          1HE       LYS 100  -9.578   9.504  -8.078
  726   2HE   LYS 100          2HE       LYS 100  -9.211  11.032  -8.854
  727   1HZ   LYS 100          1HZ       LYS 100 -11.250   9.447 -10.123
  728   2HZ   LYS 100          2HZ       LYS 100 -11.642  10.060  -8.661
  729   3HZ   LYS 100          3HZ       LYS 100 -11.189  11.059  -9.870
  730    H    LEU 101           H        LEU 101  -8.793   3.641  -7.970
  731    HA   LEU 101           HA       LEU 101  -8.403   4.453  -5.404
  732   1HB   LEU 101          1HB       LEU 101 -11.150   4.374  -5.864
  733   2HB   LEU 101          2HB       LEU 101 -10.813   2.879  -5.013
  734    HG   LEU 101           HG       LEU 101 -10.051   3.978  -3.093
  735   1HD1  LEU 101          1HD1      LEU 101  -9.308   6.115  -4.968
  736   2HD1  LEU 101          2HD1      LEU 101  -9.950   6.695  -3.412
  737   3HD1  LEU 101          3HD1      LEU 101  -8.548   5.599  -3.443
  738   1HD2  LEU 101          1HD2      LEU 101 -12.475   5.137  -4.344
  739   2HD2  LEU 101          2HD2      LEU 101 -12.268   4.284  -2.796
  740   3HD2  LEU 101          3HD2      LEU 101 -11.822   6.002  -2.932
  741    H    THR 102           H        THR 102  -9.764   1.774  -7.409
  742    HA   THR 102           HA       THR 102  -7.675   0.053  -6.248
  743    HB   THR 102           HB       THR 102  -9.349  -1.798  -6.359
  744    HG1  THR 102           HG1      THR 102 -11.234  -1.337  -7.454
  745   1HG2  THR 102          1HG2      THR 102  -9.377   0.217  -4.450
  746   2HG2  THR 102          2HG2      THR 102 -11.050   0.273  -5.055
  747   3HG2  THR 102          3HG2      THR 102 -10.397  -1.239  -4.380
  748    H    GLY 103           H        GLY 103  -9.716   0.928  -9.062
  749   1HA   GLY 103          2HA       GLY 103  -9.112   0.920 -11.254
  750   2HA   GLY 103          1HA       GLY 103  -9.054  -0.808 -10.973
  751    H    CYS 104           H        CYS 104  -7.384  -0.872 -12.689
  752    HA   CYS 104           HA       CYS 104  -4.771  -0.245 -11.542
  753   1HB   CYS 104          1HB       CYS 104  -4.902  -1.984 -13.919
  754   2HB   CYS 104          2HB       CYS 104  -3.931  -2.119 -12.466
  755    H    LYS 105           H        LYS 105  -6.001  -0.755 -14.923
  756    HA   LYS 105           HA       LYS 105  -4.377   1.388 -15.872
  757   1HB   LYS 105          1HB       LYS 105  -4.624  -0.507 -17.283
  758   2HB   LYS 105          2HB       LYS 105  -6.372  -0.484 -17.156
  759   1HG   LYS 105          1HG       LYS 105  -6.129   1.963 -18.177
  760   2HG   LYS 105          2HG       LYS 105  -4.561   1.385 -18.705
  761   1HD   LYS 105          1HD       LYS 105  -7.170  -0.093 -19.279
  762   2HD   LYS 105          2HD       LYS 105  -6.459   1.064 -20.386
  763   1HE   LYS 105          1HE       LYS 105  -4.529  -0.301 -20.768
  764   2HE   LYS 105          2HE       LYS 105  -4.819  -1.271 -19.338
  765   1HZ   LYS 105          1HZ       LYS 105  -6.933  -1.273 -21.288
  766   2HZ   LYS 105          2HZ       LYS 105  -5.548  -2.001 -21.756
  767   3HZ   LYS 105          3HZ       LYS 105  -6.322  -2.508 -20.411
  768    H    GLY 106           H        GLY 106  -4.987   3.345 -14.944
  769   1HA   GLY 106          2HA       GLY 106  -7.685   4.274 -15.711
  770   2HA   GLY 106          1HA       GLY 106  -6.257   5.281 -15.577
  771    H    SER 107           H        SER 107  -5.259   3.954 -13.089
  772    HA   SER 107           HA       SER 107  -7.165   5.221 -11.298
  773   1HB   SER 107          1HB       SER 107  -7.609   3.280 -10.238
  774   2HB   SER 107          2HB       SER 107  -6.636   2.423 -11.417
  775    HG   SER 107           HG       SER 107  -4.954   2.319 -10.042
  776    H    ALA 108           H        ALA 108  -6.097   5.783  -9.123
  777    HA   ALA 108           HA       ALA 108  -3.864   7.310  -9.491
  778   1HB   ALA 108          3HB       ALA 108  -3.931   7.637  -7.167
  779   2HB   ALA 108          1HB       ALA 108  -5.600   7.147  -7.546
  780   3HB   ALA 108          2HB       ALA 108  -4.463   5.968  -6.849
  781    H    CYS 109           H        CYS 109  -4.133   3.829  -9.136
  782    HA   CYS 109           HA       CYS 109  -1.226   3.694  -8.801
  783   1HB   CYS 109          1HB       CYS 109  -3.323   1.601  -8.134
  784   2HB   CYS 109          2HB       CYS 109  -1.591   1.376  -7.989
  785    H    HIS 110           H        HIS 110  -0.077   2.730 -10.380
  786    HA   HIS 110           HA       HIS 110   0.490   1.940 -12.454
  787   1HB   HIS 110          1HB       HIS 110  -2.062   0.264 -12.291
  788   2HB   HIS 110          2HB       HIS 110  -0.491  -0.123 -13.116
  789    HD1  HIS 110           HD1      HIS 110   1.371   0.444 -10.740
  790    HD2  HIS 110           HD2      HIS 110  -2.137  -1.814 -10.490
  791    HE1  HIS 110           HE1      HIS 110   1.665  -1.119  -8.711
  792    HA   PRO 111           HA       PRO 111  -2.494   4.645 -14.653
  793   1HB   PRO 111          1HB       PRO 111  -1.064   6.949 -14.732
  794   2HB   PRO 111          2HB       PRO 111  -1.934   6.444 -13.247
  795   1HG   PRO 111          1HG       PRO 111   0.779   6.126 -14.129
  796   2HG   PRO 111          2HG       PRO 111   0.593   6.563 -12.399
  797   1HD   PRO 111          1HD       PRO 111   1.205   4.012 -13.220
  798   2HD   PRO 111          2HD       PRO 111   0.150   4.312 -11.805
  799    H    SER 112           H        SER 112  -2.477   4.753 -16.931
  800    HA   SER 112           HA       SER 112  -1.755   4.524 -18.963
  801   1HB   SER 112          1HB       SER 112   0.099   6.292 -17.770
  802   2HB   SER 112          2HB       SER 112   1.091   5.150 -18.655
  803    HG   SER 112           HG       SER 112   0.412   7.002 -19.952

  No H/Q in entry =         803
  Start of MODEL   15
    1    H1   VAL   1           H1       VAL   1   5.077  11.844  14.772
    2    H2   VAL   1           H2       VAL   1   6.286  10.824  14.284
    3    H3   VAL   1           H3       VAL   1   6.423  11.646  15.715
    4    HA   VAL   1           HA       VAL   1   6.499  13.708  14.616
    5    HB   VAL   1           HB       VAL   1   8.653  13.211  14.890
    6   1HG1  VAL   1          1HG1      VAL   1   8.099  10.494  13.655
    7   2HG1  VAL   1          2HG1      VAL   1   9.687  11.010  14.272
    8   3HG1  VAL   1          3HG1      VAL   1   8.300  10.881  15.381
    9   1HG2  VAL   1          1HG2      VAL   1   8.642  14.130  12.620
   10   2HG2  VAL   1          2HG2      VAL   1   9.953  12.942  12.816
   11   3HG2  VAL   1          3HG2      VAL   1   8.467  12.493  11.944
   12    H    ASP   2           H        ASP   2   5.775  14.914  12.923
   13    HA   ASP   2           HA       ASP   2   4.130  14.036  11.071
   14   1HB   ASP   2          1HB       ASP   2   6.271  16.163  10.589
   15   2HB   ASP   2          2HB       ASP   2   4.784  16.012   9.675
   16    H    VAL   3           H        VAL   3   4.424  13.778   8.595
   17    HA   VAL   3           HA       VAL   3   6.900  12.285   8.085
   18    HB   VAL   3           HB       VAL   3   4.659  11.915   6.240
   19   1HG1  VAL   3          1HG1      VAL   3   6.790  10.351   7.563
   20   2HG1  VAL   3          2HG1      VAL   3   5.274   9.464   7.273
   21   3HG1  VAL   3          3HG1      VAL   3   6.129  10.233   5.915
   22   1HG2  VAL   3          1HG2      VAL   3   4.281  11.436   9.191
   23   2HG2  VAL   3          2HG2      VAL   3   3.150  12.127   8.004
   24   3HG2  VAL   3          3HG2      VAL   3   3.496  10.381   7.991
   25    HA   PRO   4           HA       PRO   4   7.161  16.135   5.582
   26   1HB   PRO   4          1HB       PRO   4   9.725  16.754   6.220
   27   2HB   PRO   4          2HB       PRO   4   8.378  17.070   7.362
   28   1HG   PRO   4          1HG       PRO   4  10.154  14.617   7.192
   29   2HG   PRO   4          2HG       PRO   4   9.954  15.563   8.704
   30   1HD   PRO   4          1HD       PRO   4   8.456  13.374   8.324
   31   2HD   PRO   4          2HD       PRO   4   7.647  14.867   8.890
   32    H    ALA   5           H        ALA   5   7.146  15.217   3.486
   33    HA   ALA   5           HA       ALA   5   9.375  14.888   2.060
   34   1HB   ALA   5          1HB       ALA   5   8.881  12.482   3.763
   35   2HB   ALA   5          3HB       ALA   5  10.408  13.141   3.129
   36   3HB   ALA   5          2HB       ALA   5   9.341  12.190   2.068
   37    H    ASP   6           H        ASP   6   8.980  13.532  -0.014
   38    HA   ASP   6           HA       ASP   6   6.316  12.701  -0.444
   39   1HB   ASP   6          1HB       ASP   6   7.074  14.939  -2.294
   40   2HB   ASP   6          2HB       ASP   6   5.482  14.421  -1.778
   41    H    GLY   7           H        GLY   7   6.110  12.397  -3.081
   42   1HA   GLY   7          2HA       GLY   7   8.439  12.229  -4.633
   43   2HA   GLY   7          1HA       GLY   7   6.917  11.414  -4.934
   44    H    ALA   8           H        ALA   8   6.887   9.968  -2.319
   45    HA   ALA   8           HA       ALA   8   9.278   8.418  -2.204
   46   1HB   ALA   8          1HB       ALA   8   6.909   8.866  -0.644
   47   2HB   ALA   8          2HB       ALA   8   7.076   7.116  -0.922
   48   3HB   ALA   8          3HB       ALA   8   8.408   8.029  -0.172
   49    H    LYS   9           H        LYS   9   9.369   7.857  -4.550
   50    HA   LYS   9           HA       LYS   9   7.386   6.367  -5.800
   51   1HB   LYS   9          1HB       LYS   9   8.930   7.241  -7.260
   52   2HB   LYS   9          2HB       LYS   9  10.299   6.871  -6.231
   53   1HG   LYS   9          1HG       LYS   9   8.799   4.479  -7.182
   54   2HG   LYS   9          2HG       LYS   9   9.563   5.405  -8.458
   55   1HD   LYS   9          1HD       LYS   9  11.664   5.368  -6.806
   56   2HD   LYS   9          2HD       LYS   9  10.847   3.976  -6.124
   57   1HE   LYS   9          1HE       LYS   9  10.670   3.096  -8.574
   58   2HE   LYS   9          2HE       LYS   9  11.835   4.341  -8.981
   59   1HZ   LYS   9          1HZ       LYS   9  12.361   2.505  -6.773
   60   2HZ   LYS   9          2HZ       LYS   9  12.677   2.058  -8.311
   61   3HZ   LYS   9          3HZ       LYS   9  13.428   3.358  -7.668
   62    H    ILE  10           H        ILE  10   6.529   4.457  -5.201
   63    HA   ILE  10           HA       ILE  10   8.174   2.688  -3.577
   64    HB   ILE  10           HB       ILE  10   5.227   2.661  -4.238
   65   1HG1  ILE  10          1HG1      ILE  10   6.713   3.522  -1.738
   66   2HG1  ILE  10          2HG1      ILE  10   5.863   4.571  -2.855
   67   1HG2  ILE  10          1HG2      ILE  10   6.201   0.403  -3.816
   68   2HG2  ILE  10          2HG2      ILE  10   6.714   0.974  -2.210
   69   3HG2  ILE  10          3HG2      ILE  10   4.984   0.908  -2.620
   70   1HD1  ILE  10          1HD1      ILE  10   3.832   2.876  -2.333
   71   2HD1  ILE  10          2HD1      ILE  10   4.755   2.653  -0.827
   72   3HD1  ILE  10          3HD1      ILE  10   4.182   4.274  -1.289
   73    H    ASP  11           H        ASP  11   9.509   1.390  -4.735
   74    HA   ASP  11           HA       ASP  11   8.244  -0.257  -6.720
   75   1HB   ASP  11          1HB       ASP  11   9.156   1.687  -8.002
   76   2HB   ASP  11          2HB       ASP  11  10.739   1.408  -7.305
   77    H    PHE  12           H        PHE  12   8.734  -1.620  -4.670
   78    HA   PHE  12           HA       PHE  12  11.533  -2.154  -4.208
   79   1HB   PHE  12          1HB       PHE  12   8.838  -3.156  -3.127
   80   2HB   PHE  12          2HB       PHE  12  10.353  -3.835  -2.567
   81    HD1  PHE  12           HD1      PHE  12  12.064  -2.193  -1.547
   82    HD2  PHE  12           HD2      PHE  12   7.966  -1.246  -2.111
   83    HE1  PHE  12           HE1      PHE  12  12.251  -0.366   0.164
   84    HE2  PHE  12           HE2      PHE  12   8.153   0.581  -0.400
   85    HZ   PHE  12           HZ       PHE  12  10.293   0.999   0.717
   86    H    ILE  13           H        ILE  13   9.128  -3.207  -6.393
   87    HA   ILE  13           HA       ILE  13   9.929  -5.964  -6.444
   88    HB   ILE  13           HB       ILE  13   7.766  -4.385  -7.388
   89   1HG1  ILE  13          1HG1      ILE  13   6.960  -6.826  -7.964
   90   2HG1  ILE  13          2HG1      ILE  13   8.419  -7.303  -7.118
   91   1HG2  ILE  13          1HG2      ILE  13   9.244  -5.873  -9.568
   92   2HG2  ILE  13          2HG2      ILE  13   7.521  -5.436  -9.665
   93   3HG2  ILE  13          3HG2      ILE  13   8.756  -4.161  -9.536
   94   1HD1  ILE  13          1HD1      ILE  13   7.653  -5.728  -5.210
   95   2HD1  ILE  13          2HD1      ILE  13   6.079  -5.688  -6.040
   96   3HD1  ILE  13          3HD1      ILE  13   6.726  -7.232  -5.435
   97    H    ALA  14           H        ALA  14  11.774  -6.685  -7.347
   98    HA   ALA  14           HA       ALA  14  13.389  -4.949  -8.900
   99   1HB   ALA  14          2HB       ALA  14  14.844  -6.963  -9.060
  100   2HB   ALA  14          1HB       ALA  14  13.550  -7.934  -8.319
  101   3HB   ALA  14          3HB       ALA  14  14.329  -6.631  -7.389
  102    H    GLY  15           H        GLY  15  11.298  -4.599 -10.368
  103   1HA   GLY  15          2HA       GLY  15   9.999  -5.573 -12.144
  104   2HA   GLY  15          1HA       GLY  15  11.358  -6.607 -12.538
  105    H    GLY  16           H        GLY  16  12.879  -3.806 -11.692
  106   1HA   GLY  16          2HA       GLY  16  13.947  -3.094 -14.030
  107   2HA   GLY  16          1HA       GLY  16  13.562  -1.929 -12.778
  108    H    GLU  17           H        GLU  17  13.045  -2.777 -16.020
  109    HA   GLU  17           HA       GLU  17  10.968  -0.791 -16.182
  110   1HB   GLU  17          1HB       GLU  17  13.127  -1.002 -17.677
  111   2HB   GLU  17          2HB       GLU  17  12.208  -2.208 -18.555
  112   1HG   GLU  17          1HG       GLU  17  10.413  -0.583 -19.014
  113   2HG   GLU  17          2HG       GLU  17  11.193   0.620 -18.006
  114    H    LYS  18           H        LYS  18   9.079  -1.189 -17.728
  115    HA   LYS  18           HA       LYS  18   7.487  -2.486 -18.639
  116   1HB   LYS  18          1HB       LYS  18   9.478  -4.287 -18.711
  117   2HB   LYS  18          2HB       LYS  18   8.474  -5.060 -17.501
  118   1HG   LYS  18          1HG       LYS  18   6.489  -4.733 -19.116
  119   2HG   LYS  18          2HG       LYS  18   7.661  -4.260 -20.330
  120   1HD   LYS  18          1HD       LYS  18   8.860  -6.476 -19.929
  121   2HD   LYS  18          2HD       LYS  18   7.539  -6.942 -18.876
  122   1HE   LYS  18          1HE       LYS  18   7.143  -6.099 -21.785
  123   2HE   LYS  18          2HE       LYS  18   7.343  -7.767 -21.287
  124   1HZ   LYS  18          1HZ       LYS  18   5.416  -6.622 -19.664
  125   2HZ   LYS  18          2HZ       LYS  18   5.041  -6.226 -21.203
  126   3HZ   LYS  18          3HZ       LYS  18   5.218  -7.794 -20.784
  127    H    ASN  19           H        ASN  19   8.521  -2.222 -15.394
  128    HA   ASN  19           HA       ASN  19   6.186  -3.473 -14.312
  129   1HB   ASN  19          1HB       ASN  19   7.145  -2.934 -12.147
  130   2HB   ASN  19          2HB       ASN  19   8.477  -3.439 -13.166
  131   2HD2  ASN  19          1HD2      ASN  19   8.137  -1.582 -10.794
  132   1HD2  ASN  19          2HD2      ASN  19   8.950  -0.118 -11.236
  133    H    LEU  20           H        LEU  20   5.777  -1.522 -12.130
  134    HA   LEU  20           HA       LEU  20   5.079   0.947 -13.486
  135   1HB   LEU  20          1HB       LEU  20   2.779   0.449 -12.072
  136   2HB   LEU  20          2HB       LEU  20   2.978   0.368 -13.812
  137    HG   LEU  20           HG       LEU  20   3.624  -2.097 -13.461
  138   1HD1  LEU  20          1HD1      LEU  20   3.407  -1.355 -10.759
  139   2HD1  LEU  20          2HD1      LEU  20   2.005  -2.399 -11.094
  140   3HD1  LEU  20          3HD1      LEU  20   3.652  -2.986 -11.429
  141   1HD2  LEU  20          1HD2      LEU  20   1.349  -0.972 -14.212
  142   2HD2  LEU  20          2HD2      LEU  20   1.481  -2.725 -13.935
  143   3HD2  LEU  20          3HD2      LEU  20   0.771  -1.677 -12.684
  144    H    THR  21           H        THR  21   5.290   2.711 -12.149
  145    HA   THR  21           HA       THR  21   6.129   2.092  -9.411
  146    HB   THR  21           HB       THR  21   6.374   4.807 -10.723
  147    HG1  THR  21           HG1      THR  21   7.871   2.330 -11.223
  148   1HG2  THR  21          1HG2      THR  21   7.750   3.177  -8.633
  149   2HG2  THR  21          2HG2      THR  21   8.843   4.031  -9.748
  150   3HG2  THR  21          3HG2      THR  21   7.648   4.946  -8.799
  151    H    VAL  22           H        VAL  22   5.381   3.404  -7.616
  152    HA   VAL  22           HA       VAL  22   2.787   4.659  -8.140
  153    HB   VAL  22           HB       VAL  22   3.456   2.485  -6.168
  154   1HG1  VAL  22          1HG1      VAL  22   1.350   4.628  -5.963
  155   2HG1  VAL  22          2HG1      VAL  22   1.043   3.000  -5.314
  156   3HG1  VAL  22          3HG1      VAL  22   2.412   3.958  -4.702
  157   1HG2  VAL  22          1HG2      VAL  22   2.564   1.896  -8.429
  158   2HG2  VAL  22          2HG2      VAL  22   1.516   1.382  -7.085
  159   3HG2  VAL  22          3HG2      VAL  22   1.093   2.822  -8.043
  160    H    VAL  23           H        VAL  23   2.689   6.682  -7.301
  161    HA   VAL  23           HA       VAL  23   4.841   7.447  -5.489
  162    HB   VAL  23           HB       VAL  23   2.916   8.952  -7.255
  163   1HG1  VAL  23          1HG1      VAL  23   4.818  10.074  -5.172
  164   2HG1  VAL  23          2HG1      VAL  23   4.061  11.034  -6.466
  165   3HG1  VAL  23          3HG1      VAL  23   3.048  10.252  -5.229
  166   1HG2  VAL  23          1HG2      VAL  23   5.899   8.479  -7.232
  167   2HG2  VAL  23          2HG2      VAL  23   4.725   8.186  -8.537
  168   3HG2  VAL  23          3HG2      VAL  23   5.181   9.852  -8.108
  169    H    PHE  24           H        PHE  24   4.507   7.936  -3.359
  170    HA   PHE  24           HA       PHE  24   1.712   7.833  -2.473
  171   1HB   PHE  24          1HB       PHE  24   3.236   6.017  -1.653
  172   2HB   PHE  24          2HB       PHE  24   4.415   7.208  -1.142
  173    HD1  PHE  24           HD1      PHE  24   3.601   8.920   0.654
  174    HD2  PHE  24           HD2      PHE  24   1.691   5.211  -0.120
  175    HE1  PHE  24           HE1      PHE  24   2.546   8.989   2.930
  176    HE2  PHE  24           HE2      PHE  24   0.635   5.280   2.156
  177    HZ   PHE  24           HZ       PHE  24   1.076   7.168   3.654
  178    H    ASN  25           H        ASN  25   1.008   9.319  -0.822
  179    HA   ASN  25           HA       ASN  25   2.872  11.468  -0.274
  180   1HB   ASN  25          1HB       ASN  25   0.008  12.208  -0.892
  181   2HB   ASN  25          2HB       ASN  25   1.457  13.177  -1.073
  182   2HD2  ASN  25          1HD2      ASN  25   1.278  13.760  -3.146
  183   1HD2  ASN  25          2HD2      ASN  25   1.294  12.684  -4.503
  184    H    HIS  26           H        HIS  26   2.818  11.827   1.865
  185    HA   HIS  26           HA       HIS  26   0.928  10.504   3.614
  186   1HB   HIS  26          1HB       HIS  26   3.317  12.349   3.890
  187   2HB   HIS  26          2HB       HIS  26   2.217  12.108   5.314
  188    HD1  HIS  26           HD1      HIS  26   4.742  10.397   3.187
  189    HD2  HIS  26           HD2      HIS  26   2.390   9.570   6.542
  190    HE1  HIS  26           HE1      HIS  26   5.678   8.221   4.203
  191    H    SER  27           H        SER  27   0.669  13.323   1.708
  192    HA   SER  27           HA       SER  27  -0.998  14.674   3.637
  193   1HB   SER  27          1HB       SER  27  -1.126  16.457   1.881
  194   2HB   SER  27          2HB       SER  27   0.517  16.082   2.358
  195    HG   SER  27           HG       SER  27  -0.555  15.998  -0.121
  196    H    THR  28           H        THR  28  -1.730  12.001   2.486
  197    HA   THR  28           HA       THR  28  -4.399  12.719   1.646
  198    HB   THR  28           HB       THR  28  -4.059  11.076  -0.385
  199    HG1  THR  28           HG1      THR  28  -1.799  11.003  -0.986
  200   1HG2  THR  28          1HG2      THR  28  -4.167  13.741  -0.413
  201   2HG2  THR  28          2HG2      THR  28  -2.415  13.606  -0.702
  202   3HG2  THR  28          3HG2      THR  28  -3.566  12.870  -1.844
  203    H    HIS  29           H        HIS  29  -3.050  11.547   3.919
  204    HA   HIS  29           HA       HIS  29  -4.836   9.302   4.325
  205   1HB   HIS  29          1HB       HIS  29  -1.843   8.796   3.910
  206   2HB   HIS  29          2HB       HIS  29  -2.943   7.647   4.785
  207    HD1  HIS  29           HD1      HIS  29  -1.733   8.579   1.495
  208    HD2  HIS  29           HD2      HIS  29  -5.030   6.526   3.038
  209    HE1  HIS  29           HE1      HIS  29  -2.733   7.245  -0.470
  210    H    LYS  30           H        LYS  30  -4.242  11.938   5.499
  211    HA   LYS  30           HA       LYS  30  -2.852  11.361   7.958
  212   1HB   LYS  30          1HB       LYS  30  -3.551  13.761   8.462
  213   2HB   LYS  30          2HB       LYS  30  -2.436  13.514   7.134
  214   1HG   LYS  30          1HG       LYS  30  -3.984  14.130   5.527
  215   2HG   LYS  30          2HG       LYS  30  -5.333  13.428   6.397
  216   1HD   LYS  30          1HD       LYS  30  -5.356  15.319   7.985
  217   2HD   LYS  30          2HD       LYS  30  -3.914  15.994   7.252
  218   1HE   LYS  30          1HE       LYS  30  -6.373  15.481   5.549
  219   2HE   LYS  30          2HE       LYS  30  -6.289  16.919   6.547
  220   1HZ   LYS  30          1HZ       LYS  30  -3.954  17.073   5.416
  221   2HZ   LYS  30          2HZ       LYS  30  -4.692  16.207   4.245
  222   3HZ   LYS  30          3HZ       LYS  30  -5.292  17.660   4.685
  223    H    ASP  31           H        ASP  31  -6.128  11.340   6.665
  224    HA   ASP  31           HA       ASP  31  -7.325  11.485   9.239
  225   1HB   ASP  31          1HB       ASP  31  -9.364  11.451   8.091
  226   2HB   ASP  31          2HB       ASP  31  -8.299  12.119   6.871
  227    H    VAL  32           H        VAL  32  -5.376   9.213   7.924
  228    HA   VAL  32           HA       VAL  32  -7.041   6.929   8.706
  229    HB   VAL  32           HB       VAL  32  -4.672   7.261   6.878
  230   1HG1  VAL  32          1HG1      VAL  32  -5.732   4.712   8.122
  231   2HG1  VAL  32          2HG1      VAL  32  -4.811   4.731   6.599
  232   3HG1  VAL  32          3HG1      VAL  32  -4.061   5.323   8.100
  233   1HG2  VAL  32          1HG2      VAL  32  -7.067   7.609   6.089
  234   2HG2  VAL  32          2HG2      VAL  32  -6.106   6.413   5.186
  235   3HG2  VAL  32          3HG2      VAL  32  -7.315   5.870   6.374
  236    H    LYS  33           H        LYS  33  -6.473   5.661  10.445
  237    HA   LYS  33           HA       LYS  33  -5.062   6.619  12.508
  238   1HB   LYS  33          1HB       LYS  33  -5.840   3.899  11.604
  239   2HB   LYS  33          2HB       LYS  33  -4.604   3.968  12.843
  240   1HG   LYS  33          1HG       LYS  33  -6.458   4.058  14.222
  241   2HG   LYS  33          2HG       LYS  33  -6.288   5.775  13.921
  242   1HD   LYS  33          1HD       LYS  33  -7.873   5.462  11.914
  243   2HD   LYS  33          2HD       LYS  33  -8.170   3.839  12.503
  244   1HE   LYS  33          1HE       LYS  33  -8.444   6.080  14.493
  245   2HE   LYS  33          2HE       LYS  33  -9.681   5.961  13.257
  246   1HZ   LYS  33          1HZ       LYS  33  -9.478   3.438  14.021
  247   2HZ   LYS  33          2HZ       LYS  33  -9.115   4.179  15.430
  248   3HZ   LYS  33          3HZ       LYS  33 -10.532   4.495  14.682
  249    H    CYS  34           H        CYS  34  -3.039   7.405  12.685
  250    HA   CYS  34           HA       CYS  34  -1.076   7.091  10.823
  251   1HB   CYS  34          1HB       CYS  34  -1.032   8.834  12.494
  252   2HB   CYS  34          2HB       CYS  34  -0.834   7.663  13.782
  253    H    ASP  35           H        ASP  35  -2.195   4.914  13.359
  254    HA   ASP  35           HA       ASP  35   0.183   3.288  13.042
  255   1HB   ASP  35          1HB       ASP  35  -0.615   2.062  15.003
  256   2HB   ASP  35          2HB       ASP  35  -0.644   3.779  15.349
  257    H    ASP  36           H        ASP  36  -1.743   3.562  10.844
  258    HA   ASP  36           HA       ASP  36  -3.157   1.027  10.973
  259   1HB   ASP  36          1HB       ASP  36  -4.593   2.875  10.355
  260   2HB   ASP  36          2HB       ASP  36  -3.424   3.490   9.203
  261    H    CYS  37           H        CYS  37  -0.628   2.933   9.338
  262    HA   CYS  37           HA       CYS  37  -0.230   0.757   7.428
  263   1HB   CYS  37          1HB       CYS  37   0.866   3.588   7.353
  264   2HB   CYS  37          2HB       CYS  37   1.110   2.358   6.130
  265    H    HIS  38           H        HIS  38   1.097   2.683  10.033
  266    HA   HIS  38           HA       HIS  38   3.652   1.130   9.987
  267   1HB   HIS  38          1HB       HIS  38   2.870   3.752  11.378
  268   2HB   HIS  38          2HB       HIS  38   4.486   2.934  11.500
  269    HD1  HIS  38           HD1      HIS  38   5.560   2.557   8.975
  270    HD2  HIS  38           HD2      HIS  38   2.893   5.729   9.523
  271    HE1  HIS  38           HE1      HIS  38   6.016   4.220   7.058
  272    H    HIS  39           H        HIS  39   3.210  -0.731  10.960
  273    HA   HIS  39           HA       HIS  39   1.983  -0.654  13.695
  274   1HB   HIS  39          1HB       HIS  39   1.051  -2.768  13.315
  275   2HB   HIS  39          2HB       HIS  39   0.823  -1.882  11.746
  276    HD1  HIS  39           HD1      HIS  39   2.719  -4.692  13.318
  277    HD2  HIS  39           HD2      HIS  39   2.096  -3.031   9.533
  278    HE1  HIS  39           HE1      HIS  39   3.683  -6.380  11.625
  279    H    GLN  40           H        GLN  40   4.821  -0.025  12.992
  280    HA   GLN  40           HA       GLN  40   6.156  -2.370  14.045
  281   1HB   GLN  40          1HB       GLN  40   6.916  -0.108  12.318
  282   2HB   GLN  40          2HB       GLN  40   8.097  -0.401  13.579
  283   1HG   GLN  40          1HG       GLN  40   8.535  -1.722  11.478
  284   2HG   GLN  40          2HG       GLN  40   8.365  -2.727  12.904
  285   2HE2  GLN  40          1HE2      GLN  40   6.055  -1.085  10.743
  286   1HE2  GLN  40          2HE2      GLN  40   5.109  -2.477  10.333
  287    HA   PRO  41           HA       PRO  41   6.853  -0.615  18.018
  288   1HB   PRO  41          1HB       PRO  41   9.397  -1.445  18.614
  289   2HB   PRO  41          2HB       PRO  41   8.028  -2.588  18.420
  290   1HG   PRO  41          1HG       PRO  41  10.199  -2.069  16.480
  291   2HG   PRO  41          2HG       PRO  41   9.285  -3.516  17.020
  292   1HD   PRO  41          1HD       PRO  41   8.782  -1.931  14.691
  293   2HD   PRO  41          2HD       PRO  41   7.657  -3.120  15.414
  294    H    GLY  42           H        GLY  42   7.872   1.181  19.180
  295   1HA   GLY  42          2HA       GLY  42   9.189   3.020  19.402
  296   2HA   GLY  42          1HA       GLY  42   8.446   3.431  17.869
  297    H    ASP  43           H        ASP  43  10.643   0.636  18.258
  298    HA   ASP  43           HA       ASP  43  12.946   2.044  17.498
  299   1HB   ASP  43          1HB       ASP  43  12.614  -0.305  18.678
  300   2HB   ASP  43          2HB       ASP  43  12.540  -0.928  17.042
  301    H    LYS  44           H        LYS  44  11.653   3.118  15.574
  302    HA   LYS  44           HA       LYS  44  11.827   3.378  13.343
  303   1HB   LYS  44          1HB       LYS  44  12.329   0.438  12.910
  304   2HB   LYS  44          2HB       LYS  44  12.753   1.789  11.879
  305   1HG   LYS  44          1HG       LYS  44  14.001   2.310  14.393
  306   2HG   LYS  44          2HG       LYS  44  14.275   0.610  14.069
  307   1HD   LYS  44          1HD       LYS  44  15.975   1.257  12.708
  308   2HD   LYS  44          2HD       LYS  44  14.749   1.798  11.578
  309   1HE   LYS  44          1HE       LYS  44  15.574   3.631  13.846
  310   2HE   LYS  44          2HE       LYS  44  16.616   3.487  12.444
  311   1HZ   LYS  44          1HZ       LYS  44  13.960   3.791  11.619
  312   2HZ   LYS  44          2HZ       LYS  44  14.333   4.988  12.666
  313   3HZ   LYS  44          3HZ       LYS  44  15.238   4.764  11.325
  314    H    GLN  45           H        GLN  45   9.487   3.401  14.628
  315    HA   GLN  45           HA       GLN  45   7.655   1.474  14.108
  316   1HB   GLN  45          1HB       GLN  45   7.337   3.523  15.535
  317   2HB   GLN  45          2HB       GLN  45   7.161   4.484  14.080
  318   1HG   GLN  45          1HG       GLN  45   5.031   3.725  13.673
  319   2HG   GLN  45          2HG       GLN  45   5.415   2.080  14.139
  320   2HE2  GLN  45          1HE2      GLN  45   3.483   4.518  14.859
  321   1HE2  GLN  45          2HE2      GLN  45   3.267   4.342  16.569
  322    H    TYR  46           H        TYR  46   9.220   3.644  11.935
  323    HA   TYR  46           HA       TYR  46   7.296   2.961   9.764
  324   1HB   TYR  46          1HB       TYR  46   8.879   4.934   8.747
  325   2HB   TYR  46          2HB       TYR  46   7.321   5.205   9.545
  326    HD1  TYR  46           HD1      TYR  46  11.002   5.283   9.994
  327    HD2  TYR  46           HD2      TYR  46   7.180   6.270  11.688
  328    HE1  TYR  46           HE1      TYR  46  12.122   6.684  11.707
  329    HE2  TYR  46           HE2      TYR  46   8.300   7.670  13.401
  330    HH   TYR  46           HH       TYR  46  11.692   7.630  13.964
  331    H    ALA  47           H        ALA  47   9.612   1.278  10.922
  332    HA   ALA  47           HA       ALA  47  11.760   1.393   9.147
  333   1HB   ALA  47          1HB       ALA  47  10.627  -0.493  11.147
  334   2HB   ALA  47          3HB       ALA  47  12.295   0.092  10.942
  335   3HB   ALA  47          2HB       ALA  47  11.679  -1.221   9.910
  336    H    GLY  48           H        GLY  48  12.265   0.141   7.263
  337   1HA   GLY  48          2HA       GLY  48  11.836  -1.056   5.391
  338   2HA   GLY  48          1HA       GLY  48  10.458   0.021   5.269
  339    H    CYS  49           H        CYS  49   8.928  -1.418   4.429
  340    HA   CYS  49           HA       CYS  49   7.729  -3.154   6.318
  341   1HB   CYS  49          1HB       CYS  49   7.110  -3.044   3.369
  342   2HB   CYS  49          2HB       CYS  49   6.059  -3.537   4.681
  343    H    THR  50           H        THR  50   9.698  -3.494   3.302
  344    HA   THR  50           HA       THR  50   9.579  -6.308   3.202
  345    HB   THR  50           HB       THR  50  11.466  -5.969   1.582
  346    HG1  THR  50           HG1      THR  50  11.204  -3.153   2.185
  347   1HG2  THR  50          1HG2      THR  50   9.012  -4.234   1.532
  348   2HG2  THR  50          2HG2      THR  50  10.330  -3.771   0.429
  349   3HG2  THR  50          3HG2      THR  50   9.601  -5.391   0.314
  350    H    THR  51           H        THR  51  12.437  -4.260   4.102
  351    HA   THR  51           HA       THR  51  14.296  -4.992   5.200
  352    HB   THR  51           HB       THR  51  12.394  -5.535   7.486
  353    HG1  THR  51           HG1      THR  51  11.424  -3.571   7.095
  354   1HG2  THR  51          1HG2      THR  51  15.064  -4.350   7.043
  355   2HG2  THR  51          2HG2      THR  51  13.994  -3.271   7.970
  356   3HG2  THR  51          3HG2      THR  51  14.325  -4.917   8.560
  357    H    ASP  52           H        ASP  52  13.783  -6.879   7.660
  358    HA   ASP  52           HA       ASP  52  14.003  -9.300   6.049
  359   1HB   ASP  52          1HB       ASP  52  15.242  -8.907   8.799
  360   2HB   ASP  52          2HB       ASP  52  15.620 -10.151   7.624
  361    H    GLY  53           H        GLY  53  12.874 -11.178   6.884
  362   1HA   GLY  53          2HA       GLY  53  11.821 -11.479   9.428
  363   2HA   GLY  53          1HA       GLY  53  11.241 -12.269   7.975
  364    H    CYS  54           H        CYS  54  10.483  -9.834   6.514
  365    HA   CYS  54           HA       CYS  54   8.100  -9.200   8.080
  366   1HB   CYS  54          1HB       CYS  54   9.629  -7.127   6.476
  367   2HB   CYS  54          2HB       CYS  54   8.191  -6.866   7.443
  368    H    HIS  55           H        HIS  55   8.177  -7.288   5.433
  369    HA   HIS  55           HA       HIS  55   6.730  -9.288   3.740
  370   1HB   HIS  55          1HB       HIS  55   6.595  -6.229   3.621
  371   2HB   HIS  55          2HB       HIS  55   5.498  -7.435   2.820
  372    HD1  HIS  55           HD1      HIS  55   3.863  -8.692   4.383
  373    HD2  HIS  55           HD2      HIS  55   5.861  -5.497   6.192
  374    HE1  HIS  55           HE1      HIS  55   2.553  -8.152   6.536
  375    H    ASN  56           H        ASN  56   9.283  -9.819   3.439
  376    HA   ASN  56           HA       ASN  56  10.493  -8.079   1.528
  377   1HB   ASN  56          1HB       ASN  56  12.228 -10.025   1.477
  378   2HB   ASN  56          2HB       ASN  56  12.050  -9.159   2.991
  379   2HD2  ASN  56          1HD2      ASN  56  13.143 -11.440   3.339
  380   1HD2  ASN  56          2HD2      ASN  56  12.085 -12.670   3.943
  381    H    ILE  57           H        ILE  57   9.117 -11.438   1.702
  382    HA   ILE  57           HA       ILE  57   9.601 -12.409  -0.744
  383    HB   ILE  57           HB       ILE  57   7.083 -12.540   0.906
  384   1HG1  ILE  57          1HG1      ILE  57   9.692 -13.807   1.018
  385   2HG1  ILE  57          2HG1      ILE  57   8.394 -13.801   2.196
  386   1HG2  ILE  57          1HG2      ILE  57   7.802 -14.148  -1.559
  387   2HG2  ILE  57          2HG2      ILE  57   6.479 -14.531  -0.432
  388   3HG2  ILE  57          3HG2      ILE  57   6.438 -13.021  -1.372
  389   1HD1  ILE  57          1HD1      ILE  57   8.458 -15.593  -0.276
  390   2HD1  ILE  57          2HD1      ILE  57   8.937 -16.104   1.361
  391   3HD1  ILE  57          3HD1      ILE  57   7.250 -15.639   1.031
  392    H    LEU  58           H        LEU  58   9.492 -11.560  -2.746
  393    HA   LEU  58           HA       LEU  58   7.388  -9.577  -3.228
  394   1HB   LEU  58          1HB       LEU  58   9.934 -10.044  -4.781
  395   2HB   LEU  58          2HB       LEU  58   8.785  -8.741  -5.006
  396    HG   LEU  58           HG       LEU  58  10.637  -9.175  -2.653
  397   1HD1  LEU  58          1HD1      LEU  58  10.440  -6.975  -4.728
  398   2HD1  LEU  58          2HD1      LEU  58  11.527  -6.967  -3.318
  399   3HD1  LEU  58          3HD1      LEU  58  11.721  -8.203  -4.585
  400   1HD2  LEU  58          1HD2      LEU  58   8.407  -8.427  -1.874
  401   2HD2  LEU  58          2HD2      LEU  58   9.689  -7.224  -1.597
  402   3HD2  LEU  58          3HD2      LEU  58   8.540  -7.006  -2.939
  403    H    ASP  59           H        ASP  59   6.590 -12.266  -3.113
  404    HA   ASP  59           HA       ASP  59   6.050 -12.694  -5.940
  405   1HB   ASP  59          1HB       ASP  59   7.727 -14.346  -4.698
  406   2HB   ASP  59          2HB       ASP  59   6.264 -15.012  -4.000
  407    H    LYS  60           H        LYS  60   3.866 -13.494  -6.346
  408    HA   LYS  60           HA       LYS  60   2.098 -13.151  -4.048
  409   1HB   LYS  60          1HB       LYS  60   0.455 -12.487  -5.522
  410   2HB   LYS  60          2HB       LYS  60   1.897 -11.880  -6.311
  411   1HG   LYS  60          1HG       LYS  60   1.945 -14.143  -7.598
  412   2HG   LYS  60          2HG       LYS  60   0.316 -14.389  -7.001
  413   1HD   LYS  60          1HD       LYS  60   0.689 -11.693  -8.146
  414   2HD   LYS  60          2HD       LYS  60   1.034 -12.959  -9.307
  415   1HE   LYS  60          1HE       LYS  60  -1.522 -12.796  -7.639
  416   2HE   LYS  60          2HE       LYS  60  -1.387 -12.250  -9.298
  417   1HZ   LYS  60          1HZ       LYS  60  -0.504 -14.943  -8.764
  418   2HZ   LYS  60          2HZ       LYS  60  -2.112 -14.678  -8.662
  419   3HZ   LYS  60          3HZ       LYS  60  -1.317 -14.349 -10.050
  420    H    ALA  61           H        ALA  61   3.343 -15.519  -6.370
  421    HA   ALA  61           HA       ALA  61   1.362 -17.455  -6.103
  422   1HB   ALA  61          2HB       ALA  61   3.781 -18.812  -6.440
  423   2HB   ALA  61          3HB       ALA  61   2.736 -18.184  -7.736
  424   3HB   ALA  61          1HB       ALA  61   4.093 -17.203  -7.133
  425    H    ASP  62           H        ASP  62   3.669 -16.205  -3.825
  426    HA   ASP  62           HA       ASP  62   3.671 -18.620  -2.277
  427   1HB   ASP  62          1HB       ASP  62   5.092 -16.004  -2.271
  428   2HB   ASP  62          2HB       ASP  62   4.763 -16.635  -0.669
  429    H    LYS  63           H        LYS  63   2.409 -18.912  -0.374
  430    HA   LYS  63           HA       LYS  63   0.452 -16.800   0.136
  431   1HB   LYS  63          1HB       LYS  63   0.388 -19.730   0.105
  432   2HB   LYS  63          2HB       LYS  63  -0.328 -19.054   1.554
  433   1HG   LYS  63          1HG       LYS  63  -1.023 -18.049  -1.241
  434   2HG   LYS  63          2HG       LYS  63  -1.904 -19.347  -0.460
  435   1HD   LYS  63          1HD       LYS  63  -1.825 -17.376   1.526
  436   2HD   LYS  63          2HD       LYS  63  -1.999 -16.436   0.057
  437   1HE   LYS  63          1HE       LYS  63  -4.157 -17.114  -0.252
  438   2HE   LYS  63          2HE       LYS  63  -3.759 -18.796   0.038
  439   1HZ   LYS  63          1HZ       LYS  63  -3.546 -17.423   2.441
  440   2HZ   LYS  63          2HZ       LYS  63  -4.979 -17.021   1.770
  441   3HZ   LYS  63          3HZ       LYS  63  -4.615 -18.590   2.037
  442    H    SER  64           H        SER  64   0.642 -15.538   1.907
  443    HA   SER  64           HA       SER  64   1.093 -16.246   4.398
  444   1HB   SER  64          1HB       SER  64   3.188 -17.183   4.381
  445   2HB   SER  64          2HB       SER  64   3.664 -16.359   2.910
  446    HG   SER  64           HG       SER  64   4.595 -15.757   5.218
  447    H    VAL  65           H        VAL  65   1.868 -14.338   5.826
  448    HA   VAL  65           HA       VAL  65   1.076 -11.888   4.476
  449    HB   VAL  65           HB       VAL  65   1.443 -12.641   7.380
  450   1HG1  VAL  65          1HG1      VAL  65   1.228 -10.017   6.092
  451   2HG1  VAL  65          2HG1      VAL  65  -0.032 -10.297   7.318
  452   3HG1  VAL  65          3HG1      VAL  65   1.687 -10.443   7.759
  453   1HG2  VAL  65          1HG2      VAL  65  -0.963 -12.313   5.581
  454   2HG2  VAL  65          2HG2      VAL  65  -0.512 -13.695   6.609
  455   3HG2  VAL  65          3HG2      VAL  65  -1.092 -12.185   7.352
  456    H    ASN  66           H        ASN  66   3.655 -13.069   3.796
  457    HA   ASN  66           HA       ASN  66   5.377 -11.050   5.008
  458   1HB   ASN  66          1HB       ASN  66   5.780 -13.940   4.391
  459   2HB   ASN  66          2HB       ASN  66   7.098 -12.918   3.851
  460   2HD2  ASN  66          1HD2      ASN  66   4.908 -13.226   6.648
  461   1HD2  ASN  66          2HD2      ASN  66   6.104 -13.033   7.885
  462    H    SER  67           H        SER  67   3.503 -11.503   2.409
  463    HA   SER  67           HA       SER  67   5.532 -10.980   0.411
  464   1HB   SER  67          1HB       SER  67   4.107 -12.507  -0.565
  465   2HB   SER  67          2HB       SER  67   2.731 -12.010   0.400
  466    HG   SER  67           HG       SER  67   3.839 -10.547  -1.845
  467    H    TRP  68           H        TRP  68   6.027  -8.871  -0.056
  468    HA   TRP  68           HA       TRP  68   4.766  -6.705   1.071
  469   1HB   TRP  68          1HB       TRP  68   6.971  -6.497   0.240
  470   2HB   TRP  68          2HB       TRP  68   6.502  -6.988  -1.376
  471    HD1  TRP  68           HD1      TRP  68   6.558  -4.914  -2.949
  472    HE1  TRP  68           HE1      TRP  68   5.974  -2.342  -2.868
  473    HE3  TRP  68           HE3      TRP  68   5.116  -4.857   1.927
  474    HZ2  TRP  68           HZ2      TRP  68   4.998  -0.610  -0.821
  475    HZ3  TRP  68           HZ3      TRP  68   4.361  -2.684   2.889
  476    HH2  TRP  68           HH2      TRP  68   4.288  -0.610   1.599
  477    H    TYR  69           H        TYR  69   4.183  -8.485  -1.928
  478    HA   TYR  69           HA       TYR  69   2.134  -6.614  -2.854
  479   1HB   TYR  69          1HB       TYR  69   3.532  -7.701  -4.493
  480   2HB   TYR  69          2HB       TYR  69   3.140  -9.300  -3.839
  481    HD1  TYR  69           HD1      TYR  69   1.849  -6.421  -5.776
  482    HD2  TYR  69           HD2      TYR  69   1.082 -10.417  -4.398
  483    HE1  TYR  69           HE1      TYR  69  -0.057  -6.599  -7.352
  484    HE2  TYR  69           HE2      TYR  69  -0.825 -10.594  -5.975
  485    HH   TYR  69           HH       TYR  69  -1.408  -8.367  -8.507
  486    H    LYS  70           H        LYS  70   2.047  -8.456  -0.215
  487    HA   LYS  70           HA       LYS  70  -0.657  -9.432  -0.820
  488   1HB   LYS  70          1HB       LYS  70   1.061 -11.244  -0.512
  489   2HB   LYS  70          2HB       LYS  70   1.299 -10.680   1.129
  490   1HG   LYS  70          1HG       LYS  70  -0.388 -12.120   1.670
  491   2HG   LYS  70          2HG       LYS  70  -1.454 -10.877   1.047
  492   1HD   LYS  70          1HD       LYS  70  -0.498 -12.361  -1.218
  493   2HD   LYS  70          2HD       LYS  70  -0.968 -13.535  -0.005
  494   1HE   LYS  70          1HE       LYS  70  -3.021 -13.183  -1.063
  495   2HE   LYS  70          2HE       LYS  70  -3.135 -12.013   0.237
  496   1HZ   LYS  70          1HZ       LYS  70  -1.808 -10.905  -1.980
  497   2HZ   LYS  70          2HZ       LYS  70  -3.260 -11.498  -2.436
  498   3HZ   LYS  70          3HZ       LYS  70  -3.169 -10.394  -1.236
  499    H    VAL  71           H        VAL  71   0.822  -6.873   0.396
  500    HA   VAL  71           HA       VAL  71  -1.003  -6.730   2.692
  501    HB   VAL  71           HB       VAL  71   0.631  -5.499   3.925
  502   1HG1  VAL  71          1HG1      VAL  71   0.998  -8.217   3.106
  503   2HG1  VAL  71          2HG1      VAL  71   2.600  -7.472   3.323
  504   3HG1  VAL  71          3HG1      VAL  71   1.421  -7.451   4.656
  505   1HG2  VAL  71          1HG2      VAL  71   1.633  -4.445   1.796
  506   2HG2  VAL  71          2HG2      VAL  71   2.734  -4.799   3.150
  507   3HG2  VAL  71          3HG2      VAL  71   2.680  -5.884   1.739
  508    H    VAL  72           H        VAL  72  -0.874  -5.913  -0.354
  509    HA   VAL  72           HA       VAL  72  -1.742  -3.162   0.172
  510    HB   VAL  72           HB       VAL  72  -0.010  -4.143  -2.104
  511   1HG1  VAL  72          1HG1      VAL  72  -1.944  -2.207  -2.304
  512   2HG1  VAL  72          2HG1      VAL  72  -0.513  -1.248  -1.853
  513   3HG1  VAL  72          3HG1      VAL  72  -0.469  -2.288  -3.298
  514   1HG2  VAL  72          1HG2      VAL  72   0.520  -2.246   0.204
  515   2HG2  VAL  72          2HG2      VAL  72   1.311  -3.806  -0.126
  516   3HG2  VAL  72          3HG2      VAL  72   1.587  -2.421  -1.211
  517    H    HIS  73           H        HIS  73  -1.605  -5.752  -2.275
  518    HA   HIS  73           HA       HIS  73  -4.217  -4.992  -3.382
  519   1HB   HIS  73          1HB       HIS  73  -2.407  -7.391  -3.999
  520   2HB   HIS  73          2HB       HIS  73  -3.792  -6.771  -4.997
  521    HD1  HIS  73           HD1      HIS  73  -0.211  -6.291  -4.283
  522    HD2  HIS  73           HD2      HIS  73  -3.220  -4.359  -6.447
  523    HE1  HIS  73           HE1      HIS  73   0.984  -4.628  -5.847
  524    H    ASP  74           H        ASP  74  -3.379  -6.473  -0.539
  525    HA   ASP  74           HA       ASP  74  -4.956  -8.776  -0.613
  526   1HB   ASP  74          1HB       ASP  74  -3.149  -7.747   1.137
  527   2HB   ASP  74          2HB       ASP  74  -4.616  -7.241   1.952
  528    H    ALA  75           H        ALA  75  -6.727  -7.282  -1.853
  529    HA   ALA  75           HA       ALA  75  -8.257  -5.402  -0.686
  530   1HB   ALA  75          2HB       ALA  75  -9.563  -7.697  -2.148
  531   2HB   ALA  75          1HB       ALA  75  -8.396  -6.651  -2.991
  532   3HB   ALA  75          3HB       ALA  75  -9.872  -5.950  -2.286
  533    H    LYS  76           H        LYS  76  -7.998  -8.821   0.196
  534    HA   LYS  76           HA       LYS  76 -10.400  -8.967   1.660
  535   1HB   LYS  76          1HB       LYS  76  -7.977 -10.614   1.253
  536   2HB   LYS  76          2HB       LYS  76  -8.773 -10.845   2.796
  537   1HG   LYS  76          1HG       LYS  76 -10.052 -11.085   0.035
  538   2HG   LYS  76          2HG       LYS  76  -9.734 -12.394   1.157
  539   1HD   LYS  76          1HD       LYS  76 -11.238 -10.681   2.735
  540   2HD   LYS  76          2HD       LYS  76 -11.941 -10.396   1.156
  541   1HE   LYS  76          1HE       LYS  76 -13.034 -12.385   1.222
  542   2HE   LYS  76          2HE       LYS  76 -11.534 -13.251   1.486
  543   1HZ   LYS  76          1HZ       LYS  76 -12.962 -11.859   3.639
  544   2HZ   LYS  76          2HZ       LYS  76 -13.193 -13.437   3.289
  545   3HZ   LYS  76          3HZ       LYS  76 -11.729 -12.919   3.793
  546    H    GLY  77           H        GLY  77  -6.962  -8.313   2.612
  547   1HA   GLY  77          2HA       GLY  77  -7.800  -6.506   4.663
  548   2HA   GLY  77          1HA       GLY  77  -6.169  -7.030   4.297
  549    H    GLY  78           H        GLY  78  -5.989  -7.058   6.737
  550   1HA   GLY  78          2HA       GLY  78  -5.506  -9.249   7.967
  551   2HA   GLY  78          1HA       GLY  78  -7.247  -9.441   7.932
  552    H    ALA  79           H        ALA  79  -5.038  -8.818  10.104
  553    HA   ALA  79           HA       ALA  79  -6.682  -7.485  11.872
  554   1HB   ALA  79          2HB       ALA  79  -4.120  -6.986  12.784
  555   2HB   ALA  79          3HB       ALA  79  -5.037  -8.486  13.061
  556   3HB   ALA  79          1HB       ALA  79  -3.878  -8.387  11.714
  557    H    LYS  80           H        LYS  80  -4.744  -6.273   9.224
  558    HA   LYS  80           HA       LYS  80  -5.549  -3.577   9.969
  559   1HB   LYS  80          1HB       LYS  80  -2.986  -4.410  10.522
  560   2HB   LYS  80          2HB       LYS  80  -2.797  -3.715   8.925
  561   1HG   LYS  80          1HG       LYS  80  -3.480  -1.570   9.618
  562   2HG   LYS  80          2HG       LYS  80  -4.415  -2.185  10.967
  563   1HD   LYS  80          1HD       LYS  80  -1.406  -2.559  10.940
  564   2HD   LYS  80          2HD       LYS  80  -2.080  -1.010  11.404
  565   1HE   LYS  80          1HE       LYS  80  -3.646  -2.815  12.860
  566   2HE   LYS  80          2HE       LYS  80  -2.066  -3.572  12.887
  567   1HZ   LYS  80          1HZ       LYS  80  -1.167  -1.447  13.645
  568   2HZ   LYS  80          2HZ       LYS  80  -2.672  -0.815  13.701
  569   3HZ   LYS  80          3HZ       LYS  80  -2.269  -2.053  14.687
  570    HA   PRO  81           HA       PRO  81  -6.853  -3.475   5.807
  571   1HB   PRO  81          1HB       PRO  81  -6.662  -0.712   5.447
  572   2HB   PRO  81          2HB       PRO  81  -7.983  -1.539   6.335
  573   1HG   PRO  81          1HG       PRO  81  -5.520  -0.148   7.553
  574   2HG   PRO  81          2HG       PRO  81  -7.276  -0.125   7.920
  575   1HD   PRO  81          1HD       PRO  81  -5.464  -1.761   9.230
  576   2HD   PRO  81          2HD       PRO  81  -7.161  -2.250   8.937
  577    H    THR  82           H        THR  82  -5.982  -3.076   3.614
  578    HA   THR  82           HA       THR  82  -3.061  -2.772   3.697
  579    HB   THR  82           HB       THR  82  -3.480  -3.851   1.296
  580    HG1  THR  82           HG1      THR  82  -5.623  -4.356   1.073
  581   1HG2  THR  82          1HG2      THR  82  -2.756  -4.978   3.681
  582   2HG2  THR  82          2HG2      THR  82  -4.332  -5.769   3.444
  583   3HG2  THR  82          3HG2      THR  82  -3.055  -5.944   2.217
  584    H    CYS  83           H        CYS  83  -4.780  -2.427   0.673
  585    HA   CYS  83           HA       CYS  83  -4.582   0.469   0.872
  586   1HB   CYS  83          1HB       CYS  83  -3.333  -1.111  -1.385
  587   2HB   CYS  83          2HB       CYS  83  -3.435   0.635  -1.275
  588    H    ILE  84           H        ILE  84  -5.454  -2.461  -1.083
  589    HA   ILE  84           HA       ILE  84  -7.457  -1.019  -2.536
  590    HB   ILE  84           HB       ILE  84  -6.327  -3.762  -2.499
  591   1HG1  ILE  84          1HG1      ILE  84  -6.727  -1.522  -4.431
  592   2HG1  ILE  84          2HG1      ILE  84  -5.302  -2.489  -4.109
  593   1HG2  ILE  84          1HG2      ILE  84  -8.738  -4.190  -2.286
  594   2HG2  ILE  84          2HG2      ILE  84  -9.041  -3.162  -3.708
  595   3HG2  ILE  84          3HG2      ILE  84  -8.111  -4.670  -3.881
  596   1HD1  ILE  84          1HD1      ILE  84  -6.443  -4.465  -5.193
  597   2HD1  ILE  84          2HD1      ILE  84  -7.796  -3.389  -5.619
  598   3HD1  ILE  84          3HD1      ILE  84  -6.179  -3.099  -6.303
  599    H    SER  85           H        SER  85  -7.242  -3.035   0.385
  600    HA   SER  85           HA       SER  85  -9.868  -3.748   0.617
  601   1HB   SER  85          1HB       SER  85  -9.387  -3.815   3.104
  602   2HB   SER  85          2HB       SER  85  -8.224  -4.674   2.113
  603    HG   SER  85           HG       SER  85  -7.068  -2.408   2.184
  604    H    CYS  86           H        CYS  86  -8.439  -1.188   2.750
  605    HA   CYS  86           HA       CYS  86 -10.659   0.023   3.542
  606   1HB   CYS  86          1HB       CYS  86  -8.440   0.695   4.297
  607   2HB   CYS  86          2HB       CYS  86  -8.079   1.404   2.735
  608    H    HIS  87           H        HIS  87  -8.824   0.849   0.592
  609    HA   HIS  87           HA       HIS  87 -10.458   2.829  -0.503
  610   1HB   HIS  87          1HB       HIS  87  -8.584   0.720  -1.613
  611   2HB   HIS  87          2HB       HIS  87  -9.579   1.714  -2.761
  612    HD1  HIS  87           HD1      HIS  87  -8.001   3.256  -3.727
  613    HD2  HIS  87           HD2      HIS  87  -7.491   3.024   0.416
  614    HE1  HIS  87           HE1      HIS  87  -6.235   5.032  -3.119
  615    H    LYS  88           H        LYS  88 -10.671  -0.757  -1.250
  616    HA   LYS  88           HA       LYS  88 -12.965  -0.567  -2.779
  617   1HB   LYS  88          1HB       LYS  88 -11.452  -2.526  -2.648
  618   2HB   LYS  88          2HB       LYS  88 -12.046  -2.875  -1.037
  619   1HG   LYS  88          1HG       LYS  88 -14.413  -2.953  -2.059
  620   2HG   LYS  88          2HG       LYS  88 -13.646  -2.898  -3.633
  621   1HD   LYS  88          1HD       LYS  88 -12.242  -4.937  -2.852
  622   2HD   LYS  88          2HD       LYS  88 -13.354  -5.056  -1.502
  623   1HE   LYS  88          1HE       LYS  88 -14.609  -4.809  -4.215
  624   2HE   LYS  88          2HE       LYS  88 -13.760  -6.309  -3.897
  625   1HZ   LYS  88          1HZ       LYS  88 -15.280  -5.673  -1.663
  626   2HZ   LYS  88          2HZ       LYS  88 -16.248  -5.541  -2.971
  627   3HZ   LYS  88          3HZ       LYS  88 -15.459  -6.940  -2.678
  628    H    ASP  89           H        ASP  89 -12.484  -0.433   0.726
  629    HA   ASP  89           HA       ASP  89 -15.285  -0.822   1.196
  630   1HB   ASP  89          1HB       ASP  89 -13.038  -1.314   2.693
  631   2HB   ASP  89          2HB       ASP  89 -13.499   0.244   3.350
  632    H    LYS  90           H        LYS  90 -13.679   1.605  -0.213
  633    HA   LYS  90           HA       LYS  90 -15.295   3.660   1.095
  634   1HB   LYS  90          1HB       LYS  90 -12.321   3.666   0.713
  635   2HB   LYS  90          2HB       LYS  90 -13.195   5.176   0.554
  636   1HG   LYS  90          1HG       LYS  90 -14.067   3.620   2.909
  637   2HG   LYS  90          2HG       LYS  90 -12.358   4.001   2.959
  638   1HD   LYS  90          1HD       LYS  90 -13.506   6.407   2.099
  639   2HD   LYS  90          2HD       LYS  90 -14.690   5.797   3.236
  640   1HE   LYS  90          1HE       LYS  90 -12.887   5.508   4.954
  641   2HE   LYS  90          2HE       LYS  90 -11.707   6.126   3.817
  642   1HZ   LYS  90          1HZ       LYS  90 -13.403   8.080   3.714
  643   2HZ   LYS  90          2HZ       LYS  90 -13.817   7.545   5.200
  644   3HZ   LYS  90          3HZ       LYS  90 -12.280   8.007   4.897
  645    H    ALA  91           H        ALA  91 -16.634   2.857  -0.822
  646    HA   ALA  91           HA       ALA  91 -16.483   4.752  -2.861
  647   1HB   ALA  91          1HB       ALA  91 -15.141   2.109  -3.379
  648   2HB   ALA  91          3HB       ALA  91 -14.688   3.740  -3.930
  649   3HB   ALA  91          2HB       ALA  91 -16.051   2.889  -4.696
  650    H    GLY  92           H        GLY  92 -17.239   1.197  -2.900
  651   1HA   GLY  92          2HA       GLY  92 -20.095   1.944  -3.113
  652   2HA   GLY  92          1HA       GLY  92 -19.508   0.552  -2.227
  653    H    ASP  93           H        ASP  93 -20.785   1.604  -5.183
  654    HA   ASP  93           HA       ASP  93 -19.522  -0.582  -6.621
  655   1HB   ASP  93          1HB       ASP  93 -21.648  -1.407  -7.413
  656   2HB   ASP  93          2HB       ASP  93 -21.767  -1.281  -5.670
  657    H    ASP  94           H        ASP  94 -18.716   2.034  -6.977
  658    HA   ASP  94           HA       ASP  94 -20.347   3.130  -9.099
  659   1HB   ASP  94          1HB       ASP  94 -19.372   4.512  -7.141
  660   2HB   ASP  94          2HB       ASP  94 -17.802   4.292  -7.886
  661    H    LYS  95           H        LYS  95 -18.694   4.299 -10.862
  662    HA   LYS  95           HA       LYS  95 -17.012   2.103 -11.807
  663   1HB   LYS  95          1HB       LYS  95 -18.533   4.320 -13.145
  664   2HB   LYS  95          2HB       LYS  95 -17.141   3.627 -13.953
  665   1HG   LYS  95          1HG       LYS  95 -18.325   1.783 -14.537
  666   2HG   LYS  95          2HG       LYS  95 -18.749   1.471 -12.865
  667   1HD   LYS  95          1HD       LYS  95 -20.435   3.560 -13.360
  668   2HD   LYS  95          2HD       LYS  95 -20.305   2.915 -14.984
  669   1HE   LYS  95          1HE       LYS  95 -20.967   0.656 -14.155
  670   2HE   LYS  95          2HE       LYS  95 -21.062   1.274 -12.518
  671   1HZ   LYS  95          1HZ       LYS  95 -22.570   2.823 -14.358
  672   2HZ   LYS  95          2HZ       LYS  95 -23.068   1.269 -14.306
  673   3HZ   LYS  95          3HZ       LYS  95 -23.029   2.159 -12.938
  674    H    GLU  96           H        GLU  96 -16.998   5.740 -11.701
  675    HA   GLU  96           HA       GLU  96 -14.321   5.982 -12.233
  676   1HB   GLU  96          1HB       GLU  96 -16.458   7.700 -11.068
  677   2HB   GLU  96          2HB       GLU  96 -14.822   8.187 -10.668
  678   1HG   GLU  96          1HG       GLU  96 -15.937   7.747 -13.478
  679   2HG   GLU  96          2HG       GLU  96 -15.548   9.293 -12.749
  680    H    LEU  97           H        LEU  97 -16.008   5.077  -9.265
  681    HA   LEU  97           HA       LEU  97 -13.558   5.426  -7.719
  682   1HB   LEU  97          1HB       LEU  97 -16.404   5.502  -7.168
  683   2HB   LEU  97          2HB       LEU  97 -15.578   4.401  -6.084
  684    HG   LEU  97           HG       LEU  97 -14.377   7.108  -6.483
  685   1HD1  LEU  97          1HD1      LEU  97 -16.875   7.427  -6.233
  686   2HD1  LEU  97          2HD1      LEU  97 -16.715   6.719  -4.608
  687   3HD1  LEU  97          3HD1      LEU  97 -15.856   8.224  -5.010
  688   1HD2  LEU  97          1HD2      LEU  97 -13.603   5.061  -4.979
  689   2HD2  LEU  97          2HD2      LEU  97 -13.390   6.750  -4.459
  690   3HD2  LEU  97          3HD2      LEU  97 -14.752   5.791  -3.832
  691    H    LYS  98           H        LYS  98 -14.579   3.262  -9.896
  692    HA   LYS  98           HA       LYS  98 -13.832   0.951  -8.245
  693   1HB   LYS  98          1HB       LYS  98 -15.920   0.411  -9.051
  694   2HB   LYS  98          2HB       LYS  98 -15.716   1.313 -10.539
  695   1HG   LYS  98          1HG       LYS  98 -15.625  -1.043 -11.104
  696   2HG   LYS  98          2HG       LYS  98 -14.006  -0.399 -11.290
  697   1HD   LYS  98          1HD       LYS  98 -13.856  -1.161  -8.680
  698   2HD   LYS  98          2HD       LYS  98 -15.070  -2.301  -9.225
  699   1HE   LYS  98          1HE       LYS  98 -12.593  -1.936 -10.917
  700   2HE   LYS  98          2HE       LYS  98 -12.453  -2.853  -9.430
  701   1HZ   LYS  98          1HZ       LYS  98 -14.449  -3.405 -11.514
  702   2HZ   LYS  98          2HZ       LYS  98 -13.034  -4.204 -11.357
  703   3HZ   LYS  98          3HZ       LYS  98 -14.164  -4.306 -10.182
  704    H    LYS  99           H        LYS  99 -12.983   3.054 -10.928
  705    HA   LYS  99           HA       LYS  99 -10.690   1.294 -11.458
  706   1HB   LYS  99          1HB       LYS  99 -12.693   2.308 -13.270
  707   2HB   LYS  99          2HB       LYS  99 -11.128   2.967 -13.701
  708   1HG   LYS  99          1HG       LYS  99 -10.274   0.916 -14.307
  709   2HG   LYS  99          2HG       LYS  99 -11.075   0.075 -12.995
  710   1HD   LYS  99          1HD       LYS  99 -11.874  -0.431 -15.420
  711   2HD   LYS  99          2HD       LYS  99 -13.102  -0.163 -14.199
  712   1HE   LYS  99          1HE       LYS  99 -12.163   2.313 -15.575
  713   2HE   LYS  99          2HE       LYS  99 -12.987   1.169 -16.616
  714   1HZ   LYS  99          1HZ       LYS  99 -14.463   1.276 -14.320
  715   2HZ   LYS  99          2HZ       LYS  99 -14.072   2.831 -14.634
  716   3HZ   LYS  99          3HZ       LYS  99 -14.847   1.940 -15.762
  717    H    LYS 100           H        LYS 100 -10.972   3.336  -9.364
  718    HA   LYS 100           HA       LYS 100  -8.841   5.102 -10.316
  719   1HB   LYS 100          1HB       LYS 100 -10.969   6.349 -10.409
  720   2HB   LYS 100          2HB       LYS 100 -11.258   5.998  -8.717
  721   1HG   LYS 100          1HG       LYS 100  -9.415   7.334  -7.993
  722   2HG   LYS 100          2HG       LYS 100  -8.670   7.333  -9.579
  723   1HD   LYS 100          1HD       LYS 100 -10.294   8.856 -10.475
  724   2HD   LYS 100          2HD       LYS 100 -11.406   8.588  -9.148
  725   1HE   LYS 100          1HE       LYS 100 -10.180   9.934  -7.657
  726   2HE   LYS 100          2HE       LYS 100  -8.666   9.682  -8.502
  727   1HZ   LYS 100          1HZ       LYS 100 -10.227  10.903 -10.330
  728   2HZ   LYS 100          2HZ       LYS 100 -10.648  11.657  -8.944
  729   3HZ   LYS 100          3HZ       LYS 100  -9.086  11.633  -9.418
  730    H    LEU 101           H        LEU 101 -10.741   4.118  -7.373
  731    HA   LEU 101           HA       LEU 101  -8.314   4.301  -5.811
  732   1HB   LEU 101          1HB       LEU 101 -11.190   3.701  -5.122
  733   2HB   LEU 101          2HB       LEU 101  -9.887   3.665  -3.951
  734    HG   LEU 101           HG       LEU 101 -11.414   5.799  -4.289
  735   1HD1  LEU 101          1HD1      LEU 101  -9.341   5.342  -2.779
  736   2HD1  LEU 101          2HD1      LEU 101  -8.479   6.351  -3.967
  737   3HD1  LEU 101          3HD1      LEU 101  -9.869   7.016  -3.075
  738   1HD2  LEU 101          1HD2      LEU 101 -10.907   6.034  -6.689
  739   2HD2  LEU 101          2HD2      LEU 101 -10.439   7.471  -5.750
  740   3HD2  LEU 101          3HD2      LEU 101  -9.196   6.317  -6.288
  741    H    THR 102           H        THR 102  -9.678   2.060  -7.908
  742    HA   THR 102           HA       THR 102  -8.031  -0.037  -6.799
  743    HB   THR 102           HB       THR 102  -9.790  -1.577  -6.346
  744    HG1  THR 102           HG1      THR 102 -10.951  -1.168  -8.341
  745   1HG2  THR 102          1HG2      THR 102 -11.009   1.166  -5.724
  746   2HG2  THR 102          2HG2      THR 102 -11.547  -0.382  -5.030
  747   3HG2  THR 102          3HG2      THR 102  -9.929   0.253  -4.643
  748    H    GLY 103           H        GLY 103  -8.324   1.813  -9.216
  749   1HA   GLY 103          2HA       GLY 103  -8.443   1.646 -11.493
  750   2HA   GLY 103          1HA       GLY 103  -8.983  -0.016 -11.363
  751    H    CYS 104           H        CYS 104  -7.480  -0.750 -12.977
  752    HA   CYS 104           HA       CYS 104  -4.811  -1.092 -11.883
  753   1HB   CYS 104          1HB       CYS 104  -6.165  -2.444 -14.227
  754   2HB   CYS 104          2HB       CYS 104  -4.556  -2.807 -13.634
  755    H    LYS 105           H        LYS 105  -6.309  -0.512 -15.158
  756    HA   LYS 105           HA       LYS 105  -4.003   1.196 -15.759
  757   1HB   LYS 105          1HB       LYS 105  -4.162  -0.681 -17.251
  758   2HB   LYS 105          2HB       LYS 105  -5.865  -0.390 -17.545
  759   1HG   LYS 105          1HG       LYS 105  -4.902   2.047 -18.270
  760   2HG   LYS 105          2HG       LYS 105  -3.472   1.090 -18.599
  761   1HD   LYS 105          1HD       LYS 105  -6.252   0.751 -19.794
  762   2HD   LYS 105          2HD       LYS 105  -4.760   1.117 -20.639
  763   1HE   LYS 105          1HE       LYS 105  -4.826  -1.153 -21.075
  764   2HE   LYS 105          2HE       LYS 105  -3.993  -1.228 -19.535
  765   1HZ   LYS 105          1HZ       LYS 105  -6.855  -1.155 -19.358
  766   2HZ   LYS 105          2HZ       LYS 105  -6.249  -2.501 -20.055
  767   3HZ   LYS 105          3HZ       LYS 105  -5.783  -2.083 -18.547
  768    H    GLY 106           H        GLY 106  -4.673   3.144 -14.818
  769   1HA   GLY 106          2HA       GLY 106  -7.126   4.297 -16.007
  770   2HA   GLY 106          1HA       GLY 106  -5.648   5.196 -15.731
  771    H    SER 107           H        SER 107  -4.976   3.977 -13.135
  772    HA   SER 107           HA       SER 107  -7.034   5.327 -11.587
  773   1HB   SER 107          1HB       SER 107  -7.514   3.495 -10.346
  774   2HB   SER 107          2HB       SER 107  -6.686   2.561 -11.576
  775    HG   SER 107           HG       SER 107  -4.827   2.485 -10.347
  776    H    ALA 108           H        ALA 108  -6.176   5.973  -9.344
  777    HA   ALA 108           HA       ALA 108  -4.020   7.558  -9.474
  778   1HB   ALA 108          2HB       ALA 108  -3.943   7.369  -6.990
  779   2HB   ALA 108          3HB       ALA 108  -5.605   7.524  -7.610
  780   3HB   ALA 108          1HB       ALA 108  -4.994   5.936  -7.088
  781    H    CYS 109           H        CYS 109  -4.058   4.027  -9.173
  782    HA   CYS 109           HA       CYS 109  -1.137   4.108  -8.955
  783   1HB   CYS 109          1HB       CYS 109  -2.949   1.792  -8.211
  784   2HB   CYS 109          2HB       CYS 109  -1.218   1.899  -7.962
  785    H    HIS 110           H        HIS 110   0.019   3.059 -10.504
  786    HA   HIS 110           HA       HIS 110   0.546   2.243 -12.580
  787   1HB   HIS 110          1HB       HIS 110  -1.930   0.480 -12.401
  788   2HB   HIS 110          2HB       HIS 110  -0.287   0.113 -13.081
  789    HD1  HIS 110           HD1      HIS 110   1.244   1.035 -10.488
  790    HD2  HIS 110           HD2      HIS 110  -1.947  -1.661 -10.619
  791    HE1  HIS 110           HE1      HIS 110   1.466  -0.443  -8.389
  792    HA   PRO 111           HA       PRO 111  -2.392   4.773 -14.922
  793   1HB   PRO 111          1HB       PRO 111  -0.679   6.739 -15.661
  794   2HB   PRO 111          2HB       PRO 111  -1.314   6.643 -13.986
  795   1HG   PRO 111          1HG       PRO 111   1.596   5.802 -14.865
  796   2HG   PRO 111          2HG       PRO 111   0.777   6.531 -13.446
  797   1HD   PRO 111          1HD       PRO 111   1.369   3.696 -14.033
  798   2HD   PRO 111          2HD       PRO 111   0.691   4.406 -12.536
  799    H    SER 112           H        SER 112  -2.714   4.712 -17.211
  800    HA   SER 112           HA       SER 112  -0.788   4.554 -19.084
  801   1HB   SER 112          1HB       SER 112  -1.287   1.867 -19.490
  802   2HB   SER 112          2HB       SER 112   0.177   2.521 -18.784
  803    HG   SER 112           HG       SER 112  -0.333   1.551 -16.955

  No H/Q in entry =         803