*HEADER    TOXIN                                   19-DEC-05   2CA7
*TITLE     CONKUNITZIN-S1 IS THE FIRST MEMBER OF A NEW KUNITZ-TYPE
*TITLE    2 NEUROTOXIN FAMILY- STRUCTURAL AND FUNCTIONAL
*TITLE    3 CHARACTERIZATION
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: CONKUNITZIN-S1;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES;
*COMPND   5 OTHER_DETAILS: DISULFIDE BONDS BETWEEN C7-C57 AND C32-C53
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: PTWIN1;
*SOURCE   5 ORGANISM_SCIENTIFIC: CONUS STRIATUS
*KEYWDS    CONKUNITZIN, NEUROTOXIN, TOXIN, KUNITZ-TYPE FOLD,
*KEYWDS   2 POTASSIUM CHANNEL INHIBITOR, KUNITZ-DOMAIN
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    M.BAYRHUBER,V.VIJAYAN,M FERBER,R.GRAF,J.KORUKOTTU,
*AUTHOR   2 J.IMPERIAL,J.E.GARRETT,B.M.OLIVERA,H.TERLAU,M.ZWECKSTETTER,
*AUTHOR   3 S.BECKER
*REVDAT   1   05-JAN-06 2CA7    0

assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HA) 2.547 0.778 0.778 ! spec=13C Noesy, no=69, id=7
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   22 and name  HG2) 3.550 1.512 1.512 ! spec=13C Noesy, no=72, id=9
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   44 and name   HN) 3.927 1.850 1.850 ! spec=13C Noesy, no=73, id=10
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN) 3.465 1.441 1.441 ! spec=13C Noesy, no=75, id=11
assign (segid "    " and resid   48 and name  HG1) (segid "    " and resid   22 and name  HD2) 2.192 0.577 0.577 ! spec=13C Noesy, no=104, id=16
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   24 and name  HB2) 3.535 1.499 1.499 ! spec=13C Noesy, no=105, id=17
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   17 and name  HG1) 3.579 1.537 1.537 ! spec=13C Noesy, no=106, id=18
assign (segid "    " and resid   48 and name  HG1) (segid "    " and resid   48 and name   HN) 3.105 1.157 1.157 ! spec=13C Noesy, no=110, id=20
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   52 and name  HB2) 3.827 1.758 1.758 ! spec=13C Noesy, no=125, id=26
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   49 and name   HN) 3.145 1.187 1.187 ! spec=13C Noesy, no=126, id=27
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   23 and name HG11) 4.387 2.310 2.310 ! spec=13C Noesy, no=127, id=28
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid   54 and name   HN) 2.618 0.823 0.823 ! spec=13C Noesy, no=141, id=34
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name  HB2) 2.064 0.511 0.511 ! spec=13C Noesy, no=149, id=36
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name   HN) 2.050 0.504 0.504 ! spec=13C Noesy, no=152, id=38
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   22 and name  HG2) 3.907 1.832 1.832 ! spec=13C Noesy, no=178, id=41
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   52 and name  HB1) 3.325 1.327 1.327 ! spec=13C Noesy, no=179, id=42
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   52 and name   HA) 3.881 1.808 1.808 ! spec=13C Noesy, no=187, id=45
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HE2) 3.441 1.421 1.421 ! spec=13C Noesy, no=188, id=46
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   11 and name  HB2) 3.564 1.525 1.525 ! spec=13C Noesy, no=192, id=48
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   11 and name  HB3)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   11 and name   HA) 3.746 1.684 1.684 ! spec=13C Noesy, no=198, id=52
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   33 and name  HB1) 3.972 1.893 1.893 ! spec=13C Noesy, no=199, id=53
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   57 and name  HB2) 2.245 0.605 0.605 ! spec=13C Noesy, no=201, id=55
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   57 and name   HA) 3.278 1.290 1.290 ! spec=13C Noesy, no=204, id=58
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name  HD1) 2.392 0.687 0.687 ! spec=13C Noesy, no=207, id=61
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   11 and name  HB2) 3.291 1.299 1.299 ! spec=13C Noesy, no=219, id=68
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   11 and name  HB1)
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   11 and name  HB3)
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   54 and name  HB2) 3.402 1.389 1.389 ! spec=13C Noesy, no=220, id=69
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    4 and name   HA) 4.303 2.222 2.222 ! spec=13C Noesy, no=222, id=71
assign (segid "    " and resid    1 and name  HE2) (segid "    " and resid    1 and name   HA) 3.844 1.774 1.774 ! spec=13C Noesy, no=239, id=81
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    5 and name   HA) 3.846 1.775 1.775 ! spec=13C Noesy, no=242, id=83
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name  HB2) 3.467 1.442 1.442 ! spec=13C Noesy, no=247, id=84
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   53 and name   HA) 3.343 1.341 1.341 ! spec=13C Noesy, no=249, id=85
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   37 and name  HB1) 4.900 2.882 2.882 ! spec=13C Noesy, no=259, id=92
assign (segid "    " and resid   55 and name  HD2) (segid "    " and resid   55 and name   HA) 3.841 1.770 1.770 ! spec=13C Noesy, no=262, id=95
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name   HN) 2.579 0.798 0.798 ! spec=13C Noesy, no=266, id=96
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name   HA) 2.870 0.988 0.988 ! spec=13C Noesy, no=267, id=97
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   55 and name  HD1) 3.334 1.334 1.334 ! spec=13C Noesy, no=268, id=98
assign (segid "    " and resid   40 and name  HG2) (segid "    " and resid   15 and name  HB2) 3.307 1.313 1.313 ! spec=13C Noesy, no=278, id=104
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   22 and name  HG2) 3.736 1.675 1.675 ! spec=13C Noesy, no=288, id=107
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    7 and name   HN) 3.673 1.619 1.619 ! spec=13C Noesy, no=291, id=110
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    6 and name   HG) 2.774 0.923 0.923 ! spec=13C Noesy, no=314, id=121
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   51 and name  HB2) 3.397 1.385 1.385 ! spec=13C Noesy, no=318, id=124
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   51 and name  HB1) 2.028 0.493 0.493 ! spec=13C Noesy, no=321, id=126
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   43 and name  HB1) 3.575 1.534 1.534 ! spec=13C Noesy, no=327, id=128
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN) 3.621 1.574 1.574 ! spec=13C Noesy, no=333, id=134
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name  HB1) 2.141 0.550 0.550 ! spec=13C Noesy, no=364, id=139
assign (segid "    " and resid   58 and name   HG) (segid "    " and resid   58 and name   HA) 3.348 1.345 1.345 ! spec=13C Noesy, no=370, id=140
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   58 and name   HA) 3.682 1.627 1.627 ! spec=13C Noesy, no=392, id=142
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name  HG2) 3.519 1.486 1.486 ! spec=13C Noesy, no=398, id=144
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   54 and name  HG2) 3.750 1.687 1.687 ! spec=13C Noesy, no=419, id=145
assign (segid "    " and resid   49 and name  HG2) (segid "    " and resid   52 and name   HN) 3.125 1.172 1.172 ! spec=13C Noesy, no=519, id=147
assign (segid "    " and resid   18 and name  HD2) (segid "    " and resid   18 and name   HA) 1.955 0.459 0.459 ! spec=13C Noesy, no=520, id=148
assign (segid "    " and resid   48 and name  HG2) (segid "    " and resid   48 and name   HN) 2.752 0.909 0.909 ! spec=13C Noesy, no=522, id=149
assign (segid "    " and resid   49 and name  HG2) (segid "    " and resid   49 and name   HN) 2.090 0.524 0.524 ! spec=13C Noesy, no=526, id=151
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name  HD1) 1.920 0.442 0.442 ! spec=13C Noesy, no=527, id=152
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HN) 2.913 1.019 1.019 ! spec=13C Noesy, no=528, id=153
assign (segid "    " and resid   48 and name  HG2) (segid "    " and resid   52 and name  HB2) 3.962 1.884 1.884 ! spec=13C Noesy, no=534, id=156
assign (segid "    " and resid   40 and name  HB2) (segid "    " and resid   40 and name  HG2) 3.413 1.398 1.398 ! spec=13C Noesy, no=557, id=162
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HE2) 2.716 0.886 0.886 ! spec=13C Noesy, no=563, id=164
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   31 and name  HG2) 2.901 1.010 1.010 ! spec=13C Noesy, no=566, id=166
assign (segid "    " and resid   40 and name  HB2) (segid "    " and resid   40 and name   HA) 2.634 0.832 0.832 ! spec=13C Noesy, no=591, id=169
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   33 and name  HB2) 1.885 0.427 0.427 ! spec=13C Noesy, no=622, id=178
assign (segid "    " and resid   29 and name  HG2) (segid "    " and resid   29 and name   HA) 2.425 0.706 0.706 ! spec=13C Noesy, no=638, id=180
assign (segid "    " and resid   29 and name  HG2) (segid "    " and resid   29 and name   HN) 2.422 0.704 0.704 ! spec=13C Noesy, no=640, id=181
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   54 and name  HG2) 3.573 1.532 1.532 ! spec=13C Noesy, no=643, id=182
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   33 and name   HA) 4.025 1.944 1.944 ! spec=13C Noesy, no=663, id=184
assign (segid "    " and resid   14 and name  HA1) (segid "    " and resid   15 and name   HN) 3.539 1.503 1.503 ! spec=13C Noesy, no=681, id=187
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   49 and name   HN) 2.591 0.806 0.806 ! spec=13C Noesy, no=692, id=188
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   46 and name   HA) 3.348 1.345 1.345 ! spec=13C Noesy, no=698, id=189
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   58 and name   HG) 3.174 1.209 1.209 ! spec=13C Noesy, no=704, id=191
assign (segid "    " and resid   16 and name  HA1) (segid "    " and resid   15 and name   HA) 3.200 1.229 1.229 ! spec=13C Noesy, no=791, id=195
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   49 and name   HA) 3.538 1.502 1.502 ! spec=13C Noesy, no=798, id=199
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HA) 3.619 1.572 1.572 ! spec=13C Noesy, no=835, id=205
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   24 and name   HA) 4.020 1.939 1.939 ! spec=13C Noesy, no=869, id=218
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   34 and name   HA) 4.812 2.778 2.778 ! spec=13C Noesy, no=871, id=219
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   27 and name  HB2) 4.234 2.151 2.151 ! spec=13C Noesy, no=876, id=221
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HB1) 1.939 0.451 0.451 ! spec=13C Noesy, no=884, id=222
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   58 and name   HA) 4.086 2.004 2.004 ! spec=13C Noesy, no=892, id=225
assign (segid "    " and resid   39 and name  HA1) (segid "    " and resid   15 and name  HB2) 4.644 2.588 2.588 ! spec=13C Noesy, no=1143, id=230
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   45 and name  HB2) 3.859 1.787 1.787 ! spec=13C Noesy, no=1144, id=231
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   45 and name   HN) 3.435 1.416 1.416 ! spec=13C Noesy, no=1146, id=233
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   32 and name  HB1) 3.874 1.801 1.801 ! spec=13C Noesy, no=1149, id=234
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   35 and name  HB1) 4.071 1.989 1.989 ! spec=13C Noesy, no=1150, id=235
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   20 and name   HA) 4.587 2.524 2.524 ! spec=13C Noesy, no=1169, id=242
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   53 and name   HN) 3.274 1.286 1.286 ! spec=13C Noesy, no=1176, id=246
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   47 and name  HB2) 2.114 0.536 0.536 ! spec=13C Noesy, no=1178, id=248
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   55 and name  HD1) 3.561 1.522 1.522 ! spec=13C Noesy, no=1179, id=249
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   44 and name   HN) 3.761 1.697 1.697 ! spec=13C Noesy, no=1206, id=254
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   10 and name  HD2) 2.121 0.540 0.540 ! spec=13C Noesy, no=1220, id=261
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name  HA1) 3.870 1.797 1.797 ! spec=13C Noesy, no=1245, id=265
assign (segid "    " and resid   30 and name  HE2) (segid "    " and resid   57 and name   HA) 5.379 3.472 3.472 ! spec=13C Noesy, no=1250, id=267
assign (segid "    " and resid   55 and name  HD1) (segid "    " and resid   52 and name   HA) 4.570 2.506 2.506 ! spec=13C Noesy, no=1252, id=269
assign (segid "    " and resid   55 and name  HD1) (segid "    " and resid   55 and name   HA) 3.713 1.655 1.655 ! spec=13C Noesy, no=1262, id=273
assign (segid "    " and resid   34 and name  HD2) (segid "    " and resid   34 and name   HN) 4.030 1.949 1.949 ! spec=13C Noesy, no=1301, id=282
assign (segid "    " and resid   45 and name  HB1) (segid "    " and resid   45 and name   HA) 2.670 0.856 0.856 ! spec=13C Noesy, no=1302, id=283
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name  HB2) 1.960 0.461 0.461 ! spec=13C Noesy, no=1303, id=284
assign (segid "    " and resid   45 and name  HB2) (segid "    " and resid   45 and name  HB1) 1.932 0.448 0.448 ! spec=13C Noesy, no=1330, id=294
assign (segid "    " and resid   45 and name  HB1) (segid "    " and resid   47 and name  HE1) 3.382 1.372 1.372 ! spec=13C Noesy, no=1337, id=299
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   32 and name   HA) 4.578 2.515 2.515 ! spec=13C Noesy, no=1342, id=302
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB2) 2.550 0.780 0.780 ! spec=13C Noesy, no=1369, id=308
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   56 and name   HN) 2.766 0.918 0.918 ! spec=13C Noesy, no=1399, id=319
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   30 and name  HE2) 3.759 1.696 1.696 ! spec=13C Noesy, no=1428, id=324
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   43 and name  HB1) 4.058 1.977 1.977 ! spec=13C Noesy, no=1486, id=335
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HA) 3.017 1.093 1.093 ! spec=13C Noesy, no=1506, id=340
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HA) 2.562 0.788 0.788 ! spec=13C Noesy, no=1507, id=341
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    6 and name HD22) 3.048 1.115 1.115 ! spec=13C Noesy, no=1512, id=346
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid    6 and name HD21)
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid    6 and name HD23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB2) 2.590 0.805 0.805 ! spec=13C Noesy, no=1513, id=347
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    6 and name   HN) 3.651 1.600 1.600 ! spec=13C Noesy, no=1514, id=348
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name  HB1) 1.864 0.417 0.417 ! spec=13C Noesy, no=1517, id=351
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    4 and name  HB2) 3.255 1.271 1.271 ! spec=13C Noesy, no=1522, id=355
assign (segid "    " and resid    4 and name  HD1) (segid "    " and resid    4 and name  HB2) 3.102 1.155 1.155 ! spec=13C Noesy, no=1526, id=359
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name HD11) 2.491 0.744 0.744 ! spec=13C Noesy, no=1539, id=370
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HA) 2.593 0.807 0.807 ! spec=13C Noesy, no=1541, id=372
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name HD11) 1.729 0.359 0.359 ! spec=13C Noesy, no=1542, id=373
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.387 0.684 0.684 ! spec=13C Noesy, no=1544, id=375
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid   57 and name  HB1) 1.981 0.471 0.471 ! spec=13C Noesy, no=1546, id=377
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN) 2.836 0.965 0.965 ! spec=13C Noesy, no=1547, id=378
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA) 2.628 0.829 0.829 ! spec=13C Noesy, no=1548, id=379
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB2) 2.411 0.698 0.698 ! spec=13C Noesy, no=1556, id=386
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN) 2.804 0.943 0.943 ! spec=13C Noesy, no=1557, id=387
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB1) 2.032 0.496 0.496 ! spec=13C Noesy, no=1558, id=388
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB2) 2.461 0.727 0.727 ! spec=13C Noesy, no=1564, id=394
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name  HD2) 2.008 0.484 0.484 ! spec=13C Noesy, no=1568, id=398
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB1) 2.566 0.790 0.790 ! spec=13C Noesy, no=1569, id=399
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name  HD1) 2.808 0.946 0.946 ! spec=13C Noesy, no=1570, id=400
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   10 and name  HD1) 3.672 1.618 1.618 ! spec=13C Noesy, no=1580, id=410
assign (segid "    " and resid   10 and name  HD1) (segid "    " and resid   10 and name  HG2) 2.469 0.731 0.731 ! spec=13C Noesy, no=1581, id=411
assign (segid "    " and resid   10 and name  HG2) (segid "    " and resid   10 and name  HD2) 2.541 0.775 0.775 ! spec=13C Noesy, no=1583, id=413
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.419 0.702 0.702 ! spec=13C Noesy, no=1586, id=416
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB2) 2.721 0.888 0.888 ! spec=13C Noesy, no=1592, id=422
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name  HB1) 2.095 0.527 0.527 ! spec=13C Noesy, no=1593, id=423
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   14 and name  HA1) 3.797 1.730 1.730 ! spec=13C Noesy, no=1595, id=425
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HA) 2.978 1.065 1.065 ! spec=13C Noesy, no=1597, id=427
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   42 and name  HA2) 2.836 0.965 0.965 ! spec=13C Noesy, no=1598, id=428
assign (segid "    " and resid   14 and name  HA2) (segid "    " and resid   14 and name   HN) 1.815 0.396 0.396 ! spec=13C Noesy, no=1600, id=430
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HA) 2.669 0.855 0.855 ! spec=13C Noesy, no=1606, id=433
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HB1) 2.108 0.533 0.533 ! spec=13C Noesy, no=1608, id=434
assign (segid "    " and resid   16 and name  HA2) (segid "    " and resid   40 and name  HG2) 3.467 1.442 1.442 ! spec=13C Noesy, no=1610, id=436
assign (segid "    " and resid   16 and name  HA2) (segid "    " and resid   18 and name   HN) 3.251 1.268 1.268 ! spec=13C Noesy, no=1615, id=440
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HB) 2.325 0.649 0.649 ! spec=13C Noesy, no=1620, id=444
assign (segid "    " and resid   17 and name  HG1) (segid "    " and resid   15 and name  HB2) 4.077 1.994 1.994 ! spec=13C Noesy, no=1624, id=447
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HN) 2.779 0.927 0.927 ! spec=13C Noesy, no=1627, id=450
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 2.921 1.024 1.024 ! spec=13C Noesy, no=1628, id=451
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   18 and name  HB1) 2.663 0.851 0.851 ! spec=13C Noesy, no=1629, id=452
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 3.441 1.421 1.421 ! spec=13C Noesy, no=1631, id=454
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.425 0.706 0.706 ! spec=13C Noesy, no=1637, id=457
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.915 1.020 1.020 ! spec=13C Noesy, no=1642, id=462
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.575 0.796 0.796 ! spec=13C Noesy, no=1644, id=464
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name   HN) 3.247 1.265 1.265 ! spec=13C Noesy, no=1645, id=465
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name   HA) 3.286 1.296 1.296 ! spec=13C Noesy, no=1646, id=466
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HA) 3.424 1.407 1.407 ! spec=13C Noesy, no=1648, id=468
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB2) 2.417 0.701 0.701 ! spec=13C Noesy, no=1652, id=472
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HB1) 3.046 1.113 1.113 ! spec=13C Noesy, no=1653, id=473
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name   HA) 3.111 1.161 1.161 ! spec=13C Noesy, no=1654, id=474
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HA) 2.974 1.062 1.062 ! spec=13C Noesy, no=1660, id=480
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HG2) 2.474 0.734 0.734 ! spec=13C Noesy, no=1663, id=482
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 2.854 0.978 0.978 ! spec=13C Noesy, no=1664, id=483
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   37 and name  HB1) 2.832 0.962 0.962 ! spec=13C Noesy, no=1665, id=484
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HA) 1.985 0.473 0.473 ! spec=13C Noesy, no=1667, id=486
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HB1) 2.133 0.546 0.546 ! spec=13C Noesy, no=1668, id=487
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   23 and name   HN) 2.555 0.784 0.784 ! spec=13C Noesy, no=1671, id=490
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   47 and name   HN) 3.665 1.612 1.612 ! spec=13C Noesy, no=1672, id=491
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   23 and name   HN) 3.542 1.505 1.505 ! spec=13C Noesy, no=1674, id=492
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name   HA) 2.763 0.916 0.916 ! spec=13C Noesy, no=1676, id=493
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD2) 1.702 0.348 0.348 ! spec=13C Noesy, no=1677, id=494
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   48 and name   HA) 3.011 1.088 1.088 ! spec=13C Noesy, no=1680, id=497
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   48 and name  HB1) 3.592 1.548 1.548 ! spec=13C Noesy, no=1683, id=499
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   23 and name   HN) 3.883 1.809 1.809 ! spec=13C Noesy, no=1684, id=500
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name   HA) 2.579 0.798 0.798 ! spec=13C Noesy, no=1685, id=501
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name  HD1) 2.867 0.986 0.986 ! spec=13C Noesy, no=1686, id=502
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   22 and name  HG2) 2.633 0.832 0.832 ! spec=13C Noesy, no=1687, id=503
assign (segid "    " and resid   22 and name  HD1) (segid "    " and resid   48 and name   HA) 2.844 0.970 0.970 ! spec=13C Noesy, no=1689, id=505
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HA) 2.832 0.962 0.962 ! spec=13C Noesy, no=1694, id=509
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name  HB1) 2.291 0.630 0.630 ! spec=13C Noesy, no=1695, id=510
assign (segid "    " and resid   22 and name  HD2) (segid "    " and resid   22 and name  HG2) 2.545 0.777 0.777 ! spec=13C Noesy, no=1696, id=511
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   23 and name   HN) 3.207 1.234 1.234 ! spec=13C Noesy, no=1698, id=513
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   37 and name  HB1) 2.425 0.706 0.706 ! spec=13C Noesy, no=1699, id=514
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HN) 3.134 1.178 1.178 ! spec=13C Noesy, no=1702, id=517
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name   HB) 2.555 0.784 0.784 ! spec=13C Noesy, no=1704, id=518
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name HD11) 2.464 0.728 0.728 ! spec=13C Noesy, no=1705, id=519
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name HG11) 2.711 0.882 0.882 ! spec=13C Noesy, no=1707, id=521
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name HG21) 2.354 0.665 0.665 ! spec=13C Noesy, no=1708, id=522
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   35 and name   HN) 3.043 1.111 1.111 ! spec=13C Noesy, no=1710, id=524
assign (segid "    " and resid   23 and name   HB) (segid "    " and resid   23 and name HD11) 3.024 1.098 1.098 ! spec=13C Noesy, no=1714, id=527
assign (segid "    " and resid   23 and name   HB) (segid "    " and resid   23 and name HG12) 2.501 0.751 0.751 ! spec=13C Noesy, no=1715, id=528
assign (segid "    " and resid   23 and name   HB) (segid "    " and resid   23 and name HG21) 2.497 0.748 0.748 ! spec=13C Noesy, no=1716, id=529
assign (segid "    " and resid   23 and name HG12) (segid "    " and resid   23 and name   HN) 3.429 1.411 1.411 ! spec=13C Noesy, no=1720, id=533
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name HG12) 2.933 1.033 1.033 ! spec=13C Noesy, no=1721, id=534
assign (segid "    " and resid   23 and name HG11) (segid "    " and resid   23 and name HD11) 2.585 0.802 0.802 ! spec=13C Noesy, no=1724, id=537
assign (segid "    " and resid   23 and name HG21) (segid "    " and resid   32 and name   HA) 3.113 1.163 1.163 ! spec=13C Noesy, no=1728, id=541
assign (segid "    " and resid   23 and name HG21) (segid "    " and resid   53 and name   HN) 3.735 1.674 1.674 ! spec=13C Noesy, no=1734, id=544
assign (segid "    " and resid   23 and name HG21) (segid "    " and resid   47 and name  HD1) 2.958 1.050 1.050 ! spec=13C Noesy, no=1735, id=545
assign (segid "    " and resid   23 and name HG21) (segid "    " and resid   24 and name  HD1) 3.878 1.804 1.804 ! spec=13C Noesy, no=1736, id=546
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name  HB1) 3.278 1.290 1.290 ! spec=13C Noesy, no=1742, id=552
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   47 and name  HE1) 3.413 1.398 1.398 ! spec=13C Noesy, no=1743, id=553
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   23 and name HG21) 3.362 1.357 1.357 ! spec=13C Noesy, no=1744, id=554
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name   HN) 2.863 0.984 0.984 ! spec=13C Noesy, no=1745, id=555
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HD1) 3.357 1.353 1.353 ! spec=13C Noesy, no=1747, id=557
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   34 and name   HN) 3.862 1.790 1.790 ! spec=13C Noesy, no=1749, id=559
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 4.121 2.038 2.038 ! spec=13C Noesy, no=1750, id=560
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB2) 2.183 0.572 0.572 ! spec=13C Noesy, no=1751, id=561
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HE1) 3.582 1.540 1.540 ! spec=13C Noesy, no=1753, id=563
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HN) 3.286 1.296 1.296 ! spec=13C Noesy, no=1754, id=564
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN) 3.274 1.286 1.286 ! spec=13C Noesy, no=1756, id=566
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HA) 2.167 0.563 0.563 ! spec=13C Noesy, no=1757, id=567
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HD1) 1.968 0.465 0.465 ! spec=13C Noesy, no=1758, id=568
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HE1) 3.055 1.120 1.120 ! spec=13C Noesy, no=1759, id=569
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN) 3.387 1.377 1.377 ! spec=13C Noesy, no=1760, id=570
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   23 and name   HA) 3.650 1.598 1.598 ! spec=13C Noesy, no=1761, id=571
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   35 and name  HB1) 2.825 0.957 0.957 ! spec=13C Noesy, no=1762, id=572
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name   HN) 2.893 1.004 1.004 ! spec=13C Noesy, no=1768, id=575
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HD1) 2.546 0.778 0.778 ! spec=13C Noesy, no=1769, id=576
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   25 and name   HN) 4.467 2.394 2.394 ! spec=13C Noesy, no=1770, id=577
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   34 and name   HN) 3.046 1.113 1.113 ! spec=13C Noesy, no=1771, id=578
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   33 and name   HN) 3.321 1.323 1.323 ! spec=13C Noesy, no=1778, id=585
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   57 and name  HB1) 3.316 1.320 1.320 ! spec=13C Noesy, no=1779, id=586
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HB2) 1.808 0.392 0.392 ! spec=13C Noesy, no=1784, id=590
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name  HB1) 2.449 0.720 0.720 ! spec=13C Noesy, no=1789, id=594
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   26 and name   HN) 3.251 1.268 1.268 ! spec=13C Noesy, no=1790, id=595
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   33 and name  HB1) 3.946 1.868 1.868 ! spec=13C Noesy, no=1794, id=598
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   33 and name  HB2) 3.070 1.131 1.131 ! spec=13C Noesy, no=1798, id=601
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HA) 3.627 1.579 1.579 ! spec=13C Noesy, no=1800, id=603
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   29 and name  HB2) 2.808 0.946 0.946 ! spec=13C Noesy, no=1802, id=605
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   33 and name HD11) 2.839 0.967 0.967 ! spec=13C Noesy, no=1803, id=606
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   33 and name  HB1) 3.876 1.803 1.803 ! spec=13C Noesy, no=1805, id=607
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 2.648 0.841 0.841 ! spec=13C Noesy, no=1808, id=610
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HA) 2.780 0.927 0.927 ! spec=13C Noesy, no=1809, id=611
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HB1) 1.933 0.448 0.448 ! spec=13C Noesy, no=1810, id=612
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   29 and name  HB2) 1.779 0.380 0.380 ! spec=13C Noesy, no=1811, id=613
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   33 and name HD11) 2.740 0.901 0.901 ! spec=13C Noesy, no=1812, id=614
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   30 and name   HN) 3.108 1.159 1.159 ! spec=13C Noesy, no=1816, id=616
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name   HN) 3.161 1.199 1.199 ! spec=13C Noesy, no=1822, id=620
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   30 and name  HE2) 3.521 1.488 1.488 ! spec=13C Noesy, no=1823, id=621
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB1) 2.223 0.593 0.593 ! spec=13C Noesy, no=1825, id=623
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name   HN) 2.709 0.881 0.881 ! spec=13C Noesy, no=1840, id=638
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HB1) 2.548 0.779 0.779 ! spec=13C Noesy, no=1842, id=640
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   33 and name HD12) 3.334 1.334 1.334 ! spec=13C Noesy, no=1844, id=642
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   31 and name  HG2) 3.462 1.438 1.438 ! spec=13C Noesy, no=1845, id=643
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HB2) 2.436 0.712 0.712 ! spec=13C Noesy, no=1848, id=646
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HD2) 2.873 0.990 0.990 ! spec=13C Noesy, no=1850, id=648
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   33 and name HD12) 3.943 1.866 1.866 ! spec=13C Noesy, no=1852, id=650
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name   HN) 2.847 0.972 0.972 ! spec=13C Noesy, no=1853, id=651
assign (segid "    " and resid   29 and name  HB1) (segid "    " and resid   29 and name  HD2) 2.767 0.919 0.919 ! spec=13C Noesy, no=1855, id=653
assign (segid "    " and resid   30 and name   CA) (segid "    " and resid   30 and name   HN) 2.375 0.677 0.677 ! spec=13C Noesy, no=1856, id=654
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB2) 2.361 0.669 0.669 ! spec=13C Noesy, no=1857, id=655
assign (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA) 2.336 0.655 0.655 ! spec=13C Noesy, no=1858, id=656
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HG2) 2.589 0.804 0.804 ! spec=13C Noesy, no=1859, id=657
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HG2) 2.585 0.802 0.802 ! spec=13C Noesy, no=1862, id=660
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HB2) 3.377 1.368 1.368 ! spec=13C Noesy, no=1870, id=668
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   33 and name HD11) 2.851 0.975 0.975 ! spec=13C Noesy, no=1871, id=669
assign (segid "    " and resid   31 and name  HG2) (segid "    " and resid   33 and name HD12) 3.372 1.364 1.364 ! spec=13C Noesy, no=1874, id=672
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HG2) 2.308 0.639 0.639 ! spec=13C Noesy, no=1875, id=673
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   26 and name   HN) 2.796 0.938 0.938 ! spec=13C Noesy, no=1877, id=674
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name   HN) 2.991 1.074 1.074 ! spec=13C Noesy, no=1878, id=675
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB2) 2.905 1.012 1.012 ! spec=13C Noesy, no=1879, id=676
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB1) 2.663 0.851 0.851 ! spec=13C Noesy, no=1880, id=677
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name   HN) 2.242 0.603 0.603 ! spec=13C Noesy, no=1881, id=678
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   58 and name   HG) 2.985 1.069 1.069 ! spec=13C Noesy, no=1882, id=679
assign (segid "    " and resid   32 and name  HB1) (segid "    " and resid   32 and name   HN) 2.812 0.949 0.949 ! spec=13C Noesy, no=1888, id=685
assign (segid "    " and resid   32 and name  HB1) (segid "    " and resid   33 and name   HN) 3.362 1.357 1.357 ! spec=13C Noesy, no=1890, id=687
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   24 and name  HE1) 3.020 1.094 1.094 ! spec=13C Noesy, no=1892, id=688
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   33 and name   HG) 2.147 0.553 0.553 ! spec=13C Noesy, no=1893, id=689
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   33 and name   HA) 2.903 1.011 1.011 ! spec=13C Noesy, no=1895, id=691
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   33 and name HD11) 2.478 0.737 0.737 ! spec=13C Noesy, no=1896, id=692
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   33 and name   HG) 2.827 0.959 0.959 ! spec=13C Noesy, no=1898, id=694
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   24 and name  HE1) 3.020 1.094 1.094 ! spec=13C Noesy, no=1899, id=695
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   33 and name   HN) 2.976 1.063 1.063 ! spec=13C Noesy, no=1900, id=696
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   33 and name   HA) 2.722 0.889 0.889 ! spec=13C Noesy, no=1901, id=697
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   33 and name HD11) 2.433 0.710 0.710 ! spec=13C Noesy, no=1902, id=698
assign (segid "    " and resid   33 and name HD11) (segid "    " and resid   34 and name   HN) 3.270 1.283 1.283 ! spec=13C Noesy, no=1905, id=700
assign (segid "    " and resid   33 and name HD11) (segid "    " and resid   31 and name   HA) 3.751 1.688 1.688 ! spec=13C Noesy, no=1907, id=701
assign (segid "    " and resid   33 and name HD11) (segid "    " and resid   33 and name   HA) 2.554 0.783 0.783 ! spec=13C Noesy, no=1909, id=703
assign (segid "    " and resid   33 and name HD11) (segid "    " and resid   29 and name  HD2) 4.282 2.200 2.200 ! spec=13C Noesy, no=1911, id=705
assign (segid "    " and resid   33 and name HD11) (segid "    " and resid   34 and name  HD2) 4.289 2.208 2.208 ! spec=13C Noesy, no=1912, id=706
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   33 and name  HB2) 3.134 1.178 1.178 ! spec=13C Noesy, no=1916, id=707
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   23 and name HG22) 3.981 1.902 1.902 ! spec=13C Noesy, no=1917, id=708
    or (segid "    " and resid   34 and name   HA) (segid "    " and resid   23 and name HG21)
    or (segid "    " and resid   34 and name   HA) (segid "    " and resid   23 and name HG23)
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   35 and name  HB1) 3.783 1.717 1.717 ! spec=13C Noesy, no=1918, id=709
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   23 and name HD11) 2.708 0.880 0.880 ! spec=13C Noesy, no=1920, id=711
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   24 and name   HN) 3.321 1.323 1.323 ! spec=13C Noesy, no=1921, id=712
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name  HB2) 2.112 0.535 0.535 ! spec=13C Noesy, no=1926, id=717
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name   HN) 2.092 0.525 0.525 ! spec=13C Noesy, no=1929, id=720
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   34 and name  HD2) 1.922 0.443 0.443 ! spec=13C Noesy, no=1931, id=722
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   34 and name   HN) 3.382 1.372 1.372 ! spec=13C Noesy, no=1933, id=724
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   23 and name HD11) 3.446 1.425 1.425 ! spec=13C Noesy, no=1934, id=725
assign (segid "    " and resid   34 and name  HG2) (segid "    " and resid   34 and name   HA) 2.945 1.041 1.041 ! spec=13C Noesy, no=1935, id=726
assign (segid "    " and resid   34 and name  HG1) (segid "    " and resid   34 and name   HA) 3.081 1.139 1.139 ! spec=13C Noesy, no=1936, id=727
assign (segid "    " and resid   34 and name  HD2) (segid "    " and resid   34 and name  HG1) 2.212 0.587 0.587 ! spec=13C Noesy, no=1937, id=728
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name  HD1) 2.354 0.665 0.665 ! spec=13C Noesy, no=1940, id=731
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   11 and name  HB1) 3.408 1.394 1.394 ! spec=13C Noesy, no=1941, id=732
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   24 and name  HE1) 2.769 0.920 0.920 ! spec=13C Noesy, no=1942, id=733
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name   HA) 1.831 0.402 0.402 ! spec=13C Noesy, no=1943, id=734
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   35 and name  HD1) 2.535 0.771 0.771 ! spec=13C Noesy, no=1945, id=736
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   11 and name  HB1) 3.517 1.484 1.484 ! spec=13C Noesy, no=1946, id=737
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name   HN) 2.160 0.560 0.560 ! spec=13C Noesy, no=1951, id=742
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name   HA) 1.868 0.419 0.419 ! spec=13C Noesy, no=1952, id=743
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HB1) 2.356 0.666 0.666 ! spec=13C Noesy, no=1954, id=745
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name   HN) 2.725 0.891 0.891 ! spec=13C Noesy, no=1958, id=749
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   22 and name  HB2) 3.022 1.096 1.096 ! spec=13C Noesy, no=1962, id=753
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   37 and name   HN) 2.899 1.009 1.009 ! spec=13C Noesy, no=1964, id=755
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   37 and name   HA) 2.819 0.954 0.954 ! spec=13C Noesy, no=1965, id=756
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name   HA) 2.369 0.674 0.674 ! spec=13C Noesy, no=1972, id=763
assign (segid "    " and resid   39 and name  HA2) (segid "    " and resid   40 and name   HN) 2.618 0.823 0.823 ! spec=13C Noesy, no=1976, id=766
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   42 and name   HN) 2.533 0.770 0.770 ! spec=13C Noesy, no=1988, id=776
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name  HB2) 2.804 0.943 0.943 ! spec=13C Noesy, no=1991, id=777
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name  HB1) 2.577 0.797 0.797 ! spec=13C Noesy, no=1992, id=778
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   44 and name   HN) 2.311 0.641 0.641 ! spec=13C Noesy, no=1996, id=781
assign (segid "    " and resid   43 and name  HB1) (segid "    " and resid   44 and name   HN) 2.336 0.655 0.655 ! spec=13C Noesy, no=1999, id=783
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   44 and name   HN) 2.759 0.913 0.913 ! spec=13C Noesy, no=2000, id=784
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name   HN) 2.231 0.597 0.597 ! spec=13C Noesy, no=2002, id=786
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   44 and name  HB2) 2.301 0.635 0.635 ! spec=13C Noesy, no=2004, id=788
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name   HA) 2.555 0.784 0.784 ! spec=13C Noesy, no=2009, id=793
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name   HA) 2.636 0.834 0.834 ! spec=13C Noesy, no=2013, id=797
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name  HB2) 2.367 0.672 0.672 ! spec=13C Noesy, no=2014, id=798
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   46 and name   HN) 2.952 1.046 1.046 ! spec=13C Noesy, no=2016, id=799
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   46 and name   HA) 2.802 0.942 0.942 ! spec=13C Noesy, no=2017, id=800
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   46 and name   HA) 2.921 1.024 1.024 ! spec=13C Noesy, no=2018, id=801
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   48 and name  HB2) 2.847 0.972 0.972 ! spec=13C Noesy, no=2020, id=802
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB1) 1.906 0.436 0.436 ! spec=13C Noesy, no=2022, id=804
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   48 and name   HN) 2.910 1.016 1.016 ! spec=13C Noesy, no=2023, id=805
assign (segid "    " and resid   23 and name   HB) (segid "    " and resid   47 and name  HB2) 2.891 1.003 1.003 ! spec=13C Noesy, no=2025, id=807
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name   HA) 2.676 0.860 0.860 ! spec=13C Noesy, no=2026, id=808
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   49 and name   HN) 2.469 0.731 0.731 ! spec=13C Noesy, no=2028, id=810
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name  HG2) 2.666 0.853 0.853 ! spec=13C Noesy, no=2032, id=814
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name  HB2) 2.233 0.599 0.599 ! spec=13C Noesy, no=2039, id=821
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   48 and name  HD2) 2.767 0.919 0.919 ! spec=13C Noesy, no=2040, id=822
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name   HN) 2.786 0.932 0.932 ! spec=13C Noesy, no=2041, id=823
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name  HB1) 2.371 0.675 0.675 ! spec=13C Noesy, no=2042, id=824
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name  HD2) 1.817 0.396 0.396 ! spec=13C Noesy, no=2043, id=825
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   48 and name  HG1) 2.790 0.934 0.934 ! spec=13C Noesy, no=2046, id=828
assign (segid "    " and resid   48 and name  HG2) (segid "    " and resid   48 and name  HD2) 2.428 0.708 0.708 ! spec=13C Noesy, no=2048, id=830
assign (segid "    " and resid   48 and name  HG1) (segid "    " and resid   48 and name   HA) 2.348 0.662 0.662 ! spec=13C Noesy, no=2049, id=831
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HB2) 2.438 0.714 0.714 ! spec=13C Noesy, no=2054, id=836
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name  HD2) 2.781 0.928 0.928 ! spec=13C Noesy, no=2055, id=837
assign (segid "    " and resid   49 and name  HB1) (segid "    " and resid   52 and name   HN) 2.739 0.900 0.900 ! spec=13C Noesy, no=2056, id=838
assign (segid "    " and resid   49 and name  HB1) (segid "    " and resid   49 and name   HN) 3.048 1.115 1.115 ! spec=13C Noesy, no=2057, id=839
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HB1) 2.453 0.722 0.722 ! spec=13C Noesy, no=2058, id=840
assign (segid "    " and resid   49 and name  HB1) (segid "    " and resid   49 and name  HD2) 2.815 0.951 0.951 ! spec=13C Noesy, no=2059, id=841
assign (segid "    " and resid   49 and name  HG2) (segid "    " and resid   49 and name   HA) 3.372 1.364 1.364 ! spec=13C Noesy, no=2060, id=842
assign (segid "    " and resid   49 and name  HG2) (segid "    " and resid   49 and name  HB2) 2.674 0.858 0.858 ! spec=13C Noesy, no=2061, id=843
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   49 and name   HA) 3.116 1.165 1.165 ! spec=13C Noesy, no=2062, id=844
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HD1) 2.710 0.881 0.881 ! spec=13C Noesy, no=2063, id=845
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HB2) 2.788 0.933 0.933 ! spec=13C Noesy, no=2066, id=848
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   52 and name   HN) 2.812 0.949 0.949 ! spec=13C Noesy, no=2068, id=850
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   54 and name  HB2) 2.623 0.826 0.826 ! spec=13C Noesy, no=2069, id=851
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   54 and name  HB1) 3.105 1.157 1.157 ! spec=13C Noesy, no=2070, id=852
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   54 and name  HB1) 3.330 1.330 1.330 ! spec=13C Noesy, no=2071, id=853
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   49 and name  HG1) 3.904 1.829 1.829 ! spec=13C Noesy, no=2072, id=854
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   51 and name  HD1) 2.374 0.676 0.676 ! spec=13C Noesy, no=2073, id=855
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   51 and name   CA) 2.883 0.997 0.997 ! spec=13C Noesy, no=2076, id=857
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   51 and name  HD1) 2.760 0.914 0.914 ! spec=13C Noesy, no=2078, id=859
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   49 and name  HB1) 3.499 1.469 1.469 ! spec=13C Noesy, no=2079, id=860
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name  HB1) 2.228 0.596 0.596 ! spec=13C Noesy, no=2081, id=862
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HB2) 2.147 0.553 0.553 ! spec=13C Noesy, no=2083, id=864
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   55 and name  HB2) 2.173 0.567 0.567 ! spec=13C Noesy, no=2085, id=866
assign (segid "    " and resid   52 and name  HB1) (segid "    " and resid   49 and name   HN) 2.798 0.940 0.940 ! spec=13C Noesy, no=2088, id=869
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HB1) 2.893 1.004 1.004 ! spec=13C Noesy, no=2089, id=870
assign (segid "    " and resid   52 and name  HB1) (segid "    " and resid   53 and name   HN) 2.567 0.791 0.791 ! spec=13C Noesy, no=2090, id=871
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   57 and name   HN) 3.078 1.137 1.137 ! spec=13C Noesy, no=2092, id=872
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name   HN) 2.943 1.039 1.039 ! spec=13C Noesy, no=2093, id=873
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HB2) 2.538 0.773 0.773 ! spec=13C Noesy, no=2095, id=875
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HB1) 2.747 0.905 0.905 ! spec=13C Noesy, no=2096, id=876
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   54 and name   HN) 3.889 1.815 1.815 ! spec=13C Noesy, no=2097, id=877
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   56 and name   HB) 3.180 1.214 1.214 ! spec=13C Noesy, no=2098, id=878
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   47 and name  HD1) 2.711 0.882 0.882 ! spec=13C Noesy, no=2100, id=880
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name   HN) 2.701 0.875 0.875 ! spec=13C Noesy, no=2101, id=881
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   54 and name   HN) 3.122 1.170 1.170 ! spec=13C Noesy, no=2102, id=882
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   23 and name HG21) 2.652 0.844 0.844 ! spec=13C Noesy, no=2106, id=886
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   54 and name   HN) 2.770 0.921 0.921 ! spec=13C Noesy, no=2108, id=888
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   58 and name   HA) 3.955 1.877 1.877 ! spec=13C Noesy, no=2110, id=890
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   58 and name HD22) 2.857 0.980 0.980 ! spec=13C Noesy, no=2111, id=891
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   58 and name HD21)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   58 and name HD23)
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   58 and name   HN) 2.822 0.955 0.955 ! spec=13C Noesy, no=2112, id=892
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   54 and name   HA) 2.862 0.983 0.983 ! spec=13C Noesy, no=2113, id=893
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   54 and name  HB2) 2.533 0.770 0.770 ! spec=13C Noesy, no=2115, id=895
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   54 and name  HB1) 2.362 0.670 0.670 ! spec=13C Noesy, no=2116, id=896
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   58 and name  HB2) 2.644 0.839 0.839 ! spec=13C Noesy, no=2118, id=898
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   58 and name  HB1) 2.412 0.698 0.698 ! spec=13C Noesy, no=2119, id=899
assign (segid "    " and resid   58 and name   HG) (segid "    " and resid   54 and name  HG2) 3.078 1.137 1.137 ! spec=13C Noesy, no=2125, id=904
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name   HA) 2.789 0.933 0.933 ! spec=13C Noesy, no=2127, id=906
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   58 and name HD21) 2.981 1.066 1.066 ! spec=13C Noesy, no=2128, id=907
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   58 and name   HG) 2.873 0.990 0.990 ! spec=13C Noesy, no=2130, id=908
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name   HA) 2.875 0.992 0.992 ! spec=13C Noesy, no=2132, id=910
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HB1) 2.850 0.974 0.974 ! spec=13C Noesy, no=2133, id=911
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   55 and name  HB2) 2.485 0.741 0.741 ! spec=13C Noesy, no=2136, id=913
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   59 and name  HB1) 2.726 0.892 0.892 ! spec=13C Noesy, no=2138, id=915
assign (segid "    " and resid   55 and name  HG2) (segid "    " and resid   56 and name   HN) 3.113 1.163 1.163 ! spec=13C Noesy, no=2143, id=920
assign (segid "    " and resid   55 and name  HG2) (segid "    " and resid   52 and name   HA) 2.949 1.043 1.043 ! spec=13C Noesy, no=2144, id=921
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   52 and name   HA) 3.584 1.541 1.541 ! spec=13C Noesy, no=2149, id=926
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   59 and name  HB1) 4.253 2.171 2.171 ! spec=13C Noesy, no=2151, id=928
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name  HG1) 2.265 0.616 0.616 ! spec=13C Noesy, no=2153, id=929
assign (segid "    " and resid   56 and name  HG1) (segid "    " and resid   57 and name   HN) 2.805 0.944 0.944 ! spec=13C Noesy, no=2154, id=930
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name   HN) 2.668 0.854 0.854 ! spec=13C Noesy, no=2157, id=933
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name   HA) 2.954 1.047 1.047 ! spec=13C Noesy, no=2158, id=934
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid   57 and name  HB1) 2.836 0.965 0.965 ! spec=13C Noesy, no=2160, id=936
assign (segid "    " and resid   57 and name  HB1) (segid "    " and resid   57 and name   HA) 2.691 0.869 0.869 ! spec=13C Noesy, no=2162, id=938
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   58 and name  HB2) 2.490 0.744 0.744 ! spec=13C Noesy, no=2166, id=940
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   58 and name HD11) 2.315 0.643 0.643 ! spec=13C Noesy, no=2167, id=941
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name   HN) 2.740 0.901 0.901 ! spec=13C Noesy, no=2170, id=944
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name HD11) 2.747 0.905 0.905 ! spec=13C Noesy, no=2172, id=946
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name   HN) 2.579 0.798 0.798 ! spec=13C Noesy, no=2175, id=949
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name   HA) 2.989 1.072 1.072 ! spec=13C Noesy, no=2176, id=950
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name HD21) 2.690 0.868 0.868 ! spec=13C Noesy, no=2177, id=951
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   59 and name   HN) 2.499 0.749 0.749 ! spec=13C Noesy, no=2178, id=952
assign (segid "    " and resid   58 and name HD11) (segid "    " and resid   32 and name   HN) 4.032 1.951 1.951 ! spec=13C Noesy, no=2184, id=955
assign (segid "    " and resid   58 and name HD11) (segid "    " and resid   60 and name   HN) 3.896 1.822 1.822 ! spec=13C Noesy, no=2185, id=956
assign (segid "    " and resid   58 and name HD11) (segid "    " and resid   31 and name   HA) 3.295 1.303 1.303 ! spec=13C Noesy, no=2189, id=960
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name  HD1) 3.170 1.206 1.206 ! spec=13C Noesy, no=2191, id=962
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name   HA) 2.730 0.894 0.894 ! spec=13C Noesy, no=2193, id=964
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   60 and name   HN) 3.597 1.552 1.552 ! spec=13C Noesy, no=2194, id=965
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name  HD1) 2.912 1.017 1.017 ! spec=13C Noesy, no=2195, id=966
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name   HN) 2.820 0.954 0.954 ! spec=13C Noesy, no=2197, id=968
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name   HA) 2.917 1.021 1.021 ! spec=13C Noesy, no=2198, id=969
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   59 and name   HN) 3.779 1.714 1.714 ! spec=15N Noesy, no=4, id=971
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name   HA) 2.876 0.992 0.992 ! spec=15N Noesy, no=8, id=974
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HN) 2.817 0.952 0.952 ! spec=15N Noesy, no=9, id=975
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HB) 2.689 0.867 0.867 ! spec=15N Noesy, no=14, id=978
assign (segid "    " and resid   57 and name  HB1) (segid "    " and resid   57 and name   HN) 2.687 0.866 0.866 ! spec=15N Noesy, no=23, id=981
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   57 and name   HN) 3.678 1.624 1.624 ! spec=15N Noesy, no=24, id=982
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HA) 3.522 1.488 1.488 ! spec=15N Noesy, no=28, id=983
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    7 and name   HN) 3.633 1.584 1.584 ! spec=15N Noesy, no=44, id=993
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HA) 3.444 1.423 1.423 ! spec=15N Noesy, no=49, id=994
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HA) 2.545 0.777 0.777 ! spec=15N Noesy, no=59, id=999
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name   HN) 3.305 1.310 1.310 ! spec=15N Noesy, no=62, id=1000
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   60 and name   HN) 3.530 1.495 1.495 ! spec=15N Noesy, no=73, id=1005
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   49 and name   HN) 2.676 0.859 0.859 ! spec=15N Noesy, no=79, id=1007
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HN) 2.528 0.767 0.767 ! spec=15N Noesy, no=80, id=1008
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name   HG) 2.620 0.824 0.824 ! spec=15N Noesy, no=82, id=1010
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HB1) 3.396 1.384 1.384 ! spec=15N Noesy, no=84, id=1012
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name   HA) 2.853 0.976 0.976 ! spec=15N Noesy, no=87, id=1013
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   52 and name  HB2) 3.081 1.139 1.139 ! spec=15N Noesy, no=93, id=1014
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   49 and name   HN) 3.214 1.239 1.239 ! spec=15N Noesy, no=96, id=1016
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name   HN) 2.845 0.971 0.971 ! spec=15N Noesy, no=100, id=1019
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   49 and name   HN) 2.874 0.991 0.991 ! spec=15N Noesy, no=101, id=1020
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   30 and name   HN) 3.197 1.226 1.226 ! spec=15N Noesy, no=106, id=1022
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   55 and name   HN) 2.692 0.869 0.869 ! spec=15N Noesy, no=125, id=1025
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   52 and name   HA) 3.118 1.167 1.167 ! spec=15N Noesy, no=126, id=1026
assign (segid "    " and resid   54 and name  HB1) (segid "    " and resid   55 and name   HN) 2.763 0.916 0.916 ! spec=15N Noesy, no=128, id=1028
assign (segid "    " and resid   55 and name  HG2) (segid "    " and resid   55 and name   HN) 2.725 0.891 0.891 ! spec=15N Noesy, no=130, id=1029
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name   HN) 2.300 0.635 0.635 ! spec=15N Noesy, no=131, id=1030
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   33 and name HD12) 3.587 1.544 1.544 ! spec=15N Noesy, no=139, id=1032
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   30 and name   HN) 3.502 1.472 1.472 ! spec=15N Noesy, no=140, id=1033
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name   HN) 3.707 1.649 1.649 ! spec=15N Noesy, no=143, id=1034
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name   HN) 2.641 0.837 0.837 ! spec=15N Noesy, no=159, id=1037
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   59 and name   HN) 3.153 1.193 1.193 ! spec=15N Noesy, no=161, id=1039
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HD1) 3.613 1.566 1.566 ! spec=15N Noesy, no=163, id=1040
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name   HA) 2.775 0.924 0.924 ! spec=15N Noesy, no=165, id=1041
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   59 and name   HN) 2.479 0.738 0.738 ! spec=15N Noesy, no=167, id=1042
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HG2) 3.381 1.372 1.372 ! spec=15N Noesy, no=196, id=1053
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   26 and name  HB1) 3.021 1.095 1.095 ! spec=15N Noesy, no=197, id=1054
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   31 and name   HN) 2.540 0.774 0.774 ! spec=15N Noesy, no=198, id=1055
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HB1) 3.272 1.285 1.285 ! spec=15N Noesy, no=199, id=1056
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   29 and name  HB2) 3.094 1.149 1.149 ! spec=15N Noesy, no=201, id=1058
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name   HN) 2.810 0.948 0.948 ! spec=15N Noesy, no=202, id=1059
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name   HN) 2.782 0.929 0.929 ! spec=15N Noesy, no=217, id=1063
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name   HN) 2.635 0.833 0.833 ! spec=15N Noesy, no=249, id=1065
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HD1) 3.539 1.503 1.503 ! spec=15N Noesy, no=251, id=1067
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB2) 2.791 0.934 0.934 ! spec=15N Noesy, no=264, id=1071
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB1) 3.096 1.151 1.151 ! spec=15N Noesy, no=265, id=1072
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HA) 2.856 0.979 0.979 ! spec=15N Noesy, no=266, id=1073
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   52 and name   HN) 2.662 0.850 0.850 ! spec=15N Noesy, no=268, id=1075
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB2) 2.531 0.769 0.769 ! spec=15N Noesy, no=269, id=1076
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB1) 2.993 1.075 1.075 ! spec=15N Noesy, no=270, id=1077
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name   HN) 2.497 0.748 0.748 ! spec=15N Noesy, no=275, id=1081
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name   HA) 3.353 1.349 1.349 ! spec=15N Noesy, no=276, id=1082
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name  HB2) 2.807 0.946 0.946 ! spec=15N Noesy, no=279, id=1085
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   54 and name   HN) 2.590 0.805 0.805 ! spec=15N Noesy, no=280, id=1086
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HN) 2.610 0.817 0.817 ! spec=15N Noesy, no=341, id=1090
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HN) 2.754 0.910 0.910 ! spec=15N Noesy, no=342, id=1091
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name   HA) 2.809 0.947 0.947 ! spec=15N Noesy, no=351, id=1093
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name   HB) 2.472 0.733 0.733 ! spec=15N Noesy, no=354, id=1094
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   56 and name   HN) 2.809 0.947 0.947 ! spec=15N Noesy, no=358, id=1096
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name  HB2) 2.951 1.045 1.045 ! spec=15N Noesy, no=386, id=1097
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   39 and name   HN) 4.102 2.019 2.019 ! spec=15N Noesy, no=396, id=1100
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   20 and name   HN) 4.781 2.742 2.742 ! spec=15N Noesy, no=407, id=1105
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HN) 3.678 1.624 1.624 ! spec=15N Noesy, no=412, id=1108
assign (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name   HN) 2.456 0.724 0.724 ! spec=15N Noesy, no=421, id=1112
assign (segid "    " and resid   54 and name  HB1) (segid "    " and resid   54 and name   HN) 2.554 0.782 0.782 ! spec=15N Noesy, no=422, id=1113
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name   HN) 3.017 1.092 1.092 ! spec=15N Noesy, no=423, id=1114
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   54 and name   HN) 2.792 0.935 0.935 ! spec=15N Noesy, no=424, id=1115
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   55 and name   HN) 2.851 0.975 0.975 ! spec=15N Noesy, no=426, id=1116
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   54 and name   HN) 3.231 1.253 1.253 ! spec=15N Noesy, no=427, id=1117
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   22 and name   HN) 3.969 1.890 1.890 ! spec=15N Noesy, no=440, id=1120
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   14 and name   HN) 3.539 1.503 1.503 ! spec=15N Noesy, no=445, id=1124
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name   HA) 2.433 0.710 0.710 ! spec=15N Noesy, no=449, id=1126
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name   HN) 2.877 0.993 0.993 ! spec=15N Noesy, no=450, id=1127
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   48 and name   HN) 2.332 0.652 0.652 ! spec=15N Noesy, no=452, id=1129
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   48 and name   HN) 2.779 0.927 0.927 ! spec=15N Noesy, no=454, id=1131
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   47 and name  HB2) 3.253 1.270 1.270 ! spec=15N Noesy, no=490, id=1135
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.266 0.616 0.616 ! spec=15N Noesy, no=498, id=1138
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.884 0.998 0.998 ! spec=15N Noesy, no=499, id=1139
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.540 0.774 0.774 ! spec=15N Noesy, no=500, id=1140
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    5 and name   HN) 3.194 1.224 1.224 ! spec=15N Noesy, no=501, id=1141
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB2) 2.961 1.052 1.052 ! spec=15N Noesy, no=505, id=1145
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   20 and name   HN) 3.028 1.100 1.100 ! spec=15N Noesy, no=506, id=1146
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   44 and name   HN) 3.468 1.443 1.443 ! spec=15N Noesy, no=514, id=1148
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   41 and name   HN) 3.847 1.776 1.776 ! spec=15N Noesy, no=520, id=1150
assign (segid "    " and resid   54 and name  HB2) (segid "    " and resid   55 and name   HN) 3.035 1.105 1.105 ! spec=15N Noesy, no=565, id=1156
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   55 and name   HN) 3.669 1.615 1.615 ! spec=15N Noesy, no=567, id=1157
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name   HA) 2.232 0.598 0.598 ! spec=15N Noesy, no=592, id=1164
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    6 and name   HN) 2.898 1.008 1.008 ! spec=15N Noesy, no=593, id=1165
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HG) 2.484 0.740 0.740 ! spec=15N Noesy, no=595, id=1167
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    6 and name   HN) 3.171 1.207 1.207 ! spec=15N Noesy, no=596, id=1168
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name HD22) 2.793 0.936 0.936 ! spec=15N Noesy, no=597, id=1169
    or (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name HD21)
    or (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name HD23)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 3.224 1.247 1.247 ! spec=15N Noesy, no=598, id=1170
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    6 and name   HN) 2.919 1.022 1.022 ! spec=15N Noesy, no=599, id=1171
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name   HN) 2.732 0.896 0.896 ! spec=15N Noesy, no=601, id=1173
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HN) 2.433 0.711 0.711 ! spec=15N Noesy, no=602, id=1174
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HN) 2.775 0.924 0.924 ! spec=15N Noesy, no=603, id=1175
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    4 and name  HB1) 3.165 1.202 1.202 ! spec=15N Noesy, no=605, id=1177
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HN) 2.822 0.956 0.956 ! spec=15N Noesy, no=606, id=1178
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name HD21) 3.046 1.114 1.114 ! spec=15N Noesy, no=607, id=1179
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HG) 2.562 0.788 0.788 ! spec=15N Noesy, no=609, id=1181
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name   HA) 3.081 1.139 1.139 ! spec=15N Noesy, no=610, id=1182
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    6 and name   HA) 3.406 1.392 1.392 ! spec=15N Noesy, no=614, id=1186
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name  HB2) 3.066 1.128 1.128 ! spec=15N Noesy, no=615, id=1187
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.931 1.031 1.031 ! spec=15N Noesy, no=616, id=1188
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN) 2.430 0.709 0.709 ! spec=15N Noesy, no=617, id=1189
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    6 and name   HA) 3.362 1.356 1.356 ! spec=15N Noesy, no=622, id=1194
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HB2) 3.339 1.338 1.338 ! spec=15N Noesy, no=625, id=1197
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HA) 3.150 1.191 1.191 ! spec=15N Noesy, no=627, id=1199
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN) 2.762 0.916 0.916 ! spec=15N Noesy, no=628, id=1200
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 3.061 1.124 1.124 ! spec=15N Noesy, no=629, id=1201
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN) 2.260 0.613 0.613 ! spec=15N Noesy, no=630, id=1202
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name   HA) 2.866 0.986 0.986 ! spec=15N Noesy, no=632, id=1203
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HN) 2.300 0.635 0.635 ! spec=15N Noesy, no=634, id=1204
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name   HA) 3.110 1.161 1.161 ! spec=15N Noesy, no=635, id=1205
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HN) 3.083 1.141 1.141 ! spec=15N Noesy, no=636, id=1206
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN) 2.893 1.005 1.005 ! spec=15N Noesy, no=637, id=1207
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.229 0.596 0.596 ! spec=15N Noesy, no=641, id=1210
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name   HA) 3.177 1.212 1.212 ! spec=15N Noesy, no=642, id=1211
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.993 1.075 1.075 ! spec=15N Noesy, no=643, id=1212
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   12 and name   HA) 3.257 1.273 1.273 ! spec=15N Noesy, no=644, id=1213
assign (segid "    " and resid   14 and name  HA2) (segid "    " and resid   15 and name   HN) 2.397 0.689 0.689 ! spec=15N Noesy, no=648, id=1217
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name   HA) 2.856 0.979 0.979 ! spec=15N Noesy, no=649, id=1218
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HN) 3.054 1.119 1.119 ! spec=15N Noesy, no=650, id=1219
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HN) 2.779 0.927 0.927 ! spec=15N Noesy, no=651, id=1220
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name   HN) 2.563 0.788 0.788 ! spec=15N Noesy, no=652, id=1221
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HA) 2.860 0.982 0.982 ! spec=15N Noesy, no=657, id=1224
assign (segid "    " and resid   16 and name  HA2) (segid "    " and resid   16 and name   HN) 2.495 0.747 0.747 ! spec=15N Noesy, no=659, id=1225
assign (segid "    " and resid   16 and name  HA2) (segid "    " and resid   17 and name   HN) 2.468 0.731 0.731 ! spec=15N Noesy, no=663, id=1228
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HA) 2.838 0.966 0.966 ! spec=15N Noesy, no=665, id=1230
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   18 and name   HN) 2.443 0.716 0.716 ! spec=15N Noesy, no=670, id=1234
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.468 0.731 0.731 ! spec=15N Noesy, no=671, id=1235
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB1) 2.924 1.026 1.026 ! spec=15N Noesy, no=673, id=1237
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HG2) 3.265 1.279 1.279 ! spec=15N Noesy, no=674, id=1238
assign (segid "    " and resid   18 and name   HA) (segid "    " and resid   19 and name   HN) 2.232 0.598 0.598 ! spec=15N Noesy, no=675, id=1239
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB2) 2.860 0.982 0.982 ! spec=15N Noesy, no=676, id=1240
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   19 and name   HN) 2.400 0.691 0.691 ! spec=15N Noesy, no=677, id=1241
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.401 0.692 0.692 ! spec=15N Noesy, no=678, id=1242
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   20 and name   HN) 3.914 1.838 1.838 ! spec=15N Noesy, no=679, id=1243
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 2.152 0.556 0.556 ! spec=15N Noesy, no=680, id=1244
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name   HN) 2.782 0.929 0.929 ! spec=15N Noesy, no=682, id=1246
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.753 0.909 0.909 ! spec=15N Noesy, no=683, id=1247
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN) 2.877 0.993 0.993 ! spec=15N Noesy, no=684, id=1248
assign (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HN) 2.794 0.937 0.937 ! spec=15N Noesy, no=685, id=1249
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.971 1.059 1.059 ! spec=15N Noesy, no=686, id=1250
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HD2) 2.581 0.799 0.799 ! spec=15N Noesy, no=687, id=1251
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN) 2.772 0.922 0.922 ! spec=15N Noesy, no=688, id=1252
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 2.229 0.596 0.596 ! spec=15N Noesy, no=689, id=1253
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HA) 2.863 0.984 0.984 ! spec=15N Noesy, no=690, id=1254
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HD2) 3.372 1.364 1.364 ! spec=15N Noesy, no=693, id=1257
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB2) 2.872 0.990 0.990 ! spec=15N Noesy, no=694, id=1258
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN) 2.144 0.552 0.552 ! spec=15N Noesy, no=695, id=1259
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HA) 2.907 1.014 1.014 ! spec=15N Noesy, no=696, id=1260
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.879 0.994 0.994 ! spec=15N Noesy, no=697, id=1261
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB1) 3.284 1.294 1.294 ! spec=15N Noesy, no=698, id=1262
assign (segid "    " and resid   22 and name  HG2) (segid "    " and resid   22 and name   HN) 3.391 1.380 1.380 ! spec=15N Noesy, no=699, id=1263
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   35 and name   HN) 2.869 0.988 0.988 ! spec=15N Noesy, no=700, id=1264
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name   HA) 2.669 0.855 0.855 ! spec=15N Noesy, no=701, id=1265
assign (segid "    " and resid   23 and name   HB) (segid "    " and resid   23 and name   HN) 2.243 0.604 0.604 ! spec=15N Noesy, no=704, id=1268
assign (segid "    " and resid   23 and name HG11) (segid "    " and resid   23 and name   HN) 3.004 1.083 1.083 ! spec=15N Noesy, no=706, id=1270
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name HG21) 3.650 1.599 1.599 ! spec=15N Noesy, no=707, id=1271
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name   HN) 2.297 0.633 0.633 ! spec=15N Noesy, no=709, id=1273
assign (segid "    " and resid   23 and name HG21) (segid "    " and resid   24 and name   HN) 2.516 0.760 0.760 ! spec=15N Noesy, no=710, id=1274
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   33 and name   HN) 2.903 1.011 1.011 ! spec=15N Noesy, no=714, id=1277
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   47 and name  HE1) 3.593 1.549 1.549 ! spec=15N Noesy, no=718, id=1280
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 2.640 0.836 0.836 ! spec=15N Noesy, no=719, id=1281
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   25 and name   HN) 3.522 1.488 1.488 ! spec=15N Noesy, no=722, id=1283
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HN) 2.813 0.949 0.949 ! spec=15N Noesy, no=723, id=1284
assign (segid "    " and resid   25 and name  HB1) (segid "    " and resid   25 and name   HN) 2.778 0.926 0.926 ! spec=15N Noesy, no=724, id=1285
assign (segid "    " and resid   25 and name   HA) (segid "    " and resid   26 and name   HN) 2.388 0.684 0.684 ! spec=15N Noesy, no=725, id=1286
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HA) 3.033 1.104 1.104 ! spec=15N Noesy, no=726, id=1287
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN) 2.619 0.823 0.823 ! spec=15N Noesy, no=727, id=1288
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   31 and name   HN) 3.177 1.212 1.212 ! spec=15N Noesy, no=729, id=1290
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.229 0.596 0.596 ! spec=15N Noesy, no=731, id=1292
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 2.888 1.001 1.001 ! spec=15N Noesy, no=732, id=1293
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.401 0.692 0.692 ! spec=15N Noesy, no=733, id=1294
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 2.724 0.890 0.890 ! spec=15N Noesy, no=734, id=1295
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HA) 3.348 1.345 1.345 ! spec=15N Noesy, no=736, id=1297
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name   HN) 2.680 0.862 0.862 ! spec=15N Noesy, no=737, id=1298
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name   HN) 2.246 0.605 0.605 ! spec=15N Noesy, no=738, id=1299
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name   HN) 2.543 0.776 0.776 ! spec=15N Noesy, no=739, id=1300
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   29 and name   HN) 3.242 1.261 1.261 ! spec=15N Noesy, no=742, id=1303
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   29 and name   HN) 2.304 0.637 0.637 ! spec=15N Noesy, no=743, id=1304
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HN) 2.499 0.749 0.749 ! spec=15N Noesy, no=745, id=1306
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HG1) 3.127 1.173 1.173 ! spec=15N Noesy, no=748, id=1309
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HG2) 2.991 1.074 1.074 ! spec=15N Noesy, no=749, id=1310
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB2) 3.261 1.276 1.276 ! spec=15N Noesy, no=750, id=1311
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name   HN) 2.399 0.691 0.691 ! spec=15N Noesy, no=752, id=1313
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name   HA) 3.217 1.242 1.242 ! spec=15N Noesy, no=753, id=1314
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   29 and name  HB2) 3.121 1.169 1.169 ! spec=15N Noesy, no=754, id=1315
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name   HA) 2.287 0.628 0.628 ! spec=15N Noesy, no=755, id=1316
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   31 and name   HN) 2.572 0.794 0.794 ! spec=15N Noesy, no=759, id=1320
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   32 and name   HN) 2.199 0.580 0.580 ! spec=15N Noesy, no=760, id=1321
assign (segid "    " and resid   31 and name  HB1) (segid "    " and resid   32 and name   HN) 2.797 0.939 0.939 ! spec=15N Noesy, no=761, id=1322
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name   HN) 2.446 0.718 0.718 ! spec=15N Noesy, no=763, id=1324
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name HD12) 3.138 1.182 1.182 ! spec=15N Noesy, no=765, id=1326
assign (segid "    " and resid   23 and name HG21) (segid "    " and resid   33 and name   HN) 2.865 0.985 0.985 ! spec=15N Noesy, no=766, id=1327
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name   HA) 2.933 1.032 1.032 ! spec=15N Noesy, no=770, id=1331
assign (segid "    " and resid   33 and name  HB2) (segid "    " and resid   33 and name   HN) 2.658 0.848 0.848 ! spec=15N Noesy, no=771, id=1332
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HA) 2.269 0.618 0.618 ! spec=15N Noesy, no=774, id=1335
assign (segid "    " and resid   33 and name  HB1) (segid "    " and resid   34 and name   HN) 2.476 0.736 0.736 ! spec=15N Noesy, no=776, id=1337
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name   HN) 2.893 1.005 1.005 ! spec=15N Noesy, no=777, id=1338
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   35 and name   HN) 3.257 1.273 1.273 ! spec=15N Noesy, no=780, id=1341
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   35 and name   HN) 2.765 0.917 0.917 ! spec=15N Noesy, no=781, id=1342
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name  HG2) 3.081 1.139 1.139 ! spec=15N Noesy, no=782, id=1343
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   35 and name   HN) 2.224 0.594 0.594 ! spec=15N Noesy, no=784, id=1345
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name   HA) 3.066 1.128 1.128 ! spec=15N Noesy, no=785, id=1346
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name   HA) 2.395 0.689 0.689 ! spec=15N Noesy, no=787, id=1348
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   36 and name   HN) 2.908 1.015 1.015 ! spec=15N Noesy, no=788, id=1349
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   35 and name  HD1) 3.228 1.250 1.250 ! spec=15N Noesy, no=790, id=1351
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HA) 2.981 1.066 1.066 ! spec=15N Noesy, no=791, id=1352
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name   HN) 2.880 0.996 0.996 ! spec=15N Noesy, no=793, id=1354
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   37 and name   HN) 2.209 0.585 0.585 ! spec=15N Noesy, no=794, id=1355
assign (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name   HN) 2.579 0.798 0.798 ! spec=15N Noesy, no=797, id=1358
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name  HB2) 3.765 1.701 1.701 ! spec=15N Noesy, no=799, id=1359
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   13 and name   HA) 3.412 1.397 1.397 ! spec=15N Noesy, no=803, id=1361
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name   HA) 2.324 0.648 0.648 ! spec=15N Noesy, no=805, id=1363
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   38 and name   HN) 3.367 1.360 1.360 ! spec=15N Noesy, no=807, id=1365
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HG2) 3.438 1.419 1.419 ! spec=15N Noesy, no=808, id=1366
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   40 and name   HN) 2.977 1.063 1.063 ! spec=15N Noesy, no=809, id=1367
assign (segid "    " and resid   16 and name  HA2) (segid "    " and resid   40 and name   HN) 3.042 1.110 1.110 ! spec=15N Noesy, no=810, id=1368
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name   HA) 2.809 0.947 0.947 ! spec=15N Noesy, no=813, id=1371
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HB2) 2.975 1.062 1.062 ! spec=15N Noesy, no=814, id=1372
assign (segid "    " and resid   40 and name  HB1) (segid "    " and resid   40 and name   HN) 3.187 1.219 1.219 ! spec=15N Noesy, no=815, id=1373
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   41 and name   HN) 2.324 0.648 0.648 ! spec=15N Noesy, no=817, id=1375
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HB2) 3.228 1.250 1.250 ! spec=15N Noesy, no=818, id=1376
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HB1) 3.012 1.089 1.089 ! spec=15N Noesy, no=819, id=1377
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HG2) 3.091 1.147 1.147 ! spec=15N Noesy, no=820, id=1378
assign (segid "    " and resid   41 and name  HA2) (segid "    " and resid   41 and name   HN) 2.465 0.729 0.729 ! spec=15N Noesy, no=822, id=1380
assign (segid "    " and resid   41 and name  HA2) (segid "    " and resid   42 and name   HN) 2.473 0.734 0.734 ! spec=15N Noesy, no=825, id=1383
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   43 and name   HN) 3.099 1.153 1.153 ! spec=15N Noesy, no=828, id=1386
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HA2) 2.417 0.701 0.701 ! spec=15N Noesy, no=830, id=1388
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 2.951 1.045 1.045 ! spec=15N Noesy, no=832, id=1390
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   44 and name   HN) 2.586 0.802 0.802 ! spec=15N Noesy, no=834, id=1391
assign (segid "    " and resid   44 and name  HB1) (segid "    " and resid   44 and name   HN) 2.857 0.980 0.980 ! spec=15N Noesy, no=839, id=1396
assign (segid "    " and resid   44 and name  HG2) (segid "    " and resid   44 and name   HN) 2.630 0.830 0.830 ! spec=15N Noesy, no=840, id=1397
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name   HA) 2.769 0.920 0.920 ! spec=15N Noesy, no=843, id=1399
assign (segid "    " and resid   45 and name  HB1) (segid "    " and resid   45 and name   HN) 2.638 0.835 0.835 ! spec=15N Noesy, no=845, id=1401
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HN) 3.555 1.516 1.516 ! spec=15N Noesy, no=847, id=1403
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HA) 2.395 0.688 0.688 ! spec=15N Noesy, no=848, id=1404
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name   HA) 3.214 1.239 1.239 ! spec=15N Noesy, no=849, id=1405
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name  HB1) 2.839 0.967 0.967 ! spec=15N Noesy, no=851, id=1407
assign (segid "    " and resid   23 and name   HB) (segid "    " and resid   47 and name   HN) 3.091 1.147 1.147 ! spec=15N Noesy, no=852, id=1408
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   47 and name   HN) 2.946 1.041 1.041 ! spec=15N Noesy, no=853, id=1409
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HA) 2.428 0.708 0.708 ! spec=15N Noesy, no=854, id=1410
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name   HN) 3.422 1.405 1.405 ! spec=15N Noesy, no=855, id=1411
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HB2) 3.433 1.414 1.414 ! spec=15N Noesy, no=856, id=1412
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HB1) 2.817 0.952 0.952 ! spec=15N Noesy, no=857, id=1413
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   58 and name   HN) 2.866 0.986 0.986 ! spec=15N Noesy, no=860, id=1416
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   59 and name   HN) 2.789 0.934 0.934 ! spec=15N Noesy, no=861, id=1417



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1HT       LYS   1  -2.217 -13.953  11.079
    2   2H    LYS   1          2HT       LYS   1  -1.381 -12.675  10.436
    3   3H    LYS   1          3HT       LYS   1  -0.587 -13.705  11.527
    4    HA   LYS   1           HA       LYS   1   0.026 -14.046   9.214
    5   1HB   LYS   1          2HB       LYS   1  -0.486 -16.518   9.085
    6   2HB   LYS   1          1HB       LYS   1   0.137 -16.027  10.653
    7   1HG   LYS   1          2HG       LYS   1  -2.196 -15.968  11.499
    8   2HG   LYS   1          1HG       LYS   1  -2.734 -16.591   9.942
    9   1HD   LYS   1          2HD       LYS   1  -2.539 -18.364  11.637
   10   2HD   LYS   1          1HD       LYS   1  -1.424 -18.619  10.289
   11   1HE   LYS   1          2HE       LYS   1   0.421 -17.838  11.585
   12   2HE   LYS   1          1HE       LYS   1  -0.645 -17.274  12.869
   13   1HZ   LYS   1          1HZ       LYS   1  -1.200 -19.488  13.414
   14   2HZ   LYS   1          2HZ       LYS   1   0.471 -19.396  13.384
   15   3HZ   LYS   1          3HZ       LYS   1  -0.361 -20.130  12.094
   16    H    ASP   2           H        ASP   2  -0.999 -15.540   7.261
   17    HA   ASP   2           HA       ASP   2  -2.359 -15.542   5.451
   18   1HB   ASP   2          2HB       ASP   2  -4.429 -14.536   7.413
   19   2HB   ASP   2          1HB       ASP   2  -4.783 -14.608   5.694
   20    H    ARG   3           H        ARG   3  -3.081 -12.550   7.113
   21    HA   ARG   3           HA       ARG   3  -1.811 -11.050   4.957
   22   1HB   ARG   3          2HB       ARG   3  -4.604 -10.450   5.976
   23   2HB   ARG   3          1HB       ARG   3  -3.676  -9.469   4.879
   24   1HG   ARG   3          2HG       ARG   3  -3.918 -11.174   3.150
   25   2HG   ARG   3          1HG       ARG   3  -4.836 -12.187   4.278
   26   1HD   ARG   3          2HD       ARG   3  -6.445 -10.358   4.579
   27   2HD   ARG   3          1HD       ARG   3  -5.556  -9.391   3.420
   28    HE   ARG   3           HE       ARG   3  -6.271 -11.736   2.146
   29   1HH1  ARG   3          1HH1      ARG   3  -7.940  -9.119   3.820
   30   2HH1  ARG   3          2HH1      ARG   3  -9.266  -9.023   2.772
   31   1HH2  ARG   3          1HH2      ARG   3  -8.189 -11.653   0.615
   32   2HH2  ARG   3          2HH2      ARG   3  -9.391 -10.479   0.922
   33    HA   PRO   4           HA       PRO   4  -1.050  -8.911   8.827
   34   1HB   PRO   4          2HB       PRO   4   0.031  -6.761   7.012
   35   2HB   PRO   4          1HB       PRO   4   0.817  -7.498   8.413
   36   1HG   PRO   4          2HG       PRO   4   1.575  -8.102   5.911
   37   2HG   PRO   4          1HG       PRO   4   1.578  -9.315   7.201
   38   1HD   PRO   4          2HD       PRO   4  -0.391  -8.912   4.985
   39   2HD   PRO   4          1HD       PRO   4   0.225 -10.426   5.683
   40    H    SER   5           H        SER   5  -2.904  -7.658   9.520
   41    HA   SER   5           HA       SER   5  -4.926  -7.104   7.860
   42   1HB   SER   5          2HB       SER   5  -4.387  -5.966  10.582
   43   2HB   SER   5          1HB       SER   5  -5.960  -5.975   9.769
   44    HG   SER   5           HG       SER   5  -5.585  -8.261   9.498
   45    H    LEU   6           H        LEU   6  -2.119  -5.049   8.290
   46    HA   LEU   6           HA       LEU   6  -3.483  -2.694   7.714
   47   1HB   LEU   6          2HB       LEU   6  -1.151  -1.773   7.544
   48   2HB   LEU   6          1HB       LEU   6  -1.599  -2.455   9.084
   49    HG   LEU   6           HG       LEU   6  -0.300  -4.536   8.408
   50   1HD1  LEU   6          1HD1      LEU   6   1.447  -4.285   6.723
   51   2HD1  LEU   6          2HD1      LEU   6   0.772  -2.726   6.253
   52   3HD1  LEU   6          3HD1      LEU   6  -0.168  -4.202   6.018
   53   1HD2  LEU   6          1HD2      LEU   6   1.856  -3.539   8.992
   54   2HD2  LEU   6          2HD2      LEU   6   0.544  -2.937  10.008
   55   3HD2  LEU   6          3HD2      LEU   6   1.185  -1.937   8.705
   56    H    CYS   7           H        CYS   7  -2.591  -5.299   5.788
   57    HA   CYS   7           HA       CYS   7  -2.005  -3.840   3.404
   58   1HB   CYS   7          2HB       CYS   7  -2.829  -6.714   3.828
   59   2HB   CYS   7          1HB       CYS   7  -2.146  -6.039   2.355
   60    H    ASP   8           H        ASP   8  -4.772  -4.807   5.201
   61    HA   ASP   8           HA       ASP   8  -6.687  -4.489   2.985
   62   1HB   ASP   8          2HB       ASP   8  -6.816  -6.573   4.433
   63   2HB   ASP   8          1HB       ASP   8  -7.118  -5.540   5.823
   64    H    LEU   9           H        LEU   9  -5.221  -2.262   4.124
   65    HA   LEU   9           HA       LEU   9  -6.879  -1.145   6.217
   66   1HB   LEU   9          2HB       LEU   9  -4.348  -1.581   6.568
   67   2HB   LEU   9          1HB       LEU   9  -4.084  -0.352   5.370
   68    HG   LEU   9           HG       LEU   9  -3.712   0.468   7.626
   69   1HD1  LEU   9          1HD1      LEU   9  -4.423   2.094   6.022
   70   2HD1  LEU   9          2HD1      LEU   9  -5.095   2.466   7.612
   71   3HD1  LEU   9          3HD1      LEU   9  -6.115   1.739   6.368
   72   1HD2  LEU   9          1HD2      LEU   9  -6.610  -0.183   8.113
   73   2HD2  LEU   9          2HD2      LEU   9  -5.575   0.735   9.205
   74   3HD2  LEU   9          3HD2      LEU   9  -5.211  -0.957   8.860
   75    HA   PRO  10           HA       PRO  10  -9.066   1.148   3.409
   76   1HB   PRO  10          2HB       PRO  10  -7.889   3.384   4.969
   77   2HB   PRO  10          1HB       PRO  10  -9.553   3.125   4.429
   78   1HG   PRO  10          2HG       PRO  10  -8.526   2.439   6.929
   79   2HG   PRO  10          1HG       PRO  10 -10.038   1.839   6.224
   80   1HD   PRO  10          2HD       PRO  10  -7.713   0.337   6.808
   81   2HD   PRO  10          1HD       PRO  10  -9.127  -0.205   5.880
   82    H    ALA  11           H        ALA  11  -8.551   1.185   1.568
   83    HA   ALA  11           HA       ALA  11  -6.039   2.374   0.326
   84   1HB   ALA  11          1HB       ALA  11  -8.715   1.391  -0.835
   85   2HB   ALA  11          2HB       ALA  11  -7.197   0.510  -0.964
   86   3HB   ALA  11          3HB       ALA  11  -7.399   2.049  -1.807
   87    H    ASP  12           H        ASP  12  -5.936   4.057   1.182
   88    HA   ASP  12           HA       ASP  12  -8.002   6.097   0.722
   89   1HB   ASP  12          2HB       ASP  12  -8.204   5.432   3.090
   90   2HB   ASP  12          1HB       ASP  12  -6.490   5.759   3.318
   91    H    SER  13           H        SER  13  -7.617   8.096   0.223
   92    HA   SER  13           HA       SER  13  -4.971   8.407  -1.061
   93   1HB   SER  13          2HB       SER  13  -6.261  10.244  -2.224
   94   2HB   SER  13          1HB       SER  13  -6.754   8.589  -2.601
   95    HG   SER  13           HG       SER  13  -8.070  10.458  -0.876
   96    H    GLY  14           H        GLY  14  -6.646   9.635   1.616
   97   1HA   GLY  14          2HA       GLY  14  -5.865  11.178   3.114
   98   2HA   GLY  14          1HA       GLY  14  -4.443  11.389   2.097
   99    H    SER  15           H        SER  15  -5.551  13.566   3.160
  100    HA   SER  15           HA       SER  15  -6.460  14.625   0.942
  101   1HB   SER  15          2HB       SER  15  -8.493  15.011   3.162
  102   2HB   SER  15          1HB       SER  15  -8.478  16.109   1.779
  103    HG   SER  15           HG       SER  15  -9.751  13.900   1.898
  104    H    GLY  16           H        GLY  16  -4.204  14.846   1.764
  105   1HA   GLY  16          2HA       GLY  16  -3.682  17.192   3.277
  106   2HA   GLY  16          1HA       GLY  16  -2.517  16.121   2.535
  107    H    THR  17           H        THR  17  -1.756  18.453   2.460
  108    HA   THR  17           HA       THR  17  -2.675  20.127   0.280
  109    HB   THR  17           HB       THR  17  -0.786  21.505   1.261
  110    HG1  THR  17           1HG      THR  17  -0.724  20.569   3.659
  111   1HG2  THR  17          1HG2      THR  17  -3.177  21.925   1.699
  112   2HG2  THR  17          2HG2      THR  17  -2.210  22.210   3.141
  113   3HG2  THR  17          3HG2      THR  17  -3.151  20.724   2.991
  114    H    LYS  18           H        LYS  18  -0.260  17.618   0.524
  115    HA   LYS  18           HA       LYS  18   1.656  18.751  -1.450
  116   1HB   LYS  18          2HB       LYS  18   2.518  18.366   0.903
  117   2HB   LYS  18          1HB       LYS  18   1.813  16.769   0.863
  118   1HG   LYS  18          2HG       LYS  18   4.153  16.551   0.548
  119   2HG   LYS  18          1HG       LYS  18   3.380  16.208  -0.995
  120   1HD   LYS  18          2HD       LYS  18   3.928  18.485  -1.746
  121   2HD   LYS  18          1HD       LYS  18   4.725  18.786  -0.194
  122   1HE   LYS  18          2HE       LYS  18   6.250  16.893  -0.655
  123   2HE   LYS  18          1HE       LYS  18   5.484  16.688  -2.225
  124   1HZ   LYS  18          1HZ       LYS  18   6.854  19.139  -1.319
  125   2HZ   LYS  18          2HZ       LYS  18   6.296  18.839  -2.911
  126   3HZ   LYS  18          3HZ       LYS  18   7.576  17.974  -2.288
  127    H    ALA  19           H        ALA  19   2.504  17.140  -2.835
  128    HA   ALA  19           HA       ALA  19   0.678  14.861  -3.258
  129   1HB   ALA  19          1HB       ALA  19   1.362  14.942  -5.611
  130   2HB   ALA  19          2HB       ALA  19   2.400  16.329  -5.275
  131   3HB   ALA  19          3HB       ALA  19   0.650  16.489  -5.143
  132    H    GLU  20           H        GLU  20   1.525  12.936  -2.899
  133    HA   GLU  20           HA       GLU  20   4.399  12.660  -3.054
  134   1HB   GLU  20          2HB       GLU  20   3.855  13.138  -0.731
  135   2HB   GLU  20          1HB       GLU  20   2.700  11.817  -0.702
  136   1HG   GLU  20          2HG       GLU  20   4.791  11.235   0.395
  137   2HG   GLU  20          1HG       GLU  20   4.474  10.222  -1.019
  138    H    LYS  21           H        LYS  21   5.034  10.606  -3.573
  139    HA   LYS  21           HA       LYS  21   2.997   8.860  -4.879
  140   1HB   LYS  21          2HB       LYS  21   4.935   9.850  -6.164
  141   2HB   LYS  21          1HB       LYS  21   5.991   8.931  -5.101
  142   1HG   LYS  21          2HG       LYS  21   4.759   6.869  -5.860
  143   2HG   LYS  21          1HG       LYS  21   4.005   7.883  -7.088
  144   1HD   LYS  21          2HD       LYS  21   5.876   6.855  -8.113
  145   2HD   LYS  21          1HD       LYS  21   6.335   8.534  -7.799
  146   1HE   LYS  21          2HE       LYS  21   7.498   7.824  -5.762
  147   2HE   LYS  21          1HE       LYS  21   7.029   6.152  -6.083
  148   1HZ   LYS  21          1HZ       LYS  21   8.956   7.828  -7.618
  149   2HZ   LYS  21          2HZ       LYS  21   8.228   6.475  -8.267
  150   3HZ   LYS  21          3HZ       LYS  21   9.177   6.301  -6.905
  151    H    ARG  22           H        ARG  22   2.224   7.343  -3.269
  152    HA   ARG  22           HA       ARG  22   4.435   5.996  -2.094
  153   1HB   ARG  22          2HB       ARG  22   1.615   6.438  -1.136
  154   2HB   ARG  22          1HB       ARG  22   2.792   5.430  -0.309
  155   1HG   ARG  22          2HG       ARG  22   3.168   8.372  -0.862
  156   2HG   ARG  22          1HG       ARG  22   2.511   7.728   0.640
  157   1HD   ARG  22          2HD       ARG  22   4.615   6.507   1.014
  158   2HD   ARG  22          1HD       ARG  22   5.263   7.177  -0.485
  159    HE   ARG  22           HE       ARG  22   5.324   9.317   0.502
  160   1HH1  ARG  22          1HH1      ARG  22   4.430   6.807   2.839
  161   2HH1  ARG  22          2HH1      ARG  22   4.823   7.707   4.206
  162   1HH2  ARG  22          1HH2      ARG  22   5.866  10.631   2.469
  163   2HH2  ARG  22          2HH2      ARG  22   5.587   9.928   3.981
  164    H    ILE  23           H        ILE  23   3.225   3.512  -1.382
  165    HA   ILE  23           HA       ILE  23   1.523   2.724  -3.615
  166    HB   ILE  23           HB       ILE  23   3.862   2.139  -4.273
  167   1HG1  ILE  23          2HG1      ILE  23   2.339  -0.363  -3.584
  168   2HG1  ILE  23          1HG1      ILE  23   1.982   0.677  -4.957
  169   1HG2  ILE  23          1HG2      ILE  23   4.856   1.847  -2.063
  170   2HG2  ILE  23          2HG2      ILE  23   5.133   0.443  -3.107
  171   3HG2  ILE  23          3HG2      ILE  23   3.906   0.364  -1.859
  172   1HD1  ILE  23          1HD1      ILE  23   4.552  -0.819  -4.502
  173   2HD1  ILE  23          2HD1      ILE  23   4.181   0.214  -5.888
  174   3HD1  ILE  23          3HD1      ILE  23   3.266  -1.270  -5.623
  175    H    TYR  24           H        TYR  24   0.006   1.016  -3.020
  176    HA   TYR  24           HA       TYR  24   0.224   0.207  -0.188
  177   1HB   TYR  24          2HB       TYR  24  -2.144   0.529   0.191
  178   2HB   TYR  24          1HB       TYR  24  -1.509   2.036  -0.434
  179    HD1  TYR  24           1HD      TYR  24  -3.838  -0.661  -0.892
  180    HD2  TYR  24           2HD      TYR  24  -2.115   2.682  -2.827
  181    HE1  TYR  24           1HE      TYR  24  -5.644  -0.714  -2.542
  182    HE2  TYR  24           2HE      TYR  24  -3.916   2.642  -4.487
  183    HH   TYR  24           HH       TYR  24  -6.745   0.730  -4.119
  184    H    TYR  25           H        TYR  25  -0.730  -1.657   0.160
  185    HA   TYR  25           HA       TYR  25  -0.617  -3.646  -1.882
  186   1HB   TYR  25          2HB       TYR  25  -0.266  -4.439   0.329
  187   2HB   TYR  25          1HB       TYR  25  -1.884  -3.949   0.827
  188    HD1  TYR  25           1HD      TYR  25  -0.237  -6.163  -1.719
  189    HD2  TYR  25           2HD      TYR  25  -3.533  -5.579   0.898
  190    HE1  TYR  25           1HE      TYR  25  -1.098  -8.398  -2.302
  191    HE2  TYR  25           2HE      TYR  25  -4.396  -7.804   0.328
  192    HH   TYR  25           HH       TYR  25  -2.527 -10.093  -1.338
  193    H    ASN  26           H        ASN  26  -2.287  -4.060  -3.433
  194    HA   ASN  26           HA       ASN  26  -5.004  -3.178  -2.771
  195   1HB   ASN  26          2HB       ASN  26  -3.963  -2.479  -4.976
  196   2HB   ASN  26          1HB       ASN  26  -3.914  -4.185  -5.411
  197   1HD2  ASN  26          1HD2      ASN  26  -5.878  -1.395  -5.034
  198   2HD2  ASN  26          2HD2      ASN  26  -7.333  -2.095  -5.632
  199    H    SER  27           H        SER  27  -6.359  -4.440  -2.293
  200    HA   SER  27           HA       SER  27  -5.463  -7.059  -1.793
  201   1HB   SER  27          2HB       SER  27  -6.726  -5.961  -0.022
  202   2HB   SER  27          1HB       SER  27  -8.181  -5.974  -1.020
  203    HG   SER  27           HG       SER  27  -8.457  -8.005  -0.672
  204    H    ALA  28           H        ALA  28  -7.839  -5.763  -4.019
  205    HA   ALA  28           HA       ALA  28  -9.041  -8.254  -4.619
  206   1HB   ALA  28          1HB       ALA  28 -10.276  -6.208  -4.907
  207   2HB   ALA  28          2HB       ALA  28 -10.142  -7.036  -6.459
  208   3HB   ALA  28          3HB       ALA  28  -9.120  -5.642  -6.114
  209    H    ARG  29           H        ARG  29  -6.642  -6.191  -5.961
  210    HA   ARG  29           HA       ARG  29  -6.060  -7.865  -8.292
  211   1HB   ARG  29          2HB       ARG  29  -4.552  -5.448  -7.261
  212   2HB   ARG  29          1HB       ARG  29  -4.170  -6.308  -8.745
  213   1HG   ARG  29          2HG       ARG  29  -6.773  -4.895  -8.208
  214   2HG   ARG  29          1HG       ARG  29  -5.414  -4.213  -9.096
  215   1HD   ARG  29          2HD       ARG  29  -7.011  -6.658  -9.846
  216   2HD   ARG  29          1HD       ARG  29  -7.061  -5.085 -10.643
  217    HE   ARG  29           HE       ARG  29  -4.743  -6.921 -10.651
  218   1HH1  ARG  29          1HH1      ARG  29  -6.539  -4.273 -12.228
  219   2HH1  ARG  29          2HH1      ARG  29  -5.628  -4.369 -13.648
  220   1HH2  ARG  29          1HH2      ARG  29  -3.521  -6.982 -12.548
  221   2HH2  ARG  29          2HH2      ARG  29  -3.836  -5.876 -13.829
  222    H    LYS  30           H        LYS  30  -5.268  -7.992  -5.131
  223    HA   LYS  30           HA       LYS  30  -3.661  -8.905  -3.763
  224   1HB   LYS  30          2HB       LYS  30  -4.573 -10.957  -4.915
  225   2HB   LYS  30          1HB       LYS  30  -3.287 -10.820  -6.107
  226   1HG   LYS  30          2HG       LYS  30  -1.701 -10.948  -4.070
  227   2HG   LYS  30          1HG       LYS  30  -3.108 -11.580  -3.220
  228   1HD   LYS  30          2HD       LYS  30  -3.280 -13.390  -4.816
  229   2HD   LYS  30          1HD       LYS  30  -1.942 -12.712  -5.754
  230   1HE   LYS  30          2HE       LYS  30  -0.557 -12.902  -3.640
  231   2HE   LYS  30          1HE       LYS  30  -1.860 -13.888  -2.989
  232   1HZ   LYS  30          1HZ       LYS  30  -1.555 -15.393  -4.907
  233   2HZ   LYS  30          2HZ       LYS  30  -0.186 -15.281  -3.920
  234   3HZ   LYS  30          3HZ       LYS  30  -0.234 -14.451  -5.395
  235    H    GLN  31           H        GLN  31  -2.843  -6.982  -5.143
  236    HA   GLN  31           HA       GLN  31   0.205  -7.085  -5.372
  237   1HB   GLN  31          2HB       GLN  31   0.428  -6.293  -7.533
  238   2HB   GLN  31          1HB       GLN  31  -0.643  -7.676  -7.626
  239   1HG   GLN  31          2HG       GLN  31  -2.545  -6.115  -7.781
  240   2HG   GLN  31          1HG       GLN  31  -1.391  -4.777  -7.810
  241   1HE2  GLN  31          1HE2      GLN  31  -1.928  -4.134  -9.911
  242   2HE2  GLN  31          2HE2      GLN  31  -1.480  -5.079 -11.273
  243    H    CYS  32           H        CYS  32   1.494  -5.301  -5.081
  244    HA   CYS  32           HA       CYS  32  -0.254  -3.735  -3.792
  245   1HB   CYS  32          2HB       CYS  32   1.842  -2.535  -2.858
  246   2HB   CYS  32          1HB       CYS  32   1.523  -4.192  -2.388
  247    H    LEU  33           H        LEU  33  -0.442  -1.348  -4.542
  248    HA   LEU  33           HA       LEU  33   0.998  -0.461  -6.944
  249   1HB   LEU  33          2HB       LEU  33  -1.077  -0.149  -8.190
  250   2HB   LEU  33          1HB       LEU  33  -0.742  -1.843  -7.951
  251    HG   LEU  33           HG       LEU  33  -2.499  -1.791  -6.102
  252   1HD1  LEU  33          1HD1      LEU  33  -4.173  -0.026  -6.225
  253   2HD1  LEU  33          2HD1      LEU  33  -3.177   0.853  -7.386
  254   3HD1  LEU  33          3HD1      LEU  33  -2.604   0.607  -5.741
  255   1HD2  LEU  33          1HD2      LEU  33  -4.337  -1.969  -7.691
  256   2HD2  LEU  33          2HD2      LEU  33  -2.888  -2.779  -8.281
  257   3HD2  LEU  33          3HD2      LEU  33  -3.344  -1.202  -8.931
  258    H    ARG  34           H        ARG  34   0.642   1.443  -7.585
  259    HA   ARG  34           HA       ARG  34   1.087   3.140  -5.340
  260   1HB   ARG  34          2HB       ARG  34   2.578   2.990  -7.303
  261   2HB   ARG  34          1HB       ARG  34   1.296   3.569  -8.329
  262   1HG   ARG  34          2HG       ARG  34   2.584   5.215  -6.148
  263   2HG   ARG  34          1HG       ARG  34   3.133   5.192  -7.817
  264   1HD   ARG  34          2HD       ARG  34   0.746   5.902  -8.421
  265   2HD   ARG  34          1HD       ARG  34   0.550   6.193  -6.690
  266    HE   ARG  34           HE       ARG  34   2.848   7.495  -7.535
  267   1HH1  ARG  34          1HH1      ARG  34  -0.679   7.729  -8.035
  268   2HH1  ARG  34          2HH1      ARG  34  -0.600   9.430  -8.267
  269   1HH2  ARG  34          1HH2      ARG  34   2.832   9.915  -7.919
  270   2HH2  ARG  34          2HH2      ARG  34   1.290  10.590  -8.171
  271    H    PHE  35           H        PHE  35   0.093   4.725  -4.799
  272    HA   PHE  35           HA       PHE  35  -2.348   5.215  -6.041
  273   1HB   PHE  35          2HB       PHE  35  -3.587   5.717  -3.857
  274   2HB   PHE  35          1HB       PHE  35  -2.957   4.096  -4.056
  275    HD1  PHE  35           1HD      PHE  35  -0.487   3.797  -2.945
  276    HD2  PHE  35           2HD      PHE  35  -3.378   6.703  -1.828
  277    HE1  PHE  35           1HE      PHE  35   0.515   3.939  -0.707
  278    HE2  PHE  35           2HE      PHE  35  -2.366   6.854   0.396
  279    HZ   PHE  35           HZ       PHE  35  -0.423   5.473   0.965
  280    H    ASP  36           H        ASP  36  -3.106   7.868  -5.159
  281    HA   ASP  36           HA       ASP  36  -0.652   9.163  -4.996
  282   1HB   ASP  36          2HB       ASP  36  -2.164  10.004  -6.723
  283   2HB   ASP  36          1HB       ASP  36  -3.476  10.147  -5.566
  284    H    TYR  37           H        TYR  37  -0.025   9.752  -2.967
  285    HA   TYR  37           HA       TYR  37  -2.010   9.920  -0.810
  286   1HB   TYR  37          2HB       TYR  37  -0.251   8.130  -0.762
  287   2HB   TYR  37          1HB       TYR  37   0.966   9.382  -0.812
  288    HD1  TYR  37           1HD      TYR  37   1.692  10.460   1.203
  289    HD2  TYR  37           2HD      TYR  37  -1.847   8.107   1.238
  290    HE1  TYR  37           1HE      TYR  37   1.594  10.654   3.647
  291    HE2  TYR  37           2HE      TYR  37  -1.958   8.294   3.678
  292    HH   TYR  37           HH       TYR  37  -0.085  10.492   5.443
  293    H    THR  38           H        THR  38  -2.058  11.936   0.393
  294    HA   THR  38           HA       THR  38  -0.562  13.764  -1.134
  295    HB   THR  38           HB       THR  38  -2.150  15.298   0.199
  296    HG1  THR  38           1HG      THR  38  -3.821  13.103   0.140
  297   1HG2  THR  38          1HG2      THR  38  -3.830  14.902  -1.528
  298   2HG2  THR  38          2HG2      THR  38  -3.101  13.340  -1.897
  299   3HG2  THR  38          3HG2      THR  38  -2.211  14.829  -2.222
  300    H    GLY  39           H        GLY  39  -0.837  13.143   2.406
  301   1HA   GLY  39          2HA       GLY  39   1.592  12.962   3.303
  302   2HA   GLY  39          1HA       GLY  39   1.764  14.538   2.544
  303    H    GLN  40           H        GLN  40  -1.351  14.699   3.625
  304    HA   GLN  40           HA       GLN  40  -0.639  14.759   6.341
  305   1HB   GLN  40          2HB       GLN  40  -0.618  17.108   5.635
  306   2HB   GLN  40          1HB       GLN  40  -2.174  16.921   4.843
  307   1HG   GLN  40          2HG       GLN  40  -2.440  18.122   6.926
  308   2HG   GLN  40          1HG       GLN  40  -3.241  16.561   7.016
  309   1HE2  GLN  40          1HE2      GLN  40  -2.366  18.288   9.155
  310   2HE2  GLN  40          2HE2      GLN  40  -1.322  17.350  10.149
  311    H    GLY  41           H        GLY  41  -2.375  13.329   7.301
  312   1HA   GLY  41          2HA       GLY  41  -4.665  12.924   7.591
  313   2HA   GLY  41          1HA       GLY  41  -4.977  13.841   6.139
  314    H    GLY  42           H        GLY  42  -2.997  10.858   6.593
  315   1HA   GLY  42          2HA       GLY  42  -4.650   9.734   4.414
  316   2HA   GLY  42          1HA       GLY  42  -2.923   9.460   4.566
  317    H    ASN  43           H        ASN  43  -3.134   7.181   4.561
  318    HA   ASN  43           HA       ASN  43  -4.563   5.712   6.702
  319   1HB   ASN  43          2HB       ASN  43  -4.831   4.061   4.994
  320   2HB   ASN  43          1HB       ASN  43  -5.509   5.549   4.350
  321   1HD2  ASN  43          1HD2      ASN  43  -4.552   3.237   2.902
  322   2HD2  ASN  43          2HD2      ASN  43  -3.218   3.781   1.920
  323    H    GLU  44           H        GLU  44  -3.577   3.746   7.176
  324    HA   GLU  44           HA       GLU  44  -0.757   4.021   7.716
  325   1HB   GLU  44          2HB       GLU  44  -2.700   1.807   8.352
  326   2HB   GLU  44          1HB       GLU  44  -1.085   2.012   9.009
  327   1HG   GLU  44          2HG       GLU  44  -3.460   3.793   9.456
  328   2HG   GLU  44          1HG       GLU  44  -2.698   2.723  10.632
  329    H    ASN  45           H        ASN  45  -2.717   2.420   5.390
  330    HA   ASN  45           HA       ASN  45  -0.644   0.540   4.562
  331   1HB   ASN  45          2HB       ASN  45  -3.096  -0.055   4.381
  332   2HB   ASN  45          1HB       ASN  45  -3.328   1.320   3.323
  333   1HD2  ASN  45          1HD2      ASN  45  -4.289  -0.294   1.982
  334   2HD2  ASN  45          2HD2      ASN  45  -3.318  -1.241   0.917
  335    H    ASN  46           H        ASN  46   0.889   1.841   4.368
  336    HA   ASN  46           HA       ASN  46   0.961   3.649   2.082
  337   1HB   ASN  46          2HB       ASN  46   0.350   4.945   4.106
  338   2HB   ASN  46          1HB       ASN  46   1.796   4.347   4.898
  339   1HD2  ASN  46          1HD2      ASN  46   1.012   7.001   4.449
  340   2HD2  ASN  46          2HD2      ASN  46   2.241   7.774   3.528
  341    H    PHE  47           H        PHE  47   2.561   2.652   0.952
  342    HA   PHE  47           HA       PHE  47   4.869   1.995   2.514
  343   1HB   PHE  47          2HB       PHE  47   3.926   0.783  -0.075
  344   2HB   PHE  47          1HB       PHE  47   5.478   0.402   0.667
  345    HD1  PHE  47           1HD      PHE  47   5.485  -0.615   2.968
  346    HD2  PHE  47           2HD      PHE  47   1.937  -0.227   0.659
  347    HE1  PHE  47           1HE      PHE  47   4.376  -2.285   4.385
  348    HE2  PHE  47           2HE      PHE  47   0.825  -1.897   2.075
  349    HZ   PHE  47           HZ       PHE  47   2.044  -2.926   3.938
  350    H    ARG  48           H        ARG  48   6.816   2.751   1.662
  351    HA   ARG  48           HA       ARG  48   6.749   4.923  -0.396
  352   1HB   ARG  48          2HB       ARG  48   7.684   5.462   1.868
  353   2HB   ARG  48          1HB       ARG  48   8.922   4.243   1.587
  354   1HG   ARG  48          2HG       ARG  48  10.032   6.156   0.952
  355   2HG   ARG  48          1HG       ARG  48   9.400   5.592  -0.586
  356   1HD   ARG  48          2HD       ARG  48   8.859   7.883  -0.658
  357   2HD   ARG  48          1HD       ARG  48   7.379   7.217  -0.029
  358    HE   ARG  48           HE       ARG  48   8.578   7.699   2.236
  359   1HH1  ARG  48          1HH1      ARG  48   8.551   9.686  -0.677
  360   2HH1  ARG  48          2HH1      ARG  48   8.782  11.163   0.128
  361   1HH2  ARG  48          1HH2      ARG  48   8.911   9.744   3.402
  362   2HH2  ARG  48          2HH2      ARG  48   8.973  11.187   2.533
  363    H    ARG  49           H        ARG  49   7.689   1.512   0.002
  364    HA   ARG  49           HA       ARG  49   9.400   1.920  -2.224
  365   1HB   ARG  49          2HB       ARG  49  10.750   1.769  -0.186
  366   2HB   ARG  49          1HB       ARG  49   9.966   0.258   0.244
  367   1HG   ARG  49          2HG       ARG  49  11.010  -0.858  -1.618
  368   2HG   ARG  49          1HG       ARG  49  11.698   0.664  -2.186
  369   1HD   ARG  49          2HD       ARG  49  12.944   0.842  -0.050
  370   2HD   ARG  49          1HD       ARG  49  12.318  -0.736   0.415
  371    HE   ARG  49           HE       ARG  49  13.500  -1.512  -1.731
  372   1HH1  ARG  49          1HH1      ARG  49  14.714   1.071   0.383
  373   2HH1  ARG  49          2HH1      ARG  49  16.329   0.903  -0.092
  374   1HH2  ARG  49          1HH2      ARG  49  15.707  -1.825  -2.317
  375   2HH2  ARG  49          2HH2      ARG  49  16.923  -0.810  -1.671
  376    H    THR  50           H        THR  50   9.185   0.269  -3.735
  377    HA   THR  50           HA       THR  50   6.777  -1.109  -3.900
  378    HB   THR  50           HB       THR  50   9.232  -1.627  -5.576
  379    HG1  THR  50           1HG      THR  50   7.381   0.568  -5.755
  380   1HG2  THR  50          1HG2      THR  50   7.198  -2.940  -6.090
  381   2HG2  THR  50          2HG2      THR  50   7.565  -1.794  -7.376
  382   3HG2  THR  50          3HG2      THR  50   6.275  -1.445  -6.224
  383    H    TYR  51           H        TYR  51   9.960  -2.252  -2.842
  384    HA   TYR  51           HA       TYR  51   9.140  -4.985  -2.889
  385   1HB   TYR  51          2HB       TYR  51  11.512  -4.519  -3.076
  386   2HB   TYR  51          1HB       TYR  51  11.514  -3.669  -1.536
  387    HD1  TYR  51           1HD      TYR  51  12.259  -4.800   0.338
  388    HD2  TYR  51           2HD      TYR  51  10.740  -7.049  -2.937
  389    HE1  TYR  51           1HE      TYR  51  12.823  -6.881   1.511
  390    HE2  TYR  51           2HE      TYR  51  11.301  -9.134  -1.776
  391    HH   TYR  51           HH       TYR  51  12.838  -9.880  -0.038
  392    H    ASP  52           H        ASP  52   9.331  -2.462  -0.467
  393    HA   ASP  52           HA       ASP  52   8.758  -4.065   1.812
  394   1HB   ASP  52          2HB       ASP  52   8.223  -1.141   1.314
  395   2HB   ASP  52          1HB       ASP  52   7.681  -1.915   2.798
  396    H    CYS  53           H        CYS  53   6.451  -2.436  -0.301
  397    HA   CYS  53           HA       CYS  53   4.127  -3.344   1.046
  398   1HB   CYS  53          2HB       CYS  53   2.914  -3.056  -1.087
  399   2HB   CYS  53          1HB       CYS  53   3.897  -1.676  -0.645
  400    H    GLN  54           H        GLN  54   5.644  -4.564  -1.463
  401    HA   GLN  54           HA       GLN  54   4.308  -7.076  -1.887
  402   1HB   GLN  54          2HB       GLN  54   5.435  -6.305  -3.749
  403   2HB   GLN  54          1HB       GLN  54   7.037  -6.470  -2.987
  404   1HG   GLN  54          2HG       GLN  54   6.808  -8.861  -3.093
  405   2HG   GLN  54          1HG       GLN  54   5.137  -8.712  -3.643
  406   1HE2  GLN  54          1HE2      GLN  54   4.733  -8.034  -5.724
  407   2HE2  GLN  54          2HE2      GLN  54   5.923  -8.079  -6.970
  408    H    ARG  55           H        ARG  55   7.197  -6.639  -0.152
  409    HA   ARG  55           HA       ARG  55   7.551  -9.417   0.724
  410   1HB   ARG  55          2HB       ARG  55   9.298  -7.572   0.824
  411   2HB   ARG  55          1HB       ARG  55   8.321  -6.815   2.063
  412   1HG   ARG  55          2HG       ARG  55   8.646  -8.850   3.461
  413   2HG   ARG  55          1HG       ARG  55   9.773  -9.436   2.229
  414   1HD   ARG  55          2HD       ARG  55  10.995  -7.270   2.450
  415   2HD   ARG  55          1HD       ARG  55   9.977  -6.914   3.835
  416    HE   ARG  55           HE       ARG  55  11.197  -9.398   4.226
  417   1HH1  ARG  55          1HH1      ARG  55  11.924  -5.944   4.180
  418   2HH1  ARG  55          2HH1      ARG  55  13.350  -6.061   5.094
  419   1HH2  ARG  55          1HH2      ARG  55  13.155  -9.610   5.407
  420   2HH2  ARG  55          2HH2      ARG  55  14.107  -8.235   5.809
  421    H    THR  56           H        THR  56   5.976  -6.566   2.473
  422    HA   THR  56           HA       THR  56   5.354  -8.543   4.335
  423    HB   THR  56           HB       THR  56   5.701  -6.236   5.070
  424    HG1  THR  56           1HG      THR  56   3.647  -7.803   5.803
  425   1HG2  THR  56          1HG2      THR  56   3.067  -5.650   3.713
  426   2HG2  THR  56          2HG2      THR  56   4.649  -5.059   3.205
  427   3HG2  THR  56          3HG2      THR  56   3.965  -4.536   4.747
  428    H    CYS  57           H        CYS  57   3.473  -7.315   1.622
  429    HA   CYS  57           HA       CYS  57   1.159  -8.738   2.693
  430   1HB   CYS  57          2HB       CYS  57   1.247  -6.750   0.446
  431   2HB   CYS  57          1HB       CYS  57  -0.185  -7.452   1.181
  432    H    LEU  58           H        LEU  58   3.499  -9.262   0.204
  433    HA   LEU  58           HA       LEU  58   1.568 -10.982  -1.119
  434   1HB   LEU  58          2HB       LEU  58   2.771  -9.421  -2.573
  435   2HB   LEU  58          1HB       LEU  58   4.290 -10.158  -2.113
  436    HG   LEU  58           HG       LEU  58   3.497 -12.297  -3.137
  437   1HD1  LEU  58          1HD1      LEU  58   1.604 -12.227  -4.671
  438   2HD1  LEU  58          2HD1      LEU  58   1.241 -10.585  -4.147
  439   3HD1  LEU  58          3HD1      LEU  58   1.114 -11.925  -3.003
  440   1HD2  LEU  58          1HD2      LEU  58   4.969 -10.791  -4.358
  441   2HD2  LEU  58          2HD2      LEU  58   3.571  -9.904  -4.967
  442   3HD2  LEU  58          3HD2      LEU  58   3.835 -11.582  -5.452
  443    H    TYR  59           H        TYR  59   4.316 -11.159   0.933
  444    HA   TYR  59           HA       TYR  59   4.810 -13.875   0.116
  445   1HB   TYR  59          2HB       TYR  59   6.458 -12.020   1.842
  446   2HB   TYR  59          1HB       TYR  59   6.827 -13.727   1.651
  447    HD1  TYR  59           1HD      TYR  59   8.011 -14.494  -0.206
  448    HD2  TYR  59           2HD      TYR  59   6.486 -10.539  -0.232
  449    HE1  TYR  59           1HE      TYR  59   9.271 -14.032  -2.253
  450    HE2  TYR  59           2HE      TYR  59   7.744 -10.057  -2.278
  451    HH   TYR  59           HH       TYR  59   9.592 -10.841  -3.541
  452    H    THR  60           H        THR  60   2.827 -14.700   1.089
  453    HA   THR  60           HA       THR  60   2.940 -15.020   3.863
  454    HB   THR  60           HB       THR  60   1.811 -12.840   3.724
  455    HG1  THR  60           1HG      THR  60  -0.467 -13.892   4.309
  456   1HG2  THR  60          1HG2      THR  60  -0.347 -12.570   2.541
  457   2HG2  THR  60          2HG2      THR  60  -0.161 -14.190   1.870
  458   3HG2  THR  60          3HG2      THR  60   0.980 -12.921   1.430
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1  -3.450 -16.275  10.471
    2   2H    LYS   1          2HT       LYS   1  -3.871 -17.189   9.117
    3   3H    LYS   1          3HT       LYS   1  -5.071 -16.436  10.011
    4    HA   LYS   1           HA       LYS   1  -4.296 -14.278   9.397
    5   1HB   LYS   1          2HB       LYS   1  -2.097 -15.816   8.117
    6   2HB   LYS   1          1HB       LYS   1  -2.623 -14.284   7.422
    7   1HG   LYS   1          2HG       LYS   1  -1.627 -14.734  10.233
    8   2HG   LYS   1          1HG       LYS   1  -0.784 -13.885   8.928
    9   1HD   LYS   1          2HD       LYS   1  -2.587 -12.222   8.844
   10   2HD   LYS   1          1HD       LYS   1  -3.426 -13.062  10.147
   11   1HE   LYS   1          2HE       LYS   1  -1.452 -12.627  11.600
   12   2HE   LYS   1          1HE       LYS   1  -0.758 -11.669  10.291
   13   1HZ   LYS   1          1HZ       LYS   1  -2.747 -10.227  10.405
   14   2HZ   LYS   1          2HZ       LYS   1  -1.887 -10.222  11.845
   15   3HZ   LYS   1          3HZ       LYS   1  -3.315 -11.113  11.709
   16    H    ASP   2           H        ASP   2  -5.891 -13.661   8.514
   17    HA   ASP   2           HA       ASP   2  -6.658 -14.562   5.818
   18   1HB   ASP   2          2HB       ASP   2  -8.291 -15.381   7.455
   19   2HB   ASP   2          1HB       ASP   2  -8.454 -13.760   8.119
   20    H    ARG   3           H        ARG   3  -5.840 -12.829   4.734
   21    HA   ARG   3           HA       ARG   3  -5.402 -10.802   3.987
   22   1HB   ARG   3          2HB       ARG   3  -7.571  -9.870   5.886
   23   2HB   ARG   3          1HB       ARG   3  -6.617  -8.731   4.954
   24   1HG   ARG   3          2HG       ARG   3  -8.530  -8.975   3.697
   25   2HG   ARG   3          1HG       ARG   3  -7.402 -10.079   2.917
   26   1HD   ARG   3          2HD       ARG   3  -9.552 -11.130   3.092
   27   2HD   ARG   3          1HD       ARG   3  -8.432 -11.936   4.190
   28    HE   ARG   3           HE       ARG   3  -9.717 -11.332   5.915
   29   1HH1  ARG   3          1HH1      ARG   3 -10.724  -9.338   3.124
   30   2HH1  ARG   3          2HH1      ARG   3 -11.909  -8.471   3.966
   31   1HH2  ARG   3          1HH2      ARG   3 -11.379 -10.131   7.084
   32   2HH2  ARG   3          2HH2      ARG   3 -12.314  -8.964   6.265
   33    HA   PRO   4           HA       PRO   4  -1.891  -9.952   6.262
   34   1HB   PRO   4          2HB       PRO   4  -2.056  -7.282   4.896
   35   2HB   PRO   4          1HB       PRO   4  -0.668  -8.375   5.044
   36   1HG   PRO   4          2HG       PRO   4  -2.031  -8.256   2.794
   37   2HG   PRO   4          1HG       PRO   4  -1.521  -9.837   3.437
   38   1HD   PRO   4          2HD       PRO   4  -4.223  -8.554   3.489
   39   2HD   PRO   4          1HD       PRO   4  -3.789 -10.254   3.236
   40    H    SER   5           H        SER   5  -1.249  -9.069   8.078
   41    HA   SER   5           HA       SER   5  -2.642  -7.844   9.843
   42   1HB   SER   5          2HB       SER   5   0.260  -7.189   9.430
   43   2HB   SER   5          1HB       SER   5  -0.609  -7.100  10.966
   44    HG   SER   5           HG       SER   5   0.378  -9.033  10.904
   45    H    LEU   6           H        LEU   6  -0.472  -6.201   7.587
   46    HA   LEU   6           HA       LEU   6  -1.874  -3.764   8.254
   47   1HB   LEU   6          2HB       LEU   6   0.141  -2.459   7.463
   48   2HB   LEU   6          1HB       LEU   6   0.243  -3.318   8.976
   49    HG   LEU   6           HG       LEU   6   1.537  -5.105   7.737
   50   1HD1  LEU   6          1HD1      LEU   6   0.869  -4.554   5.487
   51   2HD1  LEU   6          2HD1      LEU   6   2.622  -4.417   5.667
   52   3HD1  LEU   6          3HD1      LEU   6   1.619  -2.965   5.637
   53   1HD2  LEU   6          1HD2      LEU   6   2.581  -3.484   9.206
   54   2HD2  LEU   6          2HD2      LEU   6   2.680  -2.325   7.880
   55   3HD2  LEU   6          3HD2      LEU   6   3.612  -3.823   7.818
   56    H    CYS   7           H        CYS   7  -1.819  -5.863   5.913
   57    HA   CYS   7           HA       CYS   7  -2.793  -3.752   4.204
   58   1HB   CYS   7          2HB       CYS   7  -1.299  -6.147   3.127
   59   2HB   CYS   7          1HB       CYS   7  -2.326  -5.161   2.088
   60    H    ASP   8           H        ASP   8  -4.196  -5.060   6.021
   61    HA   ASP   8           HA       ASP   8  -6.637  -5.539   4.428
   62   1HB   ASP   8          2HB       ASP   8  -6.144  -6.996   6.457
   63   2HB   ASP   8          1HB       ASP   8  -6.174  -5.550   7.451
   64    H    LEU   9           H        LEU   9  -5.186  -3.136   4.266
   65    HA   LEU   9           HA       LEU   9  -5.421  -1.267   6.326
   66   1HB   LEU   9          2HB       LEU   9  -4.050   0.023   4.922
   67   2HB   LEU   9          1HB       LEU   9  -3.487  -1.625   4.758
   68    HG   LEU   9           HG       LEU   9  -5.367  -0.402   2.717
   69   1HD1  LEU   9          1HD1      LEU   9  -3.453   1.043   2.824
   70   2HD1  LEU   9          2HD1      LEU   9  -3.446   0.106   1.331
   71   3HD1  LEU   9          3HD1      LEU   9  -2.376  -0.340   2.661
   72   1HD2  LEU   9          1HD2      LEU   9  -4.421  -2.066   1.208
   73   2HD2  LEU   9          2HD2      LEU   9  -5.106  -2.839   2.637
   74   3HD2  LEU   9          3HD2      LEU   9  -3.361  -2.640   2.491
   75    HA   PRO  10           HA       PRO  10  -8.661   0.831   4.215
   76   1HB   PRO  10          2HB       PRO  10  -7.639   3.354   5.310
   77   2HB   PRO  10          1HB       PRO  10  -9.178   2.552   5.634
   78   1HG   PRO  10          2HG       PRO  10  -7.178   2.714   7.466
   79   2HG   PRO  10          1HG       PRO  10  -8.342   1.376   7.412
   80   1HD   PRO  10          2HD       PRO  10  -5.536   1.491   6.397
   81   2HD   PRO  10          1HD       PRO  10  -6.392   0.163   7.214
   82    H    ALA  11           H        ALA  11  -8.167   0.808   2.132
   83    HA   ALA  11           HA       ALA  11  -5.722   2.155   0.906
   84   1HB   ALA  11          1HB       ALA  11  -8.317   0.989  -0.280
   85   2HB   ALA  11          2HB       ALA  11  -6.743   0.192  -0.366
   86   3HB   ALA  11          3HB       ALA  11  -7.015   1.698  -1.237
   87    H    ASP  12           H        ASP  12  -5.700   3.908   1.721
   88    HA   ASP  12           HA       ASP  12  -7.870   5.789   1.138
   89   1HB   ASP  12          2HB       ASP  12  -8.056   5.296   3.537
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.699   3.753
   91    H    SER  13           H        SER  13  -7.582   7.706   0.410
   92    HA   SER  13           HA       SER  13  -4.895   8.093  -0.769
   93   1HB   SER  13          2HB       SER  13  -6.082   9.601  -2.261
   94   2HB   SER  13          1HB       SER  13  -6.805   7.991  -2.295
   95    HG   SER  13           HG       SER  13  -7.762  10.383  -1.404
   96    H    GLY  14           H        GLY  14  -6.798   9.471   1.708
   97   1HA   GLY  14          2HA       GLY  14  -5.796  10.853   3.301
   98   2HA   GLY  14          1HA       GLY  14  -4.539  11.234   2.141
   99    H    SER  15           H        SER  15  -5.401  13.269   3.529
  100    HA   SER  15           HA       SER  15  -7.590  14.619   2.081
  101   1HB   SER  15          2HB       SER  15  -6.825  14.841   4.994
  102   2HB   SER  15          1HB       SER  15  -8.144  15.679   4.185
  103    HG   SER  15           HG       SER  15  -8.646  13.274   3.593
  104    H    GLY  16           H        GLY  16  -4.545  14.635   1.710
  105   1HA   GLY  16          2HA       GLY  16  -3.637  16.989   3.079
  106   2HA   GLY  16          1HA       GLY  16  -2.688  15.877   2.123
  107    H    THR  17           H        THR  17  -2.107  18.175   1.897
  108    HA   THR  17           HA       THR  17  -3.303  19.550  -0.527
  109    HB   THR  17           HB       THR  17  -2.946  20.877   1.653
  110    HG1  THR  17           1HG      THR  17  -1.872  22.604   0.477
  111   1HG2  THR  17          1HG2      THR  17  -0.657  21.656   2.093
  112   2HG2  THR  17          2HG2      THR  17  -0.048  20.578   0.837
  113   3HG2  THR  17          3HG2      THR  17  -0.780  19.906   2.296
  114    H    LYS  18           H        LYS  18  -0.792  17.347   0.115
  115    HA   LYS  18           HA       LYS  18   1.211  18.402  -1.775
  116   1HB   LYS  18          2HB       LYS  18   1.809  17.923   0.612
  117   2HB   LYS  18          1HB       LYS  18   1.054  16.356   0.466
  118   1HG   LYS  18          2HG       LYS  18   2.764  15.818  -1.308
  119   2HG   LYS  18          1HG       LYS  18   3.569  17.327  -0.873
  120   1HD   LYS  18          2HD       LYS  18   3.883  16.559   1.394
  121   2HD   LYS  18          1HD       LYS  18   2.947  15.097   1.063
  122   1HE   LYS  18          2HE       LYS  18   4.644  14.449  -0.614
  123   2HE   LYS  18          1HE       LYS  18   5.589  15.868  -0.168
  124   1HZ   LYS  18          1HZ       LYS  18   5.943  14.986   2.011
  125   2HZ   LYS  18          2HZ       LYS  18   6.299  13.747   0.922
  126   3HZ   LYS  18          3HZ       LYS  18   4.856  13.725   1.776
  127    H    ALA  19           H        ALA  19   1.956  16.879  -3.172
  128    HA   ALA  19           HA       ALA  19   0.267  14.483  -3.669
  129   1HB   ALA  19          1HB       ALA  19   0.153  16.119  -5.525
  130   2HB   ALA  19          2HB       ALA  19   0.967  14.632  -6.001
  131   3HB   ALA  19          3HB       ALA  19   1.910  16.079  -5.641
  132    H    GLU  20           H        GLU  20   1.221  12.659  -3.289
  133    HA   GLU  20           HA       GLU  20   4.112  12.620  -3.313
  134   1HB   GLU  20          2HB       GLU  20   3.431  13.186  -1.066
  135   2HB   GLU  20          1HB       GLU  20   2.345  11.805  -1.017
  136   1HG   GLU  20          2HG       GLU  20   4.274  11.305   0.247
  137   2HG   GLU  20          1HG       GLU  20   4.305  10.334  -1.221
  138    H    LYS  21           H        LYS  21   4.860  10.665  -4.094
  139    HA   LYS  21           HA       LYS  21   2.896   8.733  -5.118
  140   1HB   LYS  21          2HB       LYS  21   4.540   9.905  -6.663
  141   2HB   LYS  21          1HB       LYS  21   5.835   9.284  -5.677
  142   1HG   LYS  21          2HG       LYS  21   3.923   7.479  -7.163
  143   2HG   LYS  21          1HG       LYS  21   5.360   8.153  -7.918
  144   1HD   LYS  21          2HD       LYS  21   6.712   7.054  -6.093
  145   2HD   LYS  21          1HD       LYS  21   5.226   6.265  -5.561
  146   1HE   LYS  21          2HE       LYS  21   6.504   4.762  -6.991
  147   2HE   LYS  21          1HE       LYS  21   5.001   5.228  -7.788
  148   1HZ   LYS  21          1HZ       LYS  21   7.669   6.427  -8.323
  149   2HZ   LYS  21          2HZ       LYS  21   6.245   6.836  -9.123
  150   3HZ   LYS  21          3HZ       LYS  21   6.902   5.311  -9.325
  151    H    ARG  22           H        ARG  22   2.327   7.312  -3.569
  152    HA   ARG  22           HA       ARG  22   4.637   6.182  -2.429
  153   1HB   ARG  22          2HB       ARG  22   1.881   6.604  -1.342
  154   2HB   ARG  22          1HB       ARG  22   3.086   5.611  -0.534
  155   1HG   ARG  22          2HG       ARG  22   3.488   8.506  -1.266
  156   2HG   ARG  22          1HG       ARG  22   2.928   7.942   0.309
  157   1HD   ARG  22          2HD       ARG  22   4.984   6.782   0.698
  158   2HD   ARG  22          1HD       ARG  22   5.526   7.079  -0.957
  159    HE   ARG  22           HE       ARG  22   5.661   9.414  -0.403
  160   1HH1  ARG  22          1HH1      ARG  22   5.380   7.307   2.453
  161   2HH1  ARG  22          2HH1      ARG  22   6.195   8.394   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.732  10.909   1.026
  163   2HH2  ARG  22          2HH2      ARG  22   7.021  10.482   2.629
  164    H    ILE  23           H        ILE  23   3.575   3.652  -1.508
  165    HA   ILE  23           HA       ILE  23   1.743   2.806  -3.597
  166    HB   ILE  23           HB       ILE  23   4.051   2.217  -4.399
  167   1HG1  ILE  23          2HG1      ILE  23   2.529  -0.257  -3.586
  168   2HG1  ILE  23          1HG1      ILE  23   2.126   0.756  -4.972
  169   1HG2  ILE  23          1HG2      ILE  23   4.191   0.518  -1.933
  170   2HG2  ILE  23          2HG2      ILE  23   5.210   1.928  -2.285
  171   3HG2  ILE  23          3HG2      ILE  23   5.325   0.457  -3.268
  172   1HD1  ILE  23          1HD1      ILE  23   3.368  -1.225  -5.650
  173   2HD1  ILE  23          2HD1      ILE  23   4.697  -0.765  -4.584
  174   3HD1  ILE  23          3HD1      ILE  23   4.290   0.246  -5.975
  175    H    TYR  24           H        TYR  24   0.376   1.064  -2.927
  176    HA   TYR  24           HA       TYR  24   0.910  -0.096  -0.382
  177   1HB   TYR  24          2HB       TYR  24  -1.339   0.313   0.563
  178   2HB   TYR  24          1HB       TYR  24  -0.448   1.792   0.351
  179    HD1  TYR  24           1HD      TYR  24  -2.540   2.978   0.733
  180    HD2  TYR  24           2HD      TYR  24  -2.149   0.382  -2.612
  181    HE1  TYR  24           1HE      TYR  24  -4.541   3.974  -0.261
  182    HE2  TYR  24           2HE      TYR  24  -4.155   1.386  -3.621
  183    HH   TYR  24           HH       TYR  24  -5.540   4.268  -2.547
  184    H    TYR  25           H        TYR  25  -1.012  -1.885   0.044
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.423  -2.175
  186   1HB   TYR  25          2HB       TYR  25  -0.365  -4.113   0.054
  187   2HB   TYR  25          1HB       TYR  25  -2.048  -3.814   0.431
  188    HD1  TYR  25           1HD      TYR  25   0.109  -5.844  -1.815
  189    HD2  TYR  25           2HD      TYR  25  -3.526  -5.600   0.372
  190    HE1  TYR  25           1HE      TYR  25  -0.312  -8.220  -2.258
  191    HE2  TYR  25           2HE      TYR  25  -3.962  -7.971  -0.078
  192    HH   TYR  25           HH       TYR  25  -1.557 -10.038  -1.273
  193    H    ASN  26           H        ASN  26  -2.368  -4.035  -3.620
  194    HA   ASN  26           HA       ASN  26  -5.126  -3.188  -3.062
  195   1HB   ASN  26          2HB       ASN  26  -4.168  -2.465  -5.257
  196   2HB   ASN  26          1HB       ASN  26  -3.858  -4.155  -5.643
  197   1HD2  ASN  26          1HD2      ASN  26  -6.293  -1.680  -5.313
  198   2HD2  ASN  26          2HD2      ASN  26  -7.561  -2.581  -6.041
  199    H    SER  27           H        SER  27  -6.425  -4.510  -2.590
  200    HA   SER  27           HA       SER  27  -5.407  -6.984  -1.863
  201   1HB   SER  27          2HB       SER  27  -8.266  -6.112  -1.429
  202   2HB   SER  27          1HB       SER  27  -7.524  -7.522  -0.670
  203    HG   SER  27           HG       SER  27  -6.485  -6.309   0.643
  204    H    ALA  28           H        ALA  28  -7.771  -6.053  -4.263
  205    HA   ALA  28           HA       ALA  28  -8.858  -8.637  -4.754
  206   1HB   ALA  28          1HB       ALA  28  -9.948  -7.544  -6.658
  207   2HB   ALA  28          2HB       ALA  28  -8.963  -6.108  -6.383
  208   3HB   ALA  28          3HB       ALA  28 -10.131  -6.622  -5.164
  209    H    ARG  29           H        ARG  29  -6.562  -6.556  -6.218
  210    HA   ARG  29           HA       ARG  29  -5.836  -8.427  -8.358
  211   1HB   ARG  29          2HB       ARG  29  -4.627  -5.783  -7.609
  212   2HB   ARG  29          1HB       ARG  29  -3.817  -6.853  -8.726
  213   1HG   ARG  29          2HG       ARG  29  -4.993  -5.131  -9.911
  214   2HG   ARG  29          1HG       ARG  29  -5.746  -6.687 -10.242
  215   1HD   ARG  29          2HD       ARG  29  -7.641  -6.152  -9.046
  216   2HD   ARG  29          1HD       ARG  29  -6.807  -4.932  -8.075
  217    HE   ARG  29           HE       ARG  29  -6.638  -4.049 -10.629
  218   1HH1  ARG  29          1HH1      ARG  29  -9.419  -5.056  -8.750
  219   2HH1  ARG  29          2HH1      ARG  29 -10.391  -3.698  -9.103
  220   1HH2  ARG  29          1HH2      ARG  29  -7.976  -2.244 -11.276
  221   2HH2  ARG  29          2HH2      ARG  29  -9.529  -2.047 -10.625
  222    H    LYS  30           H        LYS  30  -5.074  -8.154  -5.184
  223    HA   LYS  30           HA       LYS  30  -3.380  -8.721  -3.759
  224   1HB   LYS  30          2HB       LYS  30  -4.172 -10.959  -4.460
  225   2HB   LYS  30          1HB       LYS  30  -3.086 -10.933  -5.835
  226   1HG   LYS  30          2HG       LYS  30  -1.167 -11.071  -4.350
  227   2HG   LYS  30          1HG       LYS  30  -2.229 -10.990  -2.944
  228   1HD   LYS  30          2HD       LYS  30  -3.198 -13.108  -3.486
  229   2HD   LYS  30          1HD       LYS  30  -2.357 -13.152  -5.038
  230   1HE   LYS  30          2HE       LYS  30  -0.221 -13.275  -3.915
  231   2HE   LYS  30          1HE       LYS  30  -1.006 -13.134  -2.344
  232   1HZ   LYS  30          1HZ       LYS  30  -0.361 -15.422  -3.068
  233   2HZ   LYS  30          2HZ       LYS  30  -1.628 -15.363  -4.208
  234   3HZ   LYS  30          3HZ       LYS  30  -1.946 -15.223  -2.555
  235    H    GLN  31           H        GLN  31  -2.731  -6.912  -5.335
  236    HA   GLN  31           HA       GLN  31   0.311  -6.936  -5.721
  237   1HB   GLN  31          2HB       GLN  31   0.384  -6.208  -7.885
  238   2HB   GLN  31          1HB       GLN  31  -0.911  -7.376  -7.934
  239   1HG   GLN  31          2HG       GLN  31  -2.555  -5.570  -7.933
  240   2HG   GLN  31          1HG       GLN  31  -1.256  -4.380  -7.836
  241   1HE2  GLN  31          1HE2      GLN  31  -3.251  -4.607  -9.942
  242   2HE2  GLN  31          2HE2      GLN  31  -2.392  -4.946 -11.386
  243    H    CYS  32           H        CYS  32   1.590  -5.051  -5.433
  244    HA   CYS  32           HA       CYS  32   0.206  -3.308  -3.868
  245   1HB   CYS  32          2HB       CYS  32   3.031  -3.634  -4.817
  246   2HB   CYS  32          1HB       CYS  32   2.516  -2.324  -3.767
  247    H    LEU  33           H        LEU  33  -0.243  -1.118  -4.653
  248    HA   LEU  33           HA       LEU  33   0.800  -0.193  -7.212
  249   1HB   LEU  33          2HB       LEU  33  -1.435   0.301  -8.083
  250   2HB   LEU  33          1HB       LEU  33  -1.103  -1.411  -8.007
  251    HG   LEU  33           HG       LEU  33  -2.559  -1.479  -5.925
  252   1HD1  LEU  33          1HD1      LEU  33  -2.545   0.899  -5.361
  253   2HD1  LEU  33          2HD1      LEU  33  -4.187   0.308  -5.630
  254   3HD1  LEU  33          3HD1      LEU  33  -3.383   1.267  -6.870
  255   1HD2  LEU  33          1HD2      LEU  33  -4.621  -1.487  -7.232
  256   2HD2  LEU  33          2HD2      LEU  33  -3.296  -2.270  -8.091
  257   3HD2  LEU  33          3HD2      LEU  33  -3.793  -0.636  -8.537
  258    H    ARG  34           H        ARG  34   0.680   1.703  -7.668
  259    HA   ARG  34           HA       ARG  34   1.103   3.433  -5.458
  260   1HB   ARG  34          2HB       ARG  34   2.525   3.379  -7.475
  261   2HB   ARG  34          1HB       ARG  34   1.178   3.867  -8.459
  262   1HG   ARG  34          2HG       ARG  34   2.465   5.630  -6.363
  263   2HG   ARG  34          1HG       ARG  34   2.947   5.601  -8.048
  264   1HD   ARG  34          2HD       ARG  34   0.363   6.134  -8.414
  265   2HD   ARG  34          1HD       ARG  34   0.506   6.726  -6.754
  266    HE   ARG  34           HE       ARG  34   2.088   7.717  -9.041
  267   1HH1  ARG  34          1HH1      ARG  34   0.602   8.373  -5.871
  268   2HH1  ARG  34          2HH1      ARG  34   0.935  10.046  -5.958
  269   1HH2  ARG  34          1HH2      ARG  34   2.544   9.971  -9.087
  270   2HH2  ARG  34          2HH2      ARG  34   2.100  10.979  -7.803
  271    H    PHE  35           H        PHE  35   0.034   5.051  -4.908
  272    HA   PHE  35           HA       PHE  35  -2.379   5.299  -6.117
  273   1HB   PHE  35          2HB       PHE  35  -3.647   5.825  -3.889
  274   2HB   PHE  35          1HB       PHE  35  -2.993   4.221  -4.095
  275    HD1  PHE  35           1HD      PHE  35  -3.444   6.788  -1.861
  276    HD2  PHE  35           2HD      PHE  35  -0.438   4.047  -3.116
  277    HE1  PHE  35           1HE      PHE  35  -2.346   6.991   0.318
  278    HE2  PHE  35           2HE      PHE  35   0.664   4.256  -0.934
  279    HZ   PHE  35           HZ       PHE  35  -0.294   5.723   0.790
  280    H    ASP  36           H        ASP  36  -3.285   8.009  -5.165
  281    HA   ASP  36           HA       ASP  36  -0.840   9.459  -5.107
  282   1HB   ASP  36          2HB       ASP  36  -3.615  10.198  -5.985
  283   2HB   ASP  36          1HB       ASP  36  -2.458  11.461  -5.599
  284    H    TYR  37           H        TYR  37  -0.392   9.210  -3.011
  285    HA   TYR  37           HA       TYR  37  -2.209   9.853  -0.856
  286   1HB   TYR  37          2HB       TYR  37  -0.429   8.143  -0.727
  287   2HB   TYR  37          1HB       TYR  37   0.776   9.360  -1.045
  288    HD1  TYR  37           1HD      TYR  37  -1.977   8.612   1.403
  289    HD2  TYR  37           2HD      TYR  37   1.888  10.297   0.819
  290    HE1  TYR  37           1HE      TYR  37  -1.779   8.973   3.828
  291    HE2  TYR  37           2HE      TYR  37   2.093  10.666   3.240
  292    HH   TYR  37           HH       TYR  37   0.751  10.869   5.233
  293    H    THR  38           H        THR  38  -2.495  11.944  -0.008
  294    HA   THR  38           HA       THR  38  -1.024  13.862  -1.441
  295    HB   THR  38           HB       THR  38  -2.934  15.303  -0.450
  296    HG1  THR  38           1HG      THR  38  -4.451  13.028  -0.331
  297   1HG2  THR  38          1HG2      THR  38  -4.453  14.474  -2.206
  298   2HG2  THR  38          2HG2      THR  38  -3.473  13.015  -2.358
  299   3HG2  THR  38          3HG2      THR  38  -2.793  14.582  -2.794
  300    H    GLY  39           H        GLY  39   0.306  12.668   0.703
  301   1HA   GLY  39          2HA       GLY  39   1.638  13.120   2.467
  302   2HA   GLY  39          1HA       GLY  39   1.365  14.785   2.045
  303    H    GLN  40           H        GLN  40  -1.690  14.330   3.080
  304    HA   GLN  40           HA       GLN  40  -0.851  14.323   5.868
  305   1HB   GLN  40          2HB       GLN  40  -1.033  16.666   5.026
  306   2HB   GLN  40          1HB       GLN  40  -2.712  16.360   4.613
  307   1HG   GLN  40          2HG       GLN  40  -2.684  17.536   6.671
  308   2HG   GLN  40          1HG       GLN  40  -3.124  15.860   7.023
  309   1HE2  GLN  40          1HE2      GLN  40  -2.401  16.019   9.151
  310   2HE2  GLN  40          2HE2      GLN  40  -0.723  16.051   9.551
  311    H    GLY  41           H        GLY  41  -2.471  12.973   7.095
  312   1HA   GLY  41          2HA       GLY  41  -4.688  12.600   7.588
  313   2HA   GLY  41          1HA       GLY  41  -5.135  13.432   6.112
  314    H    GLY  42           H        GLY  42  -3.083  10.599   6.579
  315   1HA   GLY  42          2HA       GLY  42  -4.844   9.249   4.681
  316   2HA   GLY  42          1HA       GLY  42  -3.093   9.087   4.690
  317    H    ASN  43           H        ASN  43  -3.083   6.872   4.969
  318    HA   ASN  43           HA       ASN  43  -4.285   5.622   7.330
  319   1HB   ASN  43          2HB       ASN  43  -4.201   3.718   5.911
  320   2HB   ASN  43          1HB       ASN  43  -5.075   4.948   5.013
  321   1HD2  ASN  43          1HD2      ASN  43  -3.647   2.600   4.081
  322   2HD2  ASN  43          2HD2      ASN  43  -2.414   3.165   2.996
  323    H    GLU  44           H        GLU  44  -3.100   3.967   8.014
  324    HA   GLU  44           HA       GLU  44  -0.373   4.672   8.872
  325   1HB   GLU  44          2HB       GLU  44  -2.051   2.233   9.347
  326   2HB   GLU  44          1HB       GLU  44  -0.624   2.750  10.233
  327   1HG   GLU  44          2HG       GLU  44  -3.312   4.105  10.175
  328   2HG   GLU  44          1HG       GLU  44  -2.586   3.230  11.522
  329    H    ASN  45           H        ASN  45  -1.751   2.669   6.435
  330    HA   ASN  45           HA       ASN  45   0.713   1.212   6.146
  331   1HB   ASN  45          2HB       ASN  45  -1.451   0.130   5.701
  332   2HB   ASN  45          1HB       ASN  45  -1.761   1.281   4.407
  333   1HD2  ASN  45          1HD2      ASN  45  -0.134  -1.541   5.338
  334   2HD2  ASN  45          2HD2      ASN  45   0.546  -1.929   3.793
  335    H    ASN  46           H        ASN  46   2.213   3.643   5.294
  336    HA   ASN  46           HA       ASN  46   1.573   3.511   2.679
  337   1HB   ASN  46          2HB       ASN  46   1.299   5.478   4.136
  338   2HB   ASN  46          1HB       ASN  46   2.995   5.369   4.581
  339   1HD2  ASN  46          1HD2      ASN  46   0.722   6.222   2.202
  340   2HD2  ASN  46          2HD2      ASN  46   1.813   7.048   1.142
  341    H    PHE  47           H        PHE  47   3.067   2.788   1.240
  342    HA   PHE  47           HA       PHE  47   5.622   2.194   2.347
  343   1HB   PHE  47          2HB       PHE  47   4.359   1.095  -0.152
  344   2HB   PHE  47          1HB       PHE  47   5.936   0.623   0.480
  345    HD1  PHE  47           1HD      PHE  47   2.616  -0.252   0.354
  346    HD2  PHE  47           2HD      PHE  47   5.849   0.028   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.511  -1.870   1.826
  348    HE2  PHE  47           2HE      PHE  47   4.759  -1.591   4.554
  349    HZ   PHE  47           HZ       PHE  47   2.580  -2.541   3.921
  350    H    ARG  48           H        ARG  48   7.366   3.145   1.414
  351    HA   ARG  48           HA       ARG  48   7.117   5.150  -0.810
  352   1HB   ARG  48          2HB       ARG  48   7.935   5.904   1.430
  353   2HB   ARG  48          1HB       ARG  48   9.285   4.802   1.241
  354   1HG   ARG  48          2HG       ARG  48   9.909   7.099   0.688
  355   2HG   ARG  48          1HG       ARG  48  10.056   6.041  -0.708
  356   1HD   ARG  48          2HD       ARG  48   8.047   6.966  -1.709
  357   2HD   ARG  48          1HD       ARG  48   7.637   7.837  -0.243
  358    HE   ARG  48           HE       ARG  48  10.094   8.725  -0.892
  359   1HH1  ARG  48          1HH1      ARG  48   7.110   8.552  -2.872
  360   2HH1  ARG  48          2HH1      ARG  48   7.298  10.116  -3.500
  361   1HH2  ARG  48          1HH2      ARG  48  10.292  10.904  -1.802
  362   2HH2  ARG  48          2HH2      ARG  48   9.130  11.482  -2.888
  363    H    ARG  49           H        ARG  49   8.251   1.855  -0.221
  364    HA   ARG  49           HA       ARG  49   9.655   2.130  -2.672
  365   1HB   ARG  49          2HB       ARG  49  11.313   2.197  -0.902
  366   2HB   ARG  49          1HB       ARG  49  10.617   0.787  -0.133
  367   1HG   ARG  49          2HG       ARG  49  11.406  -0.644  -1.865
  368   2HG   ARG  49          1HG       ARG  49  11.880   0.736  -2.859
  369   1HD   ARG  49          2HD       ARG  49  13.828  -0.270  -1.802
  370   2HD   ARG  49          1HD       ARG  49  13.562   1.358  -1.192
  371    HE   ARG  49           HE       ARG  49  12.708  -1.029   0.305
  372   1HH1  ARG  49          1HH1      ARG  49  14.434   2.089   0.211
  373   2HH1  ARG  49          2HH1      ARG  49  14.888   2.027   1.850
  374   1HH2  ARG  49          1HH2      ARG  49  13.336  -1.074   2.559
  375   2HH2  ARG  49          2HH2      ARG  49  14.283   0.192   3.196
  376    H    THR  50           H        THR  50   9.256   0.366  -4.012
  377    HA   THR  50           HA       THR  50   6.902  -1.017  -3.910
  378    HB   THR  50           HB       THR  50   9.286  -1.834  -5.557
  379    HG1  THR  50           1HG      THR  50   7.488   0.257  -6.265
  380   1HG2  THR  50          1HG2      THR  50   7.204  -3.154  -5.817
  381   2HG2  THR  50          2HG2      THR  50   7.555  -2.220  -7.269
  382   3HG2  THR  50          3HG2      THR  50   6.312  -1.668  -6.144
  383    H    TYR  51           H        TYR  51  10.185  -2.434  -3.522
  384    HA   TYR  51           HA       TYR  51   9.353  -5.048  -3.003
  385   1HB   TYR  51          2HB       TYR  51  11.650  -4.664  -3.582
  386   2HB   TYR  51          1HB       TYR  51  11.895  -3.611  -2.189
  387    HD1  TYR  51           1HD      TYR  51  13.017  -4.512  -0.402
  388    HD2  TYR  51           2HD      TYR  51  10.834  -7.122  -2.946
  389    HE1  TYR  51           1HE      TYR  51  13.776  -6.422   0.926
  390    HE2  TYR  51           2HE      TYR  51  11.597  -9.048  -1.626
  391    HH   TYR  51           HH       TYR  51  13.330  -9.651  -0.112
  392    H    ASP  52           H        ASP  52   9.652  -2.308  -0.899
  393    HA   ASP  52           HA       ASP  52   9.508  -3.813   1.536
  394   1HB   ASP  52          2HB       ASP  52  10.238  -1.443   1.492
  395   2HB   ASP  52          1HB       ASP  52   8.610  -0.964   1.029
  396    H    CYS  53           H        CYS  53   7.044  -2.345  -0.435
  397    HA   CYS  53           HA       CYS  53   4.713  -3.188   0.987
  398   1HB   CYS  53          2HB       CYS  53   4.694  -1.646  -0.956
  399   2HB   CYS  53          1HB       CYS  53   4.994  -3.024  -2.012
  400    H    GLN  54           H        GLN  54   6.248  -4.505  -1.503
  401    HA   GLN  54           HA       GLN  54   5.112  -7.135  -1.909
  402   1HB   GLN  54          2HB       GLN  54   6.538  -6.331  -3.564
  403   2HB   GLN  54          1HB       GLN  54   7.986  -6.484  -2.528
  404   1HG   GLN  54          2HG       GLN  54   7.471  -8.967  -2.553
  405   2HG   GLN  54          1HG       GLN  54   6.270  -8.619  -3.800
  406   1HE2  GLN  54          1HE2      GLN  54   9.607  -8.947  -3.081
  407   2HE2  GLN  54          2HE2      GLN  54  10.200  -8.705  -4.676
  408    H    ARG  55           H        ARG  55   7.787  -6.367   0.030
  409    HA   ARG  55           HA       ARG  55   8.181  -9.012   1.030
  410   1HB   ARG  55          2HB       ARG  55   9.996  -7.372   0.973
  411   2HB   ARG  55          1HB       ARG  55   9.122  -6.346   2.092
  412   1HG   ARG  55          2HG       ARG  55   9.430  -7.908   3.864
  413   2HG   ARG  55          1HG       ARG  55  10.106  -9.108   2.753
  414   1HD   ARG  55          2HD       ARG  55  11.965  -7.654   2.262
  415   2HD   ARG  55          1HD       ARG  55  11.285  -6.386   3.262
  416    HE   ARG  55           HE       ARG  55  11.573  -7.897   5.166
  417   1HH1  ARG  55          1HH1      ARG  55  13.512  -8.625   2.258
  418   2HH1  ARG  55          2HH1      ARG  55  14.858  -9.177   3.132
  419   1HH2  ARG  55          1HH2      ARG  55  13.468  -8.650   6.363
  420   2HH2  ARG  55          2HH2      ARG  55  14.860  -9.152   5.525
  421    H    THR  56           H        THR  56   6.377  -6.074   2.432
  422    HA   THR  56           HA       THR  56   5.822  -7.853   4.430
  423    HB   THR  56           HB       THR  56   6.104  -5.583   5.036
  424    HG1  THR  56           1HG      THR  56   4.697  -6.862   6.258
  425   1HG2  THR  56          1HG2      THR  56   3.602  -5.008   3.468
  426   2HG2  THR  56          2HG2      THR  56   5.237  -4.511   3.045
  427   3HG2  THR  56          3HG2      THR  56   4.462  -3.856   4.488
  428    H    CYS  57           H        CYS  57   3.769  -6.771   1.710
  429    HA   CYS  57           HA       CYS  57   1.457  -8.090   2.900
  430   1HB   CYS  57          2HB       CYS  57   1.468  -6.147   0.578
  431   2HB   CYS  57          1HB       CYS  57   0.089  -6.722   1.515
  432    H    LEU  58           H        LEU  58   3.677  -8.513   0.437
  433    HA   LEU  58           HA       LEU  58   1.893 -10.323  -0.992
  434   1HB   LEU  58          2HB       LEU  58   3.075  -8.544  -2.252
  435   2HB   LEU  58          1HB       LEU  58   4.604  -9.228  -1.779
  436    HG   LEU  58           HG       LEU  58   3.894  -9.613  -4.164
  437   1HD1  LEU  58          1HD1      LEU  58   4.425 -12.085  -2.548
  438   2HD1  LEU  58          2HD1      LEU  58   5.626 -10.991  -3.238
  439   3HD1  LEU  58          3HD1      LEU  58   4.584 -11.940  -4.299
  440   1HD2  LEU  58          1HD2      LEU  58   1.533  -9.999  -3.796
  441   2HD2  LEU  58          2HD2      LEU  58   1.895 -11.480  -2.903
  442   3HD2  LEU  58          3HD2      LEU  58   2.264 -11.372  -4.627
  443    H    TYR  59           H        TYR  59   4.579 -10.364   1.200
  444    HA   TYR  59           HA       TYR  59   4.976 -13.162   0.593
  445   1HB   TYR  59          2HB       TYR  59   6.546 -11.312   2.394
  446   2HB   TYR  59          1HB       TYR  59   6.847 -13.038   2.271
  447    HD1  TYR  59           1HD      TYR  59   8.861 -10.872   1.761
  448    HD2  TYR  59           2HD      TYR  59   6.204 -12.891  -0.865
  449    HE1  TYR  59           1HE      TYR  59  10.398 -10.458  -0.106
  450    HE2  TYR  59           2HE      TYR  59   7.726 -12.481  -2.733
  451    HH   TYR  59           HH       TYR  59  10.866 -11.593  -2.340
  452    H    THR  60           H        THR  60   2.998 -14.074   1.475
  453    HA   THR  60           HA       THR  60   2.853 -14.555   4.107
  454    HB   THR  60           HB       THR  60   2.283 -12.174   4.471
  455    HG1  THR  60           1HG      THR  60  -0.275 -12.952   4.846
  456   1HG2  THR  60          1HG2      THR  60   0.263 -11.139   3.495
  457   2HG2  THR  60          2HG2      THR  60  -0.009 -12.591   2.533
  458   3HG2  THR  60          3HG2      THR  60   1.416 -11.599   2.239
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1  -3.880 -13.707   7.565
    2   2H    LYS   1          2HT       LYS   1  -3.061 -14.863   8.429
    3   3H    LYS   1          3HT       LYS   1  -4.772 -14.864   8.422
    4    HA   LYS   1           HA       LYS   1  -2.993 -15.085   6.071
    5   1HB   LYS   1          2HB       LYS   1  -3.529 -17.486   5.881
    6   2HB   LYS   1          1HB       LYS   1  -2.863 -17.190   7.482
    7   1HG   LYS   1          2HG       LYS   1  -5.061 -17.223   8.464
    8   2HG   LYS   1          1HG       LYS   1  -5.808 -17.354   6.875
    9   1HD   LYS   1          2HD       LYS   1  -4.658 -19.530   6.582
   10   2HD   LYS   1          1HD       LYS   1  -4.058 -19.392   8.239
   11   1HE   LYS   1          2HE       LYS   1  -6.335 -19.313   9.073
   12   2HE   LYS   1          1HE       LYS   1  -6.959 -19.389   7.428
   13   1HZ   LYS   1          1HZ       LYS   1  -5.398 -21.486   8.822
   14   2HZ   LYS   1          2HZ       LYS   1  -5.905 -21.584   7.219
   15   3HZ   LYS   1          3HZ       LYS   1  -7.051 -21.527   8.488
   16    H    ASP   2           H        ASP   2  -6.291 -14.923   7.233
   17    HA   ASP   2           HA       ASP   2  -7.300 -15.097   4.540
   18   1HB   ASP   2          2HB       ASP   2  -8.801 -15.844   6.335
   19   2HB   ASP   2          1HB       ASP   2  -8.628 -14.294   7.149
   20    H    ARG   3           H        ARG   3  -7.408 -12.259   6.867
   21    HA   ARG   3           HA       ARG   3  -6.616 -10.773   4.567
   22   1HB   ARG   3          2HB       ARG   3  -7.612  -8.881   5.812
   23   2HB   ARG   3          1HB       ARG   3  -8.804 -10.131   5.496
   24   1HG   ARG   3          2HG       ARG   3  -8.626 -10.909   7.791
   25   2HG   ARG   3          1HG       ARG   3  -7.375  -9.707   8.113
   26   1HD   ARG   3          2HD       ARG   3  -9.570  -8.992   8.932
   27   2HD   ARG   3          1HD       ARG   3  -8.944  -7.919   7.683
   28    HE   ARG   3           HE       ARG   3 -10.531  -9.823   6.425
   29   1HH1  ARG   3          1HH1      ARG   3 -11.012  -7.269   8.813
   30   2HH1  ARG   3          2HH1      ARG   3 -12.569  -6.847   8.264
   31   1HH2  ARG   3          1HH2      ARG   3 -12.592  -9.285   5.664
   32   2HH2  ARG   3          2HH2      ARG   3 -13.520  -8.035   6.376
   33    HA   PRO   4           HA       PRO   4  -2.716 -10.363   6.648
   34   1HB   PRO   4          2HB       PRO   4  -2.764  -7.714   5.341
   35   2HB   PRO   4          1HB       PRO   4  -1.537  -8.991   5.272
   36   1HG   PRO   4          2HG       PRO   4  -3.093  -8.620   3.189
   37   2HG   PRO   4          1HG       PRO   4  -2.787 -10.277   3.759
   38   1HD   PRO   4          2HD       PRO   4  -5.163  -8.522   4.246
   39   2HD   PRO   4          1HD       PRO   4  -5.111 -10.230   3.741
   40    H    SER   5           H        SER   5  -1.836  -9.376   8.358
   41    HA   SER   5           HA       SER   5  -3.134  -8.047  10.069
   42   1HB   SER   5          2HB       SER   5  -0.233  -7.450   9.558
   43   2HB   SER   5          1HB       SER   5  -1.061  -7.290  11.111
   44    HG   SER   5           HG       SER   5  -0.287  -9.251  11.242
   45    H    LEU   6           H        LEU   6  -0.898  -6.471   7.640
   46    HA   LEU   6           HA       LEU   6  -2.208  -3.906   8.077
   47   1HB   LEU   6          2HB       LEU   6  -0.070  -2.810   7.464
   48   2HB   LEU   6          1HB       LEU   6  -0.037  -3.725   8.946
   49    HG   LEU   6           HG       LEU   6   1.098  -5.584   7.594
   50   1HD1  LEU   6          1HD1      LEU   6   2.323  -4.895   5.607
   51   2HD1  LEU   6          2HD1      LEU   6   1.510  -3.330   5.654
   52   3HD1  LEU   6          3HD1      LEU   6   0.577  -4.796   5.368
   53   1HD2  LEU   6          1HD2      LEU   6   3.298  -4.536   7.817
   54   2HD2  LEU   6          2HD2      LEU   6   2.275  -4.218   9.220
   55   3HD2  LEU   6          3HD2      LEU   6   2.526  -2.961   8.006
   56    H    CYS   7           H        CYS   7  -1.901  -6.213   5.825
   57    HA   CYS   7           HA       CYS   7  -1.728  -4.376   3.736
   58   1HB   CYS   7          2HB       CYS   7  -2.373  -7.280   3.405
   59   2HB   CYS   7          1HB       CYS   7  -1.821  -6.198   2.126
   60    H    ASP   8           H        ASP   8  -4.177  -5.301   5.557
   61    HA   ASP   8           HA       ASP   8  -6.482  -5.167   3.759
   62   1HB   ASP   8          2HB       ASP   8  -6.390  -7.053   5.428
   63   2HB   ASP   8          1HB       ASP   8  -6.331  -5.870   6.727
   64    H    LEU   9           H        LEU   9  -4.943  -3.026   4.050
   65    HA   LEU   9           HA       LEU   9  -5.099  -1.351   6.284
   66   1HB   LEU   9          2HB       LEU   9  -3.670  -0.035   4.757
   67   2HB   LEU   9          1HB       LEU   9  -3.104  -1.666   5.027
   68    HG   LEU   9           HG       LEU   9  -4.486  -2.084   2.765
   69   1HD1  LEU   9          1HD1      LEU   9  -4.132  -0.324   1.153
   70   2HD1  LEU   9          2HD1      LEU   9  -3.531   0.724   2.435
   71   3HD1  LEU   9          3HD1      LEU   9  -5.204   0.180   2.464
   72   1HD2  LEU   9          1HD2      LEU   9  -2.185  -2.717   3.091
   73   2HD2  LEU   9          2HD2      LEU   9  -1.668  -1.046   2.870
   74   3HD2  LEU   9          3HD2      LEU   9  -2.386  -1.932   1.525
   75    HA   PRO  10           HA       PRO  10  -8.211   1.093   4.499
   76   1HB   PRO  10          2HB       PRO  10  -7.064   3.642   5.303
   77   2HB   PRO  10          1HB       PRO  10  -8.438   2.786   6.006
   78   1HG   PRO  10          2HG       PRO  10  -5.980   3.106   7.230
   79   2HG   PRO  10          1HG       PRO  10  -7.175   1.863   7.646
   80   1HD   PRO  10          2HD       PRO  10  -4.693   1.650   6.018
   81   2HD   PRO  10          1HD       PRO  10  -5.462   0.447   7.080
   82    H    ALA  11           H        ALA  11  -8.018   0.999   2.300
   83    HA   ALA  11           HA       ALA  11  -5.724   2.263   0.811
   84   1HB   ALA  11          1HB       ALA  11  -8.388   1.017  -0.099
   85   2HB   ALA  11          2HB       ALA  11  -6.823   0.216  -0.229
   86   3HB   ALA  11          3HB       ALA  11  -7.161   1.658  -1.194
   87    H    ASP  12           H        ASP  12  -5.736   4.048   1.678
   88    HA   ASP  12           HA       ASP  12  -7.945   5.886   1.083
   89   1HB   ASP  12          2HB       ASP  12  -8.004   5.360   3.526
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.975   3.655
   91    H    SER  13           H        SER  13  -7.665   7.830   0.357
   92    HA   SER  13           HA       SER  13  -5.002   8.262  -0.891
   93   1HB   SER  13          2HB       SER  13  -7.617   9.696  -1.333
   94   2HB   SER  13          1HB       SER  13  -6.164   9.751  -2.336
   95    HG   SER  13           HG       SER  13  -7.740   7.473  -1.817
   96    H    GLY  14           H        GLY  14  -6.728   9.540   1.759
   97   1HA   GLY  14          2HA       GLY  14  -5.701  10.934   3.302
   98   2HA   GLY  14          1HA       GLY  14  -4.471  11.311   2.110
   99    H    SER  15           H        SER  15  -5.293  13.382   3.476
  100    HA   SER  15           HA       SER  15  -7.553  14.654   2.048
  101   1HB   SER  15          2HB       SER  15  -6.670  15.032   4.897
  102   2HB   SER  15          1HB       SER  15  -8.097  15.721   4.114
  103    HG   SER  15           HG       SER  15  -7.621  12.935   4.334
  104    H    GLY  16           H        GLY  16  -4.482  14.683   1.649
  105   1HA   GLY  16          2HA       GLY  16  -3.616  17.096   2.945
  106   2HA   GLY  16          1HA       GLY  16  -2.644  15.988   2.014
  107    H    THR  17           H        THR  17  -2.105  18.325   1.741
  108    HA   THR  17           HA       THR  17  -3.322  19.677  -0.647
  109    HB   THR  17           HB       THR  17  -2.858  21.013   1.416
  110    HG1  THR  17           1HG      THR  17  -2.667  21.743  -0.858
  111   1HG2  THR  17          1HG2      THR  17  -0.868  19.844   2.224
  112   2HG2  THR  17          2HG2      THR  17  -0.516  21.556   1.986
  113   3HG2  THR  17          3HG2      THR  17   0.036  20.364   0.804
  114    H    LYS  18           H        LYS  18  -0.796  17.395  -0.157
  115    HA   LYS  18           HA       LYS  18   1.049  18.438  -2.259
  116   1HB   LYS  18          2HB       LYS  18   1.917  18.214   0.100
  117   2HB   LYS  18          1HB       LYS  18   1.251  16.600   0.153
  118   1HG   LYS  18          2HG       LYS  18   3.666  16.591  -0.163
  119   2HG   LYS  18          1HG       LYS  18   2.836  15.867  -1.534
  120   1HD   LYS  18          2HD       LYS  18   3.110  17.960  -2.786
  121   2HD   LYS  18          1HD       LYS  18   3.960  18.667  -1.407
  122   1HE   LYS  18          2HE       LYS  18   5.694  16.978  -1.574
  123   2HE   LYS  18          1HE       LYS  18   4.827  16.193  -2.892
  124   1HZ   LYS  18          1HZ       LYS  18   5.151  18.141  -4.237
  125   2HZ   LYS  18          2HZ       LYS  18   6.637  17.567  -3.682
  126   3HZ   LYS  18          3HZ       LYS  18   5.939  18.944  -2.966
  127    H    ALA  19           H        ALA  19   1.901  16.891  -3.536
  128    HA   ALA  19           HA       ALA  19   0.232  14.481  -3.968
  129   1HB   ALA  19          1HB       ALA  19   1.929  16.046  -5.936
  130   2HB   ALA  19          2HB       ALA  19   0.166  16.088  -5.877
  131   3HB   ALA  19          3HB       ALA  19   1.003  14.591  -6.295
  132    H    GLU  20           H        GLU  20   1.167  12.688  -3.431
  133    HA   GLU  20           HA       GLU  20   4.038  12.658  -3.372
  134   1HB   GLU  20          2HB       GLU  20   3.249  13.274  -1.179
  135   2HB   GLU  20          1HB       GLU  20   2.126  11.932  -1.157
  136   1HG   GLU  20          2HG       GLU  20   3.965  11.449   0.254
  137   2HG   GLU  20          1HG       GLU  20   4.023  10.389  -1.147
  138    H    LYS  21           H        LYS  21   4.713  10.661  -4.221
  139    HA   LYS  21           HA       LYS  21   2.634   8.711  -5.058
  140   1HB   LYS  21          2HB       LYS  21   4.121   9.903  -6.772
  141   2HB   LYS  21          1HB       LYS  21   5.492   9.162  -5.974
  142   1HG   LYS  21          2HG       LYS  21   3.264   7.528  -7.164
  143   2HG   LYS  21          1HG       LYS  21   4.616   8.101  -8.129
  144   1HD   LYS  21          2HD       LYS  21   4.859   6.366  -5.663
  145   2HD   LYS  21          1HD       LYS  21   4.893   5.767  -7.321
  146   1HE   LYS  21          2HE       LYS  21   6.861   7.137  -7.759
  147   2HE   LYS  21          1HE       LYS  21   6.825   7.722  -6.095
  148   1HZ   LYS  21          1HZ       LYS  21   7.164   4.881  -6.890
  149   2HZ   LYS  21          2HZ       LYS  21   7.263   5.487  -5.323
  150   3HZ   LYS  21          3HZ       LYS  21   8.416   5.938  -6.496
  151    H    ARG  22           H        ARG  22   2.190   7.323  -3.510
  152    HA   ARG  22           HA       ARG  22   4.567   6.226  -2.463
  153   1HB   ARG  22          2HB       ARG  22   1.880   6.660  -1.210
  154   2HB   ARG  22          1HB       ARG  22   3.156   5.725  -0.444
  155   1HG   ARG  22          2HG       ARG  22   3.475   8.586  -1.323
  156   2HG   ARG  22          1HG       ARG  22   3.010   8.095   0.309
  157   1HD   ARG  22          2HD       ARG  22   5.100   6.881   0.559
  158   2HD   ARG  22          1HD       ARG  22   5.547   7.275  -1.102
  159    HE   ARG  22           HE       ARG  22   5.860   9.514  -0.478
  160   1HH1  ARG  22          1HH1      ARG  22   5.121   7.512   2.395
  161   2HH1  ARG  22          2HH1      ARG  22   5.820   8.633   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.817  10.982   1.035
  163   2HH2  ARG  22          2HH2      ARG  22   6.842  10.625   2.684
  164    H    ILE  23           H        ILE  23   3.600   3.639  -1.442
  165    HA   ILE  23           HA       ILE  23   1.626   2.801  -3.398
  166    HB   ILE  23           HB       ILE  23   3.877   2.254  -4.404
  167   1HG1  ILE  23          2HG1      ILE  23   2.445  -0.264  -3.551
  168   2HG1  ILE  23          1HG1      ILE  23   1.887   0.801  -4.834
  169   1HG2  ILE  23          1HG2      ILE  23   5.256   0.499  -3.432
  170   2HG2  ILE  23          2HG2      ILE  23   4.189   0.410  -2.051
  171   3HG2  ILE  23          3HG2      ILE  23   5.151   1.886  -2.324
  172   1HD1  ILE  23          1HD1      ILE  23   3.922   0.373  -6.098
  173   2HD1  ILE  23          2HD1      ILE  23   3.087  -1.131  -5.720
  174   3HD1  ILE  23          3HD1      ILE  23   4.520  -0.657  -4.801
  175    H    TYR  24           H        TYR  24   0.351   1.028  -2.668
  176    HA   TYR  24           HA       TYR  24   1.098  -0.194  -0.186
  177   1HB   TYR  24          2HB       TYR  24  -1.166   0.098   0.848
  178   2HB   TYR  24          1HB       TYR  24  -0.239   1.571   0.745
  179    HD1  TYR  24           1HD      TYR  24  -2.008   0.424  -2.295
  180    HD2  TYR  24           2HD      TYR  24  -2.270   2.792   1.227
  181    HE1  TYR  24           1HE      TYR  24  -3.990   1.564  -3.208
  182    HE2  TYR  24           2HE      TYR  24  -4.234   3.935   0.324
  183    HH   TYR  24           HH       TYR  24  -5.235   4.412  -1.780
  184    H    TYR  25           H        TYR  25  -0.855  -2.004   0.345
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.546  -1.880
  186   1HB   TYR  25          2HB       TYR  25  -0.435  -4.341   0.367
  187   2HB   TYR  25          1HB       TYR  25  -2.080  -3.887   0.749
  188    HD1  TYR  25           1HD      TYR  25  -0.088  -6.180  -1.418
  189    HD2  TYR  25           2HD      TYR  25  -3.790  -5.465   0.547
  190    HE1  TYR  25           1HE      TYR  25  -0.784  -8.485  -1.894
  191    HE2  TYR  25           2HE      TYR  25  -4.502  -7.762   0.064
  192    HH   TYR  25           HH       TYR  25  -2.316 -10.144  -1.024
  193    H    ASN  26           H        ASN  26  -2.471  -3.997  -3.361
  194    HA   ASN  26           HA       ASN  26  -5.167  -2.968  -2.663
  195   1HB   ASN  26          2HB       ASN  26  -4.211  -2.274  -4.926
  196   2HB   ASN  26          1HB       ASN  26  -4.125  -3.991  -5.331
  197   1HD2  ASN  26          1HD2      ASN  26  -6.214  -1.276  -4.825
  198   2HD2  ASN  26          2HD2      ASN  26  -7.661  -2.030  -5.373
  199    H    SER  27           H        SER  27  -6.542  -4.187  -2.126
  200    HA   SER  27           HA       SER  27  -5.545  -6.633  -1.379
  201   1HB   SER  27          2HB       SER  27  -8.299  -5.553  -0.780
  202   2HB   SER  27          1HB       SER  27  -7.659  -7.027  -0.056
  203    HG   SER  27           HG       SER  27  -6.354  -5.922   1.143
  204    H    ALA  28           H        ALA  28  -8.012  -5.724  -3.687
  205    HA   ALA  28           HA       ALA  28  -9.093  -8.319  -4.087
  206   1HB   ALA  28          1HB       ALA  28 -10.386  -6.329  -4.516
  207   2HB   ALA  28          2HB       ALA  28 -10.227  -7.293  -5.986
  208   3HB   ALA  28          3HB       ALA  28  -9.251  -5.838  -5.775
  209    H    ARG  29           H        ARG  29  -6.779  -6.239  -5.607
  210    HA   ARG  29           HA       ARG  29  -6.187  -8.091  -7.825
  211   1HB   ARG  29          2HB       ARG  29  -4.589  -5.633  -7.068
  212   2HB   ARG  29          1HB       ARG  29  -4.465  -6.533  -8.565
  213   1HG   ARG  29          2HG       ARG  29  -6.845  -4.951  -7.664
  214   2HG   ARG  29          1HG       ARG  29  -5.630  -4.410  -8.811
  215   1HD   ARG  29          2HD       ARG  29  -6.242  -6.276 -10.284
  216   2HD   ARG  29          1HD       ARG  29  -7.490  -6.751  -9.129
  217    HE   ARG  29           HE       ARG  29  -8.010  -4.162  -9.577
  218   1HH1  ARG  29          1HH1      ARG  29  -7.764  -7.008 -11.681
  219   2HH1  ARG  29          2HH1      ARG  29  -8.737  -6.340 -12.913
  220   1HH2  ARG  29          1HH2      ARG  29  -9.384  -3.287 -11.255
  221   2HH2  ARG  29          2HH2      ARG  29  -9.685  -4.177 -12.673
  222    H    LYS  30           H        LYS  30  -5.285  -7.960  -4.710
  223    HA   LYS  30           HA       LYS  30  -3.603  -8.798  -3.369
  224   1HB   LYS  30          2HB       LYS  30  -4.664 -10.847  -4.311
  225   2HB   LYS  30          1HB       LYS  30  -3.511 -10.837  -5.631
  226   1HG   LYS  30          2HG       LYS  30  -1.710 -11.338  -4.092
  227   2HG   LYS  30          1HG       LYS  30  -2.818 -11.229  -2.723
  228   1HD   LYS  30          2HD       LYS  30  -4.080 -13.127  -3.554
  229   2HD   LYS  30          1HD       LYS  30  -3.064 -13.199  -4.994
  230   1HE   LYS  30          2HE       LYS  30  -2.044 -13.556  -2.176
  231   2HE   LYS  30          1HE       LYS  30  -2.485 -14.883  -3.251
  232   1HZ   LYS  30          1HZ       LYS  30  -0.096 -14.473  -3.314
  233   2HZ   LYS  30          2HZ       LYS  30  -0.353 -12.869  -3.830
  234   3HZ   LYS  30          3HZ       LYS  30  -0.808 -14.148  -4.796
  235    H    GLN  31           H        GLN  31  -2.903  -7.053  -4.995
  236    HA   GLN  31           HA       GLN  31   0.160  -7.025  -5.293
  237   1HB   GLN  31          2HB       GLN  31   0.233  -6.374  -7.553
  238   2HB   GLN  31          1HB       GLN  31  -0.701  -7.855  -7.458
  239   1HG   GLN  31          2HG       GLN  31  -2.744  -6.548  -7.643
  240   2HG   GLN  31          1HG       GLN  31  -1.779  -5.079  -7.789
  241   1HE2  GLN  31          1HE2      GLN  31  -2.544  -4.643  -9.819
  242   2HE2  GLN  31          2HE2      GLN  31  -2.077  -5.569 -11.199
  243    H    CYS  32           H        CYS  32   1.394  -5.145  -5.349
  244    HA   CYS  32           HA       CYS  32   0.094  -3.279  -3.749
  245   1HB   CYS  32          2HB       CYS  32   2.734  -3.300  -5.162
  246   2HB   CYS  32          1HB       CYS  32   2.237  -2.202  -3.893
  247    H    LEU  33           H        LEU  33  -0.290  -1.190  -4.309
  248    HA   LEU  33           HA       LEU  33  -0.274  -0.608  -7.091
  249   1HB   LEU  33          2HB       LEU  33  -2.459  -1.469  -6.765
  250   2HB   LEU  33          1HB       LEU  33  -2.631  -0.669  -5.223
  251    HG   LEU  33           HG       LEU  33  -2.668   1.456  -6.431
  252   1HD1  LEU  33          1HD1      LEU  33  -3.330   1.420  -8.828
  253   2HD1  LEU  33          2HD1      LEU  33  -3.045  -0.321  -8.846
  254   3HD1  LEU  33          3HD1      LEU  33  -1.708   0.786  -8.557
  255   1HD2  LEU  33          1HD2      LEU  33  -5.043   1.244  -7.092
  256   2HD2  LEU  33          2HD2      LEU  33  -4.676   0.509  -5.533
  257   3HD2  LEU  33          3HD2      LEU  33  -4.887  -0.508  -6.961
  258    H    ARG  34           H        ARG  34   0.253   1.458  -7.326
  259    HA   ARG  34           HA       ARG  34   0.953   3.157  -5.148
  260   1HB   ARG  34          2HB       ARG  34   2.261   2.808  -7.266
  261   2HB   ARG  34          1HB       ARG  34   0.959   3.553  -8.160
  262   1HG   ARG  34          2HG       ARG  34   2.541   4.989  -6.042
  263   2HG   ARG  34          1HG       ARG  34   3.011   4.958  -7.728
  264   1HD   ARG  34          2HD       ARG  34   0.428   6.026  -6.623
  265   2HD   ARG  34          1HD       ARG  34   1.811   6.990  -7.120
  266    HE   ARG  34           HE       ARG  34   1.286   5.572  -9.330
  267   1HH1  ARG  34          1HH1      ARG  34  -0.719   7.520  -7.225
  268   2HH1  ARG  34          2HH1      ARG  34  -1.813   8.015  -8.417
  269   1HH2  ARG  34          1HH2      ARG  34  -0.195   6.180 -11.009
  270   2HH2  ARG  34          2HH2      ARG  34  -1.458   7.291 -10.656
  271    H    PHE  35           H        PHE  35  -0.053   4.921  -4.654
  272    HA   PHE  35           HA       PHE  35  -2.538   5.221  -5.844
  273   1HB   PHE  35          2HB       PHE  35  -3.687   5.957  -3.615
  274   2HB   PHE  35          1HB       PHE  35  -3.135   4.305  -3.781
  275    HD1  PHE  35           1HD      PHE  35  -0.542   4.026  -2.879
  276    HD2  PHE  35           2HD      PHE  35  -3.361   6.948  -1.596
  277    HE1  PHE  35           1HE      PHE  35   0.636   4.217  -0.735
  278    HE2  PHE  35           2HE      PHE  35  -2.170   7.145   0.545
  279    HZ   PHE  35           HZ       PHE  35  -0.173   5.785   0.977
  280    H    ASP  36           H        ASP  36  -3.407   7.937  -5.098
  281    HA   ASP  36           HA       ASP  36  -0.997   9.401  -5.346
  282   1HB   ASP  36          2HB       ASP  36  -3.880  10.236  -5.859
  283   2HB   ASP  36          1HB       ASP  36  -2.540  11.352  -5.975
  284    H    TYR  37           H        TYR  37  -0.493   9.309  -3.140
  285    HA   TYR  37           HA       TYR  37  -2.389  10.040  -1.121
  286   1HB   TYR  37          2HB       TYR  37  -0.676   8.390  -0.647
  287   2HB   TYR  37          1HB       TYR  37   0.589   9.520  -1.091
  288    HD1  TYR  37           1HD      TYR  37  -2.378   9.729   1.213
  289    HD2  TYR  37           2HD      TYR  37   1.829  10.113   0.735
  290    HE1  TYR  37           1HE      TYR  37  -2.183  10.498   3.548
  291    HE2  TYR  37           2HE      TYR  37   2.036  10.874   3.044
  292    HH   TYR  37           HH       TYR  37   0.681  11.946   4.728
  293    H    THR  38           H        THR  38  -2.596  12.175  -0.184
  294    HA   THR  38           HA       THR  38  -1.197  14.037  -1.714
  295    HB   THR  38           HB       THR  38  -3.032  15.494  -0.540
  296    HG1  THR  38           1HG      THR  38  -4.542  13.195  -0.441
  297   1HG2  THR  38          1HG2      THR  38  -4.644  14.796  -2.263
  298   2HG2  THR  38          2HG2      THR  38  -3.718  13.316  -2.536
  299   3HG2  THR  38          3HG2      THR  38  -3.018  14.883  -2.938
  300    H    GLY  39           H        GLY  39   0.251  12.828   0.344
  301   1HA   GLY  39          2HA       GLY  39   1.715  13.230   2.021
  302   2HA   GLY  39          1HA       GLY  39   1.439  14.909   1.663
  303    H    GLN  40           H        GLN  40  -1.568  14.437   2.833
  304    HA   GLN  40           HA       GLN  40  -0.557  14.390   5.526
  305   1HB   GLN  40          2HB       GLN  40  -0.619  16.734   4.777
  306   2HB   GLN  40          1HB       GLN  40  -2.326  16.565   4.392
  307   1HG   GLN  40          2HG       GLN  40  -1.952  17.739   6.502
  308   2HG   GLN  40          1HG       GLN  40  -2.851  16.236   6.728
  309   1HE2  GLN  40          1HE2      GLN  40  -2.248  16.160   8.864
  310   2HE2  GLN  40          2HE2      GLN  40  -0.683  15.667   9.396
  311    H    GLY  41           H        GLY  41  -2.119  13.074   6.885
  312   1HA   GLY  41          2HA       GLY  41  -4.305  12.779   7.571
  313   2HA   GLY  41          1HA       GLY  41  -4.848  13.646   6.144
  314    H    GLY  42           H        GLY  42  -2.861  10.713   6.387
  315   1HA   GLY  42          2HA       GLY  42  -4.856   9.456   4.655
  316   2HA   GLY  42          1HA       GLY  42  -3.120   9.214   4.513
  317    H    ASN  43           H        ASN  43  -3.160   7.000   4.791
  318    HA   ASN  43           HA       ASN  43  -4.339   5.760   7.186
  319   1HB   ASN  43          2HB       ASN  43  -4.210   3.850   5.802
  320   2HB   ASN  43          1HB       ASN  43  -5.033   5.065   4.834
  321   1HD2  ASN  43          1HD2      ASN  43  -3.684   2.744   3.878
  322   2HD2  ASN  43          2HD2      ASN  43  -2.335   3.282   2.927
  323    H    GLU  44           H        GLU  44  -3.188   4.176   8.014
  324    HA   GLU  44           HA       GLU  44  -0.470   4.902   8.872
  325   1HB   GLU  44          2HB       GLU  44  -0.772   3.024  10.300
  326   2HB   GLU  44          1HB       GLU  44  -2.183   4.062  10.409
  327   1HG   GLU  44          2HG       GLU  44  -3.425   2.542   8.956
  328   2HG   GLU  44          1HG       GLU  44  -2.000   1.513   8.815
  329    H    ASN  45           H        ASN  45  -1.773   2.915   6.475
  330    HA   ASN  45           HA       ASN  45   0.732   1.485   6.356
  331   1HB   ASN  45          2HB       ASN  45  -1.359   0.274   5.881
  332   2HB   ASN  45          1HB       ASN  45  -1.628   1.308   4.481
  333   1HD2  ASN  45          1HD2      ASN  45   0.212  -1.303   5.796
  334   2HD2  ASN  45          2HD2      ASN  45   0.971  -1.754   4.315
  335    H    ASN  46           H        ASN  46   2.246   3.832   5.393
  336    HA   ASN  46           HA       ASN  46   1.608   3.669   2.760
  337   1HB   ASN  46          2HB       ASN  46   1.508   5.696   4.170
  338   2HB   ASN  46          1HB       ASN  46   3.202   5.472   4.573
  339   1HD2  ASN  46          1HD2      ASN  46   0.957   6.625   2.379
  340   2HD2  ASN  46          2HD2      ASN  46   2.035   7.244   1.187
  341    H    PHE  47           H        PHE  47   3.123   2.937   1.277
  342    HA   PHE  47           HA       PHE  47   5.692   2.358   2.412
  343   1HB   PHE  47          2HB       PHE  47   4.443   1.144  -0.050
  344   2HB   PHE  47          1HB       PHE  47   6.062   0.772   0.534
  345    HD1  PHE  47           1HD      PHE  47   2.725  -0.199   0.603
  346    HD2  PHE  47           2HD      PHE  47   6.164   0.097   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.763  -1.855   2.136
  348    HE2  PHE  47           2HE      PHE  47   5.210  -1.561   4.609
  349    HZ   PHE  47           HZ       PHE  47   3.003  -2.534   4.137
  350    H    ARG  48           H        ARG  48   7.441   3.285   1.479
  351    HA   ARG  48           HA       ARG  48   7.138   5.293  -0.715
  352   1HB   ARG  48          2HB       ARG  48   7.999   6.043   1.517
  353   2HB   ARG  48          1HB       ARG  48   9.341   4.935   1.311
  354   1HG   ARG  48          2HG       ARG  48   9.946   7.252   0.753
  355   2HG   ARG  48          1HG       ARG  48  10.115   6.176  -0.627
  356   1HD   ARG  48          2HD       ARG  48   8.023   7.034  -1.601
  357   2HD   ARG  48          1HD       ARG  48   7.699   7.991  -0.178
  358    HE   ARG  48           HE       ARG  48  10.145   8.811  -1.035
  359   1HH1  ARG  48          1HH1      ARG  48   6.975   8.567  -2.689
  360   2HH1  ARG  48          2HH1      ARG  48   7.181  10.055  -3.460
  361   1HH2  ARG  48          1HH2      ARG  48  10.367  10.759  -2.134
  362   2HH2  ARG  48          2HH2      ARG  48   9.115  11.354  -3.161
  363    H    ARG  49           H        ARG  49   8.298   2.042  -0.085
  364    HA   ARG  49           HA       ARG  49   9.896   2.289  -2.414
  365   1HB   ARG  49          2HB       ARG  49  11.383   2.289  -0.551
  366   2HB   ARG  49          1HB       ARG  49  10.492   1.005   0.246
  367   1HG   ARG  49          2HG       ARG  49  11.268  -0.546  -1.542
  368   2HG   ARG  49          1HG       ARG  49  12.269   0.768  -2.175
  369   1HD   ARG  49          2HD       ARG  49  13.516   0.893  -0.137
  370   2HD   ARG  49          1HD       ARG  49  12.419  -0.234   0.662
  371    HE   ARG  49           HE       ARG  49  13.766  -1.288  -1.670
  372   1HH1  ARG  49          1HH1      ARG  49  13.916  -0.895   1.872
  373   2HH1  ARG  49          2HH1      ARG  49  15.001  -2.176   2.096
  374   1HH2  ARG  49          1HH2      ARG  49  15.224  -3.143  -1.306
  375   2HH2  ARG  49          2HH2      ARG  49  15.716  -3.511   0.265
  376    H    THR  50           H        THR  50   9.565   0.541  -3.765
  377    HA   THR  50           HA       THR  50   7.217  -0.909  -3.768
  378    HB   THR  50           HB       THR  50   9.735  -1.457  -5.354
  379    HG1  THR  50           1HG      THR  50   7.644   0.215  -6.251
  380   1HG2  THR  50          1HG2      THR  50   8.166  -2.184  -7.099
  381   2HG2  THR  50          2HG2      THR  50   6.808  -1.865  -6.017
  382   3HG2  THR  50          3HG2      THR  50   7.957  -3.147  -5.636
  383    H    TYR  51           H        TYR  51  10.511  -2.035  -2.909
  384    HA   TYR  51           HA       TYR  51   9.766  -4.756  -2.588
  385   1HB   TYR  51          2HB       TYR  51  12.119  -4.017  -2.868
  386   2HB   TYR  51          1HB       TYR  51  12.068  -3.280  -1.275
  387    HD1  TYR  51           1HD      TYR  51  12.892  -4.495   0.506
  388    HD2  TYR  51           2HD      TYR  51  11.530  -6.563  -2.950
  389    HE1  TYR  51           1HE      TYR  51  13.684  -6.614   1.462
  390    HE2  TYR  51           2HE      TYR  51  12.315  -8.679  -2.003
  391    HH   TYR  51           HH       TYR  51  13.965  -9.408  -0.429
  392    H    ASP  52           H        ASP  52   9.806  -1.986  -0.469
  393    HA   ASP  52           HA       ASP  52   9.327  -3.395   1.961
  394   1HB   ASP  52          2HB       ASP  52   8.470  -0.605   1.175
  395   2HB   ASP  52          1HB       ASP  52   8.002  -1.310   2.710
  396    H    CYS  53           H        CYS  53   6.997  -2.231  -0.414
  397    HA   CYS  53           HA       CYS  53   4.743  -3.181   0.995
  398   1HB   CYS  53          2HB       CYS  53   3.441  -2.722  -0.850
  399   2HB   CYS  53          1HB       CYS  53   4.820  -1.676  -1.117
  400    H    GLN  54           H        GLN  54   6.420  -4.506  -1.428
  401    HA   GLN  54           HA       GLN  54   5.360  -7.148  -1.810
  402   1HB   GLN  54          2HB       GLN  54   6.843  -6.384  -3.465
  403   2HB   GLN  54          1HB       GLN  54   8.242  -6.490  -2.368
  404   1HG   GLN  54          2HG       GLN  54   7.731  -8.975  -2.285
  405   2HG   GLN  54          1HG       GLN  54   6.601  -8.695  -3.604
  406   1HE2  GLN  54          1HE2      GLN  54   7.760  -9.952  -5.066
  407   2HE2  GLN  54          2HE2      GLN  54   9.276  -9.424  -5.697
  408    H    ARG  55           H        ARG  55   8.074  -6.355   0.121
  409    HA   ARG  55           HA       ARG  55   8.501  -8.980   1.266
  410   1HB   ARG  55          2HB       ARG  55  10.292  -7.299   1.288
  411   2HB   ARG  55          1HB       ARG  55   9.278  -6.203   2.205
  412   1HG   ARG  55          2HG       ARG  55   9.354  -7.734   4.099
  413   2HG   ARG  55          1HG       ARG  55  10.383  -8.824   3.162
  414   1HD   ARG  55          2HD       ARG  55  12.186  -7.404   3.233
  415   2HD   ARG  55          1HD       ARG  55  11.188  -5.975   3.444
  416    HE   ARG  55           HE       ARG  55  10.667  -7.108   5.703
  417   1HH1  ARG  55          1HH1      ARG  55  13.884  -7.311   4.211
  418   2HH1  ARG  55          2HH1      ARG  55  14.730  -6.979   5.652
  419   1HH2  ARG  55          1HH2      ARG  55  11.857  -6.744   7.710
  420   2HH2  ARG  55          2HH2      ARG  55  13.564  -6.635   7.677
  421    H    THR  56           H        THR  56   6.590  -6.073   2.537
  422    HA   THR  56           HA       THR  56   5.981  -7.851   4.538
  423    HB   THR  56           HB       THR  56   6.074  -5.492   5.060
  424    HG1  THR  56           1HG      THR  56   3.822  -7.029   5.582
  425   1HG2  THR  56          1HG2      THR  56   4.300  -3.971   4.378
  426   2HG2  THR  56          2HG2      THR  56   3.545  -5.260   3.442
  427   3HG2  THR  56          3HG2      THR  56   5.125  -4.634   2.970
  428    H    CYS  57           H        CYS  57   4.148  -7.041   1.557
  429    HA   CYS  57           HA       CYS  57   1.835  -8.532   2.581
  430   1HB   CYS  57          2HB       CYS  57   2.040  -6.605   0.294
  431   2HB   CYS  57          1HB       CYS  57   0.586  -7.499   0.728
  432    H    LEU  58           H        LEU  58   4.321  -9.020   0.357
  433    HA   LEU  58           HA       LEU  58   2.644 -10.914  -1.044
  434   1HB   LEU  58          2HB       LEU  58   3.833  -9.242  -2.384
  435   2HB   LEU  58          1HB       LEU  58   5.360  -9.818  -1.782
  436    HG   LEU  58           HG       LEU  58   4.799 -10.421  -4.161
  437   1HD1  LEU  58          1HD1      LEU  58   5.335 -12.742  -2.333
  438   2HD1  LEU  58          2HD1      LEU  58   6.529 -11.640  -3.006
  439   3HD1  LEU  58          3HD1      LEU  58   5.614 -12.710  -4.075
  440   1HD2  LEU  58          1HD2      LEU  58   2.434 -10.890  -3.879
  441   2HD2  LEU  58          2HD2      LEU  58   2.816 -12.281  -2.862
  442   3HD2  LEU  58          3HD2      LEU  58   3.270 -12.280  -4.567
  443    H    TYR  59           H        TYR  59   5.298 -10.756   1.195
  444    HA   TYR  59           HA       TYR  59   5.801 -13.531   0.666
  445   1HB   TYR  59          2HB       TYR  59   7.434 -11.573   2.291
  446   2HB   TYR  59          1HB       TYR  59   7.764 -13.308   2.241
  447    HD1  TYR  59           1HD      TYR  59   8.345 -10.174   0.606
  448    HD2  TYR  59           2HD      TYR  59   8.121 -14.366  -0.056
  449    HE1  TYR  59           1HE      TYR  59   9.584  -9.906  -1.506
  450    HE2  TYR  59           2HE      TYR  59   9.366 -14.112  -2.158
  451    HH   TYR  59           HH       TYR  59  10.992 -11.281  -3.041
  452    H    THR  60           H        THR  60   3.933 -14.079   1.258
  453    HA   THR  60           HA       THR  60   3.867 -15.253   3.831
  454    HB   THR  60           HB       THR  60   2.746 -13.205   4.487
  455    HG1  THR  60           1HG      THR  60   1.597 -14.540   5.565
  456   1HG2  THR  60          1HG2      THR  60   0.696 -12.343   3.398
  457   2HG2  THR  60          2HG2      THR  60   0.828 -13.596   2.168
  458   3HG2  THR  60          3HG2      THR  60   2.067 -12.344   2.284
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1  -4.249 -16.747   3.787
    2   2H    LYS   1          2HT       LYS   1  -4.482 -15.161   3.211
    3   3H    LYS   1          3HT       LYS   1  -5.399 -16.423   2.597
    4    HA   LYS   1           HA       LYS   1  -6.667 -15.052   4.157
    5   1HB   LYS   1          2HB       LYS   1  -7.561 -16.880   5.483
    6   2HB   LYS   1          1HB       LYS   1  -7.314 -17.360   3.818
    7   1HG   LYS   1          2HG       LYS   1  -5.348 -18.607   4.424
    8   2HG   LYS   1          1HG       LYS   1  -5.461 -18.031   6.089
    9   1HD   LYS   1          2HD       LYS   1  -7.617 -19.172   6.324
   10   2HD   LYS   1          1HD       LYS   1  -7.486 -19.742   4.659
   11   1HE   LYS   1          2HE       LYS   1  -5.511 -21.015   5.203
   12   2HE   LYS   1          1HE       LYS   1  -5.499 -20.365   6.842
   13   1HZ   LYS   1          1HZ       LYS   1  -7.571 -21.489   7.283
   14   2HZ   LYS   1          2HZ       LYS   1  -6.432 -22.608   6.709
   15   3HZ   LYS   1          3HZ       LYS   1  -7.649 -22.058   5.689
   16    H    ASP   2           H        ASP   2  -3.509 -15.973   5.271
   17    HA   ASP   2           HA       ASP   2  -4.022 -15.284   8.047
   18   1HB   ASP   2          2HB       ASP   2  -2.287 -17.002   7.323
   19   2HB   ASP   2          1HB       ASP   2  -1.383 -15.684   6.598
   20    H    ARG   3           H        ARG   3  -1.876 -13.968   5.710
   21    HA   ARG   3           HA       ARG   3  -1.119 -11.763   5.206
   22   1HB   ARG   3          2HB       ARG   3  -3.718 -10.906   6.431
   23   2HB   ARG   3          1HB       ARG   3  -2.690  -9.964   5.387
   24   1HG   ARG   3          2HG       ARG   3  -3.270 -11.414   3.524
   25   2HG   ARG   3          1HG       ARG   3  -4.290 -12.389   4.607
   26   1HD   ARG   3          2HD       ARG   3  -5.465 -10.279   5.246
   27   2HD   ARG   3          1HD       ARG   3  -4.581  -9.465   3.969
   28    HE   ARG   3           HE       ARG   3  -5.742 -11.262   2.529
   29   1HH1  ARG   3          1HH1      ARG   3  -7.094  -9.644   5.382
   30   2HH1  ARG   3          2HH1      ARG   3  -8.700  -9.614   4.819
   31   1HH2  ARG   3          1HH2      ARG   3  -7.972 -11.195   1.704
   32   2HH2  ARG   3          2HH2      ARG   3  -9.204 -10.496   2.627
   33    HA   PRO   4           HA       PRO   4  -0.237  -9.478   9.010
   34   1HB   PRO   4          2HB       PRO   4   0.786  -7.404   7.119
   35   2HB   PRO   4          1HB       PRO   4   1.668  -8.206   8.428
   36   1HG   PRO   4          2HG       PRO   4   2.210  -8.742   5.870
   37   2HG   PRO   4          1HG       PRO   4   2.236 -10.018   7.107
   38   1HD   PRO   4          2HD       PRO   4   0.061  -9.333   5.155
   39   2HD   PRO   4          1HD       PRO   4   0.750 -10.931   5.540
   40    H    SER   5           H        SER   5  -2.044  -8.141   9.684
   41    HA   SER   5           HA       SER   5  -4.174  -7.747   8.093
   42   1HB   SER   5          2HB       SER   5  -5.052  -6.303   9.913
   43   2HB   SER   5          1HB       SER   5  -4.392  -7.858  10.422
   44    HG   SER   5           HG       SER   5  -3.783  -5.565  11.360
   45    H    LEU   6           H        LEU   6  -1.406  -5.664   7.989
   46    HA   LEU   6           HA       LEU   6  -2.937  -3.321   7.329
   47   1HB   LEU   6          2HB       LEU   6  -0.925  -2.086   7.329
   48   2HB   LEU   6          1HB       LEU   6  -0.888  -3.116   8.730
   49    HG   LEU   6           HG       LEU   6   0.674  -3.635   6.186
   50   1HD1  LEU   6          1HD1      LEU   6   1.404  -1.580   7.275
   51   2HD1  LEU   6          2HD1      LEU   6   2.615  -2.855   7.427
   52   3HD1  LEU   6          3HD1      LEU   6   1.589  -2.449   8.800
   53   1HD2  LEU   6          1HD2      LEU   6   0.308  -5.666   7.445
   54   2HD2  LEU   6          2HD2      LEU   6   0.844  -4.877   8.932
   55   3HD2  LEU   6          3HD2      LEU   6   1.982  -5.155   7.617
   56    H    CYS   7           H        CYS   7  -2.934  -5.737   5.612
   57    HA   CYS   7           HA       CYS   7  -2.130  -4.450   3.099
   58   1HB   CYS   7          2HB       CYS   7  -2.890  -7.318   3.694
   59   2HB   CYS   7          1HB       CYS   7  -2.330  -6.703   2.143
   60    H    ASP   8           H        ASP   8  -4.608  -5.254   5.113
   61    HA   ASP   8           HA       ASP   8  -6.798  -5.085   3.188
   62   1HB   ASP   8          2HB       ASP   8  -6.737  -7.020   4.798
   63   2HB   ASP   8          1HB       ASP   8  -6.730  -5.886   6.134
   64    H    LEU   9           H        LEU   9  -5.183  -2.833   3.754
   65    HA   LEU   9           HA       LEU   9  -5.854  -1.522   6.198
   66   1HB   LEU   9          2HB       LEU   9  -3.942  -0.147   5.700
   67   2HB   LEU   9          1HB       LEU   9  -3.499  -1.815   5.496
   68    HG   LEU   9           HG       LEU   9  -2.336  -0.673   3.851
   69   1HD1  LEU   9          1HD1      LEU   9  -3.122  -1.292   1.661
   70   2HD1  LEU   9          2HD1      LEU   9  -4.678  -1.738   2.369
   71   3HD1  LEU   9          3HD1      LEU   9  -3.215  -2.596   2.844
   72   1HD2  LEU   9          1HD2      LEU   9  -3.339   1.484   3.939
   73   2HD2  LEU   9          2HD2      LEU   9  -4.789   0.901   3.136
   74   3HD2  LEU   9          3HD2      LEU   9  -3.260   0.966   2.256
   75    HA   PRO  10           HA       PRO  10  -8.411   1.252   4.301
   76   1HB   PRO  10          2HB       PRO  10  -7.680   3.755   5.240
   77   2HB   PRO  10          1HB       PRO  10  -8.659   2.584   6.130
   78   1HG   PRO  10          2HG       PRO  10  -5.745   3.167   6.339
   79   2HG   PRO  10          1HG       PRO  10  -6.904   2.745   7.615
   80   1HD   PRO  10          2HD       PRO  10  -5.123   0.984   6.544
   81   2HD   PRO  10          1HD       PRO  10  -6.687   0.505   7.237
   82    H    ALA  11           H        ALA  11  -8.102   1.321   2.121
   83    HA   ALA  11           HA       ALA  11  -5.747   2.630   0.786
   84   1HB   ALA  11          1HB       ALA  11  -8.480   1.623  -0.207
   85   2HB   ALA  11          2HB       ALA  11  -6.966   0.748  -0.448
   86   3HB   ALA  11          3HB       ALA  11  -7.221   2.302  -1.241
   87    H    ASP  12           H        ASP  12  -5.582   4.296   1.630
   88    HA   ASP  12           HA       ASP  12  -7.679   6.282   1.229
   89   1HB   ASP  12          2HB       ASP  12  -7.790   5.511   3.591
   90   2HB   ASP  12          1HB       ASP  12  -6.146   6.102   3.811
   91    H    SER  13           H        SER  13  -7.295   8.175   0.502
   92    HA   SER  13           HA       SER  13  -4.523   8.556  -0.500
   93   1HB   SER  13          2HB       SER  13  -7.055   9.940  -1.364
   94   2HB   SER  13          1HB       SER  13  -5.499   9.902  -2.197
   95    HG   SER  13           HG       SER  13  -7.520   8.048  -2.029
   96    H    GLY  14           H        GLY  14  -6.594   9.729   1.871
   97   1HA   GLY  14          2HA       GLY  14  -6.435  11.586   3.244
   98   2HA   GLY  14          1HA       GLY  14  -4.835  11.885   2.559
   99    H    SER  15           H        SER  15  -7.008  14.152   2.967
  100    HA   SER  15           HA       SER  15  -7.017  14.646   0.241
  101   1HB   SER  15          2HB       SER  15  -9.332  14.314   1.202
  102   2HB   SER  15          1HB       SER  15  -8.986  15.576   2.380
  103    HG   SER  15           HG       SER  15  -8.751  16.998   0.614
  104    H    GLY  16           H        GLY  16  -4.685  15.091   1.439
  105   1HA   GLY  16          2HA       GLY  16  -4.489  17.610   2.645
  106   2HA   GLY  16          1HA       GLY  16  -3.200  16.554   2.112
  107    H    THR  17           H        THR  17  -2.466  18.848   1.729
  108    HA   THR  17           HA       THR  17  -3.492  20.030  -0.761
  109    HB   THR  17           HB       THR  17  -1.504  21.177   1.194
  110    HG1  THR  17           1HG      THR  17  -3.898  22.250   1.559
  111   1HG2  THR  17          1HG2      THR  17  -3.457  22.425  -0.757
  112   2HG2  THR  17          2HG2      THR  17  -1.716  22.292  -0.998
  113   3HG2  THR  17          3HG2      THR  17  -2.357  23.307   0.299
  114    H    LYS  18           H        LYS  18  -0.922  17.861   0.016
  115    HA   LYS  18           HA       LYS  18   1.041  18.913  -1.924
  116   1HB   LYS  18          2HB       LYS  18   1.632  18.746   0.571
  117   2HB   LYS  18          1HB       LYS  18   1.160  17.067   0.488
  118   1HG   LYS  18          2HG       LYS  18   3.487  17.084   0.394
  119   2HG   LYS  18          1HG       LYS  18   2.961  16.797  -1.261
  120   1HD   LYS  18          2HD       LYS  18   3.365  19.119  -1.820
  121   2HD   LYS  18          1HD       LYS  18   3.800  19.466  -0.141
  122   1HE   LYS  18          2HE       LYS  18   5.243  17.597  -2.018
  123   2HE   LYS  18          1HE       LYS  18   5.805  19.182  -1.484
  124   1HZ   LYS  18          1HZ       LYS  18   5.335  16.846   0.299
  125   2HZ   LYS  18          2HZ       LYS  18   5.943  18.353   0.773
  126   3HZ   LYS  18          3HZ       LYS  18   6.848  17.341  -0.229
  127    H    ALA  19           H        ALA  19   1.998  17.139  -3.163
  128    HA   ALA  19           HA       ALA  19   0.273  14.714  -3.321
  129   1HB   ALA  19          1HB       ALA  19   1.878  16.012  -5.545
  130   2HB   ALA  19          2HB       ALA  19   0.121  16.109  -5.383
  131   3HB   ALA  19          3HB       ALA  19   0.893  14.556  -5.687
  132    H    GLU  20           H        GLU  20   1.227  12.767  -3.078
  133    HA   GLU  20           HA       GLU  20   4.156  12.678  -3.079
  134   1HB   GLU  20          2HB       GLU  20   3.358  13.327  -0.828
  135   2HB   GLU  20          1HB       GLU  20   2.446  11.830  -0.745
  136   1HG   GLU  20          2HG       GLU  20   4.513  11.667   0.457
  137   2HG   GLU  20          1HG       GLU  20   4.503  10.568  -0.932
  138    H    LYS  21           H        LYS  21   4.866  10.650  -3.743
  139    HA   LYS  21           HA       LYS  21   2.880   8.732  -4.848
  140   1HB   LYS  21          2HB       LYS  21   4.785   9.795  -6.207
  141   2HB   LYS  21          1HB       LYS  21   5.888   8.980  -5.127
  142   1HG   LYS  21          2HG       LYS  21   3.884   7.528  -6.847
  143   2HG   LYS  21          1HG       LYS  21   5.491   7.944  -7.396
  144   1HD   LYS  21          2HD       LYS  21   4.914   6.180  -5.006
  145   2HD   LYS  21          1HD       LYS  21   5.187   5.570  -6.629
  146   1HE   LYS  21          2HE       LYS  21   7.260   5.319  -5.612
  147   2HE   LYS  21          1HE       LYS  21   7.438   6.828  -6.491
  148   1HZ   LYS  21          1HZ       LYS  21   8.346   6.946  -4.213
  149   2HZ   LYS  21          2HZ       LYS  21   6.833   6.588  -3.591
  150   3HZ   LYS  21          3HZ       LYS  21   7.090   8.043  -4.391
  151    H    ARG  22           H        ARG  22   2.142   7.288  -3.236
  152    HA   ARG  22           HA       ARG  22   4.370   6.062  -1.932
  153   1HB   ARG  22          2HB       ARG  22   1.484   6.267  -1.110
  154   2HB   ARG  22          1HB       ARG  22   2.763   5.495  -0.202
  155   1HG   ARG  22          2HG       ARG  22   2.684   8.417  -0.895
  156   2HG   ARG  22          1HG       ARG  22   2.120   7.731   0.626
  157   1HD   ARG  22          2HD       ARG  22   4.393   6.891   1.048
  158   2HD   ARG  22          1HD       ARG  22   4.935   7.646  -0.454
  159    HE   ARG  22           HE       ARG  22   3.850   9.710   0.736
  160   1HH1  ARG  22          1HH1      ARG  22   5.961   7.299   2.177
  161   2HH1  ARG  22          2HH1      ARG  22   6.708   8.382   3.272
  162   1HH2  ARG  22          1HH2      ARG  22   4.845  11.215   2.281
  163   2HH2  ARG  22          2HH2      ARG  22   6.051  10.630   3.314
  164    H    ILE  23           H        ILE  23   3.432   3.492  -1.290
  165    HA   ILE  23           HA       ILE  23   1.594   2.710  -3.422
  166    HB   ILE  23           HB       ILE  23   3.949   2.210  -4.247
  167   1HG1  ILE  23          2HG1      ILE  23   2.438  -0.330  -3.630
  168   2HG1  ILE  23          1HG1      ILE  23   2.025   0.783  -4.931
  169   1HG2  ILE  23          1HG2      ILE  23   5.026   1.733  -2.068
  170   2HG2  ILE  23          2HG2      ILE  23   5.219   0.398  -3.229
  171   3HG2  ILE  23          3HG2      ILE  23   4.032   0.265  -1.953
  172   1HD1  ILE  23          1HD1      ILE  23   4.188   0.380  -5.974
  173   2HD1  ILE  23          2HD1      ILE  23   3.297  -1.131  -5.744
  174   3HD1  ILE  23          3HD1      ILE  23   4.627  -0.711  -4.662
  175    H    TYR  24           H        TYR  24   0.268   0.925  -2.862
  176    HA   TYR  24           HA       TYR  24   0.832  -0.363  -0.373
  177   1HB   TYR  24          2HB       TYR  24  -1.526  -0.109   0.499
  178   2HB   TYR  24          1HB       TYR  24  -0.551   1.345   0.544
  179    HD1  TYR  24           1HD      TYR  24  -2.037   0.430  -2.684
  180    HD2  TYR  24           2HD      TYR  24  -2.644   2.550   0.943
  181    HE1  TYR  24           1HE      TYR  24  -3.890   1.659  -3.720
  182    HE2  TYR  24           2HE      TYR  24  -4.489   3.783  -0.082
  183    HH   TYR  24           HH       TYR  24  -5.818   2.906  -3.142
  184    H    TYR  25           H        TYR  25  -1.127  -2.203   0.012
  185    HA   TYR  25           HA       TYR  25  -0.863  -3.716  -2.230
  186   1HB   TYR  25          2HB       TYR  25  -0.550  -4.518  -0.048
  187   2HB   TYR  25          1HB       TYR  25  -2.157  -4.035   0.439
  188    HD1  TYR  25           1HD      TYR  25  -3.907  -5.561   0.329
  189    HD2  TYR  25           2HD      TYR  25  -0.322  -6.436  -1.767
  190    HE1  TYR  25           1HE      TYR  25  -4.691  -7.842  -0.023
  191    HE2  TYR  25           2HE      TYR  25  -1.110  -8.747  -2.136
  192    HH   TYR  25           HH       TYR  25  -2.710 -10.348  -0.968
  193    H    ASN  26           H        ASN  26  -2.689  -4.202  -3.711
  194    HA   ASN  26           HA       ASN  26  -5.419  -3.320  -2.928
  195   1HB   ASN  26          2HB       ASN  26  -4.663  -2.627  -5.245
  196   2HB   ASN  26          1HB       ASN  26  -4.463  -4.343  -5.625
  197   1HD2  ASN  26          1HD2      ASN  26  -6.729  -1.782  -4.973
  198   2HD2  ASN  26          2HD2      ASN  26  -8.136  -2.632  -5.483
  199    H    SER  27           H        SER  27  -6.678  -4.512  -2.272
  200    HA   SER  27           HA       SER  27  -5.787  -6.993  -1.618
  201   1HB   SER  27          2HB       SER  27  -8.528  -5.867  -1.105
  202   2HB   SER  27          1HB       SER  27  -7.989  -7.403  -0.428
  203    HG   SER  27           HG       SER  27  -6.761  -4.860  -0.041
  204    H    ALA  28           H        ALA  28  -8.164  -6.033  -3.998
  205    HA   ALA  28           HA       ALA  28  -9.248  -8.611  -4.469
  206   1HB   ALA  28          1HB       ALA  28  -9.321  -6.120  -6.162
  207   2HB   ALA  28          2HB       ALA  28 -10.507  -6.599  -4.950
  208   3HB   ALA  28          3HB       ALA  28 -10.301  -7.564  -6.417
  209    H    ARG  29           H        ARG  29  -6.872  -6.584  -5.939
  210    HA   ARG  29           HA       ARG  29  -6.258  -8.427  -8.121
  211   1HB   ARG  29          2HB       ARG  29  -4.943  -5.809  -7.408
  212   2HB   ARG  29          1HB       ARG  29  -4.258  -6.879  -8.612
  213   1HG   ARG  29          2HG       ARG  29  -5.492  -5.136  -9.706
  214   2HG   ARG  29          1HG       ARG  29  -6.338  -6.663  -9.937
  215   1HD   ARG  29          2HD       ARG  29  -7.961  -6.079  -8.303
  216   2HD   ARG  29          1HD       ARG  29  -7.026  -4.675  -7.797
  217    HE   ARG  29           HE       ARG  29  -7.648  -4.438 -10.516
  218   1HH1  ARG  29          1HH1      ARG  29  -9.105  -4.265  -7.336
  219   2HH1  ARG  29          2HH1      ARG  29 -10.401  -3.249  -7.753
  220   1HH2  ARG  29          1HH2      ARG  29  -9.450  -3.022 -11.205
  221   2HH2  ARG  29          2HH2      ARG  29 -10.580  -2.514 -10.035
  222    H    LYS  30           H        LYS  30  -5.368  -8.228  -5.010
  223    HA   LYS  30           HA       LYS  30  -3.649  -8.882  -3.613
  224   1HB   LYS  30          2HB       LYS  30  -4.448 -11.095  -4.501
  225   2HB   LYS  30          1HB       LYS  30  -3.241 -10.999  -5.774
  226   1HG   LYS  30          2HG       LYS  30  -1.513 -10.902  -3.890
  227   2HG   LYS  30          1HG       LYS  30  -2.825 -11.382  -2.821
  228   1HD   LYS  30          2HD       LYS  30  -3.169 -13.396  -4.155
  229   2HD   LYS  30          1HD       LYS  30  -1.867 -12.902  -5.241
  230   1HE   LYS  30          2HE       LYS  30  -0.351 -12.879  -3.227
  231   2HE   LYS  30          1HE       LYS  30  -1.662 -13.644  -2.328
  232   1HZ   LYS  30          1HZ       LYS  30  -1.613 -15.457  -3.989
  233   2HZ   LYS  30          2HZ       LYS  30  -0.143 -15.306  -3.143
  234   3HZ   LYS  30          3HZ       LYS  30  -0.278 -14.723  -4.715
  235    H    GLN  31           H        GLN  31  -2.987  -7.005  -5.245
  236    HA   GLN  31           HA       GLN  31   0.076  -7.041  -5.560
  237   1HB   GLN  31          2HB       GLN  31   0.199  -6.413  -7.765
  238   2HB   GLN  31          1HB       GLN  31  -0.984  -7.707  -7.751
  239   1HG   GLN  31          2HG       GLN  31  -2.766  -5.998  -7.850
  240   2HG   GLN  31          1HG       GLN  31  -1.515  -4.760  -7.981
  241   1HE2  GLN  31          1HE2      GLN  31  -3.531  -5.378  -9.875
  242   2HE2  GLN  31          2HE2      GLN  31  -2.774  -5.903 -11.324
  243    H    CYS  32           H        CYS  32   1.406  -5.167  -5.562
  244    HA   CYS  32           HA       CYS  32   0.261  -3.259  -3.942
  245   1HB   CYS  32          2HB       CYS  32   2.884  -3.633  -5.340
  246   2HB   CYS  32          1HB       CYS  32   2.514  -2.348  -4.211
  247    H    LEU  33           H        LEU  33  -0.257  -1.160  -4.639
  248    HA   LEU  33           HA       LEU  33   0.444  -0.308  -7.353
  249   1HB   LEU  33          2HB       LEU  33  -1.746   0.215  -8.011
  250   2HB   LEU  33          1HB       LEU  33  -1.823  -1.422  -7.419
  251    HG   LEU  33           HG       LEU  33  -2.787   1.036  -5.943
  252   1HD1  LEU  33          1HD1      LEU  33  -4.152   0.543  -7.868
  253   2HD1  LEU  33          2HD1      LEU  33  -5.023   0.149  -6.383
  254   3HD1  LEU  33          3HD1      LEU  33  -4.310  -1.137  -7.356
  255   1HD2  LEU  33          1HD2      LEU  33  -2.110  -0.639  -4.361
  256   2HD2  LEU  33          2HD2      LEU  33  -2.945  -1.888  -5.259
  257   3HD2  LEU  33          3HD2      LEU  33  -3.877  -0.625  -4.435
  258    H    ARG  34           H        ARG  34   0.577   1.696  -7.635
  259    HA   ARG  34           HA       ARG  34   1.136   3.379  -5.405
  260   1HB   ARG  34          2HB       ARG  34   2.496   3.203  -7.485
  261   2HB   ARG  34          1HB       ARG  34   1.153   3.820  -8.403
  262   1HG   ARG  34          2HG       ARG  34   2.649   5.416  -6.312
  263   2HG   ARG  34          1HG       ARG  34   3.080   5.392  -8.006
  264   1HD   ARG  34          2HD       ARG  34   0.531   6.131  -8.286
  265   2HD   ARG  34          1HD       ARG  34   0.772   6.669  -6.624
  266    HE   ARG  34           HE       ARG  34   2.629   7.490  -8.738
  267   1HH1  ARG  34          1HH1      ARG  34   0.385   8.429  -6.158
  268   2HH1  ARG  34          2HH1      ARG  34   0.566  10.103  -6.407
  269   1HH2  ARG  34          1HH2      ARG  34   2.970   9.794  -8.988
  270   2HH2  ARG  34          2HH2      ARG  34   2.091  10.897  -8.021
  271    H    PHE  35           H        PHE  35   0.075   5.048  -4.897
  272    HA   PHE  35           HA       PHE  35  -2.358   5.371  -6.139
  273   1HB   PHE  35          2HB       PHE  35  -3.637   5.912  -3.940
  274   2HB   PHE  35          1HB       PHE  35  -3.031   4.291  -4.198
  275    HD1  PHE  35           1HD      PHE  35  -3.372   6.885  -1.908
  276    HD2  PHE  35           2HD      PHE  35  -0.609   3.875  -3.104
  277    HE1  PHE  35           1HE      PHE  35  -2.338   6.946   0.316
  278    HE2  PHE  35           2HE      PHE  35   0.428   3.944  -0.883
  279    HZ   PHE  35           HZ       PHE  35  -0.442   5.476   0.835
  280    H    ASP  36           H        ASP  36  -3.226   8.046  -5.154
  281    HA   ASP  36           HA       ASP  36  -0.712   9.427  -5.037
  282   1HB   ASP  36          2HB       ASP  36  -2.407   9.870  -6.926
  283   2HB   ASP  36          1HB       ASP  36  -3.331  10.738  -5.702
  284    H    TYR  37           H        TYR  37  -0.381   9.210  -2.954
  285    HA   TYR  37           HA       TYR  37  -2.290   9.878  -0.898
  286   1HB   TYR  37          2HB       TYR  37  -0.543   8.143  -0.673
  287   2HB   TYR  37          1HB       TYR  37   0.691   9.363  -0.868
  288    HD1  TYR  37           1HD      TYR  37   1.446  10.635   1.008
  289    HD2  TYR  37           2HD      TYR  37  -2.064   8.263   1.357
  290    HE1  TYR  37           1HE      TYR  37   1.412  11.046   3.424
  291    HE2  TYR  37           2HE      TYR  37  -2.103   8.668   3.772
  292    HH   TYR  37           HH       TYR  37  -0.275  11.063   5.223
  293    H    THR  38           H        THR  38  -2.378  11.983   0.185
  294    HA   THR  38           HA       THR  38  -0.850  13.765  -1.436
  295    HB   THR  38           HB       THR  38  -2.424  15.399  -0.302
  296    HG1  THR  38           1HG      THR  38  -4.044  13.147   0.113
  297   1HG2  THR  38          1HG2      THR  38  -2.640  14.590  -2.633
  298   2HG2  THR  38          2HG2      THR  38  -4.214  14.781  -1.864
  299   3HG2  THR  38          3HG2      THR  38  -3.516  13.173  -2.052
  300    H    GLY  39           H        GLY  39  -1.272  13.374   2.155
  301   1HA   GLY  39          2HA       GLY  39   1.023  13.305   3.241
  302   2HA   GLY  39          1HA       GLY  39   1.351  14.736   2.287
  303    H    GLN  40           H        GLN  40  -1.878  15.060   3.298
  304    HA   GLN  40           HA       GLN  40  -1.175  15.757   5.954
  305   1HB   GLN  40          2HB       GLN  40  -1.229  17.800   4.526
  306   2HB   GLN  40          1HB       GLN  40  -2.807  17.329   3.928
  307   1HG   GLN  40          2HG       GLN  40  -3.069  19.081   5.521
  308   2HG   GLN  40          1HG       GLN  40  -3.721  17.591   6.186
  309   1HE2  GLN  40          1HE2      GLN  40  -2.733  20.056   7.480
  310   2HE2  GLN  40          2HE2      GLN  40  -1.549  19.531   8.618
  311    H    GLY  41           H        GLY  41  -2.718  14.237   7.094
  312   1HA   GLY  41          2HA       GLY  41  -4.943  13.724   7.518
  313   2HA   GLY  41          1HA       GLY  41  -5.384  14.458   5.993
  314    H    GLY  42           H        GLY  42  -3.205  11.683   6.726
  315   1HA   GLY  42          2HA       GLY  42  -4.848  10.127   4.837
  316   2HA   GLY  42          1HA       GLY  42  -3.094  10.083   4.839
  317    H    ASN  43           H        ASN  43  -2.990   7.782   5.214
  318    HA   ASN  43           HA       ASN  43  -4.092   6.539   7.674
  319   1HB   ASN  43          2HB       ASN  43  -3.753   4.550   6.334
  320   2HB   ASN  43          1HB       ASN  43  -4.927   5.604   5.567
  321   1HD2  ASN  43          1HD2      ASN  43  -4.502   4.399   3.652
  322   2HD2  ASN  43          2HD2      ASN  43  -3.115   4.773   2.684
  323    H    GLU  44           H        GLU  44  -2.873   4.905   8.366
  324    HA   GLU  44           HA       GLU  44   0.004   5.545   8.985
  325   1HB   GLU  44          2HB       GLU  44  -1.827   3.361   9.925
  326   2HB   GLU  44          1HB       GLU  44  -0.233   3.766  10.547
  327   1HG   GLU  44          2HG       GLU  44  -2.704   5.475  10.708
  328   2HG   GLU  44          1HG       GLU  44  -1.948   4.588  12.032
  329    H    ASN  45           H        ASN  45  -1.534   3.613   6.691
  330    HA   ASN  45           HA       ASN  45   0.853   1.917   6.487
  331   1HB   ASN  45          2HB       ASN  45  -1.421   0.961   6.112
  332   2HB   ASN  45          1HB       ASN  45  -1.611   2.025   4.726
  333   1HD2  ASN  45          1HD2      ASN  45  -0.069  -0.792   5.979
  334   2HD2  ASN  45          2HD2      ASN  45   0.501  -1.368   4.458
  335    H    ASN  46           H        ASN  46   2.397   4.190   5.770
  336    HA   ASN  46           HA       ASN  46   2.445   4.303   3.144
  337   1HB   ASN  46          2HB       ASN  46   3.318   5.896   4.689
  338   2HB   ASN  46          1HB       ASN  46   4.328   4.683   5.451
  339   1HD2  ASN  46          1HD2      ASN  46   6.226   5.520   5.165
  340   2HD2  ASN  46          2HD2      ASN  46   7.018   5.867   3.688
  341    H    PHE  47           H        PHE  47   3.446   3.125   1.631
  342    HA   PHE  47           HA       PHE  47   5.740   1.626   2.454
  343   1HB   PHE  47          2HB       PHE  47   3.885   0.911   0.164
  344   2HB   PHE  47          1HB       PHE  47   5.439   0.134   0.437
  345    HD1  PHE  47           1HD      PHE  47   2.093  -0.267   0.835
  346    HD2  PHE  47           2HD      PHE  47   5.682  -0.625   3.057
  347    HE1  PHE  47           1HE      PHE  47   0.984  -1.847   2.348
  348    HE2  PHE  47           2HE      PHE  47   4.590  -2.205   4.586
  349    HZ   PHE  47           HZ       PHE  47   2.230  -2.820   4.225
  350    H    ARG  48           H        ARG  48   7.415   2.634   1.531
  351    HA   ARG  48           HA       ARG  48   7.132   4.594  -0.835
  352   1HB   ARG  48          2HB       ARG  48   7.907   5.529   1.393
  353   2HB   ARG  48          1HB       ARG  48   9.355   4.541   1.164
  354   1HG   ARG  48          2HG       ARG  48  10.190   5.947  -0.371
  355   2HG   ARG  48          1HG       ARG  48   8.671   5.982  -1.261
  356   1HD   ARG  48          2HD       ARG  48   9.024   8.245  -0.628
  357   2HD   ARG  48          1HD       ARG  48   7.856   7.684   0.483
  358    HE   ARG  48           HE       ARG  48  10.281   7.130   1.679
  359   1HH1  ARG  48          1HH1      ARG  48   8.594  10.047   0.572
  360   2HH1  ARG  48          2HH1      ARG  48   9.335  11.089   1.702
  361   1HH2  ARG  48          1HH2      ARG  48  11.361   8.578   3.194
  362   2HH2  ARG  48          2HH2      ARG  48  10.924  10.217   3.266
  363    H    ARG  49           H        ARG  49   8.155   1.374  -0.222
  364    HA   ARG  49           HA       ARG  49   9.754   1.668  -2.550
  365   1HB   ARG  49          2HB       ARG  49  11.235   1.628  -0.639
  366   2HB   ARG  49          1HB       ARG  49  10.398   0.251   0.043
  367   1HG   ARG  49          2HG       ARG  49  12.458  -0.515  -0.795
  368   2HG   ARG  49          1HG       ARG  49  11.215  -1.087  -1.902
  369   1HD   ARG  49          2HD       ARG  49  11.750   0.773  -3.421
  370   2HD   ARG  49          1HD       ARG  49  13.025   1.289  -2.318
  371    HE   ARG  49           HE       ARG  49  13.351  -1.426  -2.945
  372   1HH1  ARG  49          1HH1      ARG  49  14.006   1.798  -4.230
  373   2HH1  ARG  49          2HH1      ARG  49  15.058   1.257  -5.456
  374   1HH2  ARG  49          1HH2      ARG  49  14.830  -2.172  -4.587
  375   2HH2  ARG  49          2HH2      ARG  49  15.560  -1.065  -5.658
  376    H    THR  50           H        THR  50   9.470  -0.281  -3.880
  377    HA   THR  50           HA       THR  50   6.969  -1.521  -3.589
  378    HB   THR  50           HB       THR  50   9.123  -2.228  -5.592
  379    HG1  THR  50           1HG      THR  50   8.879  -0.141  -5.907
  380   1HG2  THR  50          1HG2      THR  50   7.192  -2.774  -7.034
  381   2HG2  THR  50          2HG2      THR  50   6.093  -2.387  -5.708
  382   3HG2  THR  50          3HG2      THR  50   7.188  -3.762  -5.575
  383    H    TYR  51           H        TYR  51  10.230  -2.793  -2.885
  384    HA   TYR  51           HA       TYR  51   9.231  -5.468  -2.588
  385   1HB   TYR  51          2HB       TYR  51  11.623  -5.163  -2.993
  386   2HB   TYR  51          1HB       TYR  51  11.788  -4.236  -1.506
  387    HD1  TYR  51           1HD      TYR  51  12.724  -5.367   0.282
  388    HD2  TYR  51           2HD      TYR  51  10.448  -7.575  -2.545
  389    HE1  TYR  51           1HE      TYR  51  13.145  -7.428   1.553
  390    HE2  TYR  51           2HE      TYR  51  10.869  -9.639  -1.289
  391    HH   TYR  51           HH       TYR  51  12.371 -10.535   0.296
  392    H    ASP  52           H        ASP  52   9.514  -2.744  -0.486
  393    HA   ASP  52           HA       ASP  52   8.977  -4.030   2.001
  394   1HB   ASP  52          2HB       ASP  52   8.121  -1.287   1.024
  395   2HB   ASP  52          1HB       ASP  52   7.944  -1.840   2.679
  396    H    CYS  53           H        CYS  53   6.612  -2.685  -0.258
  397    HA   CYS  53           HA       CYS  53   4.326  -3.539   1.206
  398   1HB   CYS  53          2HB       CYS  53   3.029  -3.125  -0.706
  399   2HB   CYS  53          1HB       CYS  53   4.297  -1.916  -0.656
  400    H    GLN  54           H        GLN  54   5.864  -4.825  -1.301
  401    HA   GLN  54           HA       GLN  54   4.736  -7.415  -1.791
  402   1HB   GLN  54          2HB       GLN  54   6.144  -6.646  -3.429
  403   2HB   GLN  54          1HB       GLN  54   7.577  -6.609  -2.375
  404   1HG   GLN  54          2HG       GLN  54   7.418  -9.097  -2.331
  405   2HG   GLN  54          1HG       GLN  54   6.093  -8.968  -3.492
  406   1HE2  GLN  54          1HE2      GLN  54   6.558  -8.302  -5.613
  407   2HE2  GLN  54          2HE2      GLN  54   8.171  -8.365  -6.223
  408    H    ARG  55           H        ARG  55   7.416  -6.762   0.223
  409    HA   ARG  55           HA       ARG  55   7.781  -9.466   1.270
  410   1HB   ARG  55          2HB       ARG  55   9.519  -7.634   1.314
  411   2HB   ARG  55          1HB       ARG  55   8.525  -6.813   2.505
  412   1HG   ARG  55          2HG       ARG  55   8.828  -8.729   4.015
  413   2HG   ARG  55          1HG       ARG  55   9.895  -9.467   2.813
  414   1HD   ARG  55          2HD       ARG  55  11.286  -7.436   2.867
  415   2HD   ARG  55          1HD       ARG  55  10.280  -6.816   4.171
  416    HE   ARG  55           HE       ARG  55  11.517  -9.398   4.568
  417   1HH1  ARG  55          1HH1      ARG  55  11.405  -5.964   5.375
  418   2HH1  ARG  55          2HH1      ARG  55  12.722  -6.020   6.471
  419   1HH2  ARG  55          1HH2      ARG  55  13.298  -9.485   6.143
  420   2HH2  ARG  55          2HH2      ARG  55  13.784  -8.073   6.952
  421    H    THR  56           H        THR  56   5.931  -6.546   2.545
  422    HA   THR  56           HA       THR  56   5.177  -8.265   4.523
  423    HB   THR  56           HB       THR  56   5.261  -5.927   5.009
  424    HG1  THR  56           1HG      THR  56   2.847  -7.303   5.298
  425   1HG2  THR  56          1HG2      THR  56   4.579  -5.035   2.851
  426   2HG2  THR  56          2HG2      THR  56   3.601  -4.356   4.156
  427   3HG2  THR  56          3HG2      THR  56   2.938  -5.621   3.121
  428    H    CYS  57           H        CYS  57   3.469  -7.423   1.476
  429    HA   CYS  57           HA       CYS  57   1.157  -8.886   2.497
  430   1HB   CYS  57          2HB       CYS  57   1.311  -6.970   0.188
  431   2HB   CYS  57          1HB       CYS  57  -0.130  -7.777   0.791
  432    H    LEU  58           H        LEU  58   3.633  -9.368   0.254
  433    HA   LEU  58           HA       LEU  58   1.936 -11.201  -1.189
  434   1HB   LEU  58          2HB       LEU  58   3.159  -9.559  -2.504
  435   2HB   LEU  58          1HB       LEU  58   4.679 -10.185  -1.907
  436    HG   LEU  58           HG       LEU  58   4.224 -12.327  -3.068
  437   1HD1  LEU  58          1HD1      LEU  58   1.826 -10.864  -4.175
  438   2HD1  LEU  58          2HD1      LEU  58   1.786 -12.244  -3.077
  439   3HD1  LEU  58          3HD1      LEU  58   2.413 -12.435  -4.715
  440   1HD2  LEU  58          1HD2      LEU  58   5.554 -10.615  -4.156
  441   2HD2  LEU  58          2HD2      LEU  58   4.100  -9.867  -4.810
  442   3HD2  LEU  58          3HD2      LEU  58   4.577 -11.479  -5.341
  443    H    TYR  59           H        TYR  59   4.567 -11.106   1.050
  444    HA   TYR  59           HA       TYR  59   5.145 -13.855   0.520
  445   1HB   TYR  59          2HB       TYR  59   6.732 -11.813   2.073
  446   2HB   TYR  59          1HB       TYR  59   7.122 -13.532   2.091
  447    HD1  TYR  59           1HD      TYR  59   7.569 -14.665  -0.114
  448    HD2  TYR  59           2HD      TYR  59   7.513 -10.442   0.309
  449    HE1  TYR  59           1HE      TYR  59   8.827 -14.450  -2.204
  450    HE2  TYR  59           2HE      TYR  59   8.774 -10.212  -1.788
  451    HH   TYR  59           HH       TYR  59   9.099 -12.788  -3.926
  452    H    THR  60           H        THR  60   3.189 -14.691   1.504
  453    HA   THR  60           HA       THR  60   3.177 -14.769   4.299
  454    HB   THR  60           HB       THR  60   1.835 -12.754   4.003
  455    HG1  THR  60           1HG      THR  60   0.910 -14.222   5.435
  456   1HG2  THR  60          1HG2      THR  60   0.267 -14.226   1.881
  457   2HG2  THR  60          2HG2      THR  60   1.391 -12.897   1.613
  458   3HG2  THR  60          3HG2      THR  60  -0.107 -12.619   2.501
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1  -1.427 -12.469   8.246
    2   2H    LYS   1          2HT       LYS   1  -1.042 -13.163   9.719
    3   3H    LYS   1          3HT       LYS   1  -2.359 -13.756   8.846
    4    HA   LYS   1           HA       LYS   1   0.492 -13.784   8.150
    5   1HB   LYS   1          2HB       LYS   1   0.406 -16.269   8.370
    6   2HB   LYS   1          1HB       LYS   1   0.087 -15.430   9.875
    7   1HG   LYS   1          2HG       LYS   1  -2.286 -15.874   9.651
    8   2HG   LYS   1          1HG       LYS   1  -2.014 -16.628   8.077
    9   1HD   LYS   1          2HD       LYS   1  -2.264 -18.322   9.818
   10   2HD   LYS   1          1HD       LYS   1  -0.629 -18.355   9.155
   11   1HE   LYS   1          2HE       LYS   1   0.117 -16.987  11.084
   12   2HE   LYS   1          1HE       LYS   1  -1.509 -17.097  11.755
   13   1HZ   LYS   1          1HZ       LYS   1   0.363 -19.338  11.249
   14   2HZ   LYS   1          2HZ       LYS   1  -1.226 -19.551  11.746
   15   3HZ   LYS   1          3HZ       LYS   1  -0.112 -18.738  12.761
   16    H    ASP   2           H        ASP   2  -2.782 -14.425   6.962
   17    HA   ASP   2           HA       ASP   2  -1.902 -15.375   4.421
   18   1HB   ASP   2          2HB       ASP   2  -4.255 -15.605   5.271
   19   2HB   ASP   2          1HB       ASP   2  -4.443 -13.859   5.152
   20    H    ARG   3           H        ARG   3  -2.493 -12.379   6.028
   21    HA   ARG   3           HA       ARG   3  -0.410 -11.015   4.892
   22   1HB   ARG   3          2HB       ARG   3  -1.483  -9.340   3.548
   23   2HB   ARG   3          1HB       ARG   3  -2.220 -10.824   2.988
   24   1HG   ARG   3          2HG       ARG   3  -3.445  -8.827   4.896
   25   2HG   ARG   3          1HG       ARG   3  -3.844  -9.015   3.193
   26   1HD   ARG   3          2HD       ARG   3  -4.746 -11.204   3.615
   27   2HD   ARG   3          1HD       ARG   3  -4.211 -11.140   5.295
   28    HE   ARG   3           HE       ARG   3  -6.347  -9.589   4.059
   29   1HH1  ARG   3          1HH1      ARG   3  -4.583 -10.526   7.017
   30   2HH1  ARG   3          2HH1      ARG   3  -5.854 -10.209   8.089
   31   1HH2  ARG   3          1HH2      ARG   3  -8.124  -9.087   5.553
   32   2HH2  ARG   3          2HH2      ARG   3  -7.918  -9.312   7.243
   33    HA   PRO   4           HA       PRO   4  -1.619  -8.680   8.773
   34   1HB   PRO   4          2HB       PRO   4  -0.697  -6.324   7.249
   35   2HB   PRO   4          1HB       PRO   4  -0.123  -6.933   8.804
   36   1HG   PRO   4          2HG       PRO   4   1.407  -7.113   6.658
   37   2HG   PRO   4          1HG       PRO   4   1.325  -8.467   7.803
   38   1HD   PRO   4          2HD       PRO   4  -0.030  -8.137   5.159
   39   2HD   PRO   4          1HD       PRO   4   0.786  -9.562   5.838
   40    H    SER   5           H        SER   5  -3.495  -7.638   9.283
   41    HA   SER   5           HA       SER   5  -5.542  -7.328   7.542
   42   1HB   SER   5          2HB       SER   5  -5.180  -6.010  10.219
   43   2HB   SER   5          1HB       SER   5  -6.721  -6.233   9.387
   44    HG   SER   5           HG       SER   5  -6.708  -8.264   9.824
   45    H    LEU   6           H        LEU   6  -2.890  -5.130   7.946
   46    HA   LEU   6           HA       LEU   6  -4.390  -2.780   7.302
   47   1HB   LEU   6          2HB       LEU   6  -2.123  -1.732   7.451
   48   2HB   LEU   6          1HB       LEU   6  -2.746  -2.416   8.928
   49    HG   LEU   6           HG       LEU   6  -1.242  -4.412   8.512
   50   1HD1  LEU   6          1HD1      LEU   6   0.682  -4.117   7.060
   51   2HD1  LEU   6          2HD1      LEU   6   0.021  -2.591   6.474
   52   3HD1  LEU   6          3HD1      LEU   6  -0.822  -4.104   6.138
   53   1HD2  LEU   6          1HD2      LEU   6   0.033  -1.716   8.897
   54   2HD2  LEU   6          2HD2      LEU   6   0.741  -3.265   9.349
   55   3HD2  LEU   6          3HD2      LEU   6  -0.731  -2.704  10.142
   56    H    CYS   7           H        CYS   7  -3.217  -5.290   5.640
   57    HA   CYS   7           HA       CYS   7  -2.450  -3.829   3.274
   58   1HB   CYS   7          2HB       CYS   7  -3.152  -6.751   3.591
   59   2HB   CYS   7          1HB       CYS   7  -2.362  -6.029   2.190
   60    H    ASP   8           H        ASP   8  -5.259  -4.897   4.724
   61    HA   ASP   8           HA       ASP   8  -7.021  -4.669   2.413
   62   1HB   ASP   8          2HB       ASP   8  -7.236  -6.599   4.065
   63   2HB   ASP   8          1HB       ASP   8  -7.751  -5.424   5.269
   64    H    LEU   9           H        LEU   9  -5.685  -2.358   3.182
   65    HA   LEU   9           HA       LEU   9  -6.466  -0.965   5.502
   66   1HB   LEU   9          2HB       LEU   9  -4.981   0.691   4.650
   67   2HB   LEU   9          1HB       LEU   9  -4.232  -0.874   4.401
   68    HG   LEU   9           HG       LEU   9  -5.760   0.409   2.147
   69   1HD1  LEU   9          1HD1      LEU   9  -4.250   2.135   2.917
   70   2HD1  LEU   9          2HD1      LEU   9  -3.707   1.463   1.380
   71   3HD1  LEU   9          3HD1      LEU   9  -2.909   0.991   2.881
   72   1HD2  LEU   9          1HD2      LEU   9  -3.344  -1.380   2.252
   73   2HD2  LEU   9          2HD2      LEU   9  -4.145  -0.799   0.789
   74   3HD2  LEU   9          3HD2      LEU   9  -4.997  -1.884   1.893
   75    HA   PRO  10           HA       PRO  10  -9.341   1.598   3.368
   76   1HB   PRO  10          2HB       PRO  10  -8.180   4.051   4.484
   77   2HB   PRO  10          1HB       PRO  10  -9.773   3.339   4.766
   78   1HG   PRO  10          2HG       PRO  10  -7.807   3.366   6.641
   79   2HG   PRO  10          1HG       PRO  10  -9.044   2.097   6.547
   80   1HD   PRO  10          2HD       PRO  10  -6.216   2.060   5.605
   81   2HD   PRO  10          1HD       PRO  10  -7.168   0.775   6.377
   82    H    ALA  11           H        ALA  11  -8.905   1.572   1.337
   83    HA   ALA  11           HA       ALA  11  -6.451   2.765   0.041
   84   1HB   ALA  11          1HB       ALA  11  -9.049   1.570  -1.092
   85   2HB   ALA  11          2HB       ALA  11  -7.482   0.771  -1.136
   86   3HB   ALA  11          3HB       ALA  11  -7.759   2.225  -2.097
   87    H    ASP  12           H        ASP  12  -6.621   4.562   0.969
   88    HA   ASP  12           HA       ASP  12  -8.861   6.325   0.351
   89   1HB   ASP  12          2HB       ASP  12  -9.016   5.719   2.750
   90   2HB   ASP  12          1HB       ASP  12  -7.363   6.274   2.982
   91    H    SER  13           H        SER  13  -8.533   8.490  -0.006
   92    HA   SER  13           HA       SER  13  -5.894   8.839  -1.269
   93   1HB   SER  13          2HB       SER  13  -7.289  10.728  -2.355
   94   2HB   SER  13          1HB       SER  13  -7.510   9.057  -2.888
   95    HG   SER  13           HG       SER  13  -9.170  10.691  -1.351
   96    H    GLY  14           H        GLY  14  -7.569  10.236   1.403
   97   1HA   GLY  14          2HA       GLY  14  -6.180  11.268   3.021
   98   2HA   GLY  14          1HA       GLY  14  -5.022  11.628   1.756
   99    H    SER  15           H        SER  15  -5.398  13.618   3.416
  100    HA   SER  15           HA       SER  15  -7.467  15.277   2.249
  101   1HB   SER  15          2HB       SER  15  -7.600  16.361   4.528
  102   2HB   SER  15          1HB       SER  15  -8.260  14.735   4.358
  103    HG   SER  15           HG       SER  15  -7.025  14.262   5.924
  104    H    GLY  16           H        GLY  16  -4.304  15.061   1.889
  105   1HA   GLY  16          2HA       GLY  16  -3.374  17.384   3.296
  106   2HA   GLY  16          1HA       GLY  16  -2.428  16.228   2.388
  107    H    THR  17           H        THR  17  -1.696  18.520   2.142
  108    HA   THR  17           HA       THR  17  -2.807  19.950  -0.259
  109    HB   THR  17           HB       THR  17  -0.666  20.849   1.673
  110    HG1  THR  17           1HG      THR  17  -2.573  20.641   2.880
  111   1HG2  THR  17          1HG2      THR  17  -2.448  22.373  -0.257
  112   2HG2  THR  17          2HG2      THR  17  -0.737  22.024  -0.509
  113   3HG2  THR  17          3HG2      THR  17  -1.237  23.086   0.809
  114    H    LYS  18           H        LYS  18  -0.307  17.614   0.291
  115    HA   LYS  18           HA       LYS  18   1.609  18.682  -1.738
  116   1HB   LYS  18          2HB       LYS  18   2.346  18.384   0.686
  117   2HB   LYS  18          1HB       LYS  18   1.765  16.738   0.585
  118   1HG   LYS  18          2HG       LYS  18   3.428  16.314  -1.195
  119   2HG   LYS  18          1HG       LYS  18   4.033  17.957  -0.972
  120   1HD   LYS  18          2HD       LYS  18   4.599  17.481   1.327
  121   2HD   LYS  18          1HD       LYS  18   3.895  15.870   1.200
  122   1HE   LYS  18          2HE       LYS  18   5.552  15.279  -0.488
  123   2HE   LYS  18          1HE       LYS  18   6.250  16.895  -0.368
  124   1HZ   LYS  18          1HZ       LYS  18   6.117  14.921   1.856
  125   2HZ   LYS  18          2HZ       LYS  18   6.830  16.438   1.927
  126   3HZ   LYS  18          3HZ       LYS  18   7.478  15.259   0.912
  127    H    ALA  19           H        ALA  19   2.517  17.049  -3.039
  128    HA   ALA  19           HA       ALA  19   0.781  14.657  -3.410
  129   1HB   ALA  19          1HB       ALA  19   1.508  14.648  -5.729
  130   2HB   ALA  19          2HB       ALA  19   2.524  16.061  -5.447
  131   3HB   ALA  19          3HB       ALA  19   0.768  16.207  -5.372
  132    H    GLU  20           H        GLU  20   1.617  12.793  -3.005
  133    HA   GLU  20           HA       GLU  20   4.455  12.617  -2.870
  134   1HB   GLU  20          2HB       GLU  20   3.770  13.102  -0.657
  135   2HB   GLU  20          1HB       GLU  20   2.433  11.977  -0.738
  136   1HG   GLU  20          2HG       GLU  20   4.090  11.103   0.698
  137   2HG   GLU  20          1HG       GLU  20   4.060  10.127  -0.761
  138    H    LYS  21           H        LYS  21   5.000  10.620  -3.885
  139    HA   LYS  21           HA       LYS  21   2.794   8.838  -4.851
  140   1HB   LYS  21          2HB       LYS  21   4.297  10.161  -6.467
  141   2HB   LYS  21          1HB       LYS  21   5.646   9.270  -5.807
  142   1HG   LYS  21          2HG       LYS  21   3.314   7.910  -7.141
  143   2HG   LYS  21          1HG       LYS  21   4.685   8.533  -8.042
  144   1HD   LYS  21          2HD       LYS  21   4.865   6.478  -5.833
  145   2HD   LYS  21          1HD       LYS  21   4.796   6.096  -7.553
  146   1HE   LYS  21          2HE       LYS  21   6.872   7.402  -7.874
  147   2HE   LYS  21          1HE       LYS  21   6.946   7.659  -6.129
  148   1HZ   LYS  21          1HZ       LYS  21   6.926   5.010  -7.449
  149   2HZ   LYS  21          2HZ       LYS  21   7.195   5.281  -5.796
  150   3HZ   LYS  21          3HZ       LYS  21   8.319   5.793  -6.953
  151    H    ARG  22           H        ARG  22   2.354   7.321  -3.378
  152    HA   ARG  22           HA       ARG  22   4.769   5.938  -2.929
  153   1HB   ARG  22          2HB       ARG  22   2.680   6.411  -0.830
  154   2HB   ARG  22          1HB       ARG  22   3.994   5.256  -0.617
  155   1HG   ARG  22          2HG       ARG  22   5.542   7.190  -1.188
  156   2HG   ARG  22          1HG       ARG  22   4.144   8.223  -0.938
  157   1HD   ARG  22          2HD       ARG  22   3.953   7.049   1.347
  158   2HD   ARG  22          1HD       ARG  22   5.569   6.471   0.998
  159    HE   ARG  22           HE       ARG  22   5.870   9.035   0.503
  160   1HH1  ARG  22          1HH1      ARG  22   4.690   7.302   3.316
  161   2HH1  ARG  22          2HH1      ARG  22   4.868   8.625   4.392
  162   1HH2  ARG  22          1HH2      ARG  22   6.101  10.850   1.912
  163   2HH2  ARG  22          2HH2      ARG  22   5.688  10.729   3.560
  164    H    ILE  23           H        ILE  23   3.619   3.445  -1.518
  165    HA   ILE  23           HA       ILE  23   1.696   2.674  -3.562
  166    HB   ILE  23           HB       ILE  23   3.971   1.951  -4.353
  167   1HG1  ILE  23          2HG1      ILE  23   2.363  -0.439  -3.473
  168   2HG1  ILE  23          1HG1      ILE  23   1.950   0.573  -4.851
  169   1HG2  ILE  23          1HG2      ILE  23   5.099   1.647  -2.196
  170   2HG2  ILE  23          2HG2      ILE  23   5.166   0.171  -3.185
  171   3HG2  ILE  23          3HG2      ILE  23   4.029   0.272  -1.863
  172   1HD1  ILE  23          1HD1      ILE  23   3.091  -1.440  -5.557
  173   2HD1  ILE  23          2HD1      ILE  23   4.467  -1.043  -4.527
  174   3HD1  ILE  23          3HD1      ILE  23   4.078  -0.019  -5.910
  175    H    TYR  24           H        TYR  24   0.247   0.975  -2.852
  176    HA   TYR  24           HA       TYR  24   0.544   0.148  -0.062
  177   1HB   TYR  24          2HB       TYR  24  -1.778   0.636   0.446
  178   2HB   TYR  24          1HB       TYR  24  -1.047   2.114  -0.137
  179    HD1  TYR  24           1HD      TYR  24  -3.818  -0.006  -0.328
  180    HD2  TYR  24           2HD      TYR  24  -1.518   2.599  -2.740
  181    HE1  TYR  24           1HE      TYR  24  -5.725   0.251  -1.841
  182    HE2  TYR  24           2HE      TYR  24  -3.439   2.844  -4.282
  183    HH   TYR  24           HH       TYR  24  -5.488   1.780  -4.915
  184    H    TYR  25           H        TYR  25  -1.028  -1.880   0.313
  185    HA   TYR  25           HA       TYR  25  -0.751  -3.432  -1.906
  186   1HB   TYR  25          2HB       TYR  25  -0.386  -4.207   0.298
  187   2HB   TYR  25          1HB       TYR  25  -2.045  -3.853   0.755
  188    HD1  TYR  25           1HD      TYR  25  -0.035  -5.974  -1.579
  189    HD2  TYR  25           2HD      TYR  25  -3.652  -5.519   0.598
  190    HE1  TYR  25           1HE      TYR  25  -0.656  -8.298  -2.119
  191    HE2  TYR  25           2HE      TYR  25  -4.277  -7.818   0.069
  192    HH   TYR  25           HH       TYR  25  -2.133 -10.073  -1.106
  193    H    ASN  26           H        ASN  26  -2.548  -3.965  -3.372
  194    HA   ASN  26           HA       ASN  26  -5.248  -3.089  -2.571
  195   1HB   ASN  26          2HB       ASN  26  -4.398  -2.397  -4.869
  196   2HB   ASN  26          1HB       ASN  26  -4.248  -4.104  -5.251
  197   1HD2  ASN  26          1HD2      ASN  26  -5.992  -1.768  -6.230
  198   2HD2  ASN  26          2HD2      ASN  26  -7.580  -2.417  -6.195
  199    H    SER  27           H        SER  27  -6.420  -4.221  -1.695
  200    HA   SER  27           HA       SER  27  -5.513  -6.732  -1.040
  201   1HB   SER  27          2HB       SER  27  -6.635  -5.374   0.622
  202   2HB   SER  27          1HB       SER  27  -8.138  -5.432  -0.290
  203    HG   SER  27           HG       SER  27  -8.291  -6.826   1.350
  204    H    ALA  28           H        ALA  28  -8.045  -5.668  -3.195
  205    HA   ALA  28           HA       ALA  28  -9.241  -8.224  -3.549
  206   1HB   ALA  28          1HB       ALA  28 -10.523  -7.150  -5.342
  207   2HB   ALA  28          2HB       ALA  28  -9.500  -5.724  -5.201
  208   3HB   ALA  28          3HB       ALA  28 -10.532  -6.208  -3.852
  209    H    ARG  29           H        ARG  29  -6.990  -6.242  -5.174
  210    HA   ARG  29           HA       ARG  29  -6.716  -8.061  -7.451
  211   1HB   ARG  29          2HB       ARG  29  -5.234  -5.480  -6.958
  212   2HB   ARG  29          1HB       ARG  29  -4.718  -6.582  -8.217
  213   1HG   ARG  29          2HG       ARG  29  -6.061  -4.896  -9.239
  214   2HG   ARG  29          1HG       ARG  29  -7.004  -6.383  -9.233
  215   1HD   ARG  29          2HD       ARG  29  -8.245  -5.593  -7.292
  216   2HD   ARG  29          1HD       ARG  29  -7.266  -4.128  -7.248
  217    HE   ARG  29           HE       ARG  29  -9.407  -4.785  -9.104
  218   1HH1  ARG  29          1HH1      ARG  29  -6.710  -2.573  -8.534
  219   2HH1  ARG  29          2HH1      ARG  29  -7.514  -1.215  -9.177
  220   1HH2  ARG  29          1HH2      ARG  29 -10.522  -2.872  -9.957
  221   2HH2  ARG  29          2HH2      ARG  29  -9.714  -1.382  -9.967
  222    H    LYS  30           H        LYS  30  -5.576  -8.045  -4.515
  223    HA   LYS  30           HA       LYS  30  -3.830  -8.903  -3.267
  224   1HB   LYS  30          2HB       LYS  30  -5.044 -10.917  -4.136
  225   2HB   LYS  30          1HB       LYS  30  -3.970 -10.975  -5.512
  226   1HG   LYS  30          2HG       LYS  30  -2.618 -11.169  -2.897
  227   2HG   LYS  30          1HG       LYS  30  -3.743 -12.478  -3.247
  228   1HD   LYS  30          2HD       LYS  30  -2.556 -12.921  -5.351
  229   2HD   LYS  30          1HD       LYS  30  -1.450 -11.592  -5.002
  230   1HE   LYS  30          2HE       LYS  30  -0.420 -13.718  -4.436
  231   2HE   LYS  30          1HE       LYS  30  -0.689 -12.762  -2.983
  232   1HZ   LYS  30          1HZ       LYS  30  -1.268 -15.123  -2.711
  233   2HZ   LYS  30          2HZ       LYS  30  -2.433 -14.991  -3.909
  234   3HZ   LYS  30          3HZ       LYS  30  -2.619 -14.153  -2.463
  235    H    GLN  31           H        GLN  31  -3.136  -7.140  -4.890
  236    HA   GLN  31           HA       GLN  31  -0.074  -7.265  -5.323
  237   1HB   GLN  31          2HB       GLN  31  -0.063  -6.424  -7.518
  238   2HB   GLN  31          1HB       GLN  31  -1.160  -7.792  -7.516
  239   1HG   GLN  31          2HG       GLN  31  -3.051  -6.211  -7.414
  240   2HG   GLN  31          1HG       GLN  31  -1.902  -4.881  -7.518
  241   1HE2  GLN  31          1HE2      GLN  31  -0.776  -4.567  -9.444
  242   2HE2  GLN  31          2HE2      GLN  31  -1.325  -5.210 -10.943
  243    H    CYS  32           H        CYS  32   1.293  -5.394  -5.074
  244    HA   CYS  32           HA       CYS  32  -0.373  -3.808  -3.715
  245   1HB   CYS  32          2HB       CYS  32   1.837  -2.599  -2.952
  246   2HB   CYS  32          1HB       CYS  32   1.415  -4.195  -2.356
  247    H    LEU  33           H        LEU  33  -0.550  -1.415  -4.450
  248    HA   LEU  33           HA       LEU  33   0.749  -0.524  -6.934
  249   1HB   LEU  33          2HB       LEU  33  -1.438  -0.097  -7.958
  250   2HB   LEU  33          1HB       LEU  33  -1.105  -1.801  -7.834
  251    HG   LEU  33           HG       LEU  33  -2.664  -1.830  -5.827
  252   1HD1  LEU  33          1HD1      LEU  33  -2.676   0.540  -5.334
  253   2HD1  LEU  33          2HD1      LEU  33  -4.305  -0.046  -5.687
  254   3HD1  LEU  33          3HD1      LEU  33  -3.411   0.871  -6.898
  255   1HD2  LEU  33          1HD2      LEU  33  -3.764  -1.070  -8.515
  256   2HD2  LEU  33          2HD2      LEU  33  -4.656  -1.879  -7.225
  257   3HD2  LEU  33          3HD2      LEU  33  -3.290  -2.686  -7.996
  258    H    ARG  34           H        ARG  34   0.561   1.391  -7.473
  259    HA   ARG  34           HA       ARG  34   1.173   2.978  -5.204
  260   1HB   ARG  34          2HB       ARG  34   2.513   2.863  -7.290
  261   2HB   ARG  34          1HB       ARG  34   1.195   3.598  -8.169
  262   1HG   ARG  34          2HG       ARG  34   2.681   4.980  -5.940
  263   2HG   ARG  34          1HG       ARG  34   3.171   5.061  -7.623
  264   1HD   ARG  34          2HD       ARG  34   0.532   5.994  -6.497
  265   2HD   ARG  34          1HD       ARG  34   1.897   7.029  -6.871
  266    HE   ARG  34           HE       ARG  34   1.589   5.967  -9.207
  267   1HH1  ARG  34          1HH1      ARG  34  -0.854   7.122  -7.001
  268   2HH1  ARG  34          2HH1      ARG  34  -2.067   7.430  -8.147
  269   1HH2  ARG  34          1HH2      ARG  34   0.027   6.469 -10.887
  270   2HH2  ARG  34          2HH2      ARG  34  -1.506   7.067 -10.486
  271    H    PHE  35           H        PHE  35   0.244   4.712  -4.511
  272    HA   PHE  35           HA       PHE  35  -2.208   5.178  -5.635
  273   1HB   PHE  35          2HB       PHE  35  -3.320   5.939  -3.408
  274   2HB   PHE  35          1HB       PHE  35  -2.772   4.283  -3.515
  275    HD1  PHE  35           1HD      PHE  35  -2.989   7.019  -1.451
  276    HD2  PHE  35           2HD      PHE  35  -0.202   4.007  -2.577
  277    HE1  PHE  35           1HE      PHE  35  -1.809   7.320   0.682
  278    HE2  PHE  35           2HE      PHE  35   0.990   4.309  -0.446
  279    HZ   PHE  35           HZ       PHE  35   0.184   5.963   1.190
  280    H    ASP  36           H        ASP  36  -2.878   7.892  -4.823
  281    HA   ASP  36           HA       ASP  36  -0.362   9.219  -4.745
  282   1HB   ASP  36          2HB       ASP  36  -1.838   9.843  -6.604
  283   2HB   ASP  36          1HB       ASP  36  -3.113  10.257  -5.468
  284    H    TYR  37           H        TYR  37   0.169  10.045  -2.852
  285    HA   TYR  37           HA       TYR  37  -1.884  10.306  -0.757
  286   1HB   TYR  37          2HB       TYR  37  -0.084   8.638  -0.420
  287   2HB   TYR  37          1HB       TYR  37   1.116   9.868  -0.721
  288    HD1  TYR  37           1HD      TYR  37   2.257  10.459   1.192
  289    HD2  TYR  37           2HD      TYR  37  -1.894   9.595   1.512
  290    HE1  TYR  37           1HE      TYR  37   2.344  10.967   3.592
  291    HE2  TYR  37           2HE      TYR  37  -1.816  10.103   3.915
  292    HH   TYR  37           HH       TYR  37   0.813  11.681   5.343
  293    H    THR  38           H        THR  38  -2.218  12.429   0.182
  294    HA   THR  38           HA       THR  38  -0.795  14.332  -1.287
  295    HB   THR  38           HB       THR  38  -2.674  15.744  -0.095
  296    HG1  THR  38           1HG      THR  38  -4.207  13.453  -0.192
  297   1HG2  THR  38          1HG2      THR  38  -2.556  15.288  -2.519
  298   2HG2  THR  38          2HG2      THR  38  -4.214  15.171  -1.926
  299   3HG2  THR  38          3HG2      THR  38  -3.288  13.705  -2.255
  300    H    GLY  39           H        GLY  39   0.532  13.041   0.792
  301   1HA   GLY  39          2HA       GLY  39   1.934  13.416   2.532
  302   2HA   GLY  39          1HA       GLY  39   1.550  15.108   2.338
  303    H    GLN  40           H        GLN  40  -1.529  14.329   3.209
  304    HA   GLN  40           HA       GLN  40  -0.749  13.983   5.925
  305   1HB   GLN  40          2HB       GLN  40  -1.000  16.373   5.560
  306   2HB   GLN  40          1HB       GLN  40  -2.567  16.129   4.808
  307   1HG   GLN  40          2HG       GLN  40  -2.860  16.966   7.037
  308   2HG   GLN  40          1HG       GLN  40  -3.447  15.308   6.945
  309   1HE2  GLN  40          1HE2      GLN  40  -3.242  14.870   9.059
  310   2HE2  GLN  40          2HE2      GLN  40  -1.735  14.759   9.898
  311    H    GLY  41           H        GLY  41  -2.509  12.675   6.991
  312   1HA   GLY  41          2HA       GLY  41  -4.792  12.136   7.185
  313   2HA   GLY  41          1HA       GLY  41  -5.053  12.865   5.618
  314    H    GLY  42           H        GLY  42  -2.906  10.194   6.581
  315   1HA   GLY  42          2HA       GLY  42  -4.192   8.749   4.372
  316   2HA   GLY  42          1HA       GLY  42  -2.506   8.571   4.821
  317    H    ASN  43           H        ASN  43  -2.716   6.430   4.920
  318    HA   ASN  43           HA       ASN  43  -4.197   4.988   7.020
  319   1HB   ASN  43          2HB       ASN  43  -4.015   3.237   5.197
  320   2HB   ASN  43          1HB       ASN  43  -5.182   4.506   4.854
  321   1HD2  ASN  43          1HD2      ASN  43  -5.072   4.186   2.641
  322   2HD2  ASN  43          2HD2      ASN  43  -3.691   4.621   1.678
  323    H    GLU  44           H        GLU  44  -3.100   3.144   7.600
  324    HA   GLU  44           HA       GLU  44  -0.300   3.629   8.282
  325   1HB   GLU  44          2HB       GLU  44  -2.206   1.397   8.902
  326   2HB   GLU  44          1HB       GLU  44  -0.590   1.601   9.567
  327   1HG   GLU  44          2HG       GLU  44  -2.906   3.481   9.946
  328   2HG   GLU  44          1HG       GLU  44  -2.293   2.335  11.136
  329    H    ASN  45           H        ASN  45  -1.974   1.819   5.859
  330    HA   ASN  45           HA       ASN  45   0.401   0.241   5.411
  331   1HB   ASN  45          2HB       ASN  45  -1.903  -0.643   4.899
  332   2HB   ASN  45          1HB       ASN  45  -2.045   0.570   3.644
  333   1HD2  ASN  45          1HD2      ASN  45  -0.680  -2.416   4.566
  334   2HD2  ASN  45          2HD2      ASN  45  -0.006  -2.887   3.045
  335    H    ASN  46           H        ASN  46   1.986   1.495   4.862
  336    HA   ASN  46           HA       ASN  46   1.650   3.470   2.708
  337   1HB   ASN  46          2HB       ASN  46   1.248   4.613   4.885
  338   2HB   ASN  46          1HB       ASN  46   2.821   4.085   5.441
  339   1HD2  ASN  46          1HD2      ASN  46   1.726   6.752   5.220
  340   2HD2  ASN  46          2HD2      ASN  46   2.770   7.654   4.192
  341    H    PHE  47           H        PHE  47   3.133   2.729   1.265
  342    HA   PHE  47           HA       PHE  47   5.609   1.983   2.484
  343   1HB   PHE  47          2HB       PHE  47   4.406   0.794   0.002
  344   2HB   PHE  47          1HB       PHE  47   6.007   0.383   0.634
  345    HD1  PHE  47           1HD      PHE  47   2.602  -0.428   0.723
  346    HD2  PHE  47           2HD      PHE  47   6.074  -0.239   3.160
  347    HE1  PHE  47           1HE      PHE  47   1.552  -1.932   2.343
  348    HE2  PHE  47           2HE      PHE  47   5.029  -1.754   4.777
  349    HZ   PHE  47           HZ       PHE  47   2.759  -2.595   4.366
  350    H    ARG  48           H        ARG  48   7.421   2.832   1.598
  351    HA   ARG  48           HA       ARG  48   7.173   4.998  -0.465
  352   1HB   ARG  48          2HB       ARG  48   8.089   5.485   1.815
  353   2HB   ARG  48          1HB       ARG  48   9.398   4.375   1.485
  354   1HG   ARG  48          2HG       ARG  48  10.434   6.319   0.901
  355   2HG   ARG  48          1HG       ARG  48   9.661   5.985  -0.647
  356   1HD   ARG  48          2HD       ARG  48   9.284   8.335  -0.016
  357   2HD   ARG  48          1HD       ARG  48   7.760   7.488   0.022
  358    HE   ARG  48           HE       ARG  48   8.209   7.220   2.501
  359   1HH1  ARG  48          1HH1      ARG  48   9.325  10.098   0.684
  360   2HH1  ARG  48          2HH1      ARG  48   9.430  11.040   2.098
  361   1HH2  ARG  48          1HH2      ARG  48   8.333   8.592   4.370
  362   2HH2  ARG  48          2HH2      ARG  48   8.827  10.197   4.216
  363    H    ARG  49           H        ARG  49   8.108   1.637  -0.156
  364    HA   ARG  49           HA       ARG  49   9.767   1.962  -2.450
  365   1HB   ARG  49          2HB       ARG  49  11.133   1.882  -0.417
  366   2HB   ARG  49          1HB       ARG  49  10.352   0.389   0.055
  367   1HG   ARG  49          2HG       ARG  49  11.341  -0.695  -1.933
  368   2HG   ARG  49          1HG       ARG  49  12.189   0.812  -2.287
  369   1HD   ARG  49          2HD       ARG  49  12.452  -0.831   0.231
  370   2HD   ARG  49          1HD       ARG  49  13.637  -0.736  -1.069
  371    HE   ARG  49           HE       ARG  49  14.105   1.495  -0.458
  372   1HH1  ARG  49          1HH1      ARG  49  11.842  -0.062   1.813
  373   2HH1  ARG  49          2HH1      ARG  49  12.226   0.948   3.122
  374   1HH2  ARG  49          1HH2      ARG  49  14.642   2.892   1.399
  375   2HH2  ARG  49          2HH2      ARG  49  13.852   2.634   2.886
  376    H    THR  50           H        THR  50   9.677   0.064  -3.741
  377    HA   THR  50           HA       THR  50   7.160  -1.207  -3.788
  378    HB   THR  50           HB       THR  50   8.278  -0.455  -5.823
  379    HG1  THR  50           1HG      THR  50   8.146  -2.526  -7.014
  380   1HG2  THR  50          1HG2      THR  50  10.247  -2.694  -5.329
  381   2HG2  THR  50          2HG2      THR  50  10.590  -0.963  -5.263
  382   3HG2  THR  50          3HG2      THR  50  10.154  -1.717  -6.794
  383    H    TYR  51           H        TYR  51  10.294  -2.493  -2.685
  384    HA   TYR  51           HA       TYR  51   9.280  -5.222  -2.617
  385   1HB   TYR  51          2HB       TYR  51  11.739  -4.704  -2.760
  386   2HB   TYR  51          1HB       TYR  51  11.654  -4.055  -1.129
  387    HD1  TYR  51           1HD      TYR  51  12.130  -5.483   0.650
  388    HD2  TYR  51           2HD      TYR  51  10.925  -7.149  -3.070
  389    HE1  TYR  51           1HE      TYR  51  12.555  -7.740   1.523
  390    HE2  TYR  51           2HE      TYR  51  11.347  -9.405  -2.208
  391    HH   TYR  51           HH       TYR  51  12.604 -10.489  -0.524
  392    H    ASP  52           H        ASP  52   9.319  -2.509  -0.543
  393    HA   ASP  52           HA       ASP  52   8.754  -3.858   1.887
  394   1HB   ASP  52          2HB       ASP  52   8.168  -1.041   0.996
  395   2HB   ASP  52          1HB       ASP  52   7.658  -1.630   2.573
  396    H    CYS  53           H        CYS  53   6.444  -2.465  -0.411
  397    HA   CYS  53           HA       CYS  53   4.123  -3.354   0.962
  398   1HB   CYS  53          2HB       CYS  53   2.919  -3.171  -1.166
  399   2HB   CYS  53          1HB       CYS  53   3.938  -1.777  -0.872
  400    H    GLN  54           H        GLN  54   5.734  -4.672  -1.435
  401    HA   GLN  54           HA       GLN  54   4.591  -7.247  -1.806
  402   1HB   GLN  54          2HB       GLN  54   5.994  -6.736  -3.495
  403   2HB   GLN  54          1HB       GLN  54   7.455  -6.626  -2.469
  404   1HG   GLN  54          2HG       GLN  54   7.153  -9.102  -2.115
  405   2HG   GLN  54          1HG       GLN  54   5.873  -9.045  -3.323
  406   1HE2  GLN  54          1HE2      GLN  54   6.954 -10.419  -4.704
  407   2HE2  GLN  54          2HE2      GLN  54   8.356  -9.931  -5.587
  408    H    ARG  55           H        ARG  55   7.287  -6.584   0.199
  409    HA   ARG  55           HA       ARG  55   7.640  -9.262   1.238
  410   1HB   ARG  55          2HB       ARG  55   9.444  -7.583   1.333
  411   2HB   ARG  55          1HB       ARG  55   8.474  -6.608   2.424
  412   1HG   ARG  55          2HG       ARG  55   8.536  -8.417   4.071
  413   2HG   ARG  55          1HG       ARG  55   9.554  -9.355   2.974
  414   1HD   ARG  55          2HD       ARG  55  11.213  -7.574   3.011
  415   2HD   ARG  55          1HD       ARG  55  10.211  -6.660   4.126
  416    HE   ARG  55           HE       ARG  55  10.833  -9.317   5.010
  417   1HH1  ARG  55          1HH1      ARG  55  11.877  -5.921   5.075
  418   2HH1  ARG  55          2HH1      ARG  55  12.872  -6.115   6.442
  419   1HH2  ARG  55          1HH2      ARG  55  12.292  -9.582   6.836
  420   2HH2  ARG  55          2HH2      ARG  55  13.115  -8.209   7.452
  421    H    THR  56           H        THR  56   5.913  -6.371   2.716
  422    HA   THR  56           HA       THR  56   5.252  -8.115   4.769
  423    HB   THR  56           HB       THR  56   5.514  -5.713   5.138
  424    HG1  THR  56           1HG      THR  56   3.827  -7.171   6.311
  425   1HG2  THR  56          1HG2      THR  56   3.767  -4.155   4.453
  426   2HG2  THR  56          2HG2      THR  56   2.966  -5.453   3.570
  427   3HG2  THR  56          3HG2      THR  56   4.563  -4.897   3.065
  428    H    CYS  57           H        CYS  57   3.384  -7.159   1.856
  429    HA   CYS  57           HA       CYS  57   1.108  -8.601   2.989
  430   1HB   CYS  57          2HB       CYS  57   1.144  -6.734   0.636
  431   2HB   CYS  57          1HB       CYS  57  -0.276  -7.480   1.347
  432    H    LEU  58           H        LEU  58   3.504  -9.149   0.616
  433    HA   LEU  58           HA       LEU  58   1.689 -10.938  -0.744
  434   1HB   LEU  58          2HB       LEU  58   2.897  -9.379  -2.180
  435   2HB   LEU  58          1HB       LEU  58   4.425 -10.042  -1.644
  436    HG   LEU  58           HG       LEU  58   3.796 -12.218  -2.687
  437   1HD1  LEU  58          1HD1      LEU  58   1.934 -12.287  -4.252
  438   2HD1  LEU  58          2HD1      LEU  58   1.464 -10.658  -3.774
  439   3HD1  LEU  58          3HD1      LEU  58   1.386 -11.981  -2.605
  440   1HD2  LEU  58          1HD2      LEU  58   5.201 -10.668  -3.908
  441   2HD2  LEU  58          2HD2      LEU  58   3.776  -9.815  -4.507
  442   3HD2  LEU  58          3HD2      LEU  58   4.091 -11.472  -5.021
  443    H    TYR  59           H        TYR  59   4.435 -10.978   1.403
  444    HA   TYR  59           HA       TYR  59   4.975 -13.765   0.814
  445   1HB   TYR  59          2HB       TYR  59   6.415 -11.822   2.634
  446   2HB   TYR  59          1HB       TYR  59   6.792 -13.531   2.533
  447    HD1  TYR  59           1HD      TYR  59   8.267 -14.325   0.917
  448    HD2  TYR  59           2HD      TYR  59   6.719 -10.402   0.533
  449    HE1  TYR  59           1HE      TYR  59   9.858 -13.887  -0.900
  450    HE2  TYR  59           2HE      TYR  59   8.301  -9.946  -1.288
  451    HH   TYR  59           HH       TYR  59   9.911 -12.331  -2.887
  452    H    THR  60           H        THR  60   2.966 -14.247   1.356
  453    HA   THR  60           HA       THR  60   2.318 -14.456   4.129
  454    HB   THR  60           HB       THR  60   0.441 -14.281   2.659
  455    HG1  THR  60           1HG      THR  60   0.180 -15.662   4.394
  456   1HG2  THR  60          1HG2      THR  60  -0.112 -15.931   0.906
  457   2HG2  THR  60          2HG2      THR  60   1.420 -16.752   1.214
  458   3HG2  THR  60          3HG2      THR  60   1.413 -15.108   0.575
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1   2.727 -16.285  10.019
    2   2H    LYS   1          2HT       LYS   1   1.046 -16.231   9.943
    3   3H    LYS   1          3HT       LYS   1   1.913 -14.866   9.548
    4    HA   LYS   1           HA       LYS   1   2.826 -15.972   7.615
    5   1HB   LYS   1          2HB       LYS   1   2.741 -18.290   8.644
    6   2HB   LYS   1          1HB       LYS   1   1.003 -18.262   8.505
    7   1HG   LYS   1          2HG       LYS   1   2.870 -18.205   6.122
    8   2HG   LYS   1          1HG       LYS   1   2.247 -19.686   6.839
    9   1HD   LYS   1          2HD       LYS   1  -0.071 -18.797   6.377
   10   2HD   LYS   1          1HD       LYS   1   0.690 -17.485   5.481
   11   1HE   LYS   1          2HE       LYS   1   0.924 -20.438   4.872
   12   2HE   LYS   1          1HE       LYS   1  -0.046 -19.269   3.985
   13   1HZ   LYS   1          1HZ       LYS   1   2.932 -19.272   4.177
   14   2HZ   LYS   1          2HZ       LYS   1   2.013 -18.105   3.405
   15   3HZ   LYS   1          3HZ       LYS   1   2.002 -19.690   2.825
   16    H    ASP   2           H        ASP   2  -0.494 -15.871   8.857
   17    HA   ASP   2           HA       ASP   2  -1.577 -15.239   6.296
   18   1HB   ASP   2          2HB       ASP   2  -3.027 -16.081   8.166
   19   2HB   ASP   2          1HB       ASP   2  -2.682 -14.613   9.070
   20    H    ARG   3           H        ARG   3  -2.530 -13.170   5.705
   21    HA   ARG   3           HA       ARG   3  -0.529 -11.259   5.352
   22   1HB   ARG   3          2HB       ARG   3  -3.493 -10.796   5.154
   23   2HB   ARG   3          1HB       ARG   3  -2.210 -10.059   4.211
   24   1HG   ARG   3          2HG       ARG   3  -2.265 -11.687   2.683
   25   2HG   ARG   3          1HG       ARG   3  -2.370 -12.959   3.913
   26   1HD   ARG   3          2HD       ARG   3  -4.640 -11.210   2.950
   27   2HD   ARG   3          1HD       ARG   3  -4.421 -12.930   2.599
   28    HE   ARG   3           HE       ARG   3  -4.567 -13.263   5.086
   29   1HH1  ARG   3          1HH1      ARG   3  -6.452 -10.739   3.452
   30   2HH1  ARG   3          2HH1      ARG   3  -7.421 -10.411   4.783
   31   1HH2  ARG   3          1HH2      ARG   3  -5.844 -12.793   6.919
   32   2HH2  ARG   3          2HH2      ARG   3  -7.066 -11.597   6.853
   33    HA   PRO   4           HA       PRO   4  -1.140  -8.842   9.223
   34   1HB   PRO   4          2HB       PRO   4   0.064  -6.769   7.450
   35   2HB   PRO   4          1HB       PRO   4   0.565  -7.265   9.072
   36   1HG   PRO   4          2HG       PRO   4   2.005  -7.958   6.966
   37   2HG   PRO   4          1HG       PRO   4   1.735  -9.111   8.287
   38   1HD   PRO   4          2HD       PRO   4   0.437  -8.971   5.595
   39   2HD   PRO   4          1HD       PRO   4   0.973 -10.391   6.518
   40    H    SER   5           H        SER   5  -2.924  -7.599   9.702
   41    HA   SER   5           HA       SER   5  -4.916  -7.303   7.905
   42   1HB   SER   5          2HB       SER   5  -4.616  -5.910  10.541
   43   2HB   SER   5          1HB       SER   5  -6.132  -6.148   9.662
   44    HG   SER   5           HG       SER   5  -6.156  -8.174  10.188
   45    H    LEU   6           H        LEU   6  -2.264  -5.241   7.865
   46    HA   LEU   6           HA       LEU   6  -3.733  -2.791   7.411
   47   1HB   LEU   6          2HB       LEU   6  -1.734  -1.645   7.363
   48   2HB   LEU   6          1HB       LEU   6  -1.395  -2.937   8.485
   49    HG   LEU   6           HG       LEU   6  -0.489  -2.852   5.598
   50   1HD1  LEU   6          1HD1      LEU   6   0.590  -1.146   6.914
   51   2HD1  LEU   6          2HD1      LEU   6   1.730  -2.438   6.528
   52   3HD1  LEU   6          3HD1      LEU   6   1.020  -2.335   8.142
   53   1HD2  LEU   6          1HD2      LEU   6  -0.728  -5.136   6.448
   54   2HD2  LEU   6          2HD2      LEU   6   0.292  -4.724   7.826
   55   3HD2  LEU   6          3HD2      LEU   6   0.962  -4.708   6.195
   56    H    CYS   7           H        CYS   7  -2.993  -5.429   5.562
   57    HA   CYS   7           HA       CYS   7  -2.548  -4.103   3.077
   58   1HB   CYS   7          2HB       CYS   7  -3.325  -6.957   3.656
   59   2HB   CYS   7          1HB       CYS   7  -2.606  -6.333   2.170
   60    H    ASP   8           H        ASP   8  -5.225  -5.019   4.966
   61    HA   ASP   8           HA       ASP   8  -7.253  -4.789   2.848
   62   1HB   ASP   8          2HB       ASP   8  -7.315  -6.737   4.414
   63   2HB   ASP   8          1HB       ASP   8  -7.491  -5.629   5.765
   64    H    LEU   9           H        LEU   9  -5.751  -2.337   3.790
   65    HA   LEU   9           HA       LEU   9  -7.412  -1.301   5.870
   66   1HB   LEU   9          2HB       LEU   9  -4.831  -1.672   6.229
   67   2HB   LEU   9          1HB       LEU   9  -4.640  -0.441   5.016
   68    HG   LEU   9           HG       LEU   9  -4.286   0.434   7.255
   69   1HD1  LEU   9          1HD1      LEU   9  -5.777   2.339   7.250
   70   2HD1  LEU   9          2HD1      LEU   9  -6.799   1.542   6.057
   71   3HD1  LEU   9          3HD1      LEU   9  -5.142   1.990   5.645
   72   1HD2  LEU   9          1HD2      LEU   9  -7.122  -0.395   7.799
   73   2HD2  LEU   9          2HD2      LEU   9  -6.123   0.588   8.868
   74   3HD2  LEU   9          3HD2      LEU   9  -5.664  -1.081   8.516
   75    HA   PRO  10           HA       PRO  10  -9.031   0.714   2.272
   76   1HB   PRO  10          2HB       PRO  10  -9.115   3.128   3.740
   77   2HB   PRO  10          1HB       PRO  10 -10.456   2.046   3.383
   78   1HG   PRO  10          2HG       PRO  10  -8.852   2.314   5.848
   79   2HG   PRO  10          1HG       PRO  10 -10.507   1.713   5.645
   80   1HD   PRO  10          2HD       PRO  10  -8.477   0.079   6.189
   81   2HD   PRO  10          1HD       PRO  10  -9.796  -0.414   5.101
   82    H    ALA  11           H        ALA  11  -8.221   1.813   0.903
   83    HA   ALA  11           HA       ALA  11  -5.616   3.243   0.910
   84   1HB   ALA  11          1HB       ALA  11  -7.654   2.577  -1.233
   85   2HB   ALA  11          2HB       ALA  11  -6.131   1.733  -0.980
   86   3HB   ALA  11          3HB       ALA  11  -6.129   3.414  -1.516
   87    H    ASP  12           H        ASP  12  -5.901   5.039   1.846
   88    HA   ASP  12           HA       ASP  12  -8.296   6.463   1.081
   89   1HB   ASP  12          2HB       ASP  12  -8.167   6.087   3.586
   90   2HB   ASP  12          1HB       ASP  12  -6.728   7.112   3.597
   91    H    SER  13           H        SER  13  -7.947   8.754   0.414
   92    HA   SER  13           HA       SER  13  -5.287   8.994  -0.854
   93   1HB   SER  13          2HB       SER  13  -7.887  10.470  -1.297
   94   2HB   SER  13          1HB       SER  13  -6.417  10.590  -2.276
   95    HG   SER  13           HG       SER  13  -6.751   8.165  -2.339
   96    H    GLY  14           H        GLY  14  -7.025  10.313   1.727
   97   1HA   GLY  14          2HA       GLY  14  -5.884  11.435   3.372
   98   2HA   GLY  14          1HA       GLY  14  -4.604  11.786   2.221
   99    H    SER  15           H        SER  15  -5.124  13.794   3.626
  100    HA   SER  15           HA       SER  15  -7.232  15.301   2.289
  101   1HB   SER  15          2HB       SER  15  -6.329  15.522   5.149
  102   2HB   SER  15          1HB       SER  15  -7.649  16.408   4.385
  103    HG   SER  15           HG       SER  15  -8.281  13.982   3.879
  104    H    GLY  16           H        GLY  16  -4.179  15.060   1.766
  105   1HA   GLY  16          2HA       GLY  16  -3.106  17.347   3.084
  106   2HA   GLY  16          1HA       GLY  16  -2.263  16.151   2.129
  107    H    THR  17           H        THR  17  -1.629  18.547   1.965
  108    HA   THR  17           HA       THR  17  -2.703  19.741  -0.560
  109    HB   THR  17           HB       THR  17  -2.480  21.196   1.484
  110    HG1  THR  17           1HG      THR  17  -1.845  21.693  -0.994
  111   1HG2  THR  17          1HG2      THR  17   0.479  20.751   1.030
  112   2HG2  THR  17          2HG2      THR  17  -0.444  20.217   2.437
  113   3HG2  THR  17          3HG2      THR  17  -0.214  21.937   2.138
  114    H    LYS  18           H        LYS  18  -0.284  17.522   0.141
  115    HA   LYS  18           HA       LYS  18   1.830  18.558  -1.688
  116   1HB   LYS  18          2HB       LYS  18   2.164  18.115   0.840
  117   2HB   LYS  18          1HB       LYS  18   1.694  16.470   0.477
  118   1HG   LYS  18          2HG       LYS  18   4.030  16.473   0.556
  119   2HG   LYS  18          1HG       LYS  18   3.636  16.432  -1.163
  120   1HD   LYS  18          2HD       LYS  18   5.451  18.017  -0.698
  121   2HD   LYS  18          1HD       LYS  18   4.018  18.851  -1.303
  122   1HE   LYS  18          2HE       LYS  18   5.072  20.043   0.602
  123   2HE   LYS  18          1HE       LYS  18   3.418  19.546   0.946
  124   1HZ   LYS  18          1HZ       LYS  18   4.264  17.691   2.239
  125   2HZ   LYS  18          2HZ       LYS  18   4.943  19.087   2.836
  126   3HZ   LYS  18          3HZ       LYS  18   5.837  18.058   1.822
  127    H    ALA  19           H        ALA  19   2.699  17.002  -2.975
  128    HA   ALA  19           HA       ALA  19   0.966  14.676  -3.628
  129   1HB   ALA  19          1HB       ALA  19   1.053  16.391  -5.439
  130   2HB   ALA  19          2HB       ALA  19   1.801  14.865  -5.909
  131   3HB   ALA  19          3HB       ALA  19   2.809  16.240  -5.451
  132    H    GLU  20           H        GLU  20   1.792  12.801  -3.117
  133    HA   GLU  20           HA       GLU  20   4.633  12.535  -3.316
  134   1HB   GLU  20          2HB       GLU  20   4.160  13.213  -1.033
  135   2HB   GLU  20          1HB       GLU  20   3.057  11.863  -0.839
  136   1HG   GLU  20          2HG       GLU  20   4.884  10.302  -1.043
  137   2HG   GLU  20          1HG       GLU  20   6.010  11.632  -1.337
  138    H    LYS  21           H        LYS  21   5.218  10.461  -3.867
  139    HA   LYS  21           HA       LYS  21   3.116   8.636  -4.916
  140   1HB   LYS  21          2HB       LYS  21   4.932   9.566  -6.388
  141   2HB   LYS  21          1HB       LYS  21   6.115   8.887  -5.299
  142   1HG   LYS  21          2HG       LYS  21   4.142   7.226  -6.876
  143   2HG   LYS  21          1HG       LYS  21   5.735   7.668  -7.475
  144   1HD   LYS  21          2HD       LYS  21   6.683   6.530  -5.417
  145   2HD   LYS  21          1HD       LYS  21   5.055   5.919  -5.115
  146   1HE   LYS  21          2HE       LYS  21   6.259   4.223  -6.275
  147   2HE   LYS  21          1HE       LYS  21   5.109   4.914  -7.416
  148   1HZ   LYS  21          1HZ       LYS  21   8.004   5.485  -7.234
  149   2HZ   LYS  21          2HZ       LYS  21   6.965   6.314  -8.283
  150   3HZ   LYS  21          3HZ       LYS  21   7.225   4.664  -8.485
  151    H    ARG  22           H        ARG  22   2.345   7.202  -3.387
  152    HA   ARG  22           HA       ARG  22   4.445   5.809  -2.023
  153   1HB   ARG  22          2HB       ARG  22   1.624   6.519  -1.382
  154   2HB   ARG  22          1HB       ARG  22   2.597   5.396  -0.456
  155   1HG   ARG  22          2HG       ARG  22   3.331   8.264  -0.933
  156   2HG   ARG  22          1HG       ARG  22   2.435   7.686   0.473
  157   1HD   ARG  22          2HD       ARG  22   4.349   6.092   0.859
  158   2HD   ARG  22          1HD       ARG  22   5.241   7.022  -0.349
  159    HE   ARG  22           HE       ARG  22   4.751   8.997   1.138
  160   1HH1  ARG  22          1HH1      ARG  22   4.968   5.751   2.449
  161   2HH1  ARG  22          2HH1      ARG  22   5.538   6.241   3.978
  162   1HH2  ARG  22          1HH2      ARG  22   5.390   9.702   3.123
  163   2HH2  ARG  22          2HH2      ARG  22   5.814   8.645   4.403
  164    H    ILE  23           H        ILE  23   3.369   3.458  -1.337
  165    HA   ILE  23           HA       ILE  23   1.599   2.639  -3.531
  166    HB   ILE  23           HB       ILE  23   3.963   2.049  -4.195
  167   1HG1  ILE  23          2HG1      ILE  23   2.382  -0.447  -3.574
  168   2HG1  ILE  23          1HG1      ILE  23   2.036   0.631  -4.921
  169   1HG2  ILE  23          1HG2      ILE  23   5.161   0.287  -3.041
  170   2HG2  ILE  23          2HG2      ILE  23   3.892   0.184  -1.848
  171   3HG2  ILE  23          3HG2      ILE  23   4.897   1.651  -1.935
  172   1HD1  ILE  23          1HD1      ILE  23   4.247   0.181  -5.852
  173   2HD1  ILE  23          2HD1      ILE  23   3.321  -1.306  -5.633
  174   3HD1  ILE  23          3HD1      ILE  23   4.604  -0.890  -4.497
  175    H    TYR  24           H        TYR  24   0.138   0.922  -2.966
  176    HA   TYR  24           HA       TYR  24   0.415  -0.056  -0.210
  177   1HB   TYR  24          2HB       TYR  24  -1.939   0.276   0.276
  178   2HB   TYR  24          1HB       TYR  24  -1.263   1.816  -0.206
  179    HD1  TYR  24           1HD      TYR  24  -3.517  -0.920  -1.157
  180    HD2  TYR  24           2HD      TYR  24  -2.135   2.945  -2.187
  181    HE1  TYR  24           1HE      TYR  24  -5.406  -0.681  -2.693
  182    HE2  TYR  24           2HE      TYR  24  -4.037   3.189  -3.748
  183    HH   TYR  24           HH       TYR  24  -5.599   1.907  -4.957
  184    H    TYR  25           H        TYR  25  -1.162  -2.092   0.126
  185    HA   TYR  25           HA       TYR  25  -0.824  -3.701  -2.060
  186   1HB   TYR  25          2HB       TYR  25  -0.504  -4.527   0.092
  187   2HB   TYR  25          1HB       TYR  25  -2.099  -4.008   0.624
  188    HD1  TYR  25           1HD      TYR  25  -0.439  -6.352  -1.781
  189    HD2  TYR  25           2HD      TYR  25  -3.863  -5.510   0.586
  190    HE1  TYR  25           1HE      TYR  25  -1.339  -8.593  -2.271
  191    HE2  TYR  25           2HE      TYR  25  -4.764  -7.729   0.103
  192    HH   TYR  25           HH       TYR  25  -2.897 -10.177  -1.207
  193    H    ASN  26           H        ASN  26  -2.499  -3.488  -3.767
  194    HA   ASN  26           HA       ASN  26  -5.247  -2.883  -2.989
  195   1HB   ASN  26          2HB       ASN  26  -4.284  -2.234  -5.256
  196   2HB   ASN  26          1HB       ASN  26  -4.270  -3.957  -5.638
  197   1HD2  ASN  26          1HD2      ASN  26  -6.249  -1.165  -5.091
  198   2HD2  ASN  26          2HD2      ASN  26  -7.735  -1.853  -5.594
  199    H    SER  27           H        SER  27  -6.590  -4.098  -2.405
  200    HA   SER  27           HA       SER  27  -5.747  -6.651  -1.783
  201   1HB   SER  27          2HB       SER  27  -8.456  -5.471  -1.179
  202   2HB   SER  27          1HB       SER  27  -7.943  -7.042  -0.576
  203    HG   SER  27           HG       SER  27  -6.133  -4.994  -0.122
  204    H    ALA  28           H        ALA  28  -8.132  -5.519  -4.045
  205    HA   ALA  28           HA       ALA  28  -9.405  -8.018  -4.599
  206   1HB   ALA  28          1HB       ALA  28  -9.362  -5.438  -6.152
  207   2HB   ALA  28          2HB       ALA  28 -10.552  -5.910  -4.941
  208   3HB   ALA  28          3HB       ALA  28 -10.442  -6.797  -6.458
  209    H    ARG  29           H        ARG  29  -6.973  -6.016  -6.010
  210    HA   ARG  29           HA       ARG  29  -6.509  -7.868  -8.193
  211   1HB   ARG  29          2HB       ARG  29  -5.159  -5.226  -7.608
  212   2HB   ARG  29          1HB       ARG  29  -4.536  -6.308  -8.842
  213   1HG   ARG  29          2HG       ARG  29  -5.903  -4.681  -9.933
  214   2HG   ARG  29          1HG       ARG  29  -6.770  -6.210  -9.965
  215   1HD   ARG  29          2HD       ARG  29  -8.019  -5.404  -7.922
  216   2HD   ARG  29          1HD       ARG  29  -7.283  -3.829  -8.189
  217    HE   ARG  29           HE       ARG  29  -8.670  -4.914 -10.463
  218   1HH1  ARG  29          1HH1      ARG  29  -8.921  -2.770  -7.645
  219   2HH1  ARG  29          2HH1      ARG  29 -10.411  -2.094  -8.122
  220   1HH2  ARG  29          1HH2      ARG  29 -10.685  -3.998 -11.083
  221   2HH2  ARG  29          2HH2      ARG  29 -11.457  -2.806 -10.153
  222    H    LYS  30           H        LYS  30  -5.595  -7.719  -5.129
  223    HA   LYS  30           HA       LYS  30  -3.939  -8.516  -3.734
  224   1HB   LYS  30          2HB       LYS  30  -5.110 -10.560  -4.563
  225   2HB   LYS  30          1HB       LYS  30  -3.938 -10.697  -5.858
  226   1HG   LYS  30          2HG       LYS  30  -2.191 -11.229  -4.284
  227   2HG   LYS  30          1HG       LYS  30  -3.267 -10.904  -2.922
  228   1HD   LYS  30          2HD       LYS  30  -4.717 -12.746  -3.662
  229   2HD   LYS  30          1HD       LYS  30  -3.594 -13.080  -4.981
  230   1HE   LYS  30          2HE       LYS  30  -1.836 -13.594  -3.383
  231   2HE   LYS  30          1HE       LYS  30  -2.909 -13.190  -2.045
  232   1HZ   LYS  30          1HZ       LYS  30  -2.760 -15.602  -2.437
  233   2HZ   LYS  30          2HZ       LYS  30  -3.422 -15.382  -3.993
  234   3HZ   LYS  30          3HZ       LYS  30  -4.326 -15.006  -2.626
  235    H    GLN  31           H        GLN  31  -3.118  -6.879  -5.320
  236    HA   GLN  31           HA       GLN  31  -0.060  -7.058  -5.644
  237   1HB   GLN  31          2HB       GLN  31   0.035  -6.358  -7.875
  238   2HB   GLN  31          1HB       GLN  31  -1.089  -7.704  -7.837
  239   1HG   GLN  31          2HG       GLN  31  -2.949  -6.048  -7.857
  240   2HG   GLN  31          1HG       GLN  31  -1.740  -4.784  -8.078
  241   1HE2  GLN  31          1HE2      GLN  31  -0.519  -4.772 -10.024
  242   2HE2  GLN  31          2HE2      GLN  31  -1.146  -5.556 -11.437
  243    H    CYS  32           H        CYS  32   1.310  -5.243  -5.445
  244    HA   CYS  32           HA       CYS  32   0.127  -3.315  -3.891
  245   1HB   CYS  32          2HB       CYS  32   2.780  -3.678  -5.227
  246   2HB   CYS  32          1HB       CYS  32   2.387  -2.414  -4.086
  247    H    LEU  33           H        LEU  33  -0.383  -1.225  -4.665
  248    HA   LEU  33           HA       LEU  33   0.656  -0.294  -7.204
  249   1HB   LEU  33          2HB       LEU  33  -1.539   0.323  -8.100
  250   2HB   LEU  33          1HB       LEU  33  -1.321  -1.403  -8.040
  251    HG   LEU  33           HG       LEU  33  -2.809  -1.385  -5.981
  252   1HD1  LEU  33          1HD1      LEU  33  -4.276   0.523  -5.687
  253   2HD1  LEU  33          2HD1      LEU  33  -3.411   1.411  -6.936
  254   3HD1  LEU  33          3HD1      LEU  33  -2.607   0.990  -5.427
  255   1HD2  LEU  33          1HD2      LEU  33  -3.572  -2.112  -8.154
  256   2HD2  LEU  33          2HD2      LEU  33  -3.913  -0.444  -8.613
  257   3HD2  LEU  33          3HD2      LEU  33  -4.840  -1.211  -7.323
  258    H    ARG  34           H        ARG  34   0.696   1.616  -7.585
  259    HA   ARG  34           HA       ARG  34   1.278   3.210  -5.289
  260   1HB   ARG  34          2HB       ARG  34   2.671   3.081  -7.313
  261   2HB   ARG  34          1HB       ARG  34   1.372   3.758  -8.257
  262   1HG   ARG  34          2HG       ARG  34   2.623   5.288  -5.985
  263   2HG   ARG  34          1HG       ARG  34   3.343   5.253  -7.587
  264   1HD   ARG  34          2HD       ARG  34   0.583   6.231  -6.889
  265   2HD   ARG  34          1HD       ARG  34   1.968   7.237  -7.266
  266    HE   ARG  34           HE       ARG  34   1.962   6.016  -9.486
  267   1HH1  ARG  34          1HH1      ARG  34  -0.953   6.647  -7.648
  268   2HH1  ARG  34          2HH1      ARG  34  -2.026   6.671  -8.956
  269   1HH2  ARG  34          1HH2      ARG  34   0.555   6.123 -11.365
  270   2HH2  ARG  34          2HH2      ARG  34  -1.136   6.320 -11.171
  271    H    PHE  35           H        PHE  35   0.352   4.965  -4.702
  272    HA   PHE  35           HA       PHE  35  -2.025   5.379  -5.948
  273   1HB   PHE  35          2HB       PHE  35  -3.364   5.994  -3.817
  274   2HB   PHE  35          1HB       PHE  35  -2.749   4.373  -4.022
  275    HD1  PHE  35           1HD      PHE  35  -0.379   3.965  -2.788
  276    HD2  PHE  35           2HD      PHE  35  -3.196   6.986  -1.782
  277    HE1  PHE  35           1HE      PHE  35   0.499   4.022  -0.496
  278    HE2  PHE  35           2HE      PHE  35  -2.310   7.058   0.501
  279    HZ   PHE  35           HZ       PHE  35  -0.461   5.570   1.152
  280    H    ASP  36           H        ASP  36  -2.847   8.143  -5.119
  281    HA   ASP  36           HA       ASP  36  -0.352   9.439  -4.888
  282   1HB   ASP  36          2HB       ASP  36  -2.873  10.148  -6.230
  283   2HB   ASP  36          1HB       ASP  36  -2.103  11.484  -5.379
  284    H    TYR  37           H        TYR  37  -0.027   9.224  -2.832
  285    HA   TYR  37           HA       TYR  37  -1.886   9.965  -0.756
  286   1HB   TYR  37          2HB       TYR  37  -0.161   8.185  -0.614
  287   2HB   TYR  37          1HB       TYR  37   1.082   9.374  -0.855
  288    HD1  TYR  37           1HD      TYR  37  -1.813   8.822   1.495
  289    HD2  TYR  37           2HD      TYR  37   2.247  10.008   1.051
  290    HE1  TYR  37           1HE      TYR  37  -1.616   9.045   3.940
  291    HE2  TYR  37           2HE      TYR  37   2.449  10.245   3.483
  292    HH   TYR  37           HH       TYR  37   1.154  10.511   5.432
  293    H    THR  38           H        THR  38  -2.077  12.115   0.117
  294    HA   THR  38           HA       THR  38  -0.625  13.954  -1.439
  295    HB   THR  38           HB       THR  38  -2.475  15.467  -0.493
  296    HG1  THR  38           1HG      THR  38  -3.955  13.163  -0.012
  297   1HG2  THR  38          1HG2      THR  38  -2.534  14.506  -2.760
  298   2HG2  THR  38          2HG2      THR  38  -4.144  14.514  -2.039
  299   3HG2  THR  38          3HG2      THR  38  -3.211  13.016  -2.109
  300    H    GLY  39           H        GLY  39   0.701  12.734   0.692
  301   1HA   GLY  39          2HA       GLY  39   2.086  13.148   2.429
  302   2HA   GLY  39          1HA       GLY  39   1.818  14.828   2.059
  303    H    GLN  40           H        GLN  40  -1.274  14.347   3.068
  304    HA   GLN  40           HA       GLN  40  -0.396  14.146   5.756
  305   1HB   GLN  40          2HB       GLN  40  -0.398  16.515   5.254
  306   2HB   GLN  40          1HB       GLN  40  -2.052  16.419   4.662
  307   1HG   GLN  40          2HG       GLN  40  -2.820  15.826   6.892
  308   2HG   GLN  40          1HG       GLN  40  -1.165  15.903   7.488
  309   1HE2  GLN  40          1HE2      GLN  40  -3.559  17.355   8.195
  310   2HE2  GLN  40          2HE2      GLN  40  -3.197  19.039   8.061
  311    H    GLY  41           H        GLY  41  -2.094  12.922   6.985
  312   1HA   GLY  41          2HA       GLY  41  -4.324  12.653   7.522
  313   2HA   GLY  41          1HA       GLY  41  -4.755  13.521   6.068
  314    H    GLY  42           H        GLY  42  -2.883  10.478   6.419
  315   1HA   GLY  42          2HA       GLY  42  -4.727   9.485   4.367
  316   2HA   GLY  42          1HA       GLY  42  -3.048   9.012   4.533
  317    H    ASN  43           H        ASN  43  -3.453   6.899   4.518
  318    HA   ASN  43           HA       ASN  43  -5.015   5.547   6.605
  319   1HB   ASN  43          2HB       ASN  43  -5.270   3.877   4.873
  320   2HB   ASN  43          1HB       ASN  43  -5.906   5.379   4.226
  321   1HD2  ASN  43          1HD2      ASN  43  -4.890   3.022   2.836
  322   2HD2  ASN  43          2HD2      ASN  43  -3.536   3.557   1.876
  323    H    GLU  44           H        GLU  44  -4.021   3.655   7.248
  324    HA   GLU  44           HA       GLU  44  -1.262   3.996   7.760
  325   1HB   GLU  44          2HB       GLU  44  -3.191   1.781   8.379
  326   2HB   GLU  44          1HB       GLU  44  -1.586   1.995   9.074
  327   1HG   GLU  44          2HG       GLU  44  -3.918   3.866   9.385
  328   2HG   GLU  44          1HG       GLU  44  -3.274   2.771  10.608
  329    H    ASN  45           H        ASN  45  -3.112   2.272   5.389
  330    HA   ASN  45           HA       ASN  45  -0.975   0.435   4.622
  331   1HB   ASN  45          2HB       ASN  45  -3.421  -0.172   4.369
  332   2HB   ASN  45          1HB       ASN  45  -3.626   1.206   3.312
  333   1HD2  ASN  45          1HD2      ASN  45  -4.518  -0.357   1.887
  334   2HD2  ASN  45          2HD2      ASN  45  -3.504  -1.324   0.879
  335    H    ASN  46           H        ASN  46   0.593   1.837   4.506
  336    HA   ASN  46           HA       ASN  46   0.712   3.463   2.110
  337   1HB   ASN  46          2HB       ASN  46  -0.024   4.963   3.881
  338   2HB   ASN  46          1HB       ASN  46   1.268   4.396   4.932
  339   1HD2  ASN  46          1HD2      ASN  46   2.044   6.471   5.182
  340   2HD2  ASN  46          2HD2      ASN  46   2.890   7.305   3.924
  341    H    PHE  47           H        PHE  47   2.505   2.699   1.086
  342    HA   PHE  47           HA       PHE  47   4.788   2.106   2.781
  343   1HB   PHE  47          2HB       PHE  47   4.023   0.679   0.216
  344   2HB   PHE  47          1HB       PHE  47   5.457   0.333   1.184
  345    HD1  PHE  47           1HD      PHE  47   2.049  -0.467   0.636
  346    HD2  PHE  47           2HD      PHE  47   5.034  -0.295   3.659
  347    HE1  PHE  47           1HE      PHE  47   0.707  -1.968   2.039
  348    HE2  PHE  47           2HE      PHE  47   3.699  -1.801   5.062
  349    HZ   PHE  47           HZ       PHE  47   1.529  -2.637   4.253
  350    H    ARG  48           H        ARG  48   6.807   2.774   1.860
  351    HA   ARG  48           HA       ARG  48   6.635   4.881  -0.236
  352   1HB   ARG  48          2HB       ARG  48   7.659   5.408   1.998
  353   2HB   ARG  48          1HB       ARG  48   8.883   4.195   1.662
  354   1HG   ARG  48          2HG       ARG  48   9.981   6.114   1.018
  355   2HG   ARG  48          1HG       ARG  48   9.272   5.610  -0.513
  356   1HD   ARG  48          2HD       ARG  48   8.867   7.975  -0.308
  357   2HD   ARG  48          1HD       ARG  48   7.336   7.195   0.011
  358    HE   ARG  48           HE       ARG  48   8.116   7.339   2.454
  359   1HH1  ARG  48          1HH1      ARG  48   8.643   9.853  -0.014
  360   2HH1  ARG  48          2HH1      ARG  48   8.766  11.103   1.150
  361   1HH2  ARG  48          1HH2      ARG  48   8.311   9.030   3.966
  362   2HH2  ARG  48          2HH2      ARG  48   8.648  10.626   3.478
  363    H    ARG  49           H        ARG  49   7.504   1.508   0.124
  364    HA   ARG  49           HA       ARG  49   9.117   1.787  -2.213
  365   1HB   ARG  49          2HB       ARG  49  10.549   1.872  -0.210
  366   2HB   ARG  49          1HB       ARG  49   9.872   0.358   0.342
  367   1HG   ARG  49          2HG       ARG  49  10.834  -0.737  -1.657
  368   2HG   ARG  49          1HG       ARG  49  11.609   0.797  -2.067
  369   1HD   ARG  49          2HD       ARG  49  12.015  -0.795   0.461
  370   2HD   ARG  49          1HD       ARG  49  13.153  -0.653  -0.875
  371    HE   ARG  49           HE       ARG  49  13.357   1.727  -0.297
  372   1HH1  ARG  49          1HH1      ARG  49  11.727  -0.230   2.171
  373   2HH1  ARG  49          2HH1      ARG  49  12.497   0.489   3.494
  374   1HH2  ARG  49          1HH2      ARG  49  14.400   2.815   1.585
  375   2HH2  ARG  49          2HH2      ARG  49  14.015   2.229   3.150
  376    H    THR  50           H        THR  50   9.111  -0.229  -3.388
  377    HA   THR  50           HA       THR  50   6.650  -1.624  -3.271
  378    HB   THR  50           HB       THR  50   9.028  -2.197  -5.058
  379    HG1  THR  50           1HG      THR  50   8.452   0.000  -5.167
  380   1HG2  THR  50          1HG2      THR  50   6.047  -2.605  -5.449
  381   2HG2  THR  50          2HG2      THR  50   7.228  -3.883  -5.143
  382   3HG2  THR  50          3HG2      THR  50   7.303  -2.950  -6.640
  383    H    TYR  51           H        TYR  51   9.971  -2.533  -2.461
  384    HA   TYR  51           HA       TYR  51   9.519  -5.271  -2.078
  385   1HB   TYR  51          2HB       TYR  51  11.780  -4.403  -2.138
  386   2HB   TYR  51          1HB       TYR  51  11.484  -3.401  -0.725
  387    HD1  TYR  51           1HD      TYR  51  11.499  -6.967  -1.783
  388    HD2  TYR  51           2HD      TYR  51  12.224  -4.167   1.324
  389    HE1  TYR  51           1HE      TYR  51  12.397  -8.762  -0.385
  390    HE2  TYR  51           2HE      TYR  51  13.126  -5.963   2.736
  391    HH   TYR  51           HH       TYR  51  13.867  -9.061   1.487
  392    H    ASP  52           H        ASP  52   9.287  -2.498   0.020
  393    HA   ASP  52           HA       ASP  52   8.616  -3.849   2.411
  394   1HB   ASP  52          2HB       ASP  52   7.880  -1.083   1.491
  395   2HB   ASP  52          1HB       ASP  52   7.473  -1.700   3.088
  396    H    CYS  53           H        CYS  53   6.409  -2.584  -0.048
  397    HA   CYS  53           HA       CYS  53   4.090  -3.475   1.309
  398   1HB   CYS  53          2HB       CYS  53   2.862  -3.112  -0.648
  399   2HB   CYS  53          1HB       CYS  53   4.128  -1.904  -0.643
  400    H    GLN  54           H        GLN  54   5.828  -4.780  -1.111
  401    HA   GLN  54           HA       GLN  54   4.741  -7.316  -1.591
  402   1HB   GLN  54          2HB       GLN  54   6.342  -6.507  -3.182
  403   2HB   GLN  54          1HB       GLN  54   7.664  -6.722  -2.038
  404   1HG   GLN  54          2HG       GLN  54   7.428  -9.100  -2.139
  405   2HG   GLN  54          1HG       GLN  54   5.969  -8.955  -3.113
  406   1HE2  GLN  54          1HE2      GLN  54   8.806  -6.939  -3.672
  407   2HE2  GLN  54          2HE2      GLN  54   9.226  -7.698  -5.161
  408    H    ARG  55           H        ARG  55   7.354  -6.704   0.504
  409    HA   ARG  55           HA       ARG  55   7.653  -9.366   1.637
  410   1HB   ARG  55          2HB       ARG  55   9.430  -7.630   1.797
  411   2HB   ARG  55          1HB       ARG  55   8.348  -6.630   2.747
  412   1HG   ARG  55          2HG       ARG  55   8.367  -8.343   4.511
  413   2HG   ARG  55          1HG       ARG  55   9.525  -9.272   3.549
  414   1HD   ARG  55          2HD       ARG  55  11.082  -7.406   3.591
  415   2HD   ARG  55          1HD       ARG  55   9.938  -6.449   4.512
  416    HE   ARG  55           HE       ARG  55  10.666  -8.964   5.720
  417   1HH1  ARG  55          1HH1      ARG  55  11.252  -5.477   5.605
  418   2HH1  ARG  55          2HH1      ARG  55  12.170  -5.434   7.040
  419   1HH2  ARG  55          1HH2      ARG  55  11.986  -8.916   7.700
  420   2HH2  ARG  55          2HH2      ARG  55  12.605  -7.415   8.218
  421    H    THR  56           H        THR  56   5.740  -6.414   2.794
  422    HA   THR  56           HA       THR  56   4.944  -8.082   4.817
  423    HB   THR  56           HB       THR  56   5.133  -5.710   5.243
  424    HG1  THR  56           1HG      THR  56   2.367  -6.215   5.539
  425   1HG2  THR  56          1HG2      THR  56   2.730  -5.380   3.450
  426   2HG2  THR  56          2HG2      THR  56   4.369  -4.830   3.102
  427   3HG2  THR  56          3HG2      THR  56   3.462  -4.115   4.432
  428    H    CYS  57           H        CYS  57   3.151  -7.144   1.821
  429    HA   CYS  57           HA       CYS  57   0.746  -8.503   2.774
  430   1HB   CYS  57          2HB       CYS  57   1.066  -6.518   0.520
  431   2HB   CYS  57          1HB       CYS  57  -0.414  -7.281   1.051
  432    H    LEU  58           H        LEU  58   2.999  -9.855   1.188
  433    HA   LEU  58           HA       LEU  58   1.543 -10.376  -1.218
  434   1HB   LEU  58          2HB       LEU  58   2.949  -8.399  -1.957
  435   2HB   LEU  58          1HB       LEU  58   4.374  -9.322  -1.587
  436    HG   LEU  58           HG       LEU  58   3.917  -9.088  -3.994
  437   1HD1  LEU  58          1HD1      LEU  58   3.827 -11.934  -3.049
  438   2HD1  LEU  58          2HD1      LEU  58   5.266 -10.948  -3.304
  439   3HD1  LEU  58          3HD1      LEU  58   4.256 -11.400  -4.675
  440   1HD2  LEU  58          1HD2      LEU  58   2.098 -10.365  -5.033
  441   2HD2  LEU  58          2HD2      LEU  58   1.512  -9.080  -3.977
  442   3HD2  LEU  58          3HD2      LEU  58   1.483 -10.759  -3.427
  443    H    TYR  59           H        TYR  59   4.346 -10.896   0.705
  444    HA   TYR  59           HA       TYR  59   4.275 -13.716   0.000
  445   1HB   TYR  59          2HB       TYR  59   6.202 -12.162   1.741
  446   2HB   TYR  59          1HB       TYR  59   6.293 -13.894   1.449
  447    HD1  TYR  59           1HD      TYR  59   7.717 -10.906   0.576
  448    HD2  TYR  59           2HD      TYR  59   6.125 -14.407  -1.244
  449    HE1  TYR  59           1HE      TYR  59   9.091 -10.490  -1.424
  450    HE2  TYR  59           2HE      TYR  59   7.492 -13.998  -3.247
  451    HH   TYR  59           HH       TYR  59  10.035 -11.813  -3.246
  452    H    THR  60           H        THR  60   2.409 -14.544   0.971
  453    HA   THR  60           HA       THR  60   2.370 -14.151   3.783
  454    HB   THR  60           HB       THR  60   0.493 -12.905   2.935
  455    HG1  THR  60           1HG      THR  60   0.163 -14.781   4.612
  456   1HG2  THR  60          1HG2      THR  60  -1.260 -13.857   1.473
  457   2HG2  THR  60          2HG2      THR  60  -0.313 -15.337   1.325
  458   3HG2  THR  60          3HG2      THR  60   0.314 -13.823   0.675
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1  -3.450 -16.275  10.471
    2   2H    LYS   1          2HT       LYS   1  -3.871 -17.189   9.117
    3   3H    LYS   1          3HT       LYS   1  -5.071 -16.436  10.011
    4    HA   LYS   1           HA       LYS   1  -4.296 -14.278   9.397
    5   1HB   LYS   1          2HB       LYS   1  -2.097 -15.816   8.117
    6   2HB   LYS   1          1HB       LYS   1  -2.623 -14.284   7.422
    7   1HG   LYS   1          2HG       LYS   1  -1.627 -14.734  10.233
    8   2HG   LYS   1          1HG       LYS   1  -0.784 -13.885   8.928
    9   1HD   LYS   1          2HD       LYS   1  -2.587 -12.222   8.844
   10   2HD   LYS   1          1HD       LYS   1  -3.426 -13.062  10.147
   11   1HE   LYS   1          2HE       LYS   1  -1.452 -12.627  11.600
   12   2HE   LYS   1          1HE       LYS   1  -0.758 -11.669  10.291
   13   1HZ   LYS   1          1HZ       LYS   1  -2.747 -10.227  10.405
   14   2HZ   LYS   1          2HZ       LYS   1  -1.887 -10.222  11.845
   15   3HZ   LYS   1          3HZ       LYS   1  -3.315 -11.113  11.709
   16    H    ASP   2           H        ASP   2  -5.891 -13.661   8.514
   17    HA   ASP   2           HA       ASP   2  -6.658 -14.562   5.818
   18   1HB   ASP   2          2HB       ASP   2  -8.291 -15.381   7.455
   19   2HB   ASP   2          1HB       ASP   2  -8.454 -13.760   8.119
   20    H    ARG   3           H        ARG   3  -5.840 -12.829   4.734
   21    HA   ARG   3           HA       ARG   3  -5.402 -10.802   3.987
   22   1HB   ARG   3          2HB       ARG   3  -7.571  -9.870   5.886
   23   2HB   ARG   3          1HB       ARG   3  -6.617  -8.731   4.954
   24   1HG   ARG   3          2HG       ARG   3  -8.530  -8.975   3.697
   25   2HG   ARG   3          1HG       ARG   3  -7.402 -10.079   2.917
   26   1HD   ARG   3          2HD       ARG   3  -9.552 -11.130   3.092
   27   2HD   ARG   3          1HD       ARG   3  -8.432 -11.936   4.190
   28    HE   ARG   3           HE       ARG   3  -9.717 -11.332   5.915
   29   1HH1  ARG   3          1HH1      ARG   3 -10.724  -9.338   3.124
   30   2HH1  ARG   3          2HH1      ARG   3 -11.909  -8.471   3.966
   31   1HH2  ARG   3          1HH2      ARG   3 -11.379 -10.131   7.084
   32   2HH2  ARG   3          2HH2      ARG   3 -12.314  -8.964   6.265
   33    HA   PRO   4           HA       PRO   4  -1.891  -9.952   6.262
   34   1HB   PRO   4          2HB       PRO   4  -2.056  -7.282   4.896
   35   2HB   PRO   4          1HB       PRO   4  -0.668  -8.375   5.044
   36   1HG   PRO   4          2HG       PRO   4  -2.031  -8.256   2.794
   37   2HG   PRO   4          1HG       PRO   4  -1.521  -9.837   3.437
   38   1HD   PRO   4          2HD       PRO   4  -4.223  -8.554   3.489
   39   2HD   PRO   4          1HD       PRO   4  -3.789 -10.254   3.236
   40    H    SER   5           H        SER   5  -1.249  -9.069   8.078
   41    HA   SER   5           HA       SER   5  -2.642  -7.844   9.843
   42   1HB   SER   5          2HB       SER   5   0.260  -7.189   9.430
   43   2HB   SER   5          1HB       SER   5  -0.609  -7.100  10.966
   44    HG   SER   5           HG       SER   5   0.378  -9.033  10.904
   45    H    LEU   6           H        LEU   6  -0.472  -6.201   7.587
   46    HA   LEU   6           HA       LEU   6  -1.874  -3.764   8.254
   47   1HB   LEU   6          2HB       LEU   6   0.141  -2.459   7.463
   48   2HB   LEU   6          1HB       LEU   6   0.243  -3.318   8.976
   49    HG   LEU   6           HG       LEU   6   1.537  -5.105   7.737
   50   1HD1  LEU   6          1HD1      LEU   6   0.869  -4.554   5.487
   51   2HD1  LEU   6          2HD1      LEU   6   2.622  -4.417   5.667
   52   3HD1  LEU   6          3HD1      LEU   6   1.619  -2.965   5.637
   53   1HD2  LEU   6          1HD2      LEU   6   2.581  -3.484   9.206
   54   2HD2  LEU   6          2HD2      LEU   6   2.680  -2.325   7.880
   55   3HD2  LEU   6          3HD2      LEU   6   3.612  -3.823   7.818
   56    H    CYS   7           H        CYS   7  -1.819  -5.863   5.913
   57    HA   CYS   7           HA       CYS   7  -2.793  -3.752   4.204
   58   1HB   CYS   7          2HB       CYS   7  -1.299  -6.147   3.127
   59   2HB   CYS   7          1HB       CYS   7  -2.326  -5.161   2.088
   60    H    ASP   8           H        ASP   8  -4.196  -5.060   6.021
   61    HA   ASP   8           HA       ASP   8  -6.637  -5.539   4.428
   62   1HB   ASP   8          2HB       ASP   8  -6.144  -6.996   6.457
   63   2HB   ASP   8          1HB       ASP   8  -6.174  -5.550   7.451
   64    H    LEU   9           H        LEU   9  -5.186  -3.136   4.266
   65    HA   LEU   9           HA       LEU   9  -5.421  -1.267   6.326
   66   1HB   LEU   9          2HB       LEU   9  -4.050   0.023   4.922
   67   2HB   LEU   9          1HB       LEU   9  -3.487  -1.625   4.758
   68    HG   LEU   9           HG       LEU   9  -5.367  -0.402   2.717
   69   1HD1  LEU   9          1HD1      LEU   9  -3.453   1.043   2.824
   70   2HD1  LEU   9          2HD1      LEU   9  -3.446   0.106   1.331
   71   3HD1  LEU   9          3HD1      LEU   9  -2.376  -0.340   2.661
   72   1HD2  LEU   9          1HD2      LEU   9  -4.421  -2.066   1.208
   73   2HD2  LEU   9          2HD2      LEU   9  -5.106  -2.839   2.637
   74   3HD2  LEU   9          3HD2      LEU   9  -3.361  -2.640   2.491
   75    HA   PRO  10           HA       PRO  10  -8.661   0.831   4.215
   76   1HB   PRO  10          2HB       PRO  10  -7.639   3.354   5.310
   77   2HB   PRO  10          1HB       PRO  10  -9.178   2.552   5.634
   78   1HG   PRO  10          2HG       PRO  10  -7.178   2.714   7.466
   79   2HG   PRO  10          1HG       PRO  10  -8.342   1.376   7.412
   80   1HD   PRO  10          2HD       PRO  10  -5.536   1.491   6.397
   81   2HD   PRO  10          1HD       PRO  10  -6.392   0.163   7.214
   82    H    ALA  11           H        ALA  11  -8.167   0.808   2.132
   83    HA   ALA  11           HA       ALA  11  -5.722   2.155   0.906
   84   1HB   ALA  11          1HB       ALA  11  -8.317   0.989  -0.280
   85   2HB   ALA  11          2HB       ALA  11  -6.743   0.192  -0.366
   86   3HB   ALA  11          3HB       ALA  11  -7.015   1.698  -1.237
   87    H    ASP  12           H        ASP  12  -5.700   3.908   1.721
   88    HA   ASP  12           HA       ASP  12  -7.870   5.789   1.138
   89   1HB   ASP  12          2HB       ASP  12  -8.056   5.296   3.537
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.699   3.753
   91    H    SER  13           H        SER  13  -7.582   7.706   0.410
   92    HA   SER  13           HA       SER  13  -4.895   8.093  -0.769
   93   1HB   SER  13          2HB       SER  13  -6.082   9.601  -2.261
   94   2HB   SER  13          1HB       SER  13  -6.805   7.991  -2.295
   95    HG   SER  13           HG       SER  13  -7.762  10.383  -1.404
   96    H    GLY  14           H        GLY  14  -6.798   9.471   1.708
   97   1HA   GLY  14          2HA       GLY  14  -5.796  10.853   3.301
   98   2HA   GLY  14          1HA       GLY  14  -4.539  11.234   2.141
   99    H    SER  15           H        SER  15  -5.401  13.269   3.529
  100    HA   SER  15           HA       SER  15  -7.590  14.619   2.081
  101   1HB   SER  15          2HB       SER  15  -6.825  14.841   4.994
  102   2HB   SER  15          1HB       SER  15  -8.144  15.679   4.185
  103    HG   SER  15           HG       SER  15  -8.646  13.274   3.593
  104    H    GLY  16           H        GLY  16  -4.545  14.635   1.710
  105   1HA   GLY  16          2HA       GLY  16  -3.637  16.989   3.079
  106   2HA   GLY  16          1HA       GLY  16  -2.688  15.877   2.123
  107    H    THR  17           H        THR  17  -2.107  18.175   1.897
  108    HA   THR  17           HA       THR  17  -3.303  19.550  -0.527
  109    HB   THR  17           HB       THR  17  -2.946  20.877   1.653
  110    HG1  THR  17           1HG      THR  17  -1.872  22.604   0.477
  111   1HG2  THR  17          1HG2      THR  17  -0.657  21.656   2.093
  112   2HG2  THR  17          2HG2      THR  17  -0.048  20.578   0.837
  113   3HG2  THR  17          3HG2      THR  17  -0.780  19.906   2.296
  114    H    LYS  18           H        LYS  18  -0.792  17.347   0.115
  115    HA   LYS  18           HA       LYS  18   1.211  18.402  -1.775
  116   1HB   LYS  18          2HB       LYS  18   1.809  17.923   0.612
  117   2HB   LYS  18          1HB       LYS  18   1.054  16.356   0.466
  118   1HG   LYS  18          2HG       LYS  18   2.764  15.818  -1.308
  119   2HG   LYS  18          1HG       LYS  18   3.569  17.327  -0.873
  120   1HD   LYS  18          2HD       LYS  18   3.883  16.559   1.394
  121   2HD   LYS  18          1HD       LYS  18   2.947  15.097   1.063
  122   1HE   LYS  18          2HE       LYS  18   4.644  14.449  -0.614
  123   2HE   LYS  18          1HE       LYS  18   5.589  15.868  -0.168
  124   1HZ   LYS  18          1HZ       LYS  18   5.943  14.986   2.011
  125   2HZ   LYS  18          2HZ       LYS  18   6.299  13.747   0.922
  126   3HZ   LYS  18          3HZ       LYS  18   4.856  13.725   1.776
  127    H    ALA  19           H        ALA  19   1.956  16.879  -3.172
  128    HA   ALA  19           HA       ALA  19   0.267  14.483  -3.669
  129   1HB   ALA  19          1HB       ALA  19   0.153  16.119  -5.525
  130   2HB   ALA  19          2HB       ALA  19   0.967  14.632  -6.001
  131   3HB   ALA  19          3HB       ALA  19   1.910  16.079  -5.641
  132    H    GLU  20           H        GLU  20   1.221  12.659  -3.289
  133    HA   GLU  20           HA       GLU  20   4.112  12.620  -3.313
  134   1HB   GLU  20          2HB       GLU  20   3.431  13.186  -1.066
  135   2HB   GLU  20          1HB       GLU  20   2.345  11.805  -1.017
  136   1HG   GLU  20          2HG       GLU  20   4.274  11.305   0.247
  137   2HG   GLU  20          1HG       GLU  20   4.305  10.334  -1.221
  138    H    LYS  21           H        LYS  21   4.860  10.665  -4.094
  139    HA   LYS  21           HA       LYS  21   2.896   8.733  -5.118
  140   1HB   LYS  21          2HB       LYS  21   4.540   9.905  -6.663
  141   2HB   LYS  21          1HB       LYS  21   5.835   9.284  -5.677
  142   1HG   LYS  21          2HG       LYS  21   3.923   7.479  -7.163
  143   2HG   LYS  21          1HG       LYS  21   5.360   8.153  -7.918
  144   1HD   LYS  21          2HD       LYS  21   6.712   7.054  -6.093
  145   2HD   LYS  21          1HD       LYS  21   5.226   6.265  -5.561
  146   1HE   LYS  21          2HE       LYS  21   6.504   4.762  -6.991
  147   2HE   LYS  21          1HE       LYS  21   5.001   5.228  -7.788
  148   1HZ   LYS  21          1HZ       LYS  21   7.669   6.427  -8.323
  149   2HZ   LYS  21          2HZ       LYS  21   6.245   6.836  -9.123
  150   3HZ   LYS  21          3HZ       LYS  21   6.902   5.311  -9.325
  151    H    ARG  22           H        ARG  22   2.327   7.312  -3.569
  152    HA   ARG  22           HA       ARG  22   4.637   6.182  -2.429
  153   1HB   ARG  22          2HB       ARG  22   1.881   6.604  -1.342
  154   2HB   ARG  22          1HB       ARG  22   3.086   5.611  -0.534
  155   1HG   ARG  22          2HG       ARG  22   3.488   8.506  -1.266
  156   2HG   ARG  22          1HG       ARG  22   2.928   7.942   0.309
  157   1HD   ARG  22          2HD       ARG  22   4.984   6.782   0.698
  158   2HD   ARG  22          1HD       ARG  22   5.526   7.079  -0.957
  159    HE   ARG  22           HE       ARG  22   5.661   9.414  -0.403
  160   1HH1  ARG  22          1HH1      ARG  22   5.380   7.307   2.453
  161   2HH1  ARG  22          2HH1      ARG  22   6.195   8.394   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.732  10.909   1.026
  163   2HH2  ARG  22          2HH2      ARG  22   7.021  10.482   2.629
  164    H    ILE  23           H        ILE  23   3.575   3.652  -1.508
  165    HA   ILE  23           HA       ILE  23   1.743   2.806  -3.597
  166    HB   ILE  23           HB       ILE  23   4.051   2.217  -4.399
  167   1HG1  ILE  23          2HG1      ILE  23   2.529  -0.257  -3.586
  168   2HG1  ILE  23          1HG1      ILE  23   2.126   0.756  -4.972
  169   1HG2  ILE  23          1HG2      ILE  23   4.191   0.518  -1.933
  170   2HG2  ILE  23          2HG2      ILE  23   5.210   1.928  -2.285
  171   3HG2  ILE  23          3HG2      ILE  23   5.325   0.457  -3.268
  172   1HD1  ILE  23          1HD1      ILE  23   3.368  -1.225  -5.650
  173   2HD1  ILE  23          2HD1      ILE  23   4.697  -0.765  -4.584
  174   3HD1  ILE  23          3HD1      ILE  23   4.290   0.246  -5.975
  175    H    TYR  24           H        TYR  24   0.376   1.064  -2.927
  176    HA   TYR  24           HA       TYR  24   0.910  -0.096  -0.382
  177   1HB   TYR  24          2HB       TYR  24  -1.339   0.313   0.563
  178   2HB   TYR  24          1HB       TYR  24  -0.448   1.792   0.351
  179    HD1  TYR  24           1HD      TYR  24  -2.540   2.978   0.733
  180    HD2  TYR  24           2HD      TYR  24  -2.149   0.382  -2.612
  181    HE1  TYR  24           1HE      TYR  24  -4.541   3.974  -0.261
  182    HE2  TYR  24           2HE      TYR  24  -4.155   1.386  -3.621
  183    HH   TYR  24           HH       TYR  24  -5.540   4.268  -2.547
  184    H    TYR  25           H        TYR  25  -1.012  -1.885   0.044
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.423  -2.175
  186   1HB   TYR  25          2HB       TYR  25  -0.365  -4.113   0.054
  187   2HB   TYR  25          1HB       TYR  25  -2.048  -3.814   0.431
  188    HD1  TYR  25           1HD      TYR  25   0.109  -5.844  -1.815
  189    HD2  TYR  25           2HD      TYR  25  -3.526  -5.600   0.372
  190    HE1  TYR  25           1HE      TYR  25  -0.312  -8.220  -2.258
  191    HE2  TYR  25           2HE      TYR  25  -3.962  -7.971  -0.078
  192    HH   TYR  25           HH       TYR  25  -1.557 -10.038  -1.273
  193    H    ASN  26           H        ASN  26  -2.368  -4.035  -3.620
  194    HA   ASN  26           HA       ASN  26  -5.126  -3.188  -3.062
  195   1HB   ASN  26          2HB       ASN  26  -4.168  -2.465  -5.257
  196   2HB   ASN  26          1HB       ASN  26  -3.858  -4.155  -5.643
  197   1HD2  ASN  26          1HD2      ASN  26  -6.293  -1.680  -5.313
  198   2HD2  ASN  26          2HD2      ASN  26  -7.561  -2.581  -6.041
  199    H    SER  27           H        SER  27  -6.425  -4.510  -2.590
  200    HA   SER  27           HA       SER  27  -5.407  -6.984  -1.863
  201   1HB   SER  27          2HB       SER  27  -8.266  -6.112  -1.429
  202   2HB   SER  27          1HB       SER  27  -7.524  -7.522  -0.670
  203    HG   SER  27           HG       SER  27  -6.485  -6.309   0.643
  204    H    ALA  28           H        ALA  28  -7.771  -6.053  -4.263
  205    HA   ALA  28           HA       ALA  28  -8.858  -8.637  -4.754
  206   1HB   ALA  28          1HB       ALA  28  -9.948  -7.544  -6.658
  207   2HB   ALA  28          2HB       ALA  28  -8.963  -6.108  -6.383
  208   3HB   ALA  28          3HB       ALA  28 -10.131  -6.622  -5.164
  209    H    ARG  29           H        ARG  29  -6.562  -6.556  -6.218
  210    HA   ARG  29           HA       ARG  29  -5.836  -8.427  -8.358
  211   1HB   ARG  29          2HB       ARG  29  -4.627  -5.783  -7.609
  212   2HB   ARG  29          1HB       ARG  29  -3.817  -6.853  -8.726
  213   1HG   ARG  29          2HG       ARG  29  -4.993  -5.131  -9.911
  214   2HG   ARG  29          1HG       ARG  29  -5.746  -6.687 -10.242
  215   1HD   ARG  29          2HD       ARG  29  -7.641  -6.152  -9.046
  216   2HD   ARG  29          1HD       ARG  29  -6.807  -4.932  -8.075
  217    HE   ARG  29           HE       ARG  29  -6.638  -4.049 -10.629
  218   1HH1  ARG  29          1HH1      ARG  29  -9.419  -5.056  -8.750
  219   2HH1  ARG  29          2HH1      ARG  29 -10.391  -3.698  -9.103
  220   1HH2  ARG  29          1HH2      ARG  29  -7.976  -2.244 -11.276
  221   2HH2  ARG  29          2HH2      ARG  29  -9.529  -2.047 -10.625
  222    H    LYS  30           H        LYS  30  -5.074  -8.154  -5.184
  223    HA   LYS  30           HA       LYS  30  -3.380  -8.721  -3.759
  224   1HB   LYS  30          2HB       LYS  30  -4.172 -10.959  -4.460
  225   2HB   LYS  30          1HB       LYS  30  -3.086 -10.933  -5.835
  226   1HG   LYS  30          2HG       LYS  30  -1.167 -11.071  -4.350
  227   2HG   LYS  30          1HG       LYS  30  -2.229 -10.990  -2.944
  228   1HD   LYS  30          2HD       LYS  30  -3.198 -13.108  -3.486
  229   2HD   LYS  30          1HD       LYS  30  -2.357 -13.152  -5.038
  230   1HE   LYS  30          2HE       LYS  30  -0.221 -13.275  -3.915
  231   2HE   LYS  30          1HE       LYS  30  -1.006 -13.134  -2.344
  232   1HZ   LYS  30          1HZ       LYS  30  -0.361 -15.422  -3.068
  233   2HZ   LYS  30          2HZ       LYS  30  -1.628 -15.363  -4.208
  234   3HZ   LYS  30          3HZ       LYS  30  -1.946 -15.223  -2.555
  235    H    GLN  31           H        GLN  31  -2.731  -6.912  -5.335
  236    HA   GLN  31           HA       GLN  31   0.311  -6.936  -5.721
  237   1HB   GLN  31          2HB       GLN  31   0.384  -6.208  -7.885
  238   2HB   GLN  31          1HB       GLN  31  -0.911  -7.376  -7.934
  239   1HG   GLN  31          2HG       GLN  31  -2.555  -5.570  -7.933
  240   2HG   GLN  31          1HG       GLN  31  -1.256  -4.380  -7.836
  241   1HE2  GLN  31          1HE2      GLN  31  -3.251  -4.607  -9.942
  242   2HE2  GLN  31          2HE2      GLN  31  -2.392  -4.946 -11.386
  243    H    CYS  32           H        CYS  32   1.590  -5.051  -5.433
  244    HA   CYS  32           HA       CYS  32   0.206  -3.308  -3.868
  245   1HB   CYS  32          2HB       CYS  32   3.031  -3.634  -4.817
  246   2HB   CYS  32          1HB       CYS  32   2.516  -2.324  -3.767
  247    H    LEU  33           H        LEU  33  -0.243  -1.118  -4.653
  248    HA   LEU  33           HA       LEU  33   0.800  -0.193  -7.212
  249   1HB   LEU  33          2HB       LEU  33  -1.435   0.301  -8.083
  250   2HB   LEU  33          1HB       LEU  33  -1.103  -1.411  -8.007
  251    HG   LEU  33           HG       LEU  33  -2.559  -1.479  -5.925
  252   1HD1  LEU  33          1HD1      LEU  33  -2.545   0.899  -5.361
  253   2HD1  LEU  33          2HD1      LEU  33  -4.187   0.308  -5.630
  254   3HD1  LEU  33          3HD1      LEU  33  -3.383   1.267  -6.870
  255   1HD2  LEU  33          1HD2      LEU  33  -4.621  -1.487  -7.232
  256   2HD2  LEU  33          2HD2      LEU  33  -3.296  -2.270  -8.091
  257   3HD2  LEU  33          3HD2      LEU  33  -3.793  -0.636  -8.537
  258    H    ARG  34           H        ARG  34   0.680   1.703  -7.668
  259    HA   ARG  34           HA       ARG  34   1.103   3.433  -5.458
  260   1HB   ARG  34          2HB       ARG  34   2.525   3.379  -7.475
  261   2HB   ARG  34          1HB       ARG  34   1.178   3.867  -8.459
  262   1HG   ARG  34          2HG       ARG  34   2.465   5.630  -6.363
  263   2HG   ARG  34          1HG       ARG  34   2.947   5.601  -8.048
  264   1HD   ARG  34          2HD       ARG  34   0.363   6.134  -8.414
  265   2HD   ARG  34          1HD       ARG  34   0.506   6.726  -6.754
  266    HE   ARG  34           HE       ARG  34   2.088   7.717  -9.041
  267   1HH1  ARG  34          1HH1      ARG  34   0.602   8.373  -5.871
  268   2HH1  ARG  34          2HH1      ARG  34   0.935  10.046  -5.958
  269   1HH2  ARG  34          1HH2      ARG  34   2.544   9.971  -9.087
  270   2HH2  ARG  34          2HH2      ARG  34   2.100  10.979  -7.803
  271    H    PHE  35           H        PHE  35   0.034   5.051  -4.908
  272    HA   PHE  35           HA       PHE  35  -2.379   5.299  -6.117
  273   1HB   PHE  35          2HB       PHE  35  -3.647   5.825  -3.889
  274   2HB   PHE  35          1HB       PHE  35  -2.993   4.221  -4.095
  275    HD1  PHE  35           1HD      PHE  35  -3.444   6.788  -1.861
  276    HD2  PHE  35           2HD      PHE  35  -0.438   4.047  -3.116
  277    HE1  PHE  35           1HE      PHE  35  -2.346   6.991   0.318
  278    HE2  PHE  35           2HE      PHE  35   0.664   4.256  -0.934
  279    HZ   PHE  35           HZ       PHE  35  -0.294   5.723   0.790
  280    H    ASP  36           H        ASP  36  -3.285   8.009  -5.165
  281    HA   ASP  36           HA       ASP  36  -0.840   9.459  -5.107
  282   1HB   ASP  36          2HB       ASP  36  -3.615  10.198  -5.985
  283   2HB   ASP  36          1HB       ASP  36  -2.458  11.461  -5.599
  284    H    TYR  37           H        TYR  37  -0.392   9.210  -3.011
  285    HA   TYR  37           HA       TYR  37  -2.209   9.853  -0.856
  286   1HB   TYR  37          2HB       TYR  37  -0.429   8.143  -0.727
  287   2HB   TYR  37          1HB       TYR  37   0.776   9.360  -1.045
  288    HD1  TYR  37           1HD      TYR  37  -1.977   8.612   1.403
  289    HD2  TYR  37           2HD      TYR  37   1.888  10.297   0.819
  290    HE1  TYR  37           1HE      TYR  37  -1.779   8.973   3.828
  291    HE2  TYR  37           2HE      TYR  37   2.093  10.666   3.240
  292    HH   TYR  37           HH       TYR  37   0.751  10.869   5.233
  293    H    THR  38           H        THR  38  -2.495  11.944  -0.008
  294    HA   THR  38           HA       THR  38  -1.024  13.862  -1.441
  295    HB   THR  38           HB       THR  38  -2.934  15.303  -0.450
  296    HG1  THR  38           1HG      THR  38  -4.451  13.028  -0.331
  297   1HG2  THR  38          1HG2      THR  38  -4.453  14.474  -2.206
  298   2HG2  THR  38          2HG2      THR  38  -3.473  13.015  -2.358
  299   3HG2  THR  38          3HG2      THR  38  -2.793  14.582  -2.794
  300    H    GLY  39           H        GLY  39   0.306  12.668   0.703
  301   1HA   GLY  39          2HA       GLY  39   1.638  13.120   2.467
  302   2HA   GLY  39          1HA       GLY  39   1.365  14.785   2.045
  303    H    GLN  40           H        GLN  40  -1.690  14.330   3.080
  304    HA   GLN  40           HA       GLN  40  -0.851  14.323   5.868
  305   1HB   GLN  40          2HB       GLN  40  -1.033  16.666   5.026
  306   2HB   GLN  40          1HB       GLN  40  -2.712  16.360   4.613
  307   1HG   GLN  40          2HG       GLN  40  -2.684  17.536   6.671
  308   2HG   GLN  40          1HG       GLN  40  -3.124  15.860   7.023
  309   1HE2  GLN  40          1HE2      GLN  40  -2.401  16.019   9.151
  310   2HE2  GLN  40          2HE2      GLN  40  -0.723  16.051   9.551
  311    H    GLY  41           H        GLY  41  -2.471  12.973   7.095
  312   1HA   GLY  41          2HA       GLY  41  -4.688  12.600   7.588
  313   2HA   GLY  41          1HA       GLY  41  -5.135  13.432   6.112
  314    H    GLY  42           H        GLY  42  -3.083  10.599   6.579
  315   1HA   GLY  42          2HA       GLY  42  -4.844   9.249   4.681
  316   2HA   GLY  42          1HA       GLY  42  -3.093   9.087   4.690
  317    H    ASN  43           H        ASN  43  -3.083   6.872   4.969
  318    HA   ASN  43           HA       ASN  43  -4.285   5.622   7.330
  319   1HB   ASN  43          2HB       ASN  43  -4.201   3.718   5.911
  320   2HB   ASN  43          1HB       ASN  43  -5.075   4.948   5.013
  321   1HD2  ASN  43          1HD2      ASN  43  -3.647   2.600   4.081
  322   2HD2  ASN  43          2HD2      ASN  43  -2.414   3.165   2.996
  323    H    GLU  44           H        GLU  44  -3.100   3.967   8.014
  324    HA   GLU  44           HA       GLU  44  -0.373   4.672   8.872
  325   1HB   GLU  44          2HB       GLU  44  -2.051   2.233   9.347
  326   2HB   GLU  44          1HB       GLU  44  -0.624   2.750  10.233
  327   1HG   GLU  44          2HG       GLU  44  -3.312   4.105  10.175
  328   2HG   GLU  44          1HG       GLU  44  -2.586   3.230  11.522
  329    H    ASN  45           H        ASN  45  -1.751   2.669   6.435
  330    HA   ASN  45           HA       ASN  45   0.713   1.212   6.146
  331   1HB   ASN  45          2HB       ASN  45  -1.451   0.130   5.701
  332   2HB   ASN  45          1HB       ASN  45  -1.761   1.281   4.407
  333   1HD2  ASN  45          1HD2      ASN  45  -0.134  -1.541   5.338
  334   2HD2  ASN  45          2HD2      ASN  45   0.546  -1.929   3.793
  335    H    ASN  46           H        ASN  46   2.213   3.643   5.294
  336    HA   ASN  46           HA       ASN  46   1.573   3.511   2.679
  337   1HB   ASN  46          2HB       ASN  46   1.299   5.478   4.136
  338   2HB   ASN  46          1HB       ASN  46   2.995   5.369   4.581
  339   1HD2  ASN  46          1HD2      ASN  46   0.722   6.222   2.202
  340   2HD2  ASN  46          2HD2      ASN  46   1.813   7.048   1.142
  341    H    PHE  47           H        PHE  47   3.067   2.788   1.240
  342    HA   PHE  47           HA       PHE  47   5.622   2.194   2.347
  343   1HB   PHE  47          2HB       PHE  47   4.359   1.095  -0.152
  344   2HB   PHE  47          1HB       PHE  47   5.936   0.623   0.480
  345    HD1  PHE  47           1HD      PHE  47   2.616  -0.252   0.354
  346    HD2  PHE  47           2HD      PHE  47   5.849   0.028   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.511  -1.870   1.826
  348    HE2  PHE  47           2HE      PHE  47   4.759  -1.591   4.554
  349    HZ   PHE  47           HZ       PHE  47   2.580  -2.541   3.921
  350    H    ARG  48           H        ARG  48   7.366   3.145   1.414
  351    HA   ARG  48           HA       ARG  48   7.117   5.150  -0.810
  352   1HB   ARG  48          2HB       ARG  48   7.935   5.904   1.430
  353   2HB   ARG  48          1HB       ARG  48   9.285   4.802   1.241
  354   1HG   ARG  48          2HG       ARG  48   9.909   7.099   0.688
  355   2HG   ARG  48          1HG       ARG  48  10.056   6.041  -0.708
  356   1HD   ARG  48          2HD       ARG  48   8.047   6.966  -1.709
  357   2HD   ARG  48          1HD       ARG  48   7.637   7.837  -0.243
  358    HE   ARG  48           HE       ARG  48  10.094   8.725  -0.892
  359   1HH1  ARG  48          1HH1      ARG  48   7.110   8.552  -2.872
  360   2HH1  ARG  48          2HH1      ARG  48   7.298  10.116  -3.500
  361   1HH2  ARG  48          1HH2      ARG  48  10.292  10.904  -1.802
  362   2HH2  ARG  48          2HH2      ARG  48   9.130  11.482  -2.888
  363    H    ARG  49           H        ARG  49   8.251   1.855  -0.221
  364    HA   ARG  49           HA       ARG  49   9.655   2.130  -2.672
  365   1HB   ARG  49          2HB       ARG  49  11.313   2.197  -0.902
  366   2HB   ARG  49          1HB       ARG  49  10.617   0.787  -0.133
  367   1HG   ARG  49          2HG       ARG  49  11.406  -0.644  -1.865
  368   2HG   ARG  49          1HG       ARG  49  11.880   0.736  -2.859
  369   1HD   ARG  49          2HD       ARG  49  13.828  -0.270  -1.802
  370   2HD   ARG  49          1HD       ARG  49  13.562   1.358  -1.192
  371    HE   ARG  49           HE       ARG  49  12.708  -1.029   0.305
  372   1HH1  ARG  49          1HH1      ARG  49  14.434   2.089   0.211
  373   2HH1  ARG  49          2HH1      ARG  49  14.888   2.027   1.850
  374   1HH2  ARG  49          1HH2      ARG  49  13.336  -1.074   2.559
  375   2HH2  ARG  49          2HH2      ARG  49  14.283   0.192   3.196
  376    H    THR  50           H        THR  50   9.256   0.366  -4.012
  377    HA   THR  50           HA       THR  50   6.902  -1.017  -3.910
  378    HB   THR  50           HB       THR  50   9.286  -1.834  -5.557
  379    HG1  THR  50           1HG      THR  50   7.488   0.257  -6.265
  380   1HG2  THR  50          1HG2      THR  50   7.204  -3.154  -5.817
  381   2HG2  THR  50          2HG2      THR  50   7.555  -2.220  -7.269
  382   3HG2  THR  50          3HG2      THR  50   6.312  -1.668  -6.144
  383    H    TYR  51           H        TYR  51  10.185  -2.434  -3.522
  384    HA   TYR  51           HA       TYR  51   9.353  -5.048  -3.003
  385   1HB   TYR  51          2HB       TYR  51  11.650  -4.664  -3.582
  386   2HB   TYR  51          1HB       TYR  51  11.895  -3.611  -2.189
  387    HD1  TYR  51           1HD      TYR  51  13.017  -4.512  -0.402
  388    HD2  TYR  51           2HD      TYR  51  10.834  -7.122  -2.946
  389    HE1  TYR  51           1HE      TYR  51  13.776  -6.422   0.926
  390    HE2  TYR  51           2HE      TYR  51  11.597  -9.048  -1.626
  391    HH   TYR  51           HH       TYR  51  13.330  -9.651  -0.112
  392    H    ASP  52           H        ASP  52   9.652  -2.308  -0.899
  393    HA   ASP  52           HA       ASP  52   9.508  -3.813   1.536
  394   1HB   ASP  52          2HB       ASP  52  10.238  -1.443   1.492
  395   2HB   ASP  52          1HB       ASP  52   8.610  -0.964   1.029
  396    H    CYS  53           H        CYS  53   7.044  -2.345  -0.435
  397    HA   CYS  53           HA       CYS  53   4.713  -3.188   0.987
  398   1HB   CYS  53          2HB       CYS  53   4.694  -1.646  -0.956
  399   2HB   CYS  53          1HB       CYS  53   4.994  -3.024  -2.012
  400    H    GLN  54           H        GLN  54   6.248  -4.505  -1.503
  401    HA   GLN  54           HA       GLN  54   5.112  -7.135  -1.909
  402   1HB   GLN  54          2HB       GLN  54   6.538  -6.331  -3.564
  403   2HB   GLN  54          1HB       GLN  54   7.986  -6.484  -2.528
  404   1HG   GLN  54          2HG       GLN  54   7.471  -8.967  -2.553
  405   2HG   GLN  54          1HG       GLN  54   6.270  -8.619  -3.800
  406   1HE2  GLN  54          1HE2      GLN  54   9.607  -8.947  -3.081
  407   2HE2  GLN  54          2HE2      GLN  54  10.200  -8.705  -4.676
  408    H    ARG  55           H        ARG  55   7.787  -6.367   0.030
  409    HA   ARG  55           HA       ARG  55   8.181  -9.012   1.030
  410   1HB   ARG  55          2HB       ARG  55   9.996  -7.372   0.973
  411   2HB   ARG  55          1HB       ARG  55   9.122  -6.346   2.092
  412   1HG   ARG  55          2HG       ARG  55   9.430  -7.908   3.864
  413   2HG   ARG  55          1HG       ARG  55  10.106  -9.108   2.753
  414   1HD   ARG  55          2HD       ARG  55  11.965  -7.654   2.262
  415   2HD   ARG  55          1HD       ARG  55  11.285  -6.386   3.262
  416    HE   ARG  55           HE       ARG  55  11.573  -7.897   5.166
  417   1HH1  ARG  55          1HH1      ARG  55  13.512  -8.625   2.258
  418   2HH1  ARG  55          2HH1      ARG  55  14.858  -9.177   3.132
  419   1HH2  ARG  55          1HH2      ARG  55  13.468  -8.650   6.363
  420   2HH2  ARG  55          2HH2      ARG  55  14.860  -9.152   5.525
  421    H    THR  56           H        THR  56   6.377  -6.074   2.432
  422    HA   THR  56           HA       THR  56   5.822  -7.853   4.430
  423    HB   THR  56           HB       THR  56   6.104  -5.583   5.036
  424    HG1  THR  56           1HG      THR  56   4.697  -6.862   6.258
  425   1HG2  THR  56          1HG2      THR  56   3.602  -5.008   3.468
  426   2HG2  THR  56          2HG2      THR  56   5.237  -4.511   3.045
  427   3HG2  THR  56          3HG2      THR  56   4.462  -3.856   4.488
  428    H    CYS  57           H        CYS  57   3.769  -6.771   1.710
  429    HA   CYS  57           HA       CYS  57   1.457  -8.090   2.900
  430   1HB   CYS  57          2HB       CYS  57   1.468  -6.147   0.578
  431   2HB   CYS  57          1HB       CYS  57   0.089  -6.722   1.515
  432    H    LEU  58           H        LEU  58   3.677  -8.513   0.437
  433    HA   LEU  58           HA       LEU  58   1.893 -10.323  -0.992
  434   1HB   LEU  58          2HB       LEU  58   3.075  -8.544  -2.252
  435   2HB   LEU  58          1HB       LEU  58   4.604  -9.228  -1.779
  436    HG   LEU  58           HG       LEU  58   3.894  -9.613  -4.164
  437   1HD1  LEU  58          1HD1      LEU  58   4.425 -12.085  -2.548
  438   2HD1  LEU  58          2HD1      LEU  58   5.626 -10.991  -3.238
  439   3HD1  LEU  58          3HD1      LEU  58   4.584 -11.940  -4.299
  440   1HD2  LEU  58          1HD2      LEU  58   1.533  -9.999  -3.796
  441   2HD2  LEU  58          2HD2      LEU  58   1.895 -11.480  -2.903
  442   3HD2  LEU  58          3HD2      LEU  58   2.264 -11.372  -4.627
  443    H    TYR  59           H        TYR  59   4.579 -10.364   1.200
  444    HA   TYR  59           HA       TYR  59   4.976 -13.162   0.593
  445   1HB   TYR  59          2HB       TYR  59   6.546 -11.312   2.394
  446   2HB   TYR  59          1HB       TYR  59   6.847 -13.038   2.271
  447    HD1  TYR  59           1HD      TYR  59   8.861 -10.872   1.761
  448    HD2  TYR  59           2HD      TYR  59   6.204 -12.891  -0.865
  449    HE1  TYR  59           1HE      TYR  59  10.398 -10.458  -0.106
  450    HE2  TYR  59           2HE      TYR  59   7.726 -12.481  -2.733
  451    HH   TYR  59           HH       TYR  59  10.866 -11.593  -2.340
  452    H    THR  60           H        THR  60   2.998 -14.074   1.475
  453    HA   THR  60           HA       THR  60   2.853 -14.555   4.107
  454    HB   THR  60           HB       THR  60   2.283 -12.174   4.471
  455    HG1  THR  60           1HG      THR  60  -0.275 -12.952   4.846
  456   1HG2  THR  60          1HG2      THR  60   0.263 -11.139   3.495
  457   2HG2  THR  60          2HG2      THR  60  -0.009 -12.591   2.533
  458   3HG2  THR  60          3HG2      THR  60   1.416 -11.599   2.239
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1  -3.880 -13.707   7.565
    2   2H    LYS   1          2HT       LYS   1  -3.061 -14.863   8.429
    3   3H    LYS   1          3HT       LYS   1  -4.772 -14.864   8.422
    4    HA   LYS   1           HA       LYS   1  -2.993 -15.085   6.071
    5   1HB   LYS   1          2HB       LYS   1  -3.529 -17.486   5.881
    6   2HB   LYS   1          1HB       LYS   1  -2.863 -17.190   7.482
    7   1HG   LYS   1          2HG       LYS   1  -5.061 -17.223   8.464
    8   2HG   LYS   1          1HG       LYS   1  -5.808 -17.354   6.875
    9   1HD   LYS   1          2HD       LYS   1  -4.658 -19.530   6.582
   10   2HD   LYS   1          1HD       LYS   1  -4.058 -19.392   8.239
   11   1HE   LYS   1          2HE       LYS   1  -6.335 -19.313   9.073
   12   2HE   LYS   1          1HE       LYS   1  -6.959 -19.389   7.428
   13   1HZ   LYS   1          1HZ       LYS   1  -5.398 -21.486   8.822
   14   2HZ   LYS   1          2HZ       LYS   1  -5.905 -21.584   7.219
   15   3HZ   LYS   1          3HZ       LYS   1  -7.051 -21.527   8.488
   16    H    ASP   2           H        ASP   2  -6.291 -14.923   7.233
   17    HA   ASP   2           HA       ASP   2  -7.300 -15.097   4.540
   18   1HB   ASP   2          2HB       ASP   2  -8.801 -15.844   6.335
   19   2HB   ASP   2          1HB       ASP   2  -8.628 -14.294   7.149
   20    H    ARG   3           H        ARG   3  -7.408 -12.259   6.867
   21    HA   ARG   3           HA       ARG   3  -6.616 -10.773   4.567
   22   1HB   ARG   3          2HB       ARG   3  -7.612  -8.881   5.812
   23   2HB   ARG   3          1HB       ARG   3  -8.804 -10.131   5.496
   24   1HG   ARG   3          2HG       ARG   3  -8.626 -10.909   7.791
   25   2HG   ARG   3          1HG       ARG   3  -7.375  -9.707   8.113
   26   1HD   ARG   3          2HD       ARG   3  -9.570  -8.992   8.932
   27   2HD   ARG   3          1HD       ARG   3  -8.944  -7.919   7.683
   28    HE   ARG   3           HE       ARG   3 -10.531  -9.823   6.425
   29   1HH1  ARG   3          1HH1      ARG   3 -11.012  -7.269   8.813
   30   2HH1  ARG   3          2HH1      ARG   3 -12.569  -6.847   8.264
   31   1HH2  ARG   3          1HH2      ARG   3 -12.592  -9.285   5.664
   32   2HH2  ARG   3          2HH2      ARG   3 -13.520  -8.035   6.376
   33    HA   PRO   4           HA       PRO   4  -2.716 -10.363   6.648
   34   1HB   PRO   4          2HB       PRO   4  -2.764  -7.714   5.341
   35   2HB   PRO   4          1HB       PRO   4  -1.537  -8.991   5.272
   36   1HG   PRO   4          2HG       PRO   4  -3.093  -8.620   3.189
   37   2HG   PRO   4          1HG       PRO   4  -2.787 -10.277   3.759
   38   1HD   PRO   4          2HD       PRO   4  -5.163  -8.522   4.246
   39   2HD   PRO   4          1HD       PRO   4  -5.111 -10.230   3.741
   40    H    SER   5           H        SER   5  -1.836  -9.376   8.358
   41    HA   SER   5           HA       SER   5  -3.134  -8.047  10.069
   42   1HB   SER   5          2HB       SER   5  -0.233  -7.450   9.558
   43   2HB   SER   5          1HB       SER   5  -1.061  -7.290  11.111
   44    HG   SER   5           HG       SER   5  -0.287  -9.251  11.242
   45    H    LEU   6           H        LEU   6  -0.898  -6.471   7.640
   46    HA   LEU   6           HA       LEU   6  -2.208  -3.906   8.077
   47   1HB   LEU   6          2HB       LEU   6  -0.070  -2.810   7.464
   48   2HB   LEU   6          1HB       LEU   6  -0.037  -3.725   8.946
   49    HG   LEU   6           HG       LEU   6   1.098  -5.584   7.594
   50   1HD1  LEU   6          1HD1      LEU   6   2.323  -4.895   5.607
   51   2HD1  LEU   6          2HD1      LEU   6   1.510  -3.330   5.654
   52   3HD1  LEU   6          3HD1      LEU   6   0.577  -4.796   5.368
   53   1HD2  LEU   6          1HD2      LEU   6   3.298  -4.536   7.817
   54   2HD2  LEU   6          2HD2      LEU   6   2.275  -4.218   9.220
   55   3HD2  LEU   6          3HD2      LEU   6   2.526  -2.961   8.006
   56    H    CYS   7           H        CYS   7  -1.901  -6.213   5.825
   57    HA   CYS   7           HA       CYS   7  -1.728  -4.376   3.736
   58   1HB   CYS   7          2HB       CYS   7  -2.373  -7.280   3.405
   59   2HB   CYS   7          1HB       CYS   7  -1.821  -6.198   2.126
   60    H    ASP   8           H        ASP   8  -4.177  -5.301   5.557
   61    HA   ASP   8           HA       ASP   8  -6.482  -5.167   3.759
   62   1HB   ASP   8          2HB       ASP   8  -6.390  -7.053   5.428
   63   2HB   ASP   8          1HB       ASP   8  -6.331  -5.870   6.727
   64    H    LEU   9           H        LEU   9  -4.943  -3.026   4.050
   65    HA   LEU   9           HA       LEU   9  -5.099  -1.351   6.284
   66   1HB   LEU   9          2HB       LEU   9  -3.670  -0.035   4.757
   67   2HB   LEU   9          1HB       LEU   9  -3.104  -1.666   5.027
   68    HG   LEU   9           HG       LEU   9  -4.486  -2.084   2.765
   69   1HD1  LEU   9          1HD1      LEU   9  -4.132  -0.324   1.153
   70   2HD1  LEU   9          2HD1      LEU   9  -3.531   0.724   2.435
   71   3HD1  LEU   9          3HD1      LEU   9  -5.204   0.180   2.464
   72   1HD2  LEU   9          1HD2      LEU   9  -2.185  -2.717   3.091
   73   2HD2  LEU   9          2HD2      LEU   9  -1.668  -1.046   2.870
   74   3HD2  LEU   9          3HD2      LEU   9  -2.386  -1.932   1.525
   75    HA   PRO  10           HA       PRO  10  -8.211   1.093   4.499
   76   1HB   PRO  10          2HB       PRO  10  -7.064   3.642   5.303
   77   2HB   PRO  10          1HB       PRO  10  -8.438   2.786   6.006
   78   1HG   PRO  10          2HG       PRO  10  -5.980   3.106   7.230
   79   2HG   PRO  10          1HG       PRO  10  -7.175   1.863   7.646
   80   1HD   PRO  10          2HD       PRO  10  -4.693   1.650   6.018
   81   2HD   PRO  10          1HD       PRO  10  -5.462   0.447   7.080
   82    H    ALA  11           H        ALA  11  -8.018   0.999   2.300
   83    HA   ALA  11           HA       ALA  11  -5.724   2.263   0.811
   84   1HB   ALA  11          1HB       ALA  11  -8.388   1.017  -0.099
   85   2HB   ALA  11          2HB       ALA  11  -6.823   0.216  -0.229
   86   3HB   ALA  11          3HB       ALA  11  -7.161   1.658  -1.194
   87    H    ASP  12           H        ASP  12  -5.736   4.048   1.678
   88    HA   ASP  12           HA       ASP  12  -7.945   5.886   1.083
   89   1HB   ASP  12          2HB       ASP  12  -8.004   5.360   3.526
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.975   3.655
   91    H    SER  13           H        SER  13  -7.665   7.830   0.357
   92    HA   SER  13           HA       SER  13  -5.002   8.262  -0.891
   93   1HB   SER  13          2HB       SER  13  -7.617   9.696  -1.333
   94   2HB   SER  13          1HB       SER  13  -6.164   9.751  -2.336
   95    HG   SER  13           HG       SER  13  -7.740   7.473  -1.817
   96    H    GLY  14           H        GLY  14  -6.728   9.540   1.759
   97   1HA   GLY  14          2HA       GLY  14  -5.701  10.934   3.302
   98   2HA   GLY  14          1HA       GLY  14  -4.471  11.311   2.110
   99    H    SER  15           H        SER  15  -5.293  13.382   3.476
  100    HA   SER  15           HA       SER  15  -7.553  14.654   2.048
  101   1HB   SER  15          2HB       SER  15  -6.670  15.032   4.897
  102   2HB   SER  15          1HB       SER  15  -8.097  15.721   4.114
  103    HG   SER  15           HG       SER  15  -7.621  12.935   4.334
  104    H    GLY  16           H        GLY  16  -4.482  14.683   1.649
  105   1HA   GLY  16          2HA       GLY  16  -3.616  17.096   2.945
  106   2HA   GLY  16          1HA       GLY  16  -2.644  15.988   2.014
  107    H    THR  17           H        THR  17  -2.105  18.325   1.741
  108    HA   THR  17           HA       THR  17  -3.322  19.677  -0.647
  109    HB   THR  17           HB       THR  17  -2.858  21.013   1.416
  110    HG1  THR  17           1HG      THR  17  -2.667  21.743  -0.858
  111   1HG2  THR  17          1HG2      THR  17  -0.868  19.844   2.224
  112   2HG2  THR  17          2HG2      THR  17  -0.516  21.556   1.986
  113   3HG2  THR  17          3HG2      THR  17   0.036  20.364   0.804
  114    H    LYS  18           H        LYS  18  -0.796  17.395  -0.157
  115    HA   LYS  18           HA       LYS  18   1.049  18.438  -2.259
  116   1HB   LYS  18          2HB       LYS  18   1.917  18.214   0.100
  117   2HB   LYS  18          1HB       LYS  18   1.251  16.600   0.153
  118   1HG   LYS  18          2HG       LYS  18   3.666  16.591  -0.163
  119   2HG   LYS  18          1HG       LYS  18   2.836  15.867  -1.534
  120   1HD   LYS  18          2HD       LYS  18   3.110  17.960  -2.786
  121   2HD   LYS  18          1HD       LYS  18   3.960  18.667  -1.407
  122   1HE   LYS  18          2HE       LYS  18   5.694  16.978  -1.574
  123   2HE   LYS  18          1HE       LYS  18   4.827  16.193  -2.892
  124   1HZ   LYS  18          1HZ       LYS  18   5.151  18.141  -4.237
  125   2HZ   LYS  18          2HZ       LYS  18   6.637  17.567  -3.682
  126   3HZ   LYS  18          3HZ       LYS  18   5.939  18.944  -2.966
  127    H    ALA  19           H        ALA  19   1.901  16.891  -3.536
  128    HA   ALA  19           HA       ALA  19   0.232  14.481  -3.968
  129   1HB   ALA  19          1HB       ALA  19   1.929  16.046  -5.936
  130   2HB   ALA  19          2HB       ALA  19   0.166  16.088  -5.877
  131   3HB   ALA  19          3HB       ALA  19   1.003  14.591  -6.295
  132    H    GLU  20           H        GLU  20   1.167  12.688  -3.431
  133    HA   GLU  20           HA       GLU  20   4.038  12.658  -3.372
  134   1HB   GLU  20          2HB       GLU  20   3.249  13.274  -1.179
  135   2HB   GLU  20          1HB       GLU  20   2.126  11.932  -1.157
  136   1HG   GLU  20          2HG       GLU  20   3.965  11.449   0.254
  137   2HG   GLU  20          1HG       GLU  20   4.023  10.389  -1.147
  138    H    LYS  21           H        LYS  21   4.713  10.661  -4.221
  139    HA   LYS  21           HA       LYS  21   2.634   8.711  -5.058
  140   1HB   LYS  21          2HB       LYS  21   4.121   9.903  -6.772
  141   2HB   LYS  21          1HB       LYS  21   5.492   9.162  -5.974
  142   1HG   LYS  21          2HG       LYS  21   3.264   7.528  -7.164
  143   2HG   LYS  21          1HG       LYS  21   4.616   8.101  -8.129
  144   1HD   LYS  21          2HD       LYS  21   4.859   6.366  -5.663
  145   2HD   LYS  21          1HD       LYS  21   4.893   5.767  -7.321
  146   1HE   LYS  21          2HE       LYS  21   6.861   7.137  -7.759
  147   2HE   LYS  21          1HE       LYS  21   6.825   7.722  -6.095
  148   1HZ   LYS  21          1HZ       LYS  21   7.164   4.881  -6.890
  149   2HZ   LYS  21          2HZ       LYS  21   7.263   5.487  -5.323
  150   3HZ   LYS  21          3HZ       LYS  21   8.416   5.938  -6.496
  151    H    ARG  22           H        ARG  22   2.190   7.323  -3.510
  152    HA   ARG  22           HA       ARG  22   4.567   6.226  -2.463
  153   1HB   ARG  22          2HB       ARG  22   1.880   6.660  -1.210
  154   2HB   ARG  22          1HB       ARG  22   3.156   5.725  -0.444
  155   1HG   ARG  22          2HG       ARG  22   3.475   8.586  -1.323
  156   2HG   ARG  22          1HG       ARG  22   3.010   8.095   0.309
  157   1HD   ARG  22          2HD       ARG  22   5.100   6.881   0.559
  158   2HD   ARG  22          1HD       ARG  22   5.547   7.275  -1.102
  159    HE   ARG  22           HE       ARG  22   5.860   9.514  -0.478
  160   1HH1  ARG  22          1HH1      ARG  22   5.121   7.512   2.395
  161   2HH1  ARG  22          2HH1      ARG  22   5.820   8.633   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.817  10.982   1.035
  163   2HH2  ARG  22          2HH2      ARG  22   6.842  10.625   2.684
  164    H    ILE  23           H        ILE  23   3.600   3.639  -1.442
  165    HA   ILE  23           HA       ILE  23   1.626   2.801  -3.398
  166    HB   ILE  23           HB       ILE  23   3.877   2.254  -4.404
  167   1HG1  ILE  23          2HG1      ILE  23   2.445  -0.264  -3.551
  168   2HG1  ILE  23          1HG1      ILE  23   1.887   0.801  -4.834
  169   1HG2  ILE  23          1HG2      ILE  23   5.256   0.499  -3.432
  170   2HG2  ILE  23          2HG2      ILE  23   4.189   0.410  -2.051
  171   3HG2  ILE  23          3HG2      ILE  23   5.151   1.886  -2.324
  172   1HD1  ILE  23          1HD1      ILE  23   3.922   0.373  -6.098
  173   2HD1  ILE  23          2HD1      ILE  23   3.087  -1.131  -5.720
  174   3HD1  ILE  23          3HD1      ILE  23   4.520  -0.657  -4.801
  175    H    TYR  24           H        TYR  24   0.351   1.028  -2.668
  176    HA   TYR  24           HA       TYR  24   1.098  -0.194  -0.186
  177   1HB   TYR  24          2HB       TYR  24  -1.166   0.098   0.848
  178   2HB   TYR  24          1HB       TYR  24  -0.239   1.571   0.745
  179    HD1  TYR  24           1HD      TYR  24  -2.008   0.424  -2.295
  180    HD2  TYR  24           2HD      TYR  24  -2.270   2.792   1.227
  181    HE1  TYR  24           1HE      TYR  24  -3.990   1.564  -3.208
  182    HE2  TYR  24           2HE      TYR  24  -4.234   3.935   0.324
  183    HH   TYR  24           HH       TYR  24  -5.235   4.412  -1.780
  184    H    TYR  25           H        TYR  25  -0.855  -2.004   0.345
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.546  -1.880
  186   1HB   TYR  25          2HB       TYR  25  -0.435  -4.341   0.367
  187   2HB   TYR  25          1HB       TYR  25  -2.080  -3.887   0.749
  188    HD1  TYR  25           1HD      TYR  25  -0.088  -6.180  -1.418
  189    HD2  TYR  25           2HD      TYR  25  -3.790  -5.465   0.547
  190    HE1  TYR  25           1HE      TYR  25  -0.784  -8.485  -1.894
  191    HE2  TYR  25           2HE      TYR  25  -4.502  -7.762   0.064
  192    HH   TYR  25           HH       TYR  25  -2.316 -10.144  -1.024
  193    H    ASN  26           H        ASN  26  -2.471  -3.997  -3.361
  194    HA   ASN  26           HA       ASN  26  -5.167  -2.968  -2.663
  195   1HB   ASN  26          2HB       ASN  26  -4.211  -2.274  -4.926
  196   2HB   ASN  26          1HB       ASN  26  -4.125  -3.991  -5.331
  197   1HD2  ASN  26          1HD2      ASN  26  -6.214  -1.276  -4.825
  198   2HD2  ASN  26          2HD2      ASN  26  -7.661  -2.030  -5.373
  199    H    SER  27           H        SER  27  -6.542  -4.187  -2.126
  200    HA   SER  27           HA       SER  27  -5.545  -6.633  -1.379
  201   1HB   SER  27          2HB       SER  27  -8.299  -5.553  -0.780
  202   2HB   SER  27          1HB       SER  27  -7.659  -7.027  -0.056
  203    HG   SER  27           HG       SER  27  -6.354  -5.922   1.143
  204    H    ALA  28           H        ALA  28  -8.012  -5.724  -3.687
  205    HA   ALA  28           HA       ALA  28  -9.093  -8.319  -4.087
  206   1HB   ALA  28          1HB       ALA  28 -10.386  -6.329  -4.516
  207   2HB   ALA  28          2HB       ALA  28 -10.227  -7.293  -5.986
  208   3HB   ALA  28          3HB       ALA  28  -9.251  -5.838  -5.775
  209    H    ARG  29           H        ARG  29  -6.779  -6.239  -5.607
  210    HA   ARG  29           HA       ARG  29  -6.187  -8.091  -7.825
  211   1HB   ARG  29          2HB       ARG  29  -4.589  -5.633  -7.068
  212   2HB   ARG  29          1HB       ARG  29  -4.465  -6.533  -8.565
  213   1HG   ARG  29          2HG       ARG  29  -6.845  -4.951  -7.664
  214   2HG   ARG  29          1HG       ARG  29  -5.630  -4.410  -8.811
  215   1HD   ARG  29          2HD       ARG  29  -6.242  -6.276 -10.284
  216   2HD   ARG  29          1HD       ARG  29  -7.490  -6.751  -9.129
  217    HE   ARG  29           HE       ARG  29  -8.010  -4.162  -9.577
  218   1HH1  ARG  29          1HH1      ARG  29  -7.764  -7.008 -11.681
  219   2HH1  ARG  29          2HH1      ARG  29  -8.737  -6.340 -12.913
  220   1HH2  ARG  29          1HH2      ARG  29  -9.384  -3.287 -11.255
  221   2HH2  ARG  29          2HH2      ARG  29  -9.685  -4.177 -12.673
  222    H    LYS  30           H        LYS  30  -5.285  -7.960  -4.710
  223    HA   LYS  30           HA       LYS  30  -3.603  -8.798  -3.369
  224   1HB   LYS  30          2HB       LYS  30  -4.664 -10.847  -4.311
  225   2HB   LYS  30          1HB       LYS  30  -3.511 -10.837  -5.631
  226   1HG   LYS  30          2HG       LYS  30  -1.710 -11.338  -4.092
  227   2HG   LYS  30          1HG       LYS  30  -2.818 -11.229  -2.723
  228   1HD   LYS  30          2HD       LYS  30  -4.080 -13.127  -3.554
  229   2HD   LYS  30          1HD       LYS  30  -3.064 -13.199  -4.994
  230   1HE   LYS  30          2HE       LYS  30  -2.044 -13.556  -2.176
  231   2HE   LYS  30          1HE       LYS  30  -2.485 -14.883  -3.251
  232   1HZ   LYS  30          1HZ       LYS  30  -0.096 -14.473  -3.314
  233   2HZ   LYS  30          2HZ       LYS  30  -0.353 -12.869  -3.830
  234   3HZ   LYS  30          3HZ       LYS  30  -0.808 -14.148  -4.796
  235    H    GLN  31           H        GLN  31  -2.903  -7.053  -4.995
  236    HA   GLN  31           HA       GLN  31   0.160  -7.025  -5.293
  237   1HB   GLN  31          2HB       GLN  31   0.233  -6.374  -7.553
  238   2HB   GLN  31          1HB       GLN  31  -0.701  -7.855  -7.458
  239   1HG   GLN  31          2HG       GLN  31  -2.744  -6.548  -7.643
  240   2HG   GLN  31          1HG       GLN  31  -1.779  -5.079  -7.789
  241   1HE2  GLN  31          1HE2      GLN  31  -2.544  -4.643  -9.819
  242   2HE2  GLN  31          2HE2      GLN  31  -2.077  -5.569 -11.199
  243    H    CYS  32           H        CYS  32   1.394  -5.145  -5.349
  244    HA   CYS  32           HA       CYS  32   0.094  -3.279  -3.749
  245   1HB   CYS  32          2HB       CYS  32   2.734  -3.300  -5.162
  246   2HB   CYS  32          1HB       CYS  32   2.237  -2.202  -3.893
  247    H    LEU  33           H        LEU  33  -0.290  -1.190  -4.309
  248    HA   LEU  33           HA       LEU  33  -0.274  -0.608  -7.091
  249   1HB   LEU  33          2HB       LEU  33  -2.459  -1.469  -6.765
  250   2HB   LEU  33          1HB       LEU  33  -2.631  -0.669  -5.223
  251    HG   LEU  33           HG       LEU  33  -2.668   1.456  -6.431
  252   1HD1  LEU  33          1HD1      LEU  33  -3.330   1.420  -8.828
  253   2HD1  LEU  33          2HD1      LEU  33  -3.045  -0.321  -8.846
  254   3HD1  LEU  33          3HD1      LEU  33  -1.708   0.786  -8.557
  255   1HD2  LEU  33          1HD2      LEU  33  -5.043   1.244  -7.092
  256   2HD2  LEU  33          2HD2      LEU  33  -4.676   0.509  -5.533
  257   3HD2  LEU  33          3HD2      LEU  33  -4.887  -0.508  -6.961
  258    H    ARG  34           H        ARG  34   0.253   1.458  -7.326
  259    HA   ARG  34           HA       ARG  34   0.953   3.157  -5.148
  260   1HB   ARG  34          2HB       ARG  34   2.261   2.808  -7.266
  261   2HB   ARG  34          1HB       ARG  34   0.959   3.553  -8.160
  262   1HG   ARG  34          2HG       ARG  34   2.541   4.989  -6.042
  263   2HG   ARG  34          1HG       ARG  34   3.011   4.958  -7.728
  264   1HD   ARG  34          2HD       ARG  34   0.428   6.026  -6.623
  265   2HD   ARG  34          1HD       ARG  34   1.811   6.990  -7.120
  266    HE   ARG  34           HE       ARG  34   1.286   5.572  -9.330
  267   1HH1  ARG  34          1HH1      ARG  34  -0.719   7.520  -7.225
  268   2HH1  ARG  34          2HH1      ARG  34  -1.813   8.015  -8.417
  269   1HH2  ARG  34          1HH2      ARG  34  -0.195   6.180 -11.009
  270   2HH2  ARG  34          2HH2      ARG  34  -1.458   7.291 -10.656
  271    H    PHE  35           H        PHE  35  -0.053   4.921  -4.654
  272    HA   PHE  35           HA       PHE  35  -2.538   5.221  -5.844
  273   1HB   PHE  35          2HB       PHE  35  -3.687   5.957  -3.615
  274   2HB   PHE  35          1HB       PHE  35  -3.135   4.305  -3.781
  275    HD1  PHE  35           1HD      PHE  35  -0.542   4.026  -2.879
  276    HD2  PHE  35           2HD      PHE  35  -3.361   6.948  -1.596
  277    HE1  PHE  35           1HE      PHE  35   0.636   4.217  -0.735
  278    HE2  PHE  35           2HE      PHE  35  -2.170   7.145   0.545
  279    HZ   PHE  35           HZ       PHE  35  -0.173   5.785   0.977
  280    H    ASP  36           H        ASP  36  -3.407   7.937  -5.098
  281    HA   ASP  36           HA       ASP  36  -0.997   9.401  -5.346
  282   1HB   ASP  36          2HB       ASP  36  -3.880  10.236  -5.859
  283   2HB   ASP  36          1HB       ASP  36  -2.540  11.352  -5.975
  284    H    TYR  37           H        TYR  37  -0.493   9.309  -3.140
  285    HA   TYR  37           HA       TYR  37  -2.389  10.040  -1.121
  286   1HB   TYR  37          2HB       TYR  37  -0.676   8.390  -0.647
  287   2HB   TYR  37          1HB       TYR  37   0.589   9.520  -1.091
  288    HD1  TYR  37           1HD      TYR  37  -2.378   9.729   1.213
  289    HD2  TYR  37           2HD      TYR  37   1.829  10.113   0.735
  290    HE1  TYR  37           1HE      TYR  37  -2.183  10.498   3.548
  291    HE2  TYR  37           2HE      TYR  37   2.036  10.874   3.044
  292    HH   TYR  37           HH       TYR  37   0.681  11.946   4.728
  293    H    THR  38           H        THR  38  -2.596  12.175  -0.184
  294    HA   THR  38           HA       THR  38  -1.197  14.037  -1.714
  295    HB   THR  38           HB       THR  38  -3.032  15.494  -0.540
  296    HG1  THR  38           1HG      THR  38  -4.542  13.195  -0.441
  297   1HG2  THR  38          1HG2      THR  38  -4.644  14.796  -2.263
  298   2HG2  THR  38          2HG2      THR  38  -3.718  13.316  -2.536
  299   3HG2  THR  38          3HG2      THR  38  -3.018  14.883  -2.938
  300    H    GLY  39           H        GLY  39   0.251  12.828   0.344
  301   1HA   GLY  39          2HA       GLY  39   1.715  13.230   2.021
  302   2HA   GLY  39          1HA       GLY  39   1.439  14.909   1.663
  303    H    GLN  40           H        GLN  40  -1.568  14.437   2.833
  304    HA   GLN  40           HA       GLN  40  -0.557  14.390   5.526
  305   1HB   GLN  40          2HB       GLN  40  -0.619  16.734   4.777
  306   2HB   GLN  40          1HB       GLN  40  -2.326  16.565   4.392
  307   1HG   GLN  40          2HG       GLN  40  -1.952  17.739   6.502
  308   2HG   GLN  40          1HG       GLN  40  -2.851  16.236   6.728
  309   1HE2  GLN  40          1HE2      GLN  40  -2.248  16.160   8.864
  310   2HE2  GLN  40          2HE2      GLN  40  -0.683  15.667   9.396
  311    H    GLY  41           H        GLY  41  -2.119  13.074   6.885
  312   1HA   GLY  41          2HA       GLY  41  -4.305  12.779   7.571
  313   2HA   GLY  41          1HA       GLY  41  -4.848  13.646   6.144
  314    H    GLY  42           H        GLY  42  -2.861  10.713   6.387
  315   1HA   GLY  42          2HA       GLY  42  -4.856   9.456   4.655
  316   2HA   GLY  42          1HA       GLY  42  -3.120   9.214   4.513
  317    H    ASN  43           H        ASN  43  -3.160   7.000   4.791
  318    HA   ASN  43           HA       ASN  43  -4.339   5.760   7.186
  319   1HB   ASN  43          2HB       ASN  43  -4.210   3.850   5.802
  320   2HB   ASN  43          1HB       ASN  43  -5.033   5.065   4.834
  321   1HD2  ASN  43          1HD2      ASN  43  -3.684   2.744   3.878
  322   2HD2  ASN  43          2HD2      ASN  43  -2.335   3.282   2.927
  323    H    GLU  44           H        GLU  44  -3.188   4.176   8.014
  324    HA   GLU  44           HA       GLU  44  -0.470   4.902   8.872
  325   1HB   GLU  44          2HB       GLU  44  -0.772   3.024  10.300
  326   2HB   GLU  44          1HB       GLU  44  -2.183   4.062  10.409
  327   1HG   GLU  44          2HG       GLU  44  -3.425   2.542   8.956
  328   2HG   GLU  44          1HG       GLU  44  -2.000   1.513   8.815
  329    H    ASN  45           H        ASN  45  -1.773   2.915   6.475
  330    HA   ASN  45           HA       ASN  45   0.732   1.485   6.356
  331   1HB   ASN  45          2HB       ASN  45  -1.359   0.274   5.881
  332   2HB   ASN  45          1HB       ASN  45  -1.628   1.308   4.481
  333   1HD2  ASN  45          1HD2      ASN  45   0.212  -1.303   5.796
  334   2HD2  ASN  45          2HD2      ASN  45   0.971  -1.754   4.315
  335    H    ASN  46           H        ASN  46   2.246   3.832   5.393
  336    HA   ASN  46           HA       ASN  46   1.608   3.669   2.760
  337   1HB   ASN  46          2HB       ASN  46   1.508   5.696   4.170
  338   2HB   ASN  46          1HB       ASN  46   3.202   5.472   4.573
  339   1HD2  ASN  46          1HD2      ASN  46   0.957   6.625   2.379
  340   2HD2  ASN  46          2HD2      ASN  46   2.035   7.244   1.187
  341    H    PHE  47           H        PHE  47   3.123   2.937   1.277
  342    HA   PHE  47           HA       PHE  47   5.692   2.358   2.412
  343   1HB   PHE  47          2HB       PHE  47   4.443   1.144  -0.050
  344   2HB   PHE  47          1HB       PHE  47   6.062   0.772   0.534
  345    HD1  PHE  47           1HD      PHE  47   2.725  -0.199   0.603
  346    HD2  PHE  47           2HD      PHE  47   6.164   0.097   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.763  -1.855   2.136
  348    HE2  PHE  47           2HE      PHE  47   5.210  -1.561   4.609
  349    HZ   PHE  47           HZ       PHE  47   3.003  -2.534   4.137
  350    H    ARG  48           H        ARG  48   7.441   3.285   1.479
  351    HA   ARG  48           HA       ARG  48   7.138   5.293  -0.715
  352   1HB   ARG  48          2HB       ARG  48   7.999   6.043   1.517
  353   2HB   ARG  48          1HB       ARG  48   9.341   4.935   1.311
  354   1HG   ARG  48          2HG       ARG  48   9.946   7.252   0.753
  355   2HG   ARG  48          1HG       ARG  48  10.115   6.176  -0.627
  356   1HD   ARG  48          2HD       ARG  48   8.023   7.034  -1.601
  357   2HD   ARG  48          1HD       ARG  48   7.699   7.991  -0.178
  358    HE   ARG  48           HE       ARG  48  10.145   8.811  -1.035
  359   1HH1  ARG  48          1HH1      ARG  48   6.975   8.567  -2.689
  360   2HH1  ARG  48          2HH1      ARG  48   7.181  10.055  -3.460
  361   1HH2  ARG  48          1HH2      ARG  48  10.367  10.759  -2.134
  362   2HH2  ARG  48          2HH2      ARG  48   9.115  11.354  -3.161
  363    H    ARG  49           H        ARG  49   8.298   2.042  -0.085
  364    HA   ARG  49           HA       ARG  49   9.896   2.289  -2.414
  365   1HB   ARG  49          2HB       ARG  49  11.383   2.289  -0.551
  366   2HB   ARG  49          1HB       ARG  49  10.492   1.005   0.246
  367   1HG   ARG  49          2HG       ARG  49  11.268  -0.546  -1.542
  368   2HG   ARG  49          1HG       ARG  49  12.269   0.768  -2.175
  369   1HD   ARG  49          2HD       ARG  49  13.516   0.893  -0.137
  370   2HD   ARG  49          1HD       ARG  49  12.419  -0.234   0.662
  371    HE   ARG  49           HE       ARG  49  13.766  -1.288  -1.670
  372   1HH1  ARG  49          1HH1      ARG  49  13.916  -0.895   1.872
  373   2HH1  ARG  49          2HH1      ARG  49  15.001  -2.176   2.096
  374   1HH2  ARG  49          1HH2      ARG  49  15.224  -3.143  -1.306
  375   2HH2  ARG  49          2HH2      ARG  49  15.716  -3.511   0.265
  376    H    THR  50           H        THR  50   9.565   0.541  -3.765
  377    HA   THR  50           HA       THR  50   7.217  -0.909  -3.768
  378    HB   THR  50           HB       THR  50   9.735  -1.457  -5.354
  379    HG1  THR  50           1HG      THR  50   7.644   0.215  -6.251
  380   1HG2  THR  50          1HG2      THR  50   8.166  -2.184  -7.099
  381   2HG2  THR  50          2HG2      THR  50   6.808  -1.865  -6.017
  382   3HG2  THR  50          3HG2      THR  50   7.957  -3.147  -5.636
  383    H    TYR  51           H        TYR  51  10.511  -2.035  -2.909
  384    HA   TYR  51           HA       TYR  51   9.766  -4.756  -2.588
  385   1HB   TYR  51          2HB       TYR  51  12.119  -4.017  -2.868
  386   2HB   TYR  51          1HB       TYR  51  12.068  -3.280  -1.275
  387    HD1  TYR  51           1HD      TYR  51  12.892  -4.495   0.506
  388    HD2  TYR  51           2HD      TYR  51  11.530  -6.563  -2.950
  389    HE1  TYR  51           1HE      TYR  51  13.684  -6.614   1.462
  390    HE2  TYR  51           2HE      TYR  51  12.315  -8.679  -2.003
  391    HH   TYR  51           HH       TYR  51  13.965  -9.408  -0.429
  392    H    ASP  52           H        ASP  52   9.806  -1.986  -0.469
  393    HA   ASP  52           HA       ASP  52   9.327  -3.395   1.961
  394   1HB   ASP  52          2HB       ASP  52   8.470  -0.605   1.175
  395   2HB   ASP  52          1HB       ASP  52   8.002  -1.310   2.710
  396    H    CYS  53           H        CYS  53   6.997  -2.231  -0.414
  397    HA   CYS  53           HA       CYS  53   4.743  -3.181   0.995
  398   1HB   CYS  53          2HB       CYS  53   3.441  -2.722  -0.850
  399   2HB   CYS  53          1HB       CYS  53   4.820  -1.676  -1.117
  400    H    GLN  54           H        GLN  54   6.420  -4.506  -1.428
  401    HA   GLN  54           HA       GLN  54   5.360  -7.148  -1.810
  402   1HB   GLN  54          2HB       GLN  54   6.843  -6.384  -3.465
  403   2HB   GLN  54          1HB       GLN  54   8.242  -6.490  -2.368
  404   1HG   GLN  54          2HG       GLN  54   7.731  -8.975  -2.285
  405   2HG   GLN  54          1HG       GLN  54   6.601  -8.695  -3.604
  406   1HE2  GLN  54          1HE2      GLN  54   7.760  -9.952  -5.066
  407   2HE2  GLN  54          2HE2      GLN  54   9.276  -9.424  -5.697
  408    H    ARG  55           H        ARG  55   8.074  -6.355   0.121
  409    HA   ARG  55           HA       ARG  55   8.501  -8.980   1.266
  410   1HB   ARG  55          2HB       ARG  55  10.292  -7.299   1.288
  411   2HB   ARG  55          1HB       ARG  55   9.278  -6.203   2.205
  412   1HG   ARG  55          2HG       ARG  55   9.354  -7.734   4.099
  413   2HG   ARG  55          1HG       ARG  55  10.383  -8.824   3.162
  414   1HD   ARG  55          2HD       ARG  55  12.186  -7.404   3.233
  415   2HD   ARG  55          1HD       ARG  55  11.188  -5.975   3.444
  416    HE   ARG  55           HE       ARG  55  10.667  -7.108   5.703
  417   1HH1  ARG  55          1HH1      ARG  55  13.884  -7.311   4.211
  418   2HH1  ARG  55          2HH1      ARG  55  14.730  -6.979   5.652
  419   1HH2  ARG  55          1HH2      ARG  55  11.857  -6.744   7.710
  420   2HH2  ARG  55          2HH2      ARG  55  13.564  -6.635   7.677
  421    H    THR  56           H        THR  56   6.590  -6.073   2.537
  422    HA   THR  56           HA       THR  56   5.981  -7.851   4.538
  423    HB   THR  56           HB       THR  56   6.074  -5.492   5.060
  424    HG1  THR  56           1HG      THR  56   3.822  -7.029   5.582
  425   1HG2  THR  56          1HG2      THR  56   4.300  -3.971   4.378
  426   2HG2  THR  56          2HG2      THR  56   3.545  -5.260   3.442
  427   3HG2  THR  56          3HG2      THR  56   5.125  -4.634   2.970
  428    H    CYS  57           H        CYS  57   4.148  -7.041   1.557
  429    HA   CYS  57           HA       CYS  57   1.835  -8.532   2.581
  430   1HB   CYS  57          2HB       CYS  57   2.040  -6.605   0.294
  431   2HB   CYS  57          1HB       CYS  57   0.586  -7.499   0.728
  432    H    LEU  58           H        LEU  58   4.321  -9.020   0.357
  433    HA   LEU  58           HA       LEU  58   2.644 -10.914  -1.044
  434   1HB   LEU  58          2HB       LEU  58   3.833  -9.242  -2.384
  435   2HB   LEU  58          1HB       LEU  58   5.360  -9.818  -1.782
  436    HG   LEU  58           HG       LEU  58   4.799 -10.421  -4.161
  437   1HD1  LEU  58          1HD1      LEU  58   5.335 -12.742  -2.333
  438   2HD1  LEU  58          2HD1      LEU  58   6.529 -11.640  -3.006
  439   3HD1  LEU  58          3HD1      LEU  58   5.614 -12.710  -4.075
  440   1HD2  LEU  58          1HD2      LEU  58   2.434 -10.890  -3.879
  441   2HD2  LEU  58          2HD2      LEU  58   2.816 -12.281  -2.862
  442   3HD2  LEU  58          3HD2      LEU  58   3.270 -12.280  -4.567
  443    H    TYR  59           H        TYR  59   5.298 -10.756   1.195
  444    HA   TYR  59           HA       TYR  59   5.801 -13.531   0.666
  445   1HB   TYR  59          2HB       TYR  59   7.434 -11.573   2.291
  446   2HB   TYR  59          1HB       TYR  59   7.764 -13.308   2.241
  447    HD1  TYR  59           1HD      TYR  59   8.345 -10.174   0.606
  448    HD2  TYR  59           2HD      TYR  59   8.121 -14.366  -0.056
  449    HE1  TYR  59           1HE      TYR  59   9.584  -9.906  -1.506
  450    HE2  TYR  59           2HE      TYR  59   9.366 -14.112  -2.158
  451    HH   TYR  59           HH       TYR  59  10.992 -11.281  -3.041
  452    H    THR  60           H        THR  60   3.933 -14.079   1.258
  453    HA   THR  60           HA       THR  60   3.867 -15.253   3.831
  454    HB   THR  60           HB       THR  60   2.746 -13.205   4.487
  455    HG1  THR  60           1HG      THR  60   1.597 -14.540   5.565
  456   1HG2  THR  60          1HG2      THR  60   0.696 -12.343   3.398
  457   2HG2  THR  60          2HG2      THR  60   0.828 -13.596   2.168
  458   3HG2  THR  60          3HG2      THR  60   2.067 -12.344   2.284
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1   2.727 -16.285  10.019
    2   2H    LYS   1          2HT       LYS   1   1.046 -16.231   9.943
    3   3H    LYS   1          3HT       LYS   1   1.913 -14.866   9.548
    4    HA   LYS   1           HA       LYS   1   2.826 -15.972   7.615
    5   1HB   LYS   1          2HB       LYS   1   2.741 -18.290   8.644
    6   2HB   LYS   1          1HB       LYS   1   1.003 -18.262   8.505
    7   1HG   LYS   1          2HG       LYS   1   2.870 -18.205   6.122
    8   2HG   LYS   1          1HG       LYS   1   2.247 -19.686   6.839
    9   1HD   LYS   1          2HD       LYS   1  -0.071 -18.797   6.377
   10   2HD   LYS   1          1HD       LYS   1   0.690 -17.485   5.481
   11   1HE   LYS   1          2HE       LYS   1   0.924 -20.438   4.872
   12   2HE   LYS   1          1HE       LYS   1  -0.046 -19.269   3.985
   13   1HZ   LYS   1          1HZ       LYS   1   2.932 -19.272   4.177
   14   2HZ   LYS   1          2HZ       LYS   1   2.013 -18.105   3.405
   15   3HZ   LYS   1          3HZ       LYS   1   2.002 -19.690   2.825
   16    H    ASP   2           H        ASP   2  -0.494 -15.871   8.857
   17    HA   ASP   2           HA       ASP   2  -1.577 -15.239   6.296
   18   1HB   ASP   2          2HB       ASP   2  -3.027 -16.081   8.166
   19   2HB   ASP   2          1HB       ASP   2  -2.682 -14.613   9.070
   20    H    ARG   3           H        ARG   3  -2.530 -13.170   5.705
   21    HA   ARG   3           HA       ARG   3  -0.529 -11.259   5.352
   22   1HB   ARG   3          2HB       ARG   3  -3.493 -10.796   5.154
   23   2HB   ARG   3          1HB       ARG   3  -2.210 -10.059   4.211
   24   1HG   ARG   3          2HG       ARG   3  -2.265 -11.687   2.683
   25   2HG   ARG   3          1HG       ARG   3  -2.370 -12.959   3.913
   26   1HD   ARG   3          2HD       ARG   3  -4.640 -11.210   2.950
   27   2HD   ARG   3          1HD       ARG   3  -4.421 -12.930   2.599
   28    HE   ARG   3           HE       ARG   3  -4.567 -13.263   5.086
   29   1HH1  ARG   3          1HH1      ARG   3  -6.452 -10.739   3.452
   30   2HH1  ARG   3          2HH1      ARG   3  -7.421 -10.411   4.783
   31   1HH2  ARG   3          1HH2      ARG   3  -5.844 -12.793   6.919
   32   2HH2  ARG   3          2HH2      ARG   3  -7.066 -11.597   6.853
   33    HA   PRO   4           HA       PRO   4  -1.140  -8.842   9.223
   34   1HB   PRO   4          2HB       PRO   4   0.064  -6.769   7.450
   35   2HB   PRO   4          1HB       PRO   4   0.565  -7.265   9.072
   36   1HG   PRO   4          2HG       PRO   4   2.005  -7.958   6.966
   37   2HG   PRO   4          1HG       PRO   4   1.735  -9.111   8.287
   38   1HD   PRO   4          2HD       PRO   4   0.437  -8.971   5.595
   39   2HD   PRO   4          1HD       PRO   4   0.973 -10.391   6.518
   40    H    SER   5           H        SER   5  -2.924  -7.599   9.702
   41    HA   SER   5           HA       SER   5  -4.916  -7.303   7.905
   42   1HB   SER   5          2HB       SER   5  -4.616  -5.910  10.541
   43   2HB   SER   5          1HB       SER   5  -6.132  -6.148   9.662
   44    HG   SER   5           HG       SER   5  -6.156  -8.174  10.188
   45    H    LEU   6           H        LEU   6  -2.264  -5.241   7.865
   46    HA   LEU   6           HA       LEU   6  -3.733  -2.791   7.411
   47   1HB   LEU   6          2HB       LEU   6  -1.734  -1.645   7.363
   48   2HB   LEU   6          1HB       LEU   6  -1.395  -2.937   8.485
   49    HG   LEU   6           HG       LEU   6  -0.489  -2.852   5.598
   50   1HD1  LEU   6          1HD1      LEU   6   0.590  -1.146   6.914
   51   2HD1  LEU   6          2HD1      LEU   6   1.730  -2.438   6.528
   52   3HD1  LEU   6          3HD1      LEU   6   1.020  -2.335   8.142
   53   1HD2  LEU   6          1HD2      LEU   6  -0.728  -5.136   6.448
   54   2HD2  LEU   6          2HD2      LEU   6   0.292  -4.724   7.826
   55   3HD2  LEU   6          3HD2      LEU   6   0.962  -4.708   6.195
   56    H    CYS   7           H        CYS   7  -2.993  -5.429   5.562
   57    HA   CYS   7           HA       CYS   7  -2.548  -4.103   3.077
   58   1HB   CYS   7          2HB       CYS   7  -3.325  -6.957   3.656
   59   2HB   CYS   7          1HB       CYS   7  -2.606  -6.333   2.170
   60    H    ASP   8           H        ASP   8  -5.225  -5.019   4.966
   61    HA   ASP   8           HA       ASP   8  -7.253  -4.789   2.848
   62   1HB   ASP   8          2HB       ASP   8  -7.315  -6.737   4.414
   63   2HB   ASP   8          1HB       ASP   8  -7.491  -5.629   5.765
   64    H    LEU   9           H        LEU   9  -5.751  -2.337   3.790
   65    HA   LEU   9           HA       LEU   9  -7.412  -1.301   5.870
   66   1HB   LEU   9          2HB       LEU   9  -4.831  -1.672   6.229
   67   2HB   LEU   9          1HB       LEU   9  -4.640  -0.441   5.016
   68    HG   LEU   9           HG       LEU   9  -4.286   0.434   7.255
   69   1HD1  LEU   9          1HD1      LEU   9  -5.777   2.339   7.250
   70   2HD1  LEU   9          2HD1      LEU   9  -6.799   1.542   6.057
   71   3HD1  LEU   9          3HD1      LEU   9  -5.142   1.990   5.645
   72   1HD2  LEU   9          1HD2      LEU   9  -7.122  -0.395   7.799
   73   2HD2  LEU   9          2HD2      LEU   9  -6.123   0.588   8.868
   74   3HD2  LEU   9          3HD2      LEU   9  -5.664  -1.081   8.516
   75    HA   PRO  10           HA       PRO  10  -9.031   0.714   2.272
   76   1HB   PRO  10          2HB       PRO  10  -9.115   3.128   3.740
   77   2HB   PRO  10          1HB       PRO  10 -10.456   2.046   3.383
   78   1HG   PRO  10          2HG       PRO  10  -8.852   2.314   5.848
   79   2HG   PRO  10          1HG       PRO  10 -10.507   1.713   5.645
   80   1HD   PRO  10          2HD       PRO  10  -8.477   0.079   6.189
   81   2HD   PRO  10          1HD       PRO  10  -9.796  -0.414   5.101
   82    H    ALA  11           H        ALA  11  -8.221   1.813   0.903
   83    HA   ALA  11           HA       ALA  11  -5.616   3.243   0.910
   84   1HB   ALA  11          1HB       ALA  11  -7.654   2.577  -1.233
   85   2HB   ALA  11          2HB       ALA  11  -6.131   1.733  -0.980
   86   3HB   ALA  11          3HB       ALA  11  -6.129   3.414  -1.516
   87    H    ASP  12           H        ASP  12  -5.901   5.039   1.846
   88    HA   ASP  12           HA       ASP  12  -8.296   6.463   1.081
   89   1HB   ASP  12          2HB       ASP  12  -8.167   6.087   3.586
   90   2HB   ASP  12          1HB       ASP  12  -6.728   7.112   3.597
   91    H    SER  13           H        SER  13  -7.947   8.754   0.414
   92    HA   SER  13           HA       SER  13  -5.287   8.994  -0.854
   93   1HB   SER  13          2HB       SER  13  -7.887  10.470  -1.297
   94   2HB   SER  13          1HB       SER  13  -6.417  10.590  -2.276
   95    HG   SER  13           HG       SER  13  -6.751   8.165  -2.339
   96    H    GLY  14           H        GLY  14  -7.025  10.313   1.727
   97   1HA   GLY  14          2HA       GLY  14  -5.884  11.435   3.372
   98   2HA   GLY  14          1HA       GLY  14  -4.604  11.786   2.221
   99    H    SER  15           H        SER  15  -5.124  13.794   3.626
  100    HA   SER  15           HA       SER  15  -7.232  15.301   2.289
  101   1HB   SER  15          2HB       SER  15  -6.329  15.522   5.149
  102   2HB   SER  15          1HB       SER  15  -7.649  16.408   4.385
  103    HG   SER  15           HG       SER  15  -8.281  13.982   3.879
  104    H    GLY  16           H        GLY  16  -4.179  15.060   1.766
  105   1HA   GLY  16          2HA       GLY  16  -3.106  17.347   3.084
  106   2HA   GLY  16          1HA       GLY  16  -2.263  16.151   2.129
  107    H    THR  17           H        THR  17  -1.629  18.547   1.965
  108    HA   THR  17           HA       THR  17  -2.703  19.741  -0.560
  109    HB   THR  17           HB       THR  17  -2.480  21.196   1.484
  110    HG1  THR  17           1HG      THR  17  -1.845  21.693  -0.994
  111   1HG2  THR  17          1HG2      THR  17   0.479  20.751   1.030
  112   2HG2  THR  17          2HG2      THR  17  -0.444  20.217   2.437
  113   3HG2  THR  17          3HG2      THR  17  -0.214  21.937   2.138
  114    H    LYS  18           H        LYS  18  -0.284  17.522   0.141
  115    HA   LYS  18           HA       LYS  18   1.830  18.558  -1.688
  116   1HB   LYS  18          2HB       LYS  18   2.164  18.115   0.840
  117   2HB   LYS  18          1HB       LYS  18   1.694  16.470   0.477
  118   1HG   LYS  18          2HG       LYS  18   4.030  16.473   0.556
  119   2HG   LYS  18          1HG       LYS  18   3.636  16.432  -1.163
  120   1HD   LYS  18          2HD       LYS  18   5.451  18.017  -0.698
  121   2HD   LYS  18          1HD       LYS  18   4.018  18.851  -1.303
  122   1HE   LYS  18          2HE       LYS  18   5.072  20.043   0.602
  123   2HE   LYS  18          1HE       LYS  18   3.418  19.546   0.946
  124   1HZ   LYS  18          1HZ       LYS  18   4.264  17.691   2.239
  125   2HZ   LYS  18          2HZ       LYS  18   4.943  19.087   2.836
  126   3HZ   LYS  18          3HZ       LYS  18   5.837  18.058   1.822
  127    H    ALA  19           H        ALA  19   2.699  17.002  -2.975
  128    HA   ALA  19           HA       ALA  19   0.966  14.676  -3.628
  129   1HB   ALA  19          1HB       ALA  19   1.053  16.391  -5.439
  130   2HB   ALA  19          2HB       ALA  19   1.801  14.865  -5.909
  131   3HB   ALA  19          3HB       ALA  19   2.809  16.240  -5.451
  132    H    GLU  20           H        GLU  20   1.792  12.801  -3.117
  133    HA   GLU  20           HA       GLU  20   4.633  12.535  -3.316
  134   1HB   GLU  20          2HB       GLU  20   4.160  13.213  -1.033
  135   2HB   GLU  20          1HB       GLU  20   3.057  11.863  -0.839
  136   1HG   GLU  20          2HG       GLU  20   4.884  10.302  -1.043
  137   2HG   GLU  20          1HG       GLU  20   6.010  11.632  -1.337
  138    H    LYS  21           H        LYS  21   5.218  10.461  -3.867
  139    HA   LYS  21           HA       LYS  21   3.116   8.636  -4.916
  140   1HB   LYS  21          2HB       LYS  21   4.932   9.566  -6.388
  141   2HB   LYS  21          1HB       LYS  21   6.115   8.887  -5.299
  142   1HG   LYS  21          2HG       LYS  21   4.142   7.226  -6.876
  143   2HG   LYS  21          1HG       LYS  21   5.735   7.668  -7.475
  144   1HD   LYS  21          2HD       LYS  21   6.683   6.530  -5.417
  145   2HD   LYS  21          1HD       LYS  21   5.055   5.919  -5.115
  146   1HE   LYS  21          2HE       LYS  21   6.259   4.223  -6.275
  147   2HE   LYS  21          1HE       LYS  21   5.109   4.914  -7.416
  148   1HZ   LYS  21          1HZ       LYS  21   8.004   5.485  -7.234
  149   2HZ   LYS  21          2HZ       LYS  21   6.965   6.314  -8.283
  150   3HZ   LYS  21          3HZ       LYS  21   7.225   4.664  -8.485
  151    H    ARG  22           H        ARG  22   2.345   7.202  -3.387
  152    HA   ARG  22           HA       ARG  22   4.445   5.809  -2.023
  153   1HB   ARG  22          2HB       ARG  22   1.624   6.519  -1.382
  154   2HB   ARG  22          1HB       ARG  22   2.597   5.396  -0.456
  155   1HG   ARG  22          2HG       ARG  22   3.331   8.264  -0.933
  156   2HG   ARG  22          1HG       ARG  22   2.435   7.686   0.473
  157   1HD   ARG  22          2HD       ARG  22   4.349   6.092   0.859
  158   2HD   ARG  22          1HD       ARG  22   5.241   7.022  -0.349
  159    HE   ARG  22           HE       ARG  22   4.751   8.997   1.138
  160   1HH1  ARG  22          1HH1      ARG  22   4.968   5.751   2.449
  161   2HH1  ARG  22          2HH1      ARG  22   5.538   6.241   3.978
  162   1HH2  ARG  22          1HH2      ARG  22   5.390   9.702   3.123
  163   2HH2  ARG  22          2HH2      ARG  22   5.814   8.645   4.403
  164    H    ILE  23           H        ILE  23   3.369   3.458  -1.337
  165    HA   ILE  23           HA       ILE  23   1.599   2.639  -3.531
  166    HB   ILE  23           HB       ILE  23   3.963   2.049  -4.195
  167   1HG1  ILE  23          2HG1      ILE  23   2.382  -0.447  -3.574
  168   2HG1  ILE  23          1HG1      ILE  23   2.036   0.631  -4.921
  169   1HG2  ILE  23          1HG2      ILE  23   5.161   0.287  -3.041
  170   2HG2  ILE  23          2HG2      ILE  23   3.892   0.184  -1.848
  171   3HG2  ILE  23          3HG2      ILE  23   4.897   1.651  -1.935
  172   1HD1  ILE  23          1HD1      ILE  23   4.247   0.181  -5.852
  173   2HD1  ILE  23          2HD1      ILE  23   3.321  -1.306  -5.633
  174   3HD1  ILE  23          3HD1      ILE  23   4.604  -0.890  -4.497
  175    H    TYR  24           H        TYR  24   0.138   0.922  -2.966
  176    HA   TYR  24           HA       TYR  24   0.415  -0.056  -0.210
  177   1HB   TYR  24          2HB       TYR  24  -1.939   0.276   0.276
  178   2HB   TYR  24          1HB       TYR  24  -1.263   1.816  -0.206
  179    HD1  TYR  24           1HD      TYR  24  -3.517  -0.920  -1.157
  180    HD2  TYR  24           2HD      TYR  24  -2.135   2.945  -2.187
  181    HE1  TYR  24           1HE      TYR  24  -5.406  -0.681  -2.693
  182    HE2  TYR  24           2HE      TYR  24  -4.037   3.189  -3.748
  183    HH   TYR  24           HH       TYR  24  -5.599   1.907  -4.957
  184    H    TYR  25           H        TYR  25  -1.162  -2.092   0.126
  185    HA   TYR  25           HA       TYR  25  -0.824  -3.701  -2.060
  186   1HB   TYR  25          2HB       TYR  25  -0.504  -4.527   0.092
  187   2HB   TYR  25          1HB       TYR  25  -2.099  -4.008   0.624
  188    HD1  TYR  25           1HD      TYR  25  -0.439  -6.352  -1.781
  189    HD2  TYR  25           2HD      TYR  25  -3.863  -5.510   0.586
  190    HE1  TYR  25           1HE      TYR  25  -1.339  -8.593  -2.271
  191    HE2  TYR  25           2HE      TYR  25  -4.764  -7.729   0.103
  192    HH   TYR  25           HH       TYR  25  -2.897 -10.177  -1.207
  193    H    ASN  26           H        ASN  26  -2.499  -3.488  -3.767
  194    HA   ASN  26           HA       ASN  26  -5.247  -2.883  -2.989
  195   1HB   ASN  26          2HB       ASN  26  -4.284  -2.234  -5.256
  196   2HB   ASN  26          1HB       ASN  26  -4.270  -3.957  -5.638
  197   1HD2  ASN  26          1HD2      ASN  26  -6.249  -1.165  -5.091
  198   2HD2  ASN  26          2HD2      ASN  26  -7.735  -1.853  -5.594
  199    H    SER  27           H        SER  27  -6.590  -4.098  -2.405
  200    HA   SER  27           HA       SER  27  -5.747  -6.651  -1.783
  201   1HB   SER  27          2HB       SER  27  -8.456  -5.471  -1.179
  202   2HB   SER  27          1HB       SER  27  -7.943  -7.042  -0.576
  203    HG   SER  27           HG       SER  27  -6.133  -4.994  -0.122
  204    H    ALA  28           H        ALA  28  -8.132  -5.519  -4.045
  205    HA   ALA  28           HA       ALA  28  -9.405  -8.018  -4.599
  206   1HB   ALA  28          1HB       ALA  28  -9.362  -5.438  -6.152
  207   2HB   ALA  28          2HB       ALA  28 -10.552  -5.910  -4.941
  208   3HB   ALA  28          3HB       ALA  28 -10.442  -6.797  -6.458
  209    H    ARG  29           H        ARG  29  -6.973  -6.016  -6.010
  210    HA   ARG  29           HA       ARG  29  -6.509  -7.868  -8.193
  211   1HB   ARG  29          2HB       ARG  29  -5.159  -5.226  -7.608
  212   2HB   ARG  29          1HB       ARG  29  -4.536  -6.308  -8.842
  213   1HG   ARG  29          2HG       ARG  29  -5.903  -4.681  -9.933
  214   2HG   ARG  29          1HG       ARG  29  -6.770  -6.210  -9.965
  215   1HD   ARG  29          2HD       ARG  29  -8.019  -5.404  -7.922
  216   2HD   ARG  29          1HD       ARG  29  -7.283  -3.829  -8.189
  217    HE   ARG  29           HE       ARG  29  -8.670  -4.914 -10.463
  218   1HH1  ARG  29          1HH1      ARG  29  -8.921  -2.770  -7.645
  219   2HH1  ARG  29          2HH1      ARG  29 -10.411  -2.094  -8.122
  220   1HH2  ARG  29          1HH2      ARG  29 -10.685  -3.998 -11.083
  221   2HH2  ARG  29          2HH2      ARG  29 -11.457  -2.806 -10.153
  222    H    LYS  30           H        LYS  30  -5.595  -7.719  -5.129
  223    HA   LYS  30           HA       LYS  30  -3.939  -8.516  -3.734
  224   1HB   LYS  30          2HB       LYS  30  -5.110 -10.560  -4.563
  225   2HB   LYS  30          1HB       LYS  30  -3.938 -10.697  -5.858
  226   1HG   LYS  30          2HG       LYS  30  -2.191 -11.229  -4.284
  227   2HG   LYS  30          1HG       LYS  30  -3.267 -10.904  -2.922
  228   1HD   LYS  30          2HD       LYS  30  -4.717 -12.746  -3.662
  229   2HD   LYS  30          1HD       LYS  30  -3.594 -13.080  -4.981
  230   1HE   LYS  30          2HE       LYS  30  -1.836 -13.594  -3.383
  231   2HE   LYS  30          1HE       LYS  30  -2.909 -13.190  -2.045
  232   1HZ   LYS  30          1HZ       LYS  30  -2.760 -15.602  -2.437
  233   2HZ   LYS  30          2HZ       LYS  30  -3.422 -15.382  -3.993
  234   3HZ   LYS  30          3HZ       LYS  30  -4.326 -15.006  -2.626
  235    H    GLN  31           H        GLN  31  -3.118  -6.879  -5.320
  236    HA   GLN  31           HA       GLN  31  -0.060  -7.058  -5.644
  237   1HB   GLN  31          2HB       GLN  31   0.035  -6.358  -7.875
  238   2HB   GLN  31          1HB       GLN  31  -1.089  -7.704  -7.837
  239   1HG   GLN  31          2HG       GLN  31  -2.949  -6.048  -7.857
  240   2HG   GLN  31          1HG       GLN  31  -1.740  -4.784  -8.078
  241   1HE2  GLN  31          1HE2      GLN  31  -0.519  -4.772 -10.024
  242   2HE2  GLN  31          2HE2      GLN  31  -1.146  -5.556 -11.437
  243    H    CYS  32           H        CYS  32   1.310  -5.243  -5.445
  244    HA   CYS  32           HA       CYS  32   0.127  -3.315  -3.891
  245   1HB   CYS  32          2HB       CYS  32   2.780  -3.678  -5.227
  246   2HB   CYS  32          1HB       CYS  32   2.387  -2.414  -4.086
  247    H    LEU  33           H        LEU  33  -0.383  -1.225  -4.665
  248    HA   LEU  33           HA       LEU  33   0.656  -0.294  -7.204
  249   1HB   LEU  33          2HB       LEU  33  -1.539   0.323  -8.100
  250   2HB   LEU  33          1HB       LEU  33  -1.321  -1.403  -8.040
  251    HG   LEU  33           HG       LEU  33  -2.809  -1.385  -5.981
  252   1HD1  LEU  33          1HD1      LEU  33  -4.276   0.523  -5.687
  253   2HD1  LEU  33          2HD1      LEU  33  -3.411   1.411  -6.936
  254   3HD1  LEU  33          3HD1      LEU  33  -2.607   0.990  -5.427
  255   1HD2  LEU  33          1HD2      LEU  33  -3.572  -2.112  -8.154
  256   2HD2  LEU  33          2HD2      LEU  33  -3.913  -0.444  -8.613
  257   3HD2  LEU  33          3HD2      LEU  33  -4.840  -1.211  -7.323
  258    H    ARG  34           H        ARG  34   0.696   1.616  -7.585
  259    HA   ARG  34           HA       ARG  34   1.278   3.210  -5.289
  260   1HB   ARG  34          2HB       ARG  34   2.671   3.081  -7.313
  261   2HB   ARG  34          1HB       ARG  34   1.372   3.758  -8.257
  262   1HG   ARG  34          2HG       ARG  34   2.623   5.288  -5.985
  263   2HG   ARG  34          1HG       ARG  34   3.343   5.253  -7.587
  264   1HD   ARG  34          2HD       ARG  34   0.583   6.231  -6.889
  265   2HD   ARG  34          1HD       ARG  34   1.968   7.237  -7.266
  266    HE   ARG  34           HE       ARG  34   1.962   6.016  -9.486
  267   1HH1  ARG  34          1HH1      ARG  34  -0.953   6.647  -7.648
  268   2HH1  ARG  34          2HH1      ARG  34  -2.026   6.671  -8.956
  269   1HH2  ARG  34          1HH2      ARG  34   0.555   6.123 -11.365
  270   2HH2  ARG  34          2HH2      ARG  34  -1.136   6.320 -11.171
  271    H    PHE  35           H        PHE  35   0.352   4.965  -4.702
  272    HA   PHE  35           HA       PHE  35  -2.025   5.379  -5.948
  273   1HB   PHE  35          2HB       PHE  35  -3.364   5.994  -3.817
  274   2HB   PHE  35          1HB       PHE  35  -2.749   4.373  -4.022
  275    HD1  PHE  35           1HD      PHE  35  -0.379   3.965  -2.788
  276    HD2  PHE  35           2HD      PHE  35  -3.196   6.986  -1.782
  277    HE1  PHE  35           1HE      PHE  35   0.499   4.022  -0.496
  278    HE2  PHE  35           2HE      PHE  35  -2.310   7.058   0.501
  279    HZ   PHE  35           HZ       PHE  35  -0.461   5.570   1.152
  280    H    ASP  36           H        ASP  36  -2.847   8.143  -5.119
  281    HA   ASP  36           HA       ASP  36  -0.352   9.439  -4.888
  282   1HB   ASP  36          2HB       ASP  36  -2.873  10.148  -6.230
  283   2HB   ASP  36          1HB       ASP  36  -2.103  11.484  -5.379
  284    H    TYR  37           H        TYR  37  -0.027   9.224  -2.832
  285    HA   TYR  37           HA       TYR  37  -1.886   9.965  -0.756
  286   1HB   TYR  37          2HB       TYR  37  -0.161   8.185  -0.614
  287   2HB   TYR  37          1HB       TYR  37   1.082   9.374  -0.855
  288    HD1  TYR  37           1HD      TYR  37  -1.813   8.822   1.495
  289    HD2  TYR  37           2HD      TYR  37   2.247  10.008   1.051
  290    HE1  TYR  37           1HE      TYR  37  -1.616   9.045   3.940
  291    HE2  TYR  37           2HE      TYR  37   2.449  10.245   3.483
  292    HH   TYR  37           HH       TYR  37   1.154  10.511   5.432
  293    H    THR  38           H        THR  38  -2.077  12.115   0.117
  294    HA   THR  38           HA       THR  38  -0.625  13.954  -1.439
  295    HB   THR  38           HB       THR  38  -2.475  15.467  -0.493
  296    HG1  THR  38           1HG      THR  38  -3.955  13.163  -0.012
  297   1HG2  THR  38          1HG2      THR  38  -2.534  14.506  -2.760
  298   2HG2  THR  38          2HG2      THR  38  -4.144  14.514  -2.039
  299   3HG2  THR  38          3HG2      THR  38  -3.211  13.016  -2.109
  300    H    GLY  39           H        GLY  39   0.701  12.734   0.692
  301   1HA   GLY  39          2HA       GLY  39   2.086  13.148   2.429
  302   2HA   GLY  39          1HA       GLY  39   1.818  14.828   2.059
  303    H    GLN  40           H        GLN  40  -1.274  14.347   3.068
  304    HA   GLN  40           HA       GLN  40  -0.396  14.146   5.756
  305   1HB   GLN  40          2HB       GLN  40  -0.398  16.515   5.254
  306   2HB   GLN  40          1HB       GLN  40  -2.052  16.419   4.662
  307   1HG   GLN  40          2HG       GLN  40  -2.820  15.826   6.892
  308   2HG   GLN  40          1HG       GLN  40  -1.165  15.903   7.488
  309   1HE2  GLN  40          1HE2      GLN  40  -3.559  17.355   8.195
  310   2HE2  GLN  40          2HE2      GLN  40  -3.197  19.039   8.061
  311    H    GLY  41           H        GLY  41  -2.094  12.922   6.985
  312   1HA   GLY  41          2HA       GLY  41  -4.324  12.653   7.522
  313   2HA   GLY  41          1HA       GLY  41  -4.755  13.521   6.068
  314    H    GLY  42           H        GLY  42  -2.883  10.478   6.419
  315   1HA   GLY  42          2HA       GLY  42  -4.727   9.485   4.367
  316   2HA   GLY  42          1HA       GLY  42  -3.048   9.012   4.533
  317    H    ASN  43           H        ASN  43  -3.453   6.899   4.518
  318    HA   ASN  43           HA       ASN  43  -5.015   5.547   6.605
  319   1HB   ASN  43          2HB       ASN  43  -5.270   3.877   4.873
  320   2HB   ASN  43          1HB       ASN  43  -5.906   5.379   4.226
  321   1HD2  ASN  43          1HD2      ASN  43  -4.890   3.022   2.836
  322   2HD2  ASN  43          2HD2      ASN  43  -3.536   3.557   1.876
  323    H    GLU  44           H        GLU  44  -4.021   3.655   7.248
  324    HA   GLU  44           HA       GLU  44  -1.262   3.996   7.760
  325   1HB   GLU  44          2HB       GLU  44  -3.191   1.781   8.379
  326   2HB   GLU  44          1HB       GLU  44  -1.586   1.995   9.074
  327   1HG   GLU  44          2HG       GLU  44  -3.918   3.866   9.385
  328   2HG   GLU  44          1HG       GLU  44  -3.274   2.771  10.608
  329    H    ASN  45           H        ASN  45  -3.112   2.272   5.389
  330    HA   ASN  45           HA       ASN  45  -0.975   0.435   4.622
  331   1HB   ASN  45          2HB       ASN  45  -3.421  -0.172   4.369
  332   2HB   ASN  45          1HB       ASN  45  -3.626   1.206   3.312
  333   1HD2  ASN  45          1HD2      ASN  45  -4.518  -0.357   1.887
  334   2HD2  ASN  45          2HD2      ASN  45  -3.504  -1.324   0.879
  335    H    ASN  46           H        ASN  46   0.593   1.837   4.506
  336    HA   ASN  46           HA       ASN  46   0.712   3.463   2.110
  337   1HB   ASN  46          2HB       ASN  46  -0.024   4.963   3.881
  338   2HB   ASN  46          1HB       ASN  46   1.268   4.396   4.932
  339   1HD2  ASN  46          1HD2      ASN  46   2.044   6.471   5.182
  340   2HD2  ASN  46          2HD2      ASN  46   2.890   7.305   3.924
  341    H    PHE  47           H        PHE  47   2.505   2.699   1.086
  342    HA   PHE  47           HA       PHE  47   4.788   2.106   2.781
  343   1HB   PHE  47          2HB       PHE  47   4.023   0.679   0.216
  344   2HB   PHE  47          1HB       PHE  47   5.457   0.333   1.184
  345    HD1  PHE  47           1HD      PHE  47   2.049  -0.467   0.636
  346    HD2  PHE  47           2HD      PHE  47   5.034  -0.295   3.659
  347    HE1  PHE  47           1HE      PHE  47   0.707  -1.968   2.039
  348    HE2  PHE  47           2HE      PHE  47   3.699  -1.801   5.062
  349    HZ   PHE  47           HZ       PHE  47   1.529  -2.637   4.253
  350    H    ARG  48           H        ARG  48   6.807   2.774   1.860
  351    HA   ARG  48           HA       ARG  48   6.635   4.881  -0.236
  352   1HB   ARG  48          2HB       ARG  48   7.659   5.408   1.998
  353   2HB   ARG  48          1HB       ARG  48   8.883   4.195   1.662
  354   1HG   ARG  48          2HG       ARG  48   9.981   6.114   1.018
  355   2HG   ARG  48          1HG       ARG  48   9.272   5.610  -0.513
  356   1HD   ARG  48          2HD       ARG  48   8.867   7.975  -0.308
  357   2HD   ARG  48          1HD       ARG  48   7.336   7.195   0.011
  358    HE   ARG  48           HE       ARG  48   8.116   7.339   2.454
  359   1HH1  ARG  48          1HH1      ARG  48   8.643   9.853  -0.014
  360   2HH1  ARG  48          2HH1      ARG  48   8.766  11.103   1.150
  361   1HH2  ARG  48          1HH2      ARG  48   8.311   9.030   3.966
  362   2HH2  ARG  48          2HH2      ARG  48   8.648  10.626   3.478
  363    H    ARG  49           H        ARG  49   7.504   1.508   0.124
  364    HA   ARG  49           HA       ARG  49   9.117   1.787  -2.213
  365   1HB   ARG  49          2HB       ARG  49  10.549   1.872  -0.210
  366   2HB   ARG  49          1HB       ARG  49   9.872   0.358   0.342
  367   1HG   ARG  49          2HG       ARG  49  10.834  -0.737  -1.657
  368   2HG   ARG  49          1HG       ARG  49  11.609   0.797  -2.067
  369   1HD   ARG  49          2HD       ARG  49  12.015  -0.795   0.461
  370   2HD   ARG  49          1HD       ARG  49  13.153  -0.653  -0.875
  371    HE   ARG  49           HE       ARG  49  13.357   1.727  -0.297
  372   1HH1  ARG  49          1HH1      ARG  49  11.727  -0.230   2.171
  373   2HH1  ARG  49          2HH1      ARG  49  12.497   0.489   3.494
  374   1HH2  ARG  49          1HH2      ARG  49  14.400   2.815   1.585
  375   2HH2  ARG  49          2HH2      ARG  49  14.015   2.229   3.150
  376    H    THR  50           H        THR  50   9.111  -0.229  -3.388
  377    HA   THR  50           HA       THR  50   6.650  -1.624  -3.271
  378    HB   THR  50           HB       THR  50   9.028  -2.197  -5.058
  379    HG1  THR  50           1HG      THR  50   8.452   0.000  -5.167
  380   1HG2  THR  50          1HG2      THR  50   6.047  -2.605  -5.449
  381   2HG2  THR  50          2HG2      THR  50   7.228  -3.883  -5.143
  382   3HG2  THR  50          3HG2      THR  50   7.303  -2.950  -6.640
  383    H    TYR  51           H        TYR  51   9.971  -2.533  -2.461
  384    HA   TYR  51           HA       TYR  51   9.519  -5.271  -2.078
  385   1HB   TYR  51          2HB       TYR  51  11.780  -4.403  -2.138
  386   2HB   TYR  51          1HB       TYR  51  11.484  -3.401  -0.725
  387    HD1  TYR  51           1HD      TYR  51  11.499  -6.967  -1.783
  388    HD2  TYR  51           2HD      TYR  51  12.224  -4.167   1.324
  389    HE1  TYR  51           1HE      TYR  51  12.397  -8.762  -0.385
  390    HE2  TYR  51           2HE      TYR  51  13.126  -5.963   2.736
  391    HH   TYR  51           HH       TYR  51  13.867  -9.061   1.487
  392    H    ASP  52           H        ASP  52   9.287  -2.498   0.020
  393    HA   ASP  52           HA       ASP  52   8.616  -3.849   2.411
  394   1HB   ASP  52          2HB       ASP  52   7.880  -1.083   1.491
  395   2HB   ASP  52          1HB       ASP  52   7.473  -1.700   3.088
  396    H    CYS  53           H        CYS  53   6.409  -2.584  -0.048
  397    HA   CYS  53           HA       CYS  53   4.090  -3.475   1.309
  398   1HB   CYS  53          2HB       CYS  53   2.862  -3.112  -0.648
  399   2HB   CYS  53          1HB       CYS  53   4.128  -1.904  -0.643
  400    H    GLN  54           H        GLN  54   5.828  -4.780  -1.111
  401    HA   GLN  54           HA       GLN  54   4.741  -7.316  -1.591
  402   1HB   GLN  54          2HB       GLN  54   6.342  -6.507  -3.182
  403   2HB   GLN  54          1HB       GLN  54   7.664  -6.722  -2.038
  404   1HG   GLN  54          2HG       GLN  54   7.428  -9.100  -2.139
  405   2HG   GLN  54          1HG       GLN  54   5.969  -8.955  -3.113
  406   1HE2  GLN  54          1HE2      GLN  54   8.806  -6.939  -3.672
  407   2HE2  GLN  54          2HE2      GLN  54   9.226  -7.698  -5.161
  408    H    ARG  55           H        ARG  55   7.354  -6.704   0.504
  409    HA   ARG  55           HA       ARG  55   7.653  -9.366   1.637
  410   1HB   ARG  55          2HB       ARG  55   9.430  -7.630   1.797
  411   2HB   ARG  55          1HB       ARG  55   8.348  -6.630   2.747
  412   1HG   ARG  55          2HG       ARG  55   8.367  -8.343   4.511
  413   2HG   ARG  55          1HG       ARG  55   9.525  -9.272   3.549
  414   1HD   ARG  55          2HD       ARG  55  11.082  -7.406   3.591
  415   2HD   ARG  55          1HD       ARG  55   9.938  -6.449   4.512
  416    HE   ARG  55           HE       ARG  55  10.666  -8.964   5.720
  417   1HH1  ARG  55          1HH1      ARG  55  11.252  -5.477   5.605
  418   2HH1  ARG  55          2HH1      ARG  55  12.170  -5.434   7.040
  419   1HH2  ARG  55          1HH2      ARG  55  11.986  -8.916   7.700
  420   2HH2  ARG  55          2HH2      ARG  55  12.605  -7.415   8.218
  421    H    THR  56           H        THR  56   5.740  -6.414   2.794
  422    HA   THR  56           HA       THR  56   4.944  -8.082   4.817
  423    HB   THR  56           HB       THR  56   5.133  -5.710   5.243
  424    HG1  THR  56           1HG      THR  56   2.367  -6.215   5.539
  425   1HG2  THR  56          1HG2      THR  56   2.730  -5.380   3.450
  426   2HG2  THR  56          2HG2      THR  56   4.369  -4.830   3.102
  427   3HG2  THR  56          3HG2      THR  56   3.462  -4.115   4.432
  428    H    CYS  57           H        CYS  57   3.151  -7.144   1.821
  429    HA   CYS  57           HA       CYS  57   0.746  -8.503   2.774
  430   1HB   CYS  57          2HB       CYS  57   1.066  -6.518   0.520
  431   2HB   CYS  57          1HB       CYS  57  -0.414  -7.281   1.051
  432    H    LEU  58           H        LEU  58   2.999  -9.855   1.188
  433    HA   LEU  58           HA       LEU  58   1.543 -10.376  -1.218
  434   1HB   LEU  58          2HB       LEU  58   2.949  -8.399  -1.957
  435   2HB   LEU  58          1HB       LEU  58   4.374  -9.322  -1.587
  436    HG   LEU  58           HG       LEU  58   3.917  -9.088  -3.994
  437   1HD1  LEU  58          1HD1      LEU  58   3.827 -11.934  -3.049
  438   2HD1  LEU  58          2HD1      LEU  58   5.266 -10.948  -3.304
  439   3HD1  LEU  58          3HD1      LEU  58   4.256 -11.400  -4.675
  440   1HD2  LEU  58          1HD2      LEU  58   2.098 -10.365  -5.033
  441   2HD2  LEU  58          2HD2      LEU  58   1.512  -9.080  -3.977
  442   3HD2  LEU  58          3HD2      LEU  58   1.483 -10.759  -3.427
  443    H    TYR  59           H        TYR  59   4.346 -10.896   0.705
  444    HA   TYR  59           HA       TYR  59   4.275 -13.716   0.000
  445   1HB   TYR  59          2HB       TYR  59   6.202 -12.162   1.741
  446   2HB   TYR  59          1HB       TYR  59   6.293 -13.894   1.449
  447    HD1  TYR  59           1HD      TYR  59   7.717 -10.906   0.576
  448    HD2  TYR  59           2HD      TYR  59   6.125 -14.407  -1.244
  449    HE1  TYR  59           1HE      TYR  59   9.091 -10.490  -1.424
  450    HE2  TYR  59           2HE      TYR  59   7.492 -13.998  -3.247
  451    HH   TYR  59           HH       TYR  59  10.035 -11.813  -3.246
  452    H    THR  60           H        THR  60   2.409 -14.544   0.971
  453    HA   THR  60           HA       THR  60   2.370 -14.151   3.783
  454    HB   THR  60           HB       THR  60   0.493 -12.905   2.935
  455    HG1  THR  60           1HG      THR  60   0.163 -14.781   4.612
  456   1HG2  THR  60          1HG2      THR  60  -1.260 -13.857   1.473
  457   2HG2  THR  60          2HG2      THR  60  -0.313 -15.337   1.325
  458   3HG2  THR  60          3HG2      THR  60   0.314 -13.823   0.675
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1  -3.450 -16.275  10.471
    2   2H    LYS   1          2HT       LYS   1  -3.871 -17.189   9.117
    3   3H    LYS   1          3HT       LYS   1  -5.071 -16.436  10.011
    4    HA   LYS   1           HA       LYS   1  -4.296 -14.278   9.397
    5   1HB   LYS   1          2HB       LYS   1  -2.097 -15.816   8.117
    6   2HB   LYS   1          1HB       LYS   1  -2.623 -14.284   7.422
    7   1HG   LYS   1          2HG       LYS   1  -1.627 -14.734  10.233
    8   2HG   LYS   1          1HG       LYS   1  -0.784 -13.885   8.928
    9   1HD   LYS   1          2HD       LYS   1  -2.587 -12.222   8.844
   10   2HD   LYS   1          1HD       LYS   1  -3.426 -13.062  10.147
   11   1HE   LYS   1          2HE       LYS   1  -1.452 -12.627  11.600
   12   2HE   LYS   1          1HE       LYS   1  -0.758 -11.669  10.291
   13   1HZ   LYS   1          1HZ       LYS   1  -2.747 -10.227  10.405
   14   2HZ   LYS   1          2HZ       LYS   1  -1.887 -10.222  11.845
   15   3HZ   LYS   1          3HZ       LYS   1  -3.315 -11.113  11.709
   16    H    ASP   2           H        ASP   2  -5.891 -13.661   8.514
   17    HA   ASP   2           HA       ASP   2  -6.658 -14.562   5.818
   18   1HB   ASP   2          2HB       ASP   2  -8.291 -15.381   7.455
   19   2HB   ASP   2          1HB       ASP   2  -8.454 -13.760   8.119
   20    H    ARG   3           H        ARG   3  -5.840 -12.829   4.734
   21    HA   ARG   3           HA       ARG   3  -5.402 -10.802   3.987
   22   1HB   ARG   3          2HB       ARG   3  -7.571  -9.870   5.886
   23   2HB   ARG   3          1HB       ARG   3  -6.617  -8.731   4.954
   24   1HG   ARG   3          2HG       ARG   3  -8.530  -8.975   3.697
   25   2HG   ARG   3          1HG       ARG   3  -7.402 -10.079   2.917
   26   1HD   ARG   3          2HD       ARG   3  -9.552 -11.130   3.092
   27   2HD   ARG   3          1HD       ARG   3  -8.432 -11.936   4.190
   28    HE   ARG   3           HE       ARG   3  -9.717 -11.332   5.915
   29   1HH1  ARG   3          1HH1      ARG   3 -10.724  -9.338   3.124
   30   2HH1  ARG   3          2HH1      ARG   3 -11.909  -8.471   3.966
   31   1HH2  ARG   3          1HH2      ARG   3 -11.379 -10.131   7.084
   32   2HH2  ARG   3          2HH2      ARG   3 -12.314  -8.964   6.265
   33    HA   PRO   4           HA       PRO   4  -1.891  -9.952   6.262
   34   1HB   PRO   4          2HB       PRO   4  -2.056  -7.282   4.896
   35   2HB   PRO   4          1HB       PRO   4  -0.668  -8.375   5.044
   36   1HG   PRO   4          2HG       PRO   4  -2.031  -8.256   2.794
   37   2HG   PRO   4          1HG       PRO   4  -1.521  -9.837   3.437
   38   1HD   PRO   4          2HD       PRO   4  -4.223  -8.554   3.489
   39   2HD   PRO   4          1HD       PRO   4  -3.789 -10.254   3.236
   40    H    SER   5           H        SER   5  -1.249  -9.069   8.078
   41    HA   SER   5           HA       SER   5  -2.642  -7.844   9.843
   42   1HB   SER   5          2HB       SER   5   0.260  -7.189   9.430
   43   2HB   SER   5          1HB       SER   5  -0.609  -7.100  10.966
   44    HG   SER   5           HG       SER   5   0.378  -9.033  10.904
   45    H    LEU   6           H        LEU   6  -0.472  -6.201   7.587
   46    HA   LEU   6           HA       LEU   6  -1.874  -3.764   8.254
   47   1HB   LEU   6          2HB       LEU   6   0.141  -2.459   7.463
   48   2HB   LEU   6          1HB       LEU   6   0.243  -3.318   8.976
   49    HG   LEU   6           HG       LEU   6   1.537  -5.105   7.737
   50   1HD1  LEU   6          1HD1      LEU   6   0.869  -4.554   5.487
   51   2HD1  LEU   6          2HD1      LEU   6   2.622  -4.417   5.667
   52   3HD1  LEU   6          3HD1      LEU   6   1.619  -2.965   5.637
   53   1HD2  LEU   6          1HD2      LEU   6   2.581  -3.484   9.206
   54   2HD2  LEU   6          2HD2      LEU   6   2.680  -2.325   7.880
   55   3HD2  LEU   6          3HD2      LEU   6   3.612  -3.823   7.818
   56    H    CYS   7           H        CYS   7  -1.819  -5.863   5.913
   57    HA   CYS   7           HA       CYS   7  -2.793  -3.752   4.204
   58   1HB   CYS   7          2HB       CYS   7  -1.299  -6.147   3.127
   59   2HB   CYS   7          1HB       CYS   7  -2.326  -5.161   2.088
   60    H    ASP   8           H        ASP   8  -4.196  -5.060   6.021
   61    HA   ASP   8           HA       ASP   8  -6.637  -5.539   4.428
   62   1HB   ASP   8          2HB       ASP   8  -6.144  -6.996   6.457
   63   2HB   ASP   8          1HB       ASP   8  -6.174  -5.550   7.451
   64    H    LEU   9           H        LEU   9  -5.186  -3.136   4.266
   65    HA   LEU   9           HA       LEU   9  -5.421  -1.267   6.326
   66   1HB   LEU   9          2HB       LEU   9  -4.050   0.023   4.922
   67   2HB   LEU   9          1HB       LEU   9  -3.487  -1.625   4.758
   68    HG   LEU   9           HG       LEU   9  -5.367  -0.402   2.717
   69   1HD1  LEU   9          1HD1      LEU   9  -3.453   1.043   2.824
   70   2HD1  LEU   9          2HD1      LEU   9  -3.446   0.106   1.331
   71   3HD1  LEU   9          3HD1      LEU   9  -2.376  -0.340   2.661
   72   1HD2  LEU   9          1HD2      LEU   9  -4.421  -2.066   1.208
   73   2HD2  LEU   9          2HD2      LEU   9  -5.106  -2.839   2.637
   74   3HD2  LEU   9          3HD2      LEU   9  -3.361  -2.640   2.491
   75    HA   PRO  10           HA       PRO  10  -8.661   0.831   4.215
   76   1HB   PRO  10          2HB       PRO  10  -7.639   3.354   5.310
   77   2HB   PRO  10          1HB       PRO  10  -9.178   2.552   5.634
   78   1HG   PRO  10          2HG       PRO  10  -7.178   2.714   7.466
   79   2HG   PRO  10          1HG       PRO  10  -8.342   1.376   7.412
   80   1HD   PRO  10          2HD       PRO  10  -5.536   1.491   6.397
   81   2HD   PRO  10          1HD       PRO  10  -6.392   0.163   7.214
   82    H    ALA  11           H        ALA  11  -8.167   0.808   2.132
   83    HA   ALA  11           HA       ALA  11  -5.722   2.155   0.906
   84   1HB   ALA  11          1HB       ALA  11  -8.317   0.989  -0.280
   85   2HB   ALA  11          2HB       ALA  11  -6.743   0.192  -0.366
   86   3HB   ALA  11          3HB       ALA  11  -7.015   1.698  -1.237
   87    H    ASP  12           H        ASP  12  -5.700   3.908   1.721
   88    HA   ASP  12           HA       ASP  12  -7.870   5.789   1.138
   89   1HB   ASP  12          2HB       ASP  12  -8.056   5.296   3.537
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.699   3.753
   91    H    SER  13           H        SER  13  -7.582   7.706   0.410
   92    HA   SER  13           HA       SER  13  -4.895   8.093  -0.769
   93   1HB   SER  13          2HB       SER  13  -6.082   9.601  -2.261
   94   2HB   SER  13          1HB       SER  13  -6.805   7.991  -2.295
   95    HG   SER  13           HG       SER  13  -7.762  10.383  -1.404
   96    H    GLY  14           H        GLY  14  -6.798   9.471   1.708
   97   1HA   GLY  14          2HA       GLY  14  -5.796  10.853   3.301
   98   2HA   GLY  14          1HA       GLY  14  -4.539  11.234   2.141
   99    H    SER  15           H        SER  15  -5.401  13.269   3.529
  100    HA   SER  15           HA       SER  15  -7.590  14.619   2.081
  101   1HB   SER  15          2HB       SER  15  -6.825  14.841   4.994
  102   2HB   SER  15          1HB       SER  15  -8.144  15.679   4.185
  103    HG   SER  15           HG       SER  15  -8.646  13.274   3.593
  104    H    GLY  16           H        GLY  16  -4.545  14.635   1.710
  105   1HA   GLY  16          2HA       GLY  16  -3.637  16.989   3.079
  106   2HA   GLY  16          1HA       GLY  16  -2.688  15.877   2.123
  107    H    THR  17           H        THR  17  -2.107  18.175   1.897
  108    HA   THR  17           HA       THR  17  -3.303  19.550  -0.527
  109    HB   THR  17           HB       THR  17  -2.946  20.877   1.653
  110    HG1  THR  17           1HG      THR  17  -1.872  22.604   0.477
  111   1HG2  THR  17          1HG2      THR  17  -0.657  21.656   2.093
  112   2HG2  THR  17          2HG2      THR  17  -0.048  20.578   0.837
  113   3HG2  THR  17          3HG2      THR  17  -0.780  19.906   2.296
  114    H    LYS  18           H        LYS  18  -0.792  17.347   0.115
  115    HA   LYS  18           HA       LYS  18   1.211  18.402  -1.775
  116   1HB   LYS  18          2HB       LYS  18   1.809  17.923   0.612
  117   2HB   LYS  18          1HB       LYS  18   1.054  16.356   0.466
  118   1HG   LYS  18          2HG       LYS  18   2.764  15.818  -1.308
  119   2HG   LYS  18          1HG       LYS  18   3.569  17.327  -0.873
  120   1HD   LYS  18          2HD       LYS  18   3.883  16.559   1.394
  121   2HD   LYS  18          1HD       LYS  18   2.947  15.097   1.063
  122   1HE   LYS  18          2HE       LYS  18   4.644  14.449  -0.614
  123   2HE   LYS  18          1HE       LYS  18   5.589  15.868  -0.168
  124   1HZ   LYS  18          1HZ       LYS  18   5.943  14.986   2.011
  125   2HZ   LYS  18          2HZ       LYS  18   6.299  13.747   0.922
  126   3HZ   LYS  18          3HZ       LYS  18   4.856  13.725   1.776
  127    H    ALA  19           H        ALA  19   1.956  16.879  -3.172
  128    HA   ALA  19           HA       ALA  19   0.267  14.483  -3.669
  129   1HB   ALA  19          1HB       ALA  19   0.153  16.119  -5.525
  130   2HB   ALA  19          2HB       ALA  19   0.967  14.632  -6.001
  131   3HB   ALA  19          3HB       ALA  19   1.910  16.079  -5.641
  132    H    GLU  20           H        GLU  20   1.221  12.659  -3.289
  133    HA   GLU  20           HA       GLU  20   4.112  12.620  -3.313
  134   1HB   GLU  20          2HB       GLU  20   3.431  13.186  -1.066
  135   2HB   GLU  20          1HB       GLU  20   2.345  11.805  -1.017
  136   1HG   GLU  20          2HG       GLU  20   4.274  11.305   0.247
  137   2HG   GLU  20          1HG       GLU  20   4.305  10.334  -1.221
  138    H    LYS  21           H        LYS  21   4.860  10.665  -4.094
  139    HA   LYS  21           HA       LYS  21   2.896   8.733  -5.118
  140   1HB   LYS  21          2HB       LYS  21   4.540   9.905  -6.663
  141   2HB   LYS  21          1HB       LYS  21   5.835   9.284  -5.677
  142   1HG   LYS  21          2HG       LYS  21   3.923   7.479  -7.163
  143   2HG   LYS  21          1HG       LYS  21   5.360   8.153  -7.918
  144   1HD   LYS  21          2HD       LYS  21   6.712   7.054  -6.093
  145   2HD   LYS  21          1HD       LYS  21   5.226   6.265  -5.561
  146   1HE   LYS  21          2HE       LYS  21   6.504   4.762  -6.991
  147   2HE   LYS  21          1HE       LYS  21   5.001   5.228  -7.788
  148   1HZ   LYS  21          1HZ       LYS  21   7.669   6.427  -8.323
  149   2HZ   LYS  21          2HZ       LYS  21   6.245   6.836  -9.123
  150   3HZ   LYS  21          3HZ       LYS  21   6.902   5.311  -9.325
  151    H    ARG  22           H        ARG  22   2.327   7.312  -3.569
  152    HA   ARG  22           HA       ARG  22   4.637   6.182  -2.429
  153   1HB   ARG  22          2HB       ARG  22   1.881   6.604  -1.342
  154   2HB   ARG  22          1HB       ARG  22   3.086   5.611  -0.534
  155   1HG   ARG  22          2HG       ARG  22   3.488   8.506  -1.266
  156   2HG   ARG  22          1HG       ARG  22   2.928   7.942   0.309
  157   1HD   ARG  22          2HD       ARG  22   4.984   6.782   0.698
  158   2HD   ARG  22          1HD       ARG  22   5.526   7.079  -0.957
  159    HE   ARG  22           HE       ARG  22   5.661   9.414  -0.403
  160   1HH1  ARG  22          1HH1      ARG  22   5.380   7.307   2.453
  161   2HH1  ARG  22          2HH1      ARG  22   6.195   8.394   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.732  10.909   1.026
  163   2HH2  ARG  22          2HH2      ARG  22   7.021  10.482   2.629
  164    H    ILE  23           H        ILE  23   3.575   3.652  -1.508
  165    HA   ILE  23           HA       ILE  23   1.743   2.806  -3.597
  166    HB   ILE  23           HB       ILE  23   4.051   2.217  -4.399
  167   1HG1  ILE  23          2HG1      ILE  23   2.529  -0.257  -3.586
  168   2HG1  ILE  23          1HG1      ILE  23   2.126   0.756  -4.972
  169   1HG2  ILE  23          1HG2      ILE  23   4.191   0.518  -1.933
  170   2HG2  ILE  23          2HG2      ILE  23   5.210   1.928  -2.285
  171   3HG2  ILE  23          3HG2      ILE  23   5.325   0.457  -3.268
  172   1HD1  ILE  23          1HD1      ILE  23   3.368  -1.225  -5.650
  173   2HD1  ILE  23          2HD1      ILE  23   4.697  -0.765  -4.584
  174   3HD1  ILE  23          3HD1      ILE  23   4.290   0.246  -5.975
  175    H    TYR  24           H        TYR  24   0.376   1.064  -2.927
  176    HA   TYR  24           HA       TYR  24   0.910  -0.096  -0.382
  177   1HB   TYR  24          2HB       TYR  24  -1.339   0.313   0.563
  178   2HB   TYR  24          1HB       TYR  24  -0.448   1.792   0.351
  179    HD1  TYR  24           1HD      TYR  24  -2.540   2.978   0.733
  180    HD2  TYR  24           2HD      TYR  24  -2.149   0.382  -2.612
  181    HE1  TYR  24           1HE      TYR  24  -4.541   3.974  -0.261
  182    HE2  TYR  24           2HE      TYR  24  -4.155   1.386  -3.621
  183    HH   TYR  24           HH       TYR  24  -5.540   4.268  -2.547
  184    H    TYR  25           H        TYR  25  -1.012  -1.885   0.044
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.423  -2.175
  186   1HB   TYR  25          2HB       TYR  25  -0.365  -4.113   0.054
  187   2HB   TYR  25          1HB       TYR  25  -2.048  -3.814   0.431
  188    HD1  TYR  25           1HD      TYR  25   0.109  -5.844  -1.815
  189    HD2  TYR  25           2HD      TYR  25  -3.526  -5.600   0.372
  190    HE1  TYR  25           1HE      TYR  25  -0.312  -8.220  -2.258
  191    HE2  TYR  25           2HE      TYR  25  -3.962  -7.971  -0.078
  192    HH   TYR  25           HH       TYR  25  -1.557 -10.038  -1.273
  193    H    ASN  26           H        ASN  26  -2.368  -4.035  -3.620
  194    HA   ASN  26           HA       ASN  26  -5.126  -3.188  -3.062
  195   1HB   ASN  26          2HB       ASN  26  -4.168  -2.465  -5.257
  196   2HB   ASN  26          1HB       ASN  26  -3.858  -4.155  -5.643
  197   1HD2  ASN  26          1HD2      ASN  26  -6.293  -1.680  -5.313
  198   2HD2  ASN  26          2HD2      ASN  26  -7.561  -2.581  -6.041
  199    H    SER  27           H        SER  27  -6.425  -4.510  -2.590
  200    HA   SER  27           HA       SER  27  -5.407  -6.984  -1.863
  201   1HB   SER  27          2HB       SER  27  -8.266  -6.112  -1.429
  202   2HB   SER  27          1HB       SER  27  -7.524  -7.522  -0.670
  203    HG   SER  27           HG       SER  27  -6.485  -6.309   0.643
  204    H    ALA  28           H        ALA  28  -7.771  -6.053  -4.263
  205    HA   ALA  28           HA       ALA  28  -8.858  -8.637  -4.754
  206   1HB   ALA  28          1HB       ALA  28  -9.948  -7.544  -6.658
  207   2HB   ALA  28          2HB       ALA  28  -8.963  -6.108  -6.383
  208   3HB   ALA  28          3HB       ALA  28 -10.131  -6.622  -5.164
  209    H    ARG  29           H        ARG  29  -6.562  -6.556  -6.218
  210    HA   ARG  29           HA       ARG  29  -5.836  -8.427  -8.358
  211   1HB   ARG  29          2HB       ARG  29  -4.627  -5.783  -7.609
  212   2HB   ARG  29          1HB       ARG  29  -3.817  -6.853  -8.726
  213   1HG   ARG  29          2HG       ARG  29  -4.993  -5.131  -9.911
  214   2HG   ARG  29          1HG       ARG  29  -5.746  -6.687 -10.242
  215   1HD   ARG  29          2HD       ARG  29  -7.641  -6.152  -9.046
  216   2HD   ARG  29          1HD       ARG  29  -6.807  -4.932  -8.075
  217    HE   ARG  29           HE       ARG  29  -6.638  -4.049 -10.629
  218   1HH1  ARG  29          1HH1      ARG  29  -9.419  -5.056  -8.750
  219   2HH1  ARG  29          2HH1      ARG  29 -10.391  -3.698  -9.103
  220   1HH2  ARG  29          1HH2      ARG  29  -7.976  -2.244 -11.276
  221   2HH2  ARG  29          2HH2      ARG  29  -9.529  -2.047 -10.625
  222    H    LYS  30           H        LYS  30  -5.074  -8.154  -5.184
  223    HA   LYS  30           HA       LYS  30  -3.380  -8.721  -3.759
  224   1HB   LYS  30          2HB       LYS  30  -4.172 -10.959  -4.460
  225   2HB   LYS  30          1HB       LYS  30  -3.086 -10.933  -5.835
  226   1HG   LYS  30          2HG       LYS  30  -1.167 -11.071  -4.350
  227   2HG   LYS  30          1HG       LYS  30  -2.229 -10.990  -2.944
  228   1HD   LYS  30          2HD       LYS  30  -3.198 -13.108  -3.486
  229   2HD   LYS  30          1HD       LYS  30  -2.357 -13.152  -5.038
  230   1HE   LYS  30          2HE       LYS  30  -0.221 -13.275  -3.915
  231   2HE   LYS  30          1HE       LYS  30  -1.006 -13.134  -2.344
  232   1HZ   LYS  30          1HZ       LYS  30  -0.361 -15.422  -3.068
  233   2HZ   LYS  30          2HZ       LYS  30  -1.628 -15.363  -4.208
  234   3HZ   LYS  30          3HZ       LYS  30  -1.946 -15.223  -2.555
  235    H    GLN  31           H        GLN  31  -2.731  -6.912  -5.335
  236    HA   GLN  31           HA       GLN  31   0.311  -6.936  -5.721
  237   1HB   GLN  31          2HB       GLN  31   0.384  -6.208  -7.885
  238   2HB   GLN  31          1HB       GLN  31  -0.911  -7.376  -7.934
  239   1HG   GLN  31          2HG       GLN  31  -2.555  -5.570  -7.933
  240   2HG   GLN  31          1HG       GLN  31  -1.256  -4.380  -7.836
  241   1HE2  GLN  31          1HE2      GLN  31  -3.251  -4.607  -9.942
  242   2HE2  GLN  31          2HE2      GLN  31  -2.392  -4.946 -11.386
  243    H    CYS  32           H        CYS  32   1.590  -5.051  -5.433
  244    HA   CYS  32           HA       CYS  32   0.206  -3.308  -3.868
  245   1HB   CYS  32          2HB       CYS  32   3.031  -3.634  -4.817
  246   2HB   CYS  32          1HB       CYS  32   2.516  -2.324  -3.767
  247    H    LEU  33           H        LEU  33  -0.243  -1.118  -4.653
  248    HA   LEU  33           HA       LEU  33   0.800  -0.193  -7.212
  249   1HB   LEU  33          2HB       LEU  33  -1.435   0.301  -8.083
  250   2HB   LEU  33          1HB       LEU  33  -1.103  -1.411  -8.007
  251    HG   LEU  33           HG       LEU  33  -2.559  -1.479  -5.925
  252   1HD1  LEU  33          1HD1      LEU  33  -2.545   0.899  -5.361
  253   2HD1  LEU  33          2HD1      LEU  33  -4.187   0.308  -5.630
  254   3HD1  LEU  33          3HD1      LEU  33  -3.383   1.267  -6.870
  255   1HD2  LEU  33          1HD2      LEU  33  -4.621  -1.487  -7.232
  256   2HD2  LEU  33          2HD2      LEU  33  -3.296  -2.270  -8.091
  257   3HD2  LEU  33          3HD2      LEU  33  -3.793  -0.636  -8.537
  258    H    ARG  34           H        ARG  34   0.680   1.703  -7.668
  259    HA   ARG  34           HA       ARG  34   1.103   3.433  -5.458
  260   1HB   ARG  34          2HB       ARG  34   2.525   3.379  -7.475
  261   2HB   ARG  34          1HB       ARG  34   1.178   3.867  -8.459
  262   1HG   ARG  34          2HG       ARG  34   2.465   5.630  -6.363
  263   2HG   ARG  34          1HG       ARG  34   2.947   5.601  -8.048
  264   1HD   ARG  34          2HD       ARG  34   0.363   6.134  -8.414
  265   2HD   ARG  34          1HD       ARG  34   0.506   6.726  -6.754
  266    HE   ARG  34           HE       ARG  34   2.088   7.717  -9.041
  267   1HH1  ARG  34          1HH1      ARG  34   0.602   8.373  -5.871
  268   2HH1  ARG  34          2HH1      ARG  34   0.935  10.046  -5.958
  269   1HH2  ARG  34          1HH2      ARG  34   2.544   9.971  -9.087
  270   2HH2  ARG  34          2HH2      ARG  34   2.100  10.979  -7.803
  271    H    PHE  35           H        PHE  35   0.034   5.051  -4.908
  272    HA   PHE  35           HA       PHE  35  -2.379   5.299  -6.117
  273   1HB   PHE  35          2HB       PHE  35  -3.647   5.825  -3.889
  274   2HB   PHE  35          1HB       PHE  35  -2.993   4.221  -4.095
  275    HD1  PHE  35           1HD      PHE  35  -3.444   6.788  -1.861
  276    HD2  PHE  35           2HD      PHE  35  -0.438   4.047  -3.116
  277    HE1  PHE  35           1HE      PHE  35  -2.346   6.991   0.318
  278    HE2  PHE  35           2HE      PHE  35   0.664   4.256  -0.934
  279    HZ   PHE  35           HZ       PHE  35  -0.294   5.723   0.790
  280    H    ASP  36           H        ASP  36  -3.285   8.009  -5.165
  281    HA   ASP  36           HA       ASP  36  -0.840   9.459  -5.107
  282   1HB   ASP  36          2HB       ASP  36  -3.615  10.198  -5.985
  283   2HB   ASP  36          1HB       ASP  36  -2.458  11.461  -5.599
  284    H    TYR  37           H        TYR  37  -0.392   9.210  -3.011
  285    HA   TYR  37           HA       TYR  37  -2.209   9.853  -0.856
  286   1HB   TYR  37          2HB       TYR  37  -0.429   8.143  -0.727
  287   2HB   TYR  37          1HB       TYR  37   0.776   9.360  -1.045
  288    HD1  TYR  37           1HD      TYR  37  -1.977   8.612   1.403
  289    HD2  TYR  37           2HD      TYR  37   1.888  10.297   0.819
  290    HE1  TYR  37           1HE      TYR  37  -1.779   8.973   3.828
  291    HE2  TYR  37           2HE      TYR  37   2.093  10.666   3.240
  292    HH   TYR  37           HH       TYR  37   0.751  10.869   5.233
  293    H    THR  38           H        THR  38  -2.495  11.944  -0.008
  294    HA   THR  38           HA       THR  38  -1.024  13.862  -1.441
  295    HB   THR  38           HB       THR  38  -2.934  15.303  -0.450
  296    HG1  THR  38           1HG      THR  38  -4.451  13.028  -0.331
  297   1HG2  THR  38          1HG2      THR  38  -4.453  14.474  -2.206
  298   2HG2  THR  38          2HG2      THR  38  -3.473  13.015  -2.358
  299   3HG2  THR  38          3HG2      THR  38  -2.793  14.582  -2.794
  300    H    GLY  39           H        GLY  39   0.306  12.668   0.703
  301   1HA   GLY  39          2HA       GLY  39   1.638  13.120   2.467
  302   2HA   GLY  39          1HA       GLY  39   1.365  14.785   2.045
  303    H    GLN  40           H        GLN  40  -1.690  14.330   3.080
  304    HA   GLN  40           HA       GLN  40  -0.851  14.323   5.868
  305   1HB   GLN  40          2HB       GLN  40  -1.033  16.666   5.026
  306   2HB   GLN  40          1HB       GLN  40  -2.712  16.360   4.613
  307   1HG   GLN  40          2HG       GLN  40  -2.684  17.536   6.671
  308   2HG   GLN  40          1HG       GLN  40  -3.124  15.860   7.023
  309   1HE2  GLN  40          1HE2      GLN  40  -2.401  16.019   9.151
  310   2HE2  GLN  40          2HE2      GLN  40  -0.723  16.051   9.551
  311    H    GLY  41           H        GLY  41  -2.471  12.973   7.095
  312   1HA   GLY  41          2HA       GLY  41  -4.688  12.600   7.588
  313   2HA   GLY  41          1HA       GLY  41  -5.135  13.432   6.112
  314    H    GLY  42           H        GLY  42  -3.083  10.599   6.579
  315   1HA   GLY  42          2HA       GLY  42  -4.844   9.249   4.681
  316   2HA   GLY  42          1HA       GLY  42  -3.093   9.087   4.690
  317    H    ASN  43           H        ASN  43  -3.083   6.872   4.969
  318    HA   ASN  43           HA       ASN  43  -4.285   5.622   7.330
  319   1HB   ASN  43          2HB       ASN  43  -4.201   3.718   5.911
  320   2HB   ASN  43          1HB       ASN  43  -5.075   4.948   5.013
  321   1HD2  ASN  43          1HD2      ASN  43  -3.647   2.600   4.081
  322   2HD2  ASN  43          2HD2      ASN  43  -2.414   3.165   2.996
  323    H    GLU  44           H        GLU  44  -3.100   3.967   8.014
  324    HA   GLU  44           HA       GLU  44  -0.373   4.672   8.872
  325   1HB   GLU  44          2HB       GLU  44  -2.051   2.233   9.347
  326   2HB   GLU  44          1HB       GLU  44  -0.624   2.750  10.233
  327   1HG   GLU  44          2HG       GLU  44  -3.312   4.105  10.175
  328   2HG   GLU  44          1HG       GLU  44  -2.586   3.230  11.522
  329    H    ASN  45           H        ASN  45  -1.751   2.669   6.435
  330    HA   ASN  45           HA       ASN  45   0.713   1.212   6.146
  331   1HB   ASN  45          2HB       ASN  45  -1.451   0.130   5.701
  332   2HB   ASN  45          1HB       ASN  45  -1.761   1.281   4.407
  333   1HD2  ASN  45          1HD2      ASN  45  -0.134  -1.541   5.338
  334   2HD2  ASN  45          2HD2      ASN  45   0.546  -1.929   3.793
  335    H    ASN  46           H        ASN  46   2.213   3.643   5.294
  336    HA   ASN  46           HA       ASN  46   1.573   3.511   2.679
  337   1HB   ASN  46          2HB       ASN  46   1.299   5.478   4.136
  338   2HB   ASN  46          1HB       ASN  46   2.995   5.369   4.581
  339   1HD2  ASN  46          1HD2      ASN  46   0.722   6.222   2.202
  340   2HD2  ASN  46          2HD2      ASN  46   1.813   7.048   1.142
  341    H    PHE  47           H        PHE  47   3.067   2.788   1.240
  342    HA   PHE  47           HA       PHE  47   5.622   2.194   2.347
  343   1HB   PHE  47          2HB       PHE  47   4.359   1.095  -0.152
  344   2HB   PHE  47          1HB       PHE  47   5.936   0.623   0.480
  345    HD1  PHE  47           1HD      PHE  47   2.616  -0.252   0.354
  346    HD2  PHE  47           2HD      PHE  47   5.849   0.028   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.511  -1.870   1.826
  348    HE2  PHE  47           2HE      PHE  47   4.759  -1.591   4.554
  349    HZ   PHE  47           HZ       PHE  47   2.580  -2.541   3.921
  350    H    ARG  48           H        ARG  48   7.366   3.145   1.414
  351    HA   ARG  48           HA       ARG  48   7.117   5.150  -0.810
  352   1HB   ARG  48          2HB       ARG  48   7.935   5.904   1.430
  353   2HB   ARG  48          1HB       ARG  48   9.285   4.802   1.241
  354   1HG   ARG  48          2HG       ARG  48   9.909   7.099   0.688
  355   2HG   ARG  48          1HG       ARG  48  10.056   6.041  -0.708
  356   1HD   ARG  48          2HD       ARG  48   8.047   6.966  -1.709
  357   2HD   ARG  48          1HD       ARG  48   7.637   7.837  -0.243
  358    HE   ARG  48           HE       ARG  48  10.094   8.725  -0.892
  359   1HH1  ARG  48          1HH1      ARG  48   7.110   8.552  -2.872
  360   2HH1  ARG  48          2HH1      ARG  48   7.298  10.116  -3.500
  361   1HH2  ARG  48          1HH2      ARG  48  10.292  10.904  -1.802
  362   2HH2  ARG  48          2HH2      ARG  48   9.130  11.482  -2.888
  363    H    ARG  49           H        ARG  49   8.251   1.855  -0.221
  364    HA   ARG  49           HA       ARG  49   9.655   2.130  -2.672
  365   1HB   ARG  49          2HB       ARG  49  11.313   2.197  -0.902
  366   2HB   ARG  49          1HB       ARG  49  10.617   0.787  -0.133
  367   1HG   ARG  49          2HG       ARG  49  11.406  -0.644  -1.865
  368   2HG   ARG  49          1HG       ARG  49  11.880   0.736  -2.859
  369   1HD   ARG  49          2HD       ARG  49  13.828  -0.270  -1.802
  370   2HD   ARG  49          1HD       ARG  49  13.562   1.358  -1.192
  371    HE   ARG  49           HE       ARG  49  12.708  -1.029   0.305
  372   1HH1  ARG  49          1HH1      ARG  49  14.434   2.089   0.211
  373   2HH1  ARG  49          2HH1      ARG  49  14.888   2.027   1.850
  374   1HH2  ARG  49          1HH2      ARG  49  13.336  -1.074   2.559
  375   2HH2  ARG  49          2HH2      ARG  49  14.283   0.192   3.196
  376    H    THR  50           H        THR  50   9.256   0.366  -4.012
  377    HA   THR  50           HA       THR  50   6.902  -1.017  -3.910
  378    HB   THR  50           HB       THR  50   9.286  -1.834  -5.557
  379    HG1  THR  50           1HG      THR  50   7.488   0.257  -6.265
  380   1HG2  THR  50          1HG2      THR  50   7.204  -3.154  -5.817
  381   2HG2  THR  50          2HG2      THR  50   7.555  -2.220  -7.269
  382   3HG2  THR  50          3HG2      THR  50   6.312  -1.668  -6.144
  383    H    TYR  51           H        TYR  51  10.185  -2.434  -3.522
  384    HA   TYR  51           HA       TYR  51   9.353  -5.048  -3.003
  385   1HB   TYR  51          2HB       TYR  51  11.650  -4.664  -3.582
  386   2HB   TYR  51          1HB       TYR  51  11.895  -3.611  -2.189
  387    HD1  TYR  51           1HD      TYR  51  13.017  -4.512  -0.402
  388    HD2  TYR  51           2HD      TYR  51  10.834  -7.122  -2.946
  389    HE1  TYR  51           1HE      TYR  51  13.776  -6.422   0.926
  390    HE2  TYR  51           2HE      TYR  51  11.597  -9.048  -1.626
  391    HH   TYR  51           HH       TYR  51  13.330  -9.651  -0.112
  392    H    ASP  52           H        ASP  52   9.652  -2.308  -0.899
  393    HA   ASP  52           HA       ASP  52   9.508  -3.813   1.536
  394   1HB   ASP  52          2HB       ASP  52  10.238  -1.443   1.492
  395   2HB   ASP  52          1HB       ASP  52   8.610  -0.964   1.029
  396    H    CYS  53           H        CYS  53   7.044  -2.345  -0.435
  397    HA   CYS  53           HA       CYS  53   4.713  -3.188   0.987
  398   1HB   CYS  53          2HB       CYS  53   4.694  -1.646  -0.956
  399   2HB   CYS  53          1HB       CYS  53   4.994  -3.024  -2.012
  400    H    GLN  54           H        GLN  54   6.248  -4.505  -1.503
  401    HA   GLN  54           HA       GLN  54   5.112  -7.135  -1.909
  402   1HB   GLN  54          2HB       GLN  54   6.538  -6.331  -3.564
  403   2HB   GLN  54          1HB       GLN  54   7.986  -6.484  -2.528
  404   1HG   GLN  54          2HG       GLN  54   7.471  -8.967  -2.553
  405   2HG   GLN  54          1HG       GLN  54   6.270  -8.619  -3.800
  406   1HE2  GLN  54          1HE2      GLN  54   9.607  -8.947  -3.081
  407   2HE2  GLN  54          2HE2      GLN  54  10.200  -8.705  -4.676
  408    H    ARG  55           H        ARG  55   7.787  -6.367   0.030
  409    HA   ARG  55           HA       ARG  55   8.181  -9.012   1.030
  410   1HB   ARG  55          2HB       ARG  55   9.996  -7.372   0.973
  411   2HB   ARG  55          1HB       ARG  55   9.122  -6.346   2.092
  412   1HG   ARG  55          2HG       ARG  55   9.430  -7.908   3.864
  413   2HG   ARG  55          1HG       ARG  55  10.106  -9.108   2.753
  414   1HD   ARG  55          2HD       ARG  55  11.965  -7.654   2.262
  415   2HD   ARG  55          1HD       ARG  55  11.285  -6.386   3.262
  416    HE   ARG  55           HE       ARG  55  11.573  -7.897   5.166
  417   1HH1  ARG  55          1HH1      ARG  55  13.512  -8.625   2.258
  418   2HH1  ARG  55          2HH1      ARG  55  14.858  -9.177   3.132
  419   1HH2  ARG  55          1HH2      ARG  55  13.468  -8.650   6.363
  420   2HH2  ARG  55          2HH2      ARG  55  14.860  -9.152   5.525
  421    H    THR  56           H        THR  56   6.377  -6.074   2.432
  422    HA   THR  56           HA       THR  56   5.822  -7.853   4.430
  423    HB   THR  56           HB       THR  56   6.104  -5.583   5.036
  424    HG1  THR  56           1HG      THR  56   4.697  -6.862   6.258
  425   1HG2  THR  56          1HG2      THR  56   3.602  -5.008   3.468
  426   2HG2  THR  56          2HG2      THR  56   5.237  -4.511   3.045
  427   3HG2  THR  56          3HG2      THR  56   4.462  -3.856   4.488
  428    H    CYS  57           H        CYS  57   3.769  -6.771   1.710
  429    HA   CYS  57           HA       CYS  57   1.457  -8.090   2.900
  430   1HB   CYS  57          2HB       CYS  57   1.468  -6.147   0.578
  431   2HB   CYS  57          1HB       CYS  57   0.089  -6.722   1.515
  432    H    LEU  58           H        LEU  58   3.677  -8.513   0.437
  433    HA   LEU  58           HA       LEU  58   1.893 -10.323  -0.992
  434   1HB   LEU  58          2HB       LEU  58   3.075  -8.544  -2.252
  435   2HB   LEU  58          1HB       LEU  58   4.604  -9.228  -1.779
  436    HG   LEU  58           HG       LEU  58   3.894  -9.613  -4.164
  437   1HD1  LEU  58          1HD1      LEU  58   4.425 -12.085  -2.548
  438   2HD1  LEU  58          2HD1      LEU  58   5.626 -10.991  -3.238
  439   3HD1  LEU  58          3HD1      LEU  58   4.584 -11.940  -4.299
  440   1HD2  LEU  58          1HD2      LEU  58   1.533  -9.999  -3.796
  441   2HD2  LEU  58          2HD2      LEU  58   1.895 -11.480  -2.903
  442   3HD2  LEU  58          3HD2      LEU  58   2.264 -11.372  -4.627
  443    H    TYR  59           H        TYR  59   4.579 -10.364   1.200
  444    HA   TYR  59           HA       TYR  59   4.976 -13.162   0.593
  445   1HB   TYR  59          2HB       TYR  59   6.546 -11.312   2.394
  446   2HB   TYR  59          1HB       TYR  59   6.847 -13.038   2.271
  447    HD1  TYR  59           1HD      TYR  59   8.861 -10.872   1.761
  448    HD2  TYR  59           2HD      TYR  59   6.204 -12.891  -0.865
  449    HE1  TYR  59           1HE      TYR  59  10.398 -10.458  -0.106
  450    HE2  TYR  59           2HE      TYR  59   7.726 -12.481  -2.733
  451    HH   TYR  59           HH       TYR  59  10.866 -11.593  -2.340
  452    H    THR  60           H        THR  60   2.998 -14.074   1.475
  453    HA   THR  60           HA       THR  60   2.853 -14.555   4.107
  454    HB   THR  60           HB       THR  60   2.283 -12.174   4.471
  455    HG1  THR  60           1HG      THR  60  -0.275 -12.952   4.846
  456   1HG2  THR  60          1HG2      THR  60   0.263 -11.139   3.495
  457   2HG2  THR  60          2HG2      THR  60  -0.009 -12.591   2.533
  458   3HG2  THR  60          3HG2      THR  60   1.416 -11.599   2.239
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1  -4.249 -16.747   3.787
    2   2H    LYS   1          2HT       LYS   1  -4.482 -15.161   3.211
    3   3H    LYS   1          3HT       LYS   1  -5.399 -16.423   2.597
    4    HA   LYS   1           HA       LYS   1  -6.667 -15.052   4.157
    5   1HB   LYS   1          2HB       LYS   1  -7.561 -16.880   5.483
    6   2HB   LYS   1          1HB       LYS   1  -7.314 -17.360   3.818
    7   1HG   LYS   1          2HG       LYS   1  -5.348 -18.607   4.424
    8   2HG   LYS   1          1HG       LYS   1  -5.461 -18.031   6.089
    9   1HD   LYS   1          2HD       LYS   1  -7.617 -19.172   6.324
   10   2HD   LYS   1          1HD       LYS   1  -7.486 -19.742   4.659
   11   1HE   LYS   1          2HE       LYS   1  -5.511 -21.015   5.203
   12   2HE   LYS   1          1HE       LYS   1  -5.499 -20.365   6.842
   13   1HZ   LYS   1          1HZ       LYS   1  -7.571 -21.489   7.283
   14   2HZ   LYS   1          2HZ       LYS   1  -6.432 -22.608   6.709
   15   3HZ   LYS   1          3HZ       LYS   1  -7.649 -22.058   5.689
   16    H    ASP   2           H        ASP   2  -3.509 -15.973   5.271
   17    HA   ASP   2           HA       ASP   2  -4.022 -15.284   8.047
   18   1HB   ASP   2          2HB       ASP   2  -2.287 -17.002   7.323
   19   2HB   ASP   2          1HB       ASP   2  -1.383 -15.684   6.598
   20    H    ARG   3           H        ARG   3  -1.876 -13.968   5.710
   21    HA   ARG   3           HA       ARG   3  -1.119 -11.763   5.206
   22   1HB   ARG   3          2HB       ARG   3  -3.718 -10.906   6.431
   23   2HB   ARG   3          1HB       ARG   3  -2.690  -9.964   5.387
   24   1HG   ARG   3          2HG       ARG   3  -3.270 -11.414   3.524
   25   2HG   ARG   3          1HG       ARG   3  -4.290 -12.389   4.607
   26   1HD   ARG   3          2HD       ARG   3  -5.465 -10.279   5.246
   27   2HD   ARG   3          1HD       ARG   3  -4.581  -9.465   3.969
   28    HE   ARG   3           HE       ARG   3  -5.742 -11.262   2.529
   29   1HH1  ARG   3          1HH1      ARG   3  -7.094  -9.644   5.382
   30   2HH1  ARG   3          2HH1      ARG   3  -8.700  -9.614   4.819
   31   1HH2  ARG   3          1HH2      ARG   3  -7.972 -11.195   1.704
   32   2HH2  ARG   3          2HH2      ARG   3  -9.204 -10.496   2.627
   33    HA   PRO   4           HA       PRO   4  -0.237  -9.478   9.010
   34   1HB   PRO   4          2HB       PRO   4   0.786  -7.404   7.119
   35   2HB   PRO   4          1HB       PRO   4   1.668  -8.206   8.428
   36   1HG   PRO   4          2HG       PRO   4   2.210  -8.742   5.870
   37   2HG   PRO   4          1HG       PRO   4   2.236 -10.018   7.107
   38   1HD   PRO   4          2HD       PRO   4   0.061  -9.333   5.155
   39   2HD   PRO   4          1HD       PRO   4   0.750 -10.931   5.540
   40    H    SER   5           H        SER   5  -2.044  -8.141   9.684
   41    HA   SER   5           HA       SER   5  -4.174  -7.747   8.093
   42   1HB   SER   5          2HB       SER   5  -5.052  -6.303   9.913
   43   2HB   SER   5          1HB       SER   5  -4.392  -7.858  10.422
   44    HG   SER   5           HG       SER   5  -3.783  -5.565  11.360
   45    H    LEU   6           H        LEU   6  -1.406  -5.664   7.989
   46    HA   LEU   6           HA       LEU   6  -2.937  -3.321   7.329
   47   1HB   LEU   6          2HB       LEU   6  -0.925  -2.086   7.329
   48   2HB   LEU   6          1HB       LEU   6  -0.888  -3.116   8.730
   49    HG   LEU   6           HG       LEU   6   0.674  -3.635   6.186
   50   1HD1  LEU   6          1HD1      LEU   6   1.404  -1.580   7.275
   51   2HD1  LEU   6          2HD1      LEU   6   2.615  -2.855   7.427
   52   3HD1  LEU   6          3HD1      LEU   6   1.589  -2.449   8.800
   53   1HD2  LEU   6          1HD2      LEU   6   0.308  -5.666   7.445
   54   2HD2  LEU   6          2HD2      LEU   6   0.844  -4.877   8.932
   55   3HD2  LEU   6          3HD2      LEU   6   1.982  -5.155   7.617
   56    H    CYS   7           H        CYS   7  -2.934  -5.737   5.612
   57    HA   CYS   7           HA       CYS   7  -2.130  -4.450   3.099
   58   1HB   CYS   7          2HB       CYS   7  -2.890  -7.318   3.694
   59   2HB   CYS   7          1HB       CYS   7  -2.330  -6.703   2.143
   60    H    ASP   8           H        ASP   8  -4.608  -5.254   5.113
   61    HA   ASP   8           HA       ASP   8  -6.798  -5.085   3.188
   62   1HB   ASP   8          2HB       ASP   8  -6.737  -7.020   4.798
   63   2HB   ASP   8          1HB       ASP   8  -6.730  -5.886   6.134
   64    H    LEU   9           H        LEU   9  -5.183  -2.833   3.754
   65    HA   LEU   9           HA       LEU   9  -5.854  -1.522   6.198
   66   1HB   LEU   9          2HB       LEU   9  -3.942  -0.147   5.700
   67   2HB   LEU   9          1HB       LEU   9  -3.499  -1.815   5.496
   68    HG   LEU   9           HG       LEU   9  -2.336  -0.673   3.851
   69   1HD1  LEU   9          1HD1      LEU   9  -3.122  -1.292   1.661
   70   2HD1  LEU   9          2HD1      LEU   9  -4.678  -1.738   2.369
   71   3HD1  LEU   9          3HD1      LEU   9  -3.215  -2.596   2.844
   72   1HD2  LEU   9          1HD2      LEU   9  -3.339   1.484   3.939
   73   2HD2  LEU   9          2HD2      LEU   9  -4.789   0.901   3.136
   74   3HD2  LEU   9          3HD2      LEU   9  -3.260   0.966   2.256
   75    HA   PRO  10           HA       PRO  10  -8.411   1.252   4.301
   76   1HB   PRO  10          2HB       PRO  10  -7.680   3.755   5.240
   77   2HB   PRO  10          1HB       PRO  10  -8.659   2.584   6.130
   78   1HG   PRO  10          2HG       PRO  10  -5.745   3.167   6.339
   79   2HG   PRO  10          1HG       PRO  10  -6.904   2.745   7.615
   80   1HD   PRO  10          2HD       PRO  10  -5.123   0.984   6.544
   81   2HD   PRO  10          1HD       PRO  10  -6.687   0.505   7.237
   82    H    ALA  11           H        ALA  11  -8.102   1.321   2.121
   83    HA   ALA  11           HA       ALA  11  -5.747   2.630   0.786
   84   1HB   ALA  11          1HB       ALA  11  -8.480   1.623  -0.207
   85   2HB   ALA  11          2HB       ALA  11  -6.966   0.748  -0.448
   86   3HB   ALA  11          3HB       ALA  11  -7.221   2.302  -1.241
   87    H    ASP  12           H        ASP  12  -5.582   4.296   1.630
   88    HA   ASP  12           HA       ASP  12  -7.679   6.282   1.229
   89   1HB   ASP  12          2HB       ASP  12  -7.790   5.511   3.591
   90   2HB   ASP  12          1HB       ASP  12  -6.146   6.102   3.811
   91    H    SER  13           H        SER  13  -7.295   8.175   0.502
   92    HA   SER  13           HA       SER  13  -4.523   8.556  -0.500
   93   1HB   SER  13          2HB       SER  13  -7.055   9.940  -1.364
   94   2HB   SER  13          1HB       SER  13  -5.499   9.902  -2.197
   95    HG   SER  13           HG       SER  13  -7.520   8.048  -2.029
   96    H    GLY  14           H        GLY  14  -6.594   9.729   1.871
   97   1HA   GLY  14          2HA       GLY  14  -6.435  11.586   3.244
   98   2HA   GLY  14          1HA       GLY  14  -4.835  11.885   2.559
   99    H    SER  15           H        SER  15  -7.008  14.152   2.967
  100    HA   SER  15           HA       SER  15  -7.017  14.646   0.241
  101   1HB   SER  15          2HB       SER  15  -9.332  14.314   1.202
  102   2HB   SER  15          1HB       SER  15  -8.986  15.576   2.380
  103    HG   SER  15           HG       SER  15  -8.751  16.998   0.614
  104    H    GLY  16           H        GLY  16  -4.685  15.091   1.439
  105   1HA   GLY  16          2HA       GLY  16  -4.489  17.610   2.645
  106   2HA   GLY  16          1HA       GLY  16  -3.200  16.554   2.112
  107    H    THR  17           H        THR  17  -2.466  18.848   1.729
  108    HA   THR  17           HA       THR  17  -3.492  20.030  -0.761
  109    HB   THR  17           HB       THR  17  -1.504  21.177   1.194
  110    HG1  THR  17           1HG      THR  17  -3.898  22.250   1.559
  111   1HG2  THR  17          1HG2      THR  17  -3.457  22.425  -0.757
  112   2HG2  THR  17          2HG2      THR  17  -1.716  22.292  -0.998
  113   3HG2  THR  17          3HG2      THR  17  -2.357  23.307   0.299
  114    H    LYS  18           H        LYS  18  -0.922  17.861   0.016
  115    HA   LYS  18           HA       LYS  18   1.041  18.913  -1.924
  116   1HB   LYS  18          2HB       LYS  18   1.632  18.746   0.571
  117   2HB   LYS  18          1HB       LYS  18   1.160  17.067   0.488
  118   1HG   LYS  18          2HG       LYS  18   3.487  17.084   0.394
  119   2HG   LYS  18          1HG       LYS  18   2.961  16.797  -1.261
  120   1HD   LYS  18          2HD       LYS  18   3.365  19.119  -1.820
  121   2HD   LYS  18          1HD       LYS  18   3.800  19.466  -0.141
  122   1HE   LYS  18          2HE       LYS  18   5.243  17.597  -2.018
  123   2HE   LYS  18          1HE       LYS  18   5.805  19.182  -1.484
  124   1HZ   LYS  18          1HZ       LYS  18   5.335  16.846   0.299
  125   2HZ   LYS  18          2HZ       LYS  18   5.943  18.353   0.773
  126   3HZ   LYS  18          3HZ       LYS  18   6.848  17.341  -0.229
  127    H    ALA  19           H        ALA  19   1.998  17.139  -3.163
  128    HA   ALA  19           HA       ALA  19   0.273  14.714  -3.321
  129   1HB   ALA  19          1HB       ALA  19   1.878  16.012  -5.545
  130   2HB   ALA  19          2HB       ALA  19   0.121  16.109  -5.383
  131   3HB   ALA  19          3HB       ALA  19   0.893  14.556  -5.687
  132    H    GLU  20           H        GLU  20   1.227  12.767  -3.078
  133    HA   GLU  20           HA       GLU  20   4.156  12.678  -3.079
  134   1HB   GLU  20          2HB       GLU  20   3.358  13.327  -0.828
  135   2HB   GLU  20          1HB       GLU  20   2.446  11.830  -0.745
  136   1HG   GLU  20          2HG       GLU  20   4.513  11.667   0.457
  137   2HG   GLU  20          1HG       GLU  20   4.503  10.568  -0.932
  138    H    LYS  21           H        LYS  21   4.866  10.650  -3.743
  139    HA   LYS  21           HA       LYS  21   2.880   8.732  -4.848
  140   1HB   LYS  21          2HB       LYS  21   4.785   9.795  -6.207
  141   2HB   LYS  21          1HB       LYS  21   5.888   8.980  -5.127
  142   1HG   LYS  21          2HG       LYS  21   3.884   7.528  -6.847
  143   2HG   LYS  21          1HG       LYS  21   5.491   7.944  -7.396
  144   1HD   LYS  21          2HD       LYS  21   4.914   6.180  -5.006
  145   2HD   LYS  21          1HD       LYS  21   5.187   5.570  -6.629
  146   1HE   LYS  21          2HE       LYS  21   7.260   5.319  -5.612
  147   2HE   LYS  21          1HE       LYS  21   7.438   6.828  -6.491
  148   1HZ   LYS  21          1HZ       LYS  21   8.346   6.946  -4.213
  149   2HZ   LYS  21          2HZ       LYS  21   6.833   6.588  -3.591
  150   3HZ   LYS  21          3HZ       LYS  21   7.090   8.043  -4.391
  151    H    ARG  22           H        ARG  22   2.142   7.288  -3.236
  152    HA   ARG  22           HA       ARG  22   4.370   6.062  -1.932
  153   1HB   ARG  22          2HB       ARG  22   1.484   6.267  -1.110
  154   2HB   ARG  22          1HB       ARG  22   2.763   5.495  -0.202
  155   1HG   ARG  22          2HG       ARG  22   2.684   8.417  -0.895
  156   2HG   ARG  22          1HG       ARG  22   2.120   7.731   0.626
  157   1HD   ARG  22          2HD       ARG  22   4.393   6.891   1.048
  158   2HD   ARG  22          1HD       ARG  22   4.935   7.646  -0.454
  159    HE   ARG  22           HE       ARG  22   3.850   9.710   0.736
  160   1HH1  ARG  22          1HH1      ARG  22   5.961   7.299   2.177
  161   2HH1  ARG  22          2HH1      ARG  22   6.708   8.382   3.272
  162   1HH2  ARG  22          1HH2      ARG  22   4.845  11.215   2.281
  163   2HH2  ARG  22          2HH2      ARG  22   6.051  10.630   3.314
  164    H    ILE  23           H        ILE  23   3.432   3.492  -1.290
  165    HA   ILE  23           HA       ILE  23   1.594   2.710  -3.422
  166    HB   ILE  23           HB       ILE  23   3.949   2.210  -4.247
  167   1HG1  ILE  23          2HG1      ILE  23   2.438  -0.330  -3.630
  168   2HG1  ILE  23          1HG1      ILE  23   2.025   0.783  -4.931
  169   1HG2  ILE  23          1HG2      ILE  23   5.026   1.733  -2.068
  170   2HG2  ILE  23          2HG2      ILE  23   5.219   0.398  -3.229
  171   3HG2  ILE  23          3HG2      ILE  23   4.032   0.265  -1.953
  172   1HD1  ILE  23          1HD1      ILE  23   4.188   0.380  -5.974
  173   2HD1  ILE  23          2HD1      ILE  23   3.297  -1.131  -5.744
  174   3HD1  ILE  23          3HD1      ILE  23   4.627  -0.711  -4.662
  175    H    TYR  24           H        TYR  24   0.268   0.925  -2.862
  176    HA   TYR  24           HA       TYR  24   0.832  -0.363  -0.373
  177   1HB   TYR  24          2HB       TYR  24  -1.526  -0.109   0.499
  178   2HB   TYR  24          1HB       TYR  24  -0.551   1.345   0.544
  179    HD1  TYR  24           1HD      TYR  24  -2.037   0.430  -2.684
  180    HD2  TYR  24           2HD      TYR  24  -2.644   2.550   0.943
  181    HE1  TYR  24           1HE      TYR  24  -3.890   1.659  -3.720
  182    HE2  TYR  24           2HE      TYR  24  -4.489   3.783  -0.082
  183    HH   TYR  24           HH       TYR  24  -5.818   2.906  -3.142
  184    H    TYR  25           H        TYR  25  -1.127  -2.203   0.012
  185    HA   TYR  25           HA       TYR  25  -0.863  -3.716  -2.230
  186   1HB   TYR  25          2HB       TYR  25  -0.550  -4.518  -0.048
  187   2HB   TYR  25          1HB       TYR  25  -2.157  -4.035   0.439
  188    HD1  TYR  25           1HD      TYR  25  -3.907  -5.561   0.329
  189    HD2  TYR  25           2HD      TYR  25  -0.322  -6.436  -1.767
  190    HE1  TYR  25           1HE      TYR  25  -4.691  -7.842  -0.023
  191    HE2  TYR  25           2HE      TYR  25  -1.110  -8.747  -2.136
  192    HH   TYR  25           HH       TYR  25  -2.710 -10.348  -0.968
  193    H    ASN  26           H        ASN  26  -2.689  -4.202  -3.711
  194    HA   ASN  26           HA       ASN  26  -5.419  -3.320  -2.928
  195   1HB   ASN  26          2HB       ASN  26  -4.663  -2.627  -5.245
  196   2HB   ASN  26          1HB       ASN  26  -4.463  -4.343  -5.625
  197   1HD2  ASN  26          1HD2      ASN  26  -6.729  -1.782  -4.973
  198   2HD2  ASN  26          2HD2      ASN  26  -8.136  -2.632  -5.483
  199    H    SER  27           H        SER  27  -6.678  -4.512  -2.272
  200    HA   SER  27           HA       SER  27  -5.787  -6.993  -1.618
  201   1HB   SER  27          2HB       SER  27  -8.528  -5.867  -1.105
  202   2HB   SER  27          1HB       SER  27  -7.989  -7.403  -0.428
  203    HG   SER  27           HG       SER  27  -6.761  -4.860  -0.041
  204    H    ALA  28           H        ALA  28  -8.164  -6.033  -3.998
  205    HA   ALA  28           HA       ALA  28  -9.248  -8.611  -4.469
  206   1HB   ALA  28          1HB       ALA  28  -9.321  -6.120  -6.162
  207   2HB   ALA  28          2HB       ALA  28 -10.507  -6.599  -4.950
  208   3HB   ALA  28          3HB       ALA  28 -10.301  -7.564  -6.417
  209    H    ARG  29           H        ARG  29  -6.872  -6.584  -5.939
  210    HA   ARG  29           HA       ARG  29  -6.258  -8.427  -8.121
  211   1HB   ARG  29          2HB       ARG  29  -4.943  -5.809  -7.408
  212   2HB   ARG  29          1HB       ARG  29  -4.258  -6.879  -8.612
  213   1HG   ARG  29          2HG       ARG  29  -5.492  -5.136  -9.706
  214   2HG   ARG  29          1HG       ARG  29  -6.338  -6.663  -9.937
  215   1HD   ARG  29          2HD       ARG  29  -7.961  -6.079  -8.303
  216   2HD   ARG  29          1HD       ARG  29  -7.026  -4.675  -7.797
  217    HE   ARG  29           HE       ARG  29  -7.648  -4.438 -10.516
  218   1HH1  ARG  29          1HH1      ARG  29  -9.105  -4.265  -7.336
  219   2HH1  ARG  29          2HH1      ARG  29 -10.401  -3.249  -7.753
  220   1HH2  ARG  29          1HH2      ARG  29  -9.450  -3.022 -11.205
  221   2HH2  ARG  29          2HH2      ARG  29 -10.580  -2.514 -10.035
  222    H    LYS  30           H        LYS  30  -5.368  -8.228  -5.010
  223    HA   LYS  30           HA       LYS  30  -3.649  -8.882  -3.613
  224   1HB   LYS  30          2HB       LYS  30  -4.448 -11.095  -4.501
  225   2HB   LYS  30          1HB       LYS  30  -3.241 -10.999  -5.774
  226   1HG   LYS  30          2HG       LYS  30  -1.513 -10.902  -3.890
  227   2HG   LYS  30          1HG       LYS  30  -2.825 -11.382  -2.821
  228   1HD   LYS  30          2HD       LYS  30  -3.169 -13.396  -4.155
  229   2HD   LYS  30          1HD       LYS  30  -1.867 -12.902  -5.241
  230   1HE   LYS  30          2HE       LYS  30  -0.351 -12.879  -3.227
  231   2HE   LYS  30          1HE       LYS  30  -1.662 -13.644  -2.328
  232   1HZ   LYS  30          1HZ       LYS  30  -1.613 -15.457  -3.989
  233   2HZ   LYS  30          2HZ       LYS  30  -0.143 -15.306  -3.143
  234   3HZ   LYS  30          3HZ       LYS  30  -0.278 -14.723  -4.715
  235    H    GLN  31           H        GLN  31  -2.987  -7.005  -5.245
  236    HA   GLN  31           HA       GLN  31   0.076  -7.041  -5.560
  237   1HB   GLN  31          2HB       GLN  31   0.199  -6.413  -7.765
  238   2HB   GLN  31          1HB       GLN  31  -0.984  -7.707  -7.751
  239   1HG   GLN  31          2HG       GLN  31  -2.766  -5.998  -7.850
  240   2HG   GLN  31          1HG       GLN  31  -1.515  -4.760  -7.981
  241   1HE2  GLN  31          1HE2      GLN  31  -3.531  -5.378  -9.875
  242   2HE2  GLN  31          2HE2      GLN  31  -2.774  -5.903 -11.324
  243    H    CYS  32           H        CYS  32   1.406  -5.167  -5.562
  244    HA   CYS  32           HA       CYS  32   0.261  -3.259  -3.942
  245   1HB   CYS  32          2HB       CYS  32   2.884  -3.633  -5.340
  246   2HB   CYS  32          1HB       CYS  32   2.514  -2.348  -4.211
  247    H    LEU  33           H        LEU  33  -0.257  -1.160  -4.639
  248    HA   LEU  33           HA       LEU  33   0.444  -0.308  -7.353
  249   1HB   LEU  33          2HB       LEU  33  -1.746   0.215  -8.011
  250   2HB   LEU  33          1HB       LEU  33  -1.823  -1.422  -7.419
  251    HG   LEU  33           HG       LEU  33  -2.787   1.036  -5.943
  252   1HD1  LEU  33          1HD1      LEU  33  -4.152   0.543  -7.868
  253   2HD1  LEU  33          2HD1      LEU  33  -5.023   0.149  -6.383
  254   3HD1  LEU  33          3HD1      LEU  33  -4.310  -1.137  -7.356
  255   1HD2  LEU  33          1HD2      LEU  33  -2.110  -0.639  -4.361
  256   2HD2  LEU  33          2HD2      LEU  33  -2.945  -1.888  -5.259
  257   3HD2  LEU  33          3HD2      LEU  33  -3.877  -0.625  -4.435
  258    H    ARG  34           H        ARG  34   0.577   1.696  -7.635
  259    HA   ARG  34           HA       ARG  34   1.136   3.379  -5.405
  260   1HB   ARG  34          2HB       ARG  34   2.496   3.203  -7.485
  261   2HB   ARG  34          1HB       ARG  34   1.153   3.820  -8.403
  262   1HG   ARG  34          2HG       ARG  34   2.649   5.416  -6.312
  263   2HG   ARG  34          1HG       ARG  34   3.080   5.392  -8.006
  264   1HD   ARG  34          2HD       ARG  34   0.531   6.131  -8.286
  265   2HD   ARG  34          1HD       ARG  34   0.772   6.669  -6.624
  266    HE   ARG  34           HE       ARG  34   2.629   7.490  -8.738
  267   1HH1  ARG  34          1HH1      ARG  34   0.385   8.429  -6.158
  268   2HH1  ARG  34          2HH1      ARG  34   0.566  10.103  -6.407
  269   1HH2  ARG  34          1HH2      ARG  34   2.970   9.794  -8.988
  270   2HH2  ARG  34          2HH2      ARG  34   2.091  10.897  -8.021
  271    H    PHE  35           H        PHE  35   0.075   5.048  -4.897
  272    HA   PHE  35           HA       PHE  35  -2.358   5.371  -6.139
  273   1HB   PHE  35          2HB       PHE  35  -3.637   5.912  -3.940
  274   2HB   PHE  35          1HB       PHE  35  -3.031   4.291  -4.198
  275    HD1  PHE  35           1HD      PHE  35  -3.372   6.885  -1.908
  276    HD2  PHE  35           2HD      PHE  35  -0.609   3.875  -3.104
  277    HE1  PHE  35           1HE      PHE  35  -2.338   6.946   0.316
  278    HE2  PHE  35           2HE      PHE  35   0.428   3.944  -0.883
  279    HZ   PHE  35           HZ       PHE  35  -0.442   5.476   0.835
  280    H    ASP  36           H        ASP  36  -3.226   8.046  -5.154
  281    HA   ASP  36           HA       ASP  36  -0.712   9.427  -5.037
  282   1HB   ASP  36          2HB       ASP  36  -2.407   9.870  -6.926
  283   2HB   ASP  36          1HB       ASP  36  -3.331  10.738  -5.702
  284    H    TYR  37           H        TYR  37  -0.381   9.210  -2.954
  285    HA   TYR  37           HA       TYR  37  -2.290   9.878  -0.898
  286   1HB   TYR  37          2HB       TYR  37  -0.543   8.143  -0.673
  287   2HB   TYR  37          1HB       TYR  37   0.691   9.363  -0.868
  288    HD1  TYR  37           1HD      TYR  37   1.446  10.635   1.008
  289    HD2  TYR  37           2HD      TYR  37  -2.064   8.263   1.357
  290    HE1  TYR  37           1HE      TYR  37   1.412  11.046   3.424
  291    HE2  TYR  37           2HE      TYR  37  -2.103   8.668   3.772
  292    HH   TYR  37           HH       TYR  37  -0.275  11.063   5.223
  293    H    THR  38           H        THR  38  -2.378  11.983   0.185
  294    HA   THR  38           HA       THR  38  -0.850  13.765  -1.436
  295    HB   THR  38           HB       THR  38  -2.424  15.399  -0.302
  296    HG1  THR  38           1HG      THR  38  -4.044  13.147   0.113
  297   1HG2  THR  38          1HG2      THR  38  -2.640  14.590  -2.633
  298   2HG2  THR  38          2HG2      THR  38  -4.214  14.781  -1.864
  299   3HG2  THR  38          3HG2      THR  38  -3.516  13.173  -2.052
  300    H    GLY  39           H        GLY  39  -1.272  13.374   2.155
  301   1HA   GLY  39          2HA       GLY  39   1.023  13.305   3.241
  302   2HA   GLY  39          1HA       GLY  39   1.351  14.736   2.287
  303    H    GLN  40           H        GLN  40  -1.878  15.060   3.298
  304    HA   GLN  40           HA       GLN  40  -1.175  15.757   5.954
  305   1HB   GLN  40          2HB       GLN  40  -1.229  17.800   4.526
  306   2HB   GLN  40          1HB       GLN  40  -2.807  17.329   3.928
  307   1HG   GLN  40          2HG       GLN  40  -3.069  19.081   5.521
  308   2HG   GLN  40          1HG       GLN  40  -3.721  17.591   6.186
  309   1HE2  GLN  40          1HE2      GLN  40  -2.733  20.056   7.480
  310   2HE2  GLN  40          2HE2      GLN  40  -1.549  19.531   8.618
  311    H    GLY  41           H        GLY  41  -2.718  14.237   7.094
  312   1HA   GLY  41          2HA       GLY  41  -4.943  13.724   7.518
  313   2HA   GLY  41          1HA       GLY  41  -5.384  14.458   5.993
  314    H    GLY  42           H        GLY  42  -3.205  11.683   6.726
  315   1HA   GLY  42          2HA       GLY  42  -4.848  10.127   4.837
  316   2HA   GLY  42          1HA       GLY  42  -3.094  10.083   4.839
  317    H    ASN  43           H        ASN  43  -2.990   7.782   5.214
  318    HA   ASN  43           HA       ASN  43  -4.092   6.539   7.674
  319   1HB   ASN  43          2HB       ASN  43  -3.753   4.550   6.334
  320   2HB   ASN  43          1HB       ASN  43  -4.927   5.604   5.567
  321   1HD2  ASN  43          1HD2      ASN  43  -4.502   4.399   3.652
  322   2HD2  ASN  43          2HD2      ASN  43  -3.115   4.773   2.684
  323    H    GLU  44           H        GLU  44  -2.873   4.905   8.366
  324    HA   GLU  44           HA       GLU  44   0.004   5.545   8.985
  325   1HB   GLU  44          2HB       GLU  44  -1.827   3.361   9.925
  326   2HB   GLU  44          1HB       GLU  44  -0.233   3.766  10.547
  327   1HG   GLU  44          2HG       GLU  44  -2.704   5.475  10.708
  328   2HG   GLU  44          1HG       GLU  44  -1.948   4.588  12.032
  329    H    ASN  45           H        ASN  45  -1.534   3.613   6.691
  330    HA   ASN  45           HA       ASN  45   0.853   1.917   6.487
  331   1HB   ASN  45          2HB       ASN  45  -1.421   0.961   6.112
  332   2HB   ASN  45          1HB       ASN  45  -1.611   2.025   4.726
  333   1HD2  ASN  45          1HD2      ASN  45  -0.069  -0.792   5.979
  334   2HD2  ASN  45          2HD2      ASN  45   0.501  -1.368   4.458
  335    H    ASN  46           H        ASN  46   2.397   4.190   5.770
  336    HA   ASN  46           HA       ASN  46   2.445   4.303   3.144
  337   1HB   ASN  46          2HB       ASN  46   3.318   5.896   4.689
  338   2HB   ASN  46          1HB       ASN  46   4.328   4.683   5.451
  339   1HD2  ASN  46          1HD2      ASN  46   6.226   5.520   5.165
  340   2HD2  ASN  46          2HD2      ASN  46   7.018   5.867   3.688
  341    H    PHE  47           H        PHE  47   3.446   3.125   1.631
  342    HA   PHE  47           HA       PHE  47   5.740   1.626   2.454
  343   1HB   PHE  47          2HB       PHE  47   3.885   0.911   0.164
  344   2HB   PHE  47          1HB       PHE  47   5.439   0.134   0.437
  345    HD1  PHE  47           1HD      PHE  47   2.093  -0.267   0.835
  346    HD2  PHE  47           2HD      PHE  47   5.682  -0.625   3.057
  347    HE1  PHE  47           1HE      PHE  47   0.984  -1.847   2.348
  348    HE2  PHE  47           2HE      PHE  47   4.590  -2.205   4.586
  349    HZ   PHE  47           HZ       PHE  47   2.230  -2.820   4.225
  350    H    ARG  48           H        ARG  48   7.415   2.634   1.531
  351    HA   ARG  48           HA       ARG  48   7.132   4.594  -0.835
  352   1HB   ARG  48          2HB       ARG  48   7.907   5.529   1.393
  353   2HB   ARG  48          1HB       ARG  48   9.355   4.541   1.164
  354   1HG   ARG  48          2HG       ARG  48  10.190   5.947  -0.371
  355   2HG   ARG  48          1HG       ARG  48   8.671   5.982  -1.261
  356   1HD   ARG  48          2HD       ARG  48   9.024   8.245  -0.628
  357   2HD   ARG  48          1HD       ARG  48   7.856   7.684   0.483
  358    HE   ARG  48           HE       ARG  48  10.281   7.130   1.679
  359   1HH1  ARG  48          1HH1      ARG  48   8.594  10.047   0.572
  360   2HH1  ARG  48          2HH1      ARG  48   9.335  11.089   1.702
  361   1HH2  ARG  48          1HH2      ARG  48  11.361   8.578   3.194
  362   2HH2  ARG  48          2HH2      ARG  48  10.924  10.217   3.266
  363    H    ARG  49           H        ARG  49   8.155   1.374  -0.222
  364    HA   ARG  49           HA       ARG  49   9.754   1.668  -2.550
  365   1HB   ARG  49          2HB       ARG  49  11.235   1.628  -0.639
  366   2HB   ARG  49          1HB       ARG  49  10.398   0.251   0.043
  367   1HG   ARG  49          2HG       ARG  49  12.458  -0.515  -0.795
  368   2HG   ARG  49          1HG       ARG  49  11.215  -1.087  -1.902
  369   1HD   ARG  49          2HD       ARG  49  11.750   0.773  -3.421
  370   2HD   ARG  49          1HD       ARG  49  13.025   1.289  -2.318
  371    HE   ARG  49           HE       ARG  49  13.351  -1.426  -2.945
  372   1HH1  ARG  49          1HH1      ARG  49  14.006   1.798  -4.230
  373   2HH1  ARG  49          2HH1      ARG  49  15.058   1.257  -5.456
  374   1HH2  ARG  49          1HH2      ARG  49  14.830  -2.172  -4.587
  375   2HH2  ARG  49          2HH2      ARG  49  15.560  -1.065  -5.658
  376    H    THR  50           H        THR  50   9.470  -0.281  -3.880
  377    HA   THR  50           HA       THR  50   6.969  -1.521  -3.589
  378    HB   THR  50           HB       THR  50   9.123  -2.228  -5.592
  379    HG1  THR  50           1HG      THR  50   8.879  -0.141  -5.907
  380   1HG2  THR  50          1HG2      THR  50   7.192  -2.774  -7.034
  381   2HG2  THR  50          2HG2      THR  50   6.093  -2.387  -5.708
  382   3HG2  THR  50          3HG2      THR  50   7.188  -3.762  -5.575
  383    H    TYR  51           H        TYR  51  10.230  -2.793  -2.885
  384    HA   TYR  51           HA       TYR  51   9.231  -5.468  -2.588
  385   1HB   TYR  51          2HB       TYR  51  11.623  -5.163  -2.993
  386   2HB   TYR  51          1HB       TYR  51  11.788  -4.236  -1.506
  387    HD1  TYR  51           1HD      TYR  51  12.724  -5.367   0.282
  388    HD2  TYR  51           2HD      TYR  51  10.448  -7.575  -2.545
  389    HE1  TYR  51           1HE      TYR  51  13.145  -7.428   1.553
  390    HE2  TYR  51           2HE      TYR  51  10.869  -9.639  -1.289
  391    HH   TYR  51           HH       TYR  51  12.371 -10.535   0.296
  392    H    ASP  52           H        ASP  52   9.514  -2.744  -0.486
  393    HA   ASP  52           HA       ASP  52   8.977  -4.030   2.001
  394   1HB   ASP  52          2HB       ASP  52   8.121  -1.287   1.024
  395   2HB   ASP  52          1HB       ASP  52   7.944  -1.840   2.679
  396    H    CYS  53           H        CYS  53   6.612  -2.685  -0.258
  397    HA   CYS  53           HA       CYS  53   4.326  -3.539   1.206
  398   1HB   CYS  53          2HB       CYS  53   3.029  -3.125  -0.706
  399   2HB   CYS  53          1HB       CYS  53   4.297  -1.916  -0.656
  400    H    GLN  54           H        GLN  54   5.864  -4.825  -1.301
  401    HA   GLN  54           HA       GLN  54   4.736  -7.415  -1.791
  402   1HB   GLN  54          2HB       GLN  54   6.144  -6.646  -3.429
  403   2HB   GLN  54          1HB       GLN  54   7.577  -6.609  -2.375
  404   1HG   GLN  54          2HG       GLN  54   7.418  -9.097  -2.331
  405   2HG   GLN  54          1HG       GLN  54   6.093  -8.968  -3.492
  406   1HE2  GLN  54          1HE2      GLN  54   6.558  -8.302  -5.613
  407   2HE2  GLN  54          2HE2      GLN  54   8.171  -8.365  -6.223
  408    H    ARG  55           H        ARG  55   7.416  -6.762   0.223
  409    HA   ARG  55           HA       ARG  55   7.781  -9.466   1.270
  410   1HB   ARG  55          2HB       ARG  55   9.519  -7.634   1.314
  411   2HB   ARG  55          1HB       ARG  55   8.525  -6.813   2.505
  412   1HG   ARG  55          2HG       ARG  55   8.828  -8.729   4.015
  413   2HG   ARG  55          1HG       ARG  55   9.895  -9.467   2.813
  414   1HD   ARG  55          2HD       ARG  55  11.286  -7.436   2.867
  415   2HD   ARG  55          1HD       ARG  55  10.280  -6.816   4.171
  416    HE   ARG  55           HE       ARG  55  11.517  -9.398   4.568
  417   1HH1  ARG  55          1HH1      ARG  55  11.405  -5.964   5.375
  418   2HH1  ARG  55          2HH1      ARG  55  12.722  -6.020   6.471
  419   1HH2  ARG  55          1HH2      ARG  55  13.298  -9.485   6.143
  420   2HH2  ARG  55          2HH2      ARG  55  13.784  -8.073   6.952
  421    H    THR  56           H        THR  56   5.931  -6.546   2.545
  422    HA   THR  56           HA       THR  56   5.177  -8.265   4.523
  423    HB   THR  56           HB       THR  56   5.261  -5.927   5.009
  424    HG1  THR  56           1HG      THR  56   2.847  -7.303   5.298
  425   1HG2  THR  56          1HG2      THR  56   4.579  -5.035   2.851
  426   2HG2  THR  56          2HG2      THR  56   3.601  -4.356   4.156
  427   3HG2  THR  56          3HG2      THR  56   2.938  -5.621   3.121
  428    H    CYS  57           H        CYS  57   3.469  -7.423   1.476
  429    HA   CYS  57           HA       CYS  57   1.157  -8.886   2.497
  430   1HB   CYS  57          2HB       CYS  57   1.311  -6.970   0.188
  431   2HB   CYS  57          1HB       CYS  57  -0.130  -7.777   0.791
  432    H    LEU  58           H        LEU  58   3.633  -9.368   0.254
  433    HA   LEU  58           HA       LEU  58   1.936 -11.201  -1.189
  434   1HB   LEU  58          2HB       LEU  58   3.159  -9.559  -2.504
  435   2HB   LEU  58          1HB       LEU  58   4.679 -10.185  -1.907
  436    HG   LEU  58           HG       LEU  58   4.224 -12.327  -3.068
  437   1HD1  LEU  58          1HD1      LEU  58   1.826 -10.864  -4.175
  438   2HD1  LEU  58          2HD1      LEU  58   1.786 -12.244  -3.077
  439   3HD1  LEU  58          3HD1      LEU  58   2.413 -12.435  -4.715
  440   1HD2  LEU  58          1HD2      LEU  58   5.554 -10.615  -4.156
  441   2HD2  LEU  58          2HD2      LEU  58   4.100  -9.867  -4.810
  442   3HD2  LEU  58          3HD2      LEU  58   4.577 -11.479  -5.341
  443    H    TYR  59           H        TYR  59   4.567 -11.106   1.050
  444    HA   TYR  59           HA       TYR  59   5.145 -13.855   0.520
  445   1HB   TYR  59          2HB       TYR  59   6.732 -11.813   2.073
  446   2HB   TYR  59          1HB       TYR  59   7.122 -13.532   2.091
  447    HD1  TYR  59           1HD      TYR  59   7.569 -14.665  -0.114
  448    HD2  TYR  59           2HD      TYR  59   7.513 -10.442   0.309
  449    HE1  TYR  59           1HE      TYR  59   8.827 -14.450  -2.204
  450    HE2  TYR  59           2HE      TYR  59   8.774 -10.212  -1.788
  451    HH   TYR  59           HH       TYR  59   9.099 -12.788  -3.926
  452    H    THR  60           H        THR  60   3.189 -14.691   1.504
  453    HA   THR  60           HA       THR  60   3.177 -14.769   4.299
  454    HB   THR  60           HB       THR  60   1.835 -12.754   4.003
  455    HG1  THR  60           1HG      THR  60   0.910 -14.222   5.435
  456   1HG2  THR  60          1HG2      THR  60   0.267 -14.226   1.881
  457   2HG2  THR  60          2HG2      THR  60   1.391 -12.897   1.613
  458   3HG2  THR  60          3HG2      THR  60  -0.107 -12.619   2.501
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1  -2.217 -13.953  11.079
    2   2H    LYS   1          2HT       LYS   1  -1.381 -12.675  10.436
    3   3H    LYS   1          3HT       LYS   1  -0.587 -13.705  11.527
    4    HA   LYS   1           HA       LYS   1   0.026 -14.046   9.214
    5   1HB   LYS   1          2HB       LYS   1  -0.486 -16.518   9.085
    6   2HB   LYS   1          1HB       LYS   1   0.137 -16.027  10.653
    7   1HG   LYS   1          2HG       LYS   1  -2.196 -15.968  11.499
    8   2HG   LYS   1          1HG       LYS   1  -2.734 -16.591   9.942
    9   1HD   LYS   1          2HD       LYS   1  -2.539 -18.364  11.637
   10   2HD   LYS   1          1HD       LYS   1  -1.424 -18.619  10.289
   11   1HE   LYS   1          2HE       LYS   1   0.421 -17.838  11.585
   12   2HE   LYS   1          1HE       LYS   1  -0.645 -17.274  12.869
   13   1HZ   LYS   1          1HZ       LYS   1  -1.200 -19.488  13.414
   14   2HZ   LYS   1          2HZ       LYS   1   0.471 -19.396  13.384
   15   3HZ   LYS   1          3HZ       LYS   1  -0.361 -20.130  12.094
   16    H    ASP   2           H        ASP   2  -0.999 -15.540   7.261
   17    HA   ASP   2           HA       ASP   2  -2.359 -15.542   5.451
   18   1HB   ASP   2          2HB       ASP   2  -4.429 -14.536   7.413
   19   2HB   ASP   2          1HB       ASP   2  -4.783 -14.608   5.694
   20    H    ARG   3           H        ARG   3  -3.081 -12.550   7.113
   21    HA   ARG   3           HA       ARG   3  -1.811 -11.050   4.957
   22   1HB   ARG   3          2HB       ARG   3  -4.604 -10.450   5.976
   23   2HB   ARG   3          1HB       ARG   3  -3.676  -9.469   4.879
   24   1HG   ARG   3          2HG       ARG   3  -3.918 -11.174   3.150
   25   2HG   ARG   3          1HG       ARG   3  -4.836 -12.187   4.278
   26   1HD   ARG   3          2HD       ARG   3  -6.445 -10.358   4.579
   27   2HD   ARG   3          1HD       ARG   3  -5.556  -9.391   3.420
   28    HE   ARG   3           HE       ARG   3  -6.271 -11.736   2.146
   29   1HH1  ARG   3          1HH1      ARG   3  -7.940  -9.119   3.820
   30   2HH1  ARG   3          2HH1      ARG   3  -9.266  -9.022   2.772
   31   1HH2  ARG   3          1HH2      ARG   3  -8.189 -11.653   0.615
   32   2HH2  ARG   3          2HH2      ARG   3  -9.391 -10.479   0.922
   33    HA   PRO   4           HA       PRO   4  -1.050  -8.911   8.827
   34   1HB   PRO   4          2HB       PRO   4   0.031  -6.761   7.012
   35   2HB   PRO   4          1HB       PRO   4   0.817  -7.498   8.413
   36   1HG   PRO   4          2HG       PRO   4   1.575  -8.102   5.911
   37   2HG   PRO   4          1HG       PRO   4   1.578  -9.315   7.201
   38   1HD   PRO   4          2HD       PRO   4  -0.391  -8.912   4.985
   39   2HD   PRO   4          1HD       PRO   4   0.225 -10.426   5.683
   40    H    SER   5           H        SER   5  -2.904  -7.658   9.520
   41    HA   SER   5           HA       SER   5  -4.926  -7.104   7.860
   42   1HB   SER   5          2HB       SER   5  -4.387  -5.966  10.582
   43   2HB   SER   5          1HB       SER   5  -5.960  -5.975   9.769
   44    HG   SER   5           HG       SER   5  -5.585  -8.261   9.498
   45    H    LEU   6           H        LEU   6  -2.119  -5.049   8.290
   46    HA   LEU   6           HA       LEU   6  -3.483  -2.694   7.714
   47   1HB   LEU   6          2HB       LEU   6  -1.151  -1.773   7.544
   48   2HB   LEU   6          1HB       LEU   6  -1.599  -2.455   9.084
   49    HG   LEU   6           HG       LEU   6  -0.300  -4.536   8.408
   50   1HD1  LEU   6          1HD1      LEU   6   1.447  -4.285   6.723
   51   2HD1  LEU   6          2HD1      LEU   6   0.772  -2.726   6.253
   52   3HD1  LEU   6          3HD1      LEU   6  -0.168  -4.202   6.018
   53   1HD2  LEU   6          1HD2      LEU   6   1.856  -3.539   8.992
   54   2HD2  LEU   6          2HD2      LEU   6   0.544  -2.937  10.008
   55   3HD2  LEU   6          3HD2      LEU   6   1.185  -1.937   8.705
   56    H    CYS   7           H        CYS   7  -2.591  -5.299   5.788
   57    HA   CYS   7           HA       CYS   7  -2.005  -3.840   3.404
   58   1HB   CYS   7          2HB       CYS   7  -2.829  -6.714   3.828
   59   2HB   CYS   7          1HB       CYS   7  -2.146  -6.039   2.355
   60    H    ASP   8           H        ASP   8  -4.772  -4.807   5.201
   61    HA   ASP   8           HA       ASP   8  -6.687  -4.489   2.985
   62   1HB   ASP   8          2HB       ASP   8  -6.816  -6.573   4.433
   63   2HB   ASP   8          1HB       ASP   8  -7.118  -5.540   5.823
   64    H    LEU   9           H        LEU   9  -5.221  -2.262   4.124
   65    HA   LEU   9           HA       LEU   9  -6.879  -1.145   6.217
   66   1HB   LEU   9          2HB       LEU   9  -4.348  -1.581   6.568
   67   2HB   LEU   9          1HB       LEU   9  -4.084  -0.352   5.370
   68    HG   LEU   9           HG       LEU   9  -3.712   0.468   7.626
   69   1HD1  LEU   9          1HD1      LEU   9  -4.423   2.094   6.022
   70   2HD1  LEU   9          2HD1      LEU   9  -5.095   2.466   7.612
   71   3HD1  LEU   9          3HD1      LEU   9  -6.115   1.739   6.368
   72   1HD2  LEU   9          1HD2      LEU   9  -6.610  -0.183   8.113
   73   2HD2  LEU   9          2HD2      LEU   9  -5.575   0.735   9.205
   74   3HD2  LEU   9          3HD2      LEU   9  -5.211  -0.957   8.860
   75    HA   PRO  10           HA       PRO  10  -9.066   1.148   3.409
   76   1HB   PRO  10          2HB       PRO  10  -7.889   3.384   4.969
   77   2HB   PRO  10          1HB       PRO  10  -9.553   3.125   4.429
   78   1HG   PRO  10          2HG       PRO  10  -8.526   2.439   6.929
   79   2HG   PRO  10          1HG       PRO  10 -10.038   1.839   6.224
   80   1HD   PRO  10          2HD       PRO  10  -7.713   0.337   6.808
   81   2HD   PRO  10          1HD       PRO  10  -9.127  -0.205   5.880
   82    H    ALA  11           H        ALA  11  -8.551   1.185   1.568
   83    HA   ALA  11           HA       ALA  11  -6.039   2.374   0.326
   84   1HB   ALA  11          1HB       ALA  11  -8.715   1.391  -0.835
   85   2HB   ALA  11          2HB       ALA  11  -7.197   0.510  -0.964
   86   3HB   ALA  11          3HB       ALA  11  -7.399   2.049  -1.807
   87    H    ASP  12           H        ASP  12  -5.936   4.057   1.182
   88    HA   ASP  12           HA       ASP  12  -8.002   6.097   0.722
   89   1HB   ASP  12          2HB       ASP  12  -8.204   5.432   3.090
   90   2HB   ASP  12          1HB       ASP  12  -6.490   5.759   3.318
   91    H    SER  13           H        SER  13  -7.617   8.096   0.223
   92    HA   SER  13           HA       SER  13  -4.971   8.407  -1.061
   93   1HB   SER  13          2HB       SER  13  -6.261  10.244  -2.224
   94   2HB   SER  13          1HB       SER  13  -6.754   8.589  -2.601
   95    HG   SER  13           HG       SER  13  -8.070  10.458  -0.876
   96    H    GLY  14           H        GLY  14  -6.646   9.635   1.616
   97   1HA   GLY  14          2HA       GLY  14  -5.865  11.178   3.114
   98   2HA   GLY  14          1HA       GLY  14  -4.443  11.389   2.097
   99    H    SER  15           H        SER  15  -5.551  13.566   3.160
  100    HA   SER  15           HA       SER  15  -6.460  14.625   0.942
  101   1HB   SER  15          2HB       SER  15  -8.493  15.011   3.162
  102   2HB   SER  15          1HB       SER  15  -8.478  16.109   1.779
  103    HG   SER  15           HG       SER  15  -9.751  13.900   1.898
  104    H    GLY  16           H        GLY  16  -4.204  14.846   1.764
  105   1HA   GLY  16          2HA       GLY  16  -3.682  17.192   3.277
  106   2HA   GLY  16          1HA       GLY  16  -2.517  16.121   2.535
  107    H    THR  17           H        THR  17  -1.756  18.453   2.460
  108    HA   THR  17           HA       THR  17  -2.675  20.127   0.280
  109    HB   THR  17           HB       THR  17  -0.786  21.505   1.261
  110    HG1  THR  17           1HG      THR  17  -0.724  20.569   3.659
  111   1HG2  THR  17          1HG2      THR  17  -3.177  21.925   1.699
  112   2HG2  THR  17          2HG2      THR  17  -2.210  22.210   3.141
  113   3HG2  THR  17          3HG2      THR  17  -3.151  20.724   2.991
  114    H    LYS  18           H        LYS  18  -0.260  17.618   0.524
  115    HA   LYS  18           HA       LYS  18   1.656  18.751  -1.450
  116   1HB   LYS  18          2HB       LYS  18   2.518  18.366   0.903
  117   2HB   LYS  18          1HB       LYS  18   1.813  16.769   0.863
  118   1HG   LYS  18          2HG       LYS  18   4.153  16.551   0.548
  119   2HG   LYS  18          1HG       LYS  18   3.380  16.208  -0.995
  120   1HD   LYS  18          2HD       LYS  18   3.928  18.485  -1.746
  121   2HD   LYS  18          1HD       LYS  18   4.725  18.786  -0.194
  122   1HE   LYS  18          2HE       LYS  18   6.250  16.893  -0.655
  123   2HE   LYS  18          1HE       LYS  18   5.484  16.688  -2.225
  124   1HZ   LYS  18          1HZ       LYS  18   6.854  19.139  -1.319
  125   2HZ   LYS  18          2HZ       LYS  18   6.296  18.839  -2.911
  126   3HZ   LYS  18          3HZ       LYS  18   7.576  17.974  -2.288
  127    H    ALA  19           H        ALA  19   2.504  17.140  -2.835
  128    HA   ALA  19           HA       ALA  19   0.678  14.861  -3.258
  129   1HB   ALA  19          1HB       ALA  19   1.362  14.942  -5.611
  130   2HB   ALA  19          2HB       ALA  19   2.400  16.329  -5.275
  131   3HB   ALA  19          3HB       ALA  19   0.650  16.489  -5.143
  132    H    GLU  20           H        GLU  20   1.525  12.936  -2.899
  133    HA   GLU  20           HA       GLU  20   4.399  12.660  -3.054
  134   1HB   GLU  20          2HB       GLU  20   3.855  13.138  -0.731
  135   2HB   GLU  20          1HB       GLU  20   2.700  11.817  -0.702
  136   1HG   GLU  20          2HG       GLU  20   4.791  11.235   0.395
  137   2HG   GLU  20          1HG       GLU  20   4.474  10.222  -1.019
  138    H    LYS  21           H        LYS  21   5.034  10.606  -3.573
  139    HA   LYS  21           HA       LYS  21   2.997   8.860  -4.879
  140   1HB   LYS  21          2HB       LYS  21   4.935   9.850  -6.164
  141   2HB   LYS  21          1HB       LYS  21   5.991   8.931  -5.101
  142   1HG   LYS  21          2HG       LYS  21   4.759   6.869  -5.860
  143   2HG   LYS  21          1HG       LYS  21   4.005   7.883  -7.088
  144   1HD   LYS  21          2HD       LYS  21   5.876   6.855  -8.113
  145   2HD   LYS  21          1HD       LYS  21   6.335   8.534  -7.799
  146   1HE   LYS  21          2HE       LYS  21   7.498   7.824  -5.762
  147   2HE   LYS  21          1HE       LYS  21   7.029   6.152  -6.083
  148   1HZ   LYS  21          1HZ       LYS  21   8.956   7.828  -7.618
  149   2HZ   LYS  21          2HZ       LYS  21   8.228   6.475  -8.267
  150   3HZ   LYS  21          3HZ       LYS  21   9.177   6.301  -6.905
  151    H    ARG  22           H        ARG  22   2.224   7.343  -3.269
  152    HA   ARG  22           HA       ARG  22   4.435   5.996  -2.094
  153   1HB   ARG  22          2HB       ARG  22   1.615   6.438  -1.136
  154   2HB   ARG  22          1HB       ARG  22   2.792   5.430  -0.309
  155   1HG   ARG  22          2HG       ARG  22   3.168   8.372  -0.862
  156   2HG   ARG  22          1HG       ARG  22   2.511   7.728   0.640
  157   1HD   ARG  22          2HD       ARG  22   4.615   6.507   1.014
  158   2HD   ARG  22          1HD       ARG  22   5.263   7.177  -0.485
  159    HE   ARG  22           HE       ARG  22   5.324   9.317   0.502
  160   1HH1  ARG  22          1HH1      ARG  22   4.430   6.807   2.839
  161   2HH1  ARG  22          2HH1      ARG  22   4.823   7.707   4.206
  162   1HH2  ARG  22          1HH2      ARG  22   5.866  10.631   2.469
  163   2HH2  ARG  22          2HH2      ARG  22   5.587   9.928   3.981
  164    H    ILE  23           H        ILE  23   3.225   3.512  -1.382
  165    HA   ILE  23           HA       ILE  23   1.523   2.724  -3.615
  166    HB   ILE  23           HB       ILE  23   3.862   2.139  -4.273
  167   1HG1  ILE  23          2HG1      ILE  23   2.339  -0.363  -3.584
  168   2HG1  ILE  23          1HG1      ILE  23   1.982   0.677  -4.957
  169   1HG2  ILE  23          1HG2      ILE  23   4.856   1.847  -2.063
  170   2HG2  ILE  23          2HG2      ILE  23   5.133   0.443  -3.107
  171   3HG2  ILE  23          3HG2      ILE  23   3.906   0.364  -1.859
  172   1HD1  ILE  23          1HD1      ILE  23   4.552  -0.819  -4.502
  173   2HD1  ILE  23          2HD1      ILE  23   4.181   0.214  -5.888
  174   3HD1  ILE  23          3HD1      ILE  23   3.266  -1.270  -5.623
  175    H    TYR  24           H        TYR  24   0.006   1.016  -3.020
  176    HA   TYR  24           HA       TYR  24   0.224   0.207  -0.188
  177   1HB   TYR  24          2HB       TYR  24  -2.144   0.529   0.191
  178   2HB   TYR  24          1HB       TYR  24  -1.509   2.036  -0.434
  179    HD1  TYR  24           1HD      TYR  24  -3.838  -0.661  -0.892
  180    HD2  TYR  24           2HD      TYR  24  -2.115   2.682  -2.827
  181    HE1  TYR  24           1HE      TYR  24  -5.644  -0.714  -2.542
  182    HE2  TYR  24           2HE      TYR  24  -3.916   2.642  -4.487
  183    HH   TYR  24           HH       TYR  24  -6.745   0.730  -4.119
  184    H    TYR  25           H        TYR  25  -0.730  -1.657   0.160
  185    HA   TYR  25           HA       TYR  25  -0.617  -3.646  -1.882
  186   1HB   TYR  25          2HB       TYR  25  -0.266  -4.439   0.329
  187   2HB   TYR  25          1HB       TYR  25  -1.884  -3.949   0.827
  188    HD1  TYR  25           1HD      TYR  25  -0.237  -6.163  -1.719
  189    HD2  TYR  25           2HD      TYR  25  -3.533  -5.579   0.898
  190    HE1  TYR  25           1HE      TYR  25  -1.098  -8.398  -2.302
  191    HE2  TYR  25           2HE      TYR  25  -4.396  -7.804   0.328
  192    HH   TYR  25           HH       TYR  25  -2.527 -10.093  -1.338
  193    H    ASN  26           H        ASN  26  -2.287  -4.060  -3.433
  194    HA   ASN  26           HA       ASN  26  -5.004  -3.178  -2.771
  195   1HB   ASN  26          2HB       ASN  26  -3.963  -2.479  -4.976
  196   2HB   ASN  26          1HB       ASN  26  -3.914  -4.185  -5.411
  197   1HD2  ASN  26          1HD2      ASN  26  -5.878  -1.395  -5.034
  198   2HD2  ASN  26          2HD2      ASN  26  -7.333  -2.095  -5.632
  199    H    SER  27           H        SER  27  -6.359  -4.440  -2.293
  200    HA   SER  27           HA       SER  27  -5.463  -7.059  -1.793
  201   1HB   SER  27          2HB       SER  27  -6.726  -5.961  -0.022
  202   2HB   SER  27          1HB       SER  27  -8.181  -5.974  -1.020
  203    HG   SER  27           HG       SER  27  -8.457  -8.005  -0.672
  204    H    ALA  28           H        ALA  28  -7.839  -5.763  -4.019
  205    HA   ALA  28           HA       ALA  28  -9.041  -8.254  -4.619
  206   1HB   ALA  28          1HB       ALA  28 -10.276  -6.208  -4.907
  207   2HB   ALA  28          2HB       ALA  28 -10.142  -7.036  -6.459
  208   3HB   ALA  28          3HB       ALA  28  -9.120  -5.642  -6.114
  209    H    ARG  29           H        ARG  29  -6.642  -6.191  -5.961
  210    HA   ARG  29           HA       ARG  29  -6.060  -7.865  -8.292
  211   1HB   ARG  29          2HB       ARG  29  -4.552  -5.448  -7.261
  212   2HB   ARG  29          1HB       ARG  29  -4.170  -6.308  -8.745
  213   1HG   ARG  29          2HG       ARG  29  -6.773  -4.895  -8.208
  214   2HG   ARG  29          1HG       ARG  29  -5.414  -4.213  -9.096
  215   1HD   ARG  29          2HD       ARG  29  -7.011  -6.658  -9.846
  216   2HD   ARG  29          1HD       ARG  29  -7.061  -5.085 -10.643
  217    HE   ARG  29           HE       ARG  29  -4.743  -6.921 -10.651
  218   1HH1  ARG  29          1HH1      ARG  29  -6.539  -4.273 -12.228
  219   2HH1  ARG  29          2HH1      ARG  29  -5.628  -4.369 -13.648
  220   1HH2  ARG  29          1HH2      ARG  29  -3.521  -6.982 -12.548
  221   2HH2  ARG  29          2HH2      ARG  29  -3.836  -5.876 -13.829
  222    H    LYS  30           H        LYS  30  -5.268  -7.992  -5.131
  223    HA   LYS  30           HA       LYS  30  -3.661  -8.905  -3.763
  224   1HB   LYS  30          2HB       LYS  30  -4.573 -10.957  -4.915
  225   2HB   LYS  30          1HB       LYS  30  -3.287 -10.820  -6.107
  226   1HG   LYS  30          2HG       LYS  30  -1.701 -10.948  -4.070
  227   2HG   LYS  30          1HG       LYS  30  -3.108 -11.580  -3.220
  228   1HD   LYS  30          2HD       LYS  30  -3.280 -13.390  -4.816
  229   2HD   LYS  30          1HD       LYS  30  -1.942 -12.712  -5.754
  230   1HE   LYS  30          2HE       LYS  30  -0.557 -12.902  -3.640
  231   2HE   LYS  30          1HE       LYS  30  -1.860 -13.888  -2.989
  232   1HZ   LYS  30          1HZ       LYS  30  -1.555 -15.393  -4.907
  233   2HZ   LYS  30          2HZ       LYS  30  -0.186 -15.281  -3.920
  234   3HZ   LYS  30          3HZ       LYS  30  -0.234 -14.451  -5.395
  235    H    GLN  31           H        GLN  31  -2.843  -6.982  -5.143
  236    HA   GLN  31           HA       GLN  31   0.205  -7.085  -5.372
  237   1HB   GLN  31          2HB       GLN  31   0.428  -6.293  -7.533
  238   2HB   GLN  31          1HB       GLN  31  -0.643  -7.676  -7.626
  239   1HG   GLN  31          2HG       GLN  31  -2.545  -6.115  -7.781
  240   2HG   GLN  31          1HG       GLN  31  -1.391  -4.777  -7.810
  241   1HE2  GLN  31          1HE2      GLN  31  -1.928  -4.134  -9.911
  242   2HE2  GLN  31          2HE2      GLN  31  -1.480  -5.079 -11.273
  243    H    CYS  32           H        CYS  32   1.494  -5.301  -5.081
  244    HA   CYS  32           HA       CYS  32  -0.254  -3.735  -3.792
  245   1HB   CYS  32          2HB       CYS  32   1.842  -2.535  -2.858
  246   2HB   CYS  32          1HB       CYS  32   1.523  -4.192  -2.388
  247    H    LEU  33           H        LEU  33  -0.442  -1.348  -4.542
  248    HA   LEU  33           HA       LEU  33   0.998  -0.461  -6.944
  249   1HB   LEU  33          2HB       LEU  33  -1.077  -0.149  -8.190
  250   2HB   LEU  33          1HB       LEU  33  -0.742  -1.843  -7.951
  251    HG   LEU  33           HG       LEU  33  -2.499  -1.791  -6.102
  252   1HD1  LEU  33          1HD1      LEU  33  -4.173  -0.026  -6.225
  253   2HD1  LEU  33          2HD1      LEU  33  -3.177   0.853  -7.386
  254   3HD1  LEU  33          3HD1      LEU  33  -2.604   0.607  -5.741
  255   1HD2  LEU  33          1HD2      LEU  33  -4.337  -1.969  -7.691
  256   2HD2  LEU  33          2HD2      LEU  33  -2.888  -2.779  -8.281
  257   3HD2  LEU  33          3HD2      LEU  33  -3.344  -1.202  -8.931
  258    H    ARG  34           H        ARG  34   0.642   1.443  -7.585
  259    HA   ARG  34           HA       ARG  34   1.087   3.140  -5.340
  260   1HB   ARG  34          2HB       ARG  34   2.578   2.990  -7.303
  261   2HB   ARG  34          1HB       ARG  34   1.296   3.569  -8.329
  262   1HG   ARG  34          2HG       ARG  34   2.584   5.215  -6.148
  263   2HG   ARG  34          1HG       ARG  34   3.133   5.192  -7.817
  264   1HD   ARG  34          2HD       ARG  34   0.746   5.902  -8.421
  265   2HD   ARG  34          1HD       ARG  34   0.550   6.193  -6.690
  266    HE   ARG  34           HE       ARG  34   2.848   7.495  -7.535
  267   1HH1  ARG  34          1HH1      ARG  34  -0.679   7.729  -8.035
  268   2HH1  ARG  34          2HH1      ARG  34  -0.600   9.430  -8.267
  269   1HH2  ARG  34          1HH2      ARG  34   2.832   9.915  -7.919
  270   2HH2  ARG  34          2HH2      ARG  34   1.290  10.590  -8.171
  271    H    PHE  35           H        PHE  35   0.093   4.725  -4.799
  272    HA   PHE  35           HA       PHE  35  -2.348   5.215  -6.041
  273   1HB   PHE  35          2HB       PHE  35  -3.587   5.717  -3.857
  274   2HB   PHE  35          1HB       PHE  35  -2.957   4.096  -4.056
  275    HD1  PHE  35           1HD      PHE  35  -0.487   3.797  -2.945
  276    HD2  PHE  35           2HD      PHE  35  -3.378   6.703  -1.828
  277    HE1  PHE  35           1HE      PHE  35   0.515   3.939  -0.707
  278    HE2  PHE  35           2HE      PHE  35  -2.366   6.854   0.396
  279    HZ   PHE  35           HZ       PHE  35  -0.423   5.473   0.965
  280    H    ASP  36           H        ASP  36  -3.106   7.868  -5.159
  281    HA   ASP  36           HA       ASP  36  -0.652   9.163  -4.996
  282   1HB   ASP  36          2HB       ASP  36  -2.164  10.004  -6.723
  283   2HB   ASP  36          1HB       ASP  36  -3.476  10.147  -5.566
  284    H    TYR  37           H        TYR  37  -0.025   9.752  -2.967
  285    HA   TYR  37           HA       TYR  37  -2.010   9.920  -0.810
  286   1HB   TYR  37          2HB       TYR  37  -0.251   8.130  -0.762
  287   2HB   TYR  37          1HB       TYR  37   0.966   9.382  -0.812
  288    HD1  TYR  37           1HD      TYR  37   1.692  10.460   1.203
  289    HD2  TYR  37           2HD      TYR  37  -1.847   8.107   1.238
  290    HE1  TYR  37           1HE      TYR  37   1.594  10.654   3.647
  291    HE2  TYR  37           2HE      TYR  37  -1.958   8.294   3.678
  292    HH   TYR  37           HH       TYR  37  -0.085  10.492   5.443
  293    H    THR  38           H        THR  38  -2.058  11.936   0.393
  294    HA   THR  38           HA       THR  38  -0.562  13.764  -1.134
  295    HB   THR  38           HB       THR  38  -2.150  15.298   0.199
  296    HG1  THR  38           1HG      THR  38  -3.821  13.103   0.140
  297   1HG2  THR  38          1HG2      THR  38  -3.830  14.902  -1.528
  298   2HG2  THR  38          2HG2      THR  38  -3.101  13.340  -1.897
  299   3HG2  THR  38          3HG2      THR  38  -2.211  14.829  -2.222
  300    H    GLY  39           H        GLY  39  -0.837  13.143   2.406
  301   1HA   GLY  39          2HA       GLY  39   1.592  12.962   3.303
  302   2HA   GLY  39          1HA       GLY  39   1.764  14.538   2.544
  303    H    GLN  40           H        GLN  40  -1.351  14.699   3.625
  304    HA   GLN  40           HA       GLN  40  -0.639  14.759   6.341
  305   1HB   GLN  40          2HB       GLN  40  -0.618  17.108   5.635
  306   2HB   GLN  40          1HB       GLN  40  -2.174  16.921   4.843
  307   1HG   GLN  40          2HG       GLN  40  -2.440  18.122   6.926
  308   2HG   GLN  40          1HG       GLN  40  -3.241  16.561   7.016
  309   1HE2  GLN  40          1HE2      GLN  40  -2.366  18.287   9.155
  310   2HE2  GLN  40          2HE2      GLN  40  -1.322  17.350  10.149
  311    H    GLY  41           H        GLY  41  -2.375  13.329   7.301
  312   1HA   GLY  41          2HA       GLY  41  -4.665  12.924   7.591
  313   2HA   GLY  41          1HA       GLY  41  -4.977  13.841   6.139
  314    H    GLY  42           H        GLY  42  -2.997  10.858   6.593
  315   1HA   GLY  42          2HA       GLY  42  -4.650   9.734   4.414
  316   2HA   GLY  42          1HA       GLY  42  -2.923   9.460   4.566
  317    H    ASN  43           H        ASN  43  -3.134   7.181   4.561
  318    HA   ASN  43           HA       ASN  43  -4.563   5.712   6.702
  319   1HB   ASN  43          2HB       ASN  43  -4.831   4.061   4.994
  320   2HB   ASN  43          1HB       ASN  43  -5.509   5.549   4.350
  321   1HD2  ASN  43          1HD2      ASN  43  -4.552   3.237   2.902
  322   2HD2  ASN  43          2HD2      ASN  43  -3.218   3.781   1.920
  323    H    GLU  44           H        GLU  44  -3.577   3.746   7.176
  324    HA   GLU  44           HA       GLU  44  -0.757   4.021   7.716
  325   1HB   GLU  44          2HB       GLU  44  -2.700   1.807   8.352
  326   2HB   GLU  44          1HB       GLU  44  -1.085   2.012   9.009
  327   1HG   GLU  44          2HG       GLU  44  -3.460   3.793   9.456
  328   2HG   GLU  44          1HG       GLU  44  -2.698   2.723  10.632
  329    H    ASN  45           H        ASN  45  -2.717   2.420   5.390
  330    HA   ASN  45           HA       ASN  45  -0.644   0.540   4.562
  331   1HB   ASN  45          2HB       ASN  45  -3.096  -0.055   4.381
  332   2HB   ASN  45          1HB       ASN  45  -3.328   1.320   3.323
  333   1HD2  ASN  45          1HD2      ASN  45  -4.289  -0.294   1.982
  334   2HD2  ASN  45          2HD2      ASN  45  -3.318  -1.241   0.917
  335    H    ASN  46           H        ASN  46   0.889   1.841   4.368
  336    HA   ASN  46           HA       ASN  46   0.961   3.649   2.082
  337   1HB   ASN  46          2HB       ASN  46   0.350   4.945   4.106
  338   2HB   ASN  46          1HB       ASN  46   1.796   4.347   4.898
  339   1HD2  ASN  46          1HD2      ASN  46   1.012   7.001   4.449
  340   2HD2  ASN  46          2HD2      ASN  46   2.241   7.774   3.528
  341    H    PHE  47           H        PHE  47   2.561   2.652   0.952
  342    HA   PHE  47           HA       PHE  47   4.869   1.995   2.514
  343   1HB   PHE  47          2HB       PHE  47   3.926   0.783  -0.075
  344   2HB   PHE  47          1HB       PHE  47   5.478   0.402   0.667
  345    HD1  PHE  47           1HD      PHE  47   5.485  -0.615   2.968
  346    HD2  PHE  47           2HD      PHE  47   1.937  -0.227   0.659
  347    HE1  PHE  47           1HE      PHE  47   4.376  -2.285   4.385
  348    HE2  PHE  47           2HE      PHE  47   0.825  -1.897   2.075
  349    HZ   PHE  47           HZ       PHE  47   2.044  -2.926   3.938
  350    H    ARG  48           H        ARG  48   6.816   2.751   1.662
  351    HA   ARG  48           HA       ARG  48   6.749   4.923  -0.396
  352   1HB   ARG  48          2HB       ARG  48   7.684   5.462   1.868
  353   2HB   ARG  48          1HB       ARG  48   8.922   4.243   1.587
  354   1HG   ARG  48          2HG       ARG  48  10.032   6.156   0.952
  355   2HG   ARG  48          1HG       ARG  48   9.400   5.592  -0.586
  356   1HD   ARG  48          2HD       ARG  48   8.859   7.883  -0.658
  357   2HD   ARG  48          1HD       ARG  48   7.379   7.217  -0.029
  358    HE   ARG  48           HE       ARG  48   8.578   7.699   2.236
  359   1HH1  ARG  48          1HH1      ARG  48   8.551   9.686  -0.677
  360   2HH1  ARG  48          2HH1      ARG  48   8.782  11.163   0.128
  361   1HH2  ARG  48          1HH2      ARG  48   8.911   9.744   3.402
  362   2HH2  ARG  48          2HH2      ARG  48   8.973  11.187   2.533
  363    H    ARG  49           H        ARG  49   7.689   1.512   0.002
  364    HA   ARG  49           HA       ARG  49   9.400   1.920  -2.224
  365   1HB   ARG  49          2HB       ARG  49  10.750   1.769  -0.186
  366   2HB   ARG  49          1HB       ARG  49   9.966   0.258   0.244
  367   1HG   ARG  49          2HG       ARG  49  11.010  -0.858  -1.618
  368   2HG   ARG  49          1HG       ARG  49  11.698   0.664  -2.186
  369   1HD   ARG  49          2HD       ARG  49  12.944   0.842  -0.050
  370   2HD   ARG  49          1HD       ARG  49  12.318  -0.736   0.415
  371    HE   ARG  49           HE       ARG  49  13.500  -1.512  -1.731
  372   1HH1  ARG  49          1HH1      ARG  49  14.714   1.071   0.383
  373   2HH1  ARG  49          2HH1      ARG  49  16.329   0.903  -0.092
  374   1HH2  ARG  49          1HH2      ARG  49  15.707  -1.825  -2.317
  375   2HH2  ARG  49          2HH2      ARG  49  16.923  -0.810  -1.671
  376    H    THR  50           H        THR  50   9.185   0.269  -3.735
  377    HA   THR  50           HA       THR  50   6.777  -1.109  -3.900
  378    HB   THR  50           HB       THR  50   9.232  -1.627  -5.576
  379    HG1  THR  50           1HG      THR  50   7.381   0.568  -5.755
  380   1HG2  THR  50          1HG2      THR  50   7.198  -2.940  -6.090
  381   2HG2  THR  50          2HG2      THR  50   7.565  -1.794  -7.376
  382   3HG2  THR  50          3HG2      THR  50   6.275  -1.445  -6.224
  383    H    TYR  51           H        TYR  51   9.960  -2.252  -2.842
  384    HA   TYR  51           HA       TYR  51   9.140  -4.985  -2.889
  385   1HB   TYR  51          2HB       TYR  51  11.512  -4.519  -3.076
  386   2HB   TYR  51          1HB       TYR  51  11.514  -3.669  -1.536
  387    HD1  TYR  51           1HD      TYR  51  12.259  -4.800   0.338
  388    HD2  TYR  51           2HD      TYR  51  10.740  -7.049  -2.937
  389    HE1  TYR  51           1HE      TYR  51  12.823  -6.881   1.511
  390    HE2  TYR  51           2HE      TYR  51  11.301  -9.134  -1.776
  391    HH   TYR  51           HH       TYR  51  12.838  -9.880  -0.038
  392    H    ASP  52           H        ASP  52   9.331  -2.462  -0.467
  393    HA   ASP  52           HA       ASP  52   8.758  -4.065   1.812
  394   1HB   ASP  52          2HB       ASP  52   8.223  -1.141   1.314
  395   2HB   ASP  52          1HB       ASP  52   7.681  -1.915   2.798
  396    H    CYS  53           H        CYS  53   6.451  -2.436  -0.301
  397    HA   CYS  53           HA       CYS  53   4.127  -3.344   1.046
  398   1HB   CYS  53          2HB       CYS  53   2.914  -3.056  -1.087
  399   2HB   CYS  53          1HB       CYS  53   3.897  -1.676  -0.645
  400    H    GLN  54           H        GLN  54   5.644  -4.564  -1.463
  401    HA   GLN  54           HA       GLN  54   4.308  -7.076  -1.887
  402   1HB   GLN  54          2HB       GLN  54   5.435  -6.305  -3.749
  403   2HB   GLN  54          1HB       GLN  54   7.037  -6.470  -2.987
  404   1HG   GLN  54          2HG       GLN  54   6.808  -8.861  -3.093
  405   2HG   GLN  54          1HG       GLN  54   5.137  -8.712  -3.643
  406   1HE2  GLN  54          1HE2      GLN  54   4.733  -8.034  -5.724
  407   2HE2  GLN  54          2HE2      GLN  54   5.923  -8.079  -6.970
  408    H    ARG  55           H        ARG  55   7.197  -6.639  -0.152
  409    HA   ARG  55           HA       ARG  55   7.551  -9.417   0.724
  410   1HB   ARG  55          2HB       ARG  55   9.298  -7.572   0.824
  411   2HB   ARG  55          1HB       ARG  55   8.321  -6.815   2.063
  412   1HG   ARG  55          2HG       ARG  55   8.646  -8.850   3.461
  413   2HG   ARG  55          1HG       ARG  55   9.773  -9.436   2.229
  414   1HD   ARG  55          2HD       ARG  55  10.995  -7.270   2.450
  415   2HD   ARG  55          1HD       ARG  55   9.977  -6.914   3.835
  416    HE   ARG  55           HE       ARG  55  11.197  -9.398   4.226
  417   1HH1  ARG  55          1HH1      ARG  55  11.924  -5.944   4.180
  418   2HH1  ARG  55          2HH1      ARG  55  13.350  -6.061   5.094
  419   1HH2  ARG  55          1HH2      ARG  55  13.155  -9.610   5.407
  420   2HH2  ARG  55          2HH2      ARG  55  14.107  -8.235   5.809
  421    H    THR  56           H        THR  56   5.976  -6.566   2.473
  422    HA   THR  56           HA       THR  56   5.354  -8.543   4.336
  423    HB   THR  56           HB       THR  56   5.701  -6.236   5.070
  424    HG1  THR  56           1HG      THR  56   3.647  -7.803   5.803
  425   1HG2  THR  56          1HG2      THR  56   3.067  -5.650   3.713
  426   2HG2  THR  56          2HG2      THR  56   4.649  -5.059   3.205
  427   3HG2  THR  56          3HG2      THR  56   3.965  -4.536   4.747
  428    H    CYS  57           H        CYS  57   3.473  -7.315   1.622
  429    HA   CYS  57           HA       CYS  57   1.159  -8.738   2.693
  430   1HB   CYS  57          2HB       CYS  57   1.247  -6.750   0.446
  431   2HB   CYS  57          1HB       CYS  57  -0.185  -7.452   1.181
  432    H    LEU  58           H        LEU  58   3.499  -9.262   0.204
  433    HA   LEU  58           HA       LEU  58   1.568 -10.982  -1.119
  434   1HB   LEU  58          2HB       LEU  58   2.771  -9.421  -2.573
  435   2HB   LEU  58          1HB       LEU  58   4.290 -10.158  -2.113
  436    HG   LEU  58           HG       LEU  58   3.497 -12.297  -3.137
  437   1HD1  LEU  58          1HD1      LEU  58   1.604 -12.227  -4.671
  438   2HD1  LEU  58          2HD1      LEU  58   1.241 -10.585  -4.147
  439   3HD1  LEU  58          3HD1      LEU  58   1.114 -11.925  -3.003
  440   1HD2  LEU  58          1HD2      LEU  58   4.969 -10.791  -4.358
  441   2HD2  LEU  58          2HD2      LEU  58   3.571  -9.904  -4.967
  442   3HD2  LEU  58          3HD2      LEU  58   3.835 -11.582  -5.452
  443    H    TYR  59           H        TYR  59   4.316 -11.159   0.933
  444    HA   TYR  59           HA       TYR  59   4.810 -13.875   0.116
  445   1HB   TYR  59          2HB       TYR  59   6.458 -12.020   1.842
  446   2HB   TYR  59          1HB       TYR  59   6.827 -13.727   1.651
  447    HD1  TYR  59           1HD      TYR  59   8.011 -14.494  -0.206
  448    HD2  TYR  59           2HD      TYR  59   6.486 -10.539  -0.232
  449    HE1  TYR  59           1HE      TYR  59   9.271 -14.032  -2.253
  450    HE2  TYR  59           2HE      TYR  59   7.744 -10.057  -2.278
  451    HH   TYR  59           HH       TYR  59   9.592 -10.841  -3.541
  452    H    THR  60           H        THR  60   2.827 -14.700   1.089
  453    HA   THR  60           HA       THR  60   2.940 -15.020   3.863
  454    HB   THR  60           HB       THR  60   1.811 -12.840   3.724
  455    HG1  THR  60           1HG      THR  60  -0.467 -13.892   4.309
  456   1HG2  THR  60          1HG2      THR  60  -0.347 -12.570   2.541
  457   2HG2  THR  60          2HG2      THR  60  -0.161 -14.190   1.870
  458   3HG2  THR  60          3HG2      THR  60   0.980 -12.921   1.430
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1  -1.427 -12.469   8.246
    2   2H    LYS   1          2HT       LYS   1  -1.042 -13.163   9.719
    3   3H    LYS   1          3HT       LYS   1  -2.359 -13.756   8.846
    4    HA   LYS   1           HA       LYS   1   0.492 -13.784   8.150
    5   1HB   LYS   1          2HB       LYS   1   0.406 -16.269   8.370
    6   2HB   LYS   1          1HB       LYS   1   0.087 -15.430   9.875
    7   1HG   LYS   1          2HG       LYS   1  -2.286 -15.874   9.651
    8   2HG   LYS   1          1HG       LYS   1  -2.014 -16.628   8.077
    9   1HD   LYS   1          2HD       LYS   1  -2.264 -18.322   9.818
   10   2HD   LYS   1          1HD       LYS   1  -0.629 -18.355   9.155
   11   1HE   LYS   1          2HE       LYS   1   0.117 -16.987  11.084
   12   2HE   LYS   1          1HE       LYS   1  -1.509 -17.097  11.755
   13   1HZ   LYS   1          1HZ       LYS   1   0.363 -19.338  11.249
   14   2HZ   LYS   1          2HZ       LYS   1  -1.226 -19.551  11.746
   15   3HZ   LYS   1          3HZ       LYS   1  -0.112 -18.738  12.761
   16    H    ASP   2           H        ASP   2  -2.782 -14.425   6.962
   17    HA   ASP   2           HA       ASP   2  -1.902 -15.375   4.421
   18   1HB   ASP   2          2HB       ASP   2  -4.255 -15.605   5.271
   19   2HB   ASP   2          1HB       ASP   2  -4.443 -13.859   5.152
   20    H    ARG   3           H        ARG   3  -2.493 -12.379   6.028
   21    HA   ARG   3           HA       ARG   3  -0.410 -11.015   4.892
   22   1HB   ARG   3          2HB       ARG   3  -1.483  -9.340   3.548
   23   2HB   ARG   3          1HB       ARG   3  -2.220 -10.824   2.988
   24   1HG   ARG   3          2HG       ARG   3  -3.445  -8.827   4.896
   25   2HG   ARG   3          1HG       ARG   3  -3.844  -9.015   3.193
   26   1HD   ARG   3          2HD       ARG   3  -4.746 -11.204   3.615
   27   2HD   ARG   3          1HD       ARG   3  -4.211 -11.140   5.295
   28    HE   ARG   3           HE       ARG   3  -6.347  -9.589   4.059
   29   1HH1  ARG   3          1HH1      ARG   3  -4.583 -10.526   7.017
   30   2HH1  ARG   3          2HH1      ARG   3  -5.854 -10.209   8.089
   31   1HH2  ARG   3          1HH2      ARG   3  -8.124  -9.087   5.553
   32   2HH2  ARG   3          2HH2      ARG   3  -7.918  -9.312   7.243
   33    HA   PRO   4           HA       PRO   4  -1.619  -8.680   8.773
   34   1HB   PRO   4          2HB       PRO   4  -0.697  -6.324   7.249
   35   2HB   PRO   4          1HB       PRO   4  -0.123  -6.933   8.804
   36   1HG   PRO   4          2HG       PRO   4   1.407  -7.113   6.658
   37   2HG   PRO   4          1HG       PRO   4   1.325  -8.467   7.803
   38   1HD   PRO   4          2HD       PRO   4  -0.030  -8.137   5.159
   39   2HD   PRO   4          1HD       PRO   4   0.786  -9.562   5.838
   40    H    SER   5           H        SER   5  -3.495  -7.638   9.283
   41    HA   SER   5           HA       SER   5  -5.542  -7.328   7.542
   42   1HB   SER   5          2HB       SER   5  -5.180  -6.010  10.219
   43   2HB   SER   5          1HB       SER   5  -6.721  -6.233   9.387
   44    HG   SER   5           HG       SER   5  -6.708  -8.264   9.824
   45    H    LEU   6           H        LEU   6  -2.890  -5.130   7.946
   46    HA   LEU   6           HA       LEU   6  -4.390  -2.780   7.302
   47   1HB   LEU   6          2HB       LEU   6  -2.123  -1.732   7.451
   48   2HB   LEU   6          1HB       LEU   6  -2.746  -2.416   8.928
   49    HG   LEU   6           HG       LEU   6  -1.242  -4.412   8.512
   50   1HD1  LEU   6          1HD1      LEU   6   0.682  -4.117   7.060
   51   2HD1  LEU   6          2HD1      LEU   6   0.021  -2.591   6.474
   52   3HD1  LEU   6          3HD1      LEU   6  -0.822  -4.104   6.138
   53   1HD2  LEU   6          1HD2      LEU   6   0.033  -1.716   8.897
   54   2HD2  LEU   6          2HD2      LEU   6   0.741  -3.265   9.349
   55   3HD2  LEU   6          3HD2      LEU   6  -0.731  -2.704  10.142
   56    H    CYS   7           H        CYS   7  -3.217  -5.290   5.640
   57    HA   CYS   7           HA       CYS   7  -2.450  -3.829   3.274
   58   1HB   CYS   7          2HB       CYS   7  -3.152  -6.751   3.591
   59   2HB   CYS   7          1HB       CYS   7  -2.362  -6.029   2.190
   60    H    ASP   8           H        ASP   8  -5.259  -4.897   4.724
   61    HA   ASP   8           HA       ASP   8  -7.021  -4.669   2.413
   62   1HB   ASP   8          2HB       ASP   8  -7.236  -6.599   4.065
   63   2HB   ASP   8          1HB       ASP   8  -7.751  -5.424   5.269
   64    H    LEU   9           H        LEU   9  -5.685  -2.358   3.182
   65    HA   LEU   9           HA       LEU   9  -6.466  -0.965   5.502
   66   1HB   LEU   9          2HB       LEU   9  -4.981   0.691   4.650
   67   2HB   LEU   9          1HB       LEU   9  -4.232  -0.874   4.401
   68    HG   LEU   9           HG       LEU   9  -5.760   0.409   2.147
   69   1HD1  LEU   9          1HD1      LEU   9  -4.250   2.135   2.917
   70   2HD1  LEU   9          2HD1      LEU   9  -3.707   1.463   1.380
   71   3HD1  LEU   9          3HD1      LEU   9  -2.909   0.991   2.881
   72   1HD2  LEU   9          1HD2      LEU   9  -3.344  -1.380   2.252
   73   2HD2  LEU   9          2HD2      LEU   9  -4.145  -0.799   0.789
   74   3HD2  LEU   9          3HD2      LEU   9  -4.997  -1.884   1.893
   75    HA   PRO  10           HA       PRO  10  -9.341   1.598   3.368
   76   1HB   PRO  10          2HB       PRO  10  -8.180   4.051   4.484
   77   2HB   PRO  10          1HB       PRO  10  -9.773   3.339   4.766
   78   1HG   PRO  10          2HG       PRO  10  -7.807   3.366   6.641
   79   2HG   PRO  10          1HG       PRO  10  -9.044   2.097   6.547
   80   1HD   PRO  10          2HD       PRO  10  -6.216   2.060   5.605
   81   2HD   PRO  10          1HD       PRO  10  -7.168   0.775   6.377
   82    H    ALA  11           H        ALA  11  -8.905   1.572   1.337
   83    HA   ALA  11           HA       ALA  11  -6.451   2.765   0.041
   84   1HB   ALA  11          1HB       ALA  11  -9.049   1.570  -1.092
   85   2HB   ALA  11          2HB       ALA  11  -7.482   0.771  -1.136
   86   3HB   ALA  11          3HB       ALA  11  -7.759   2.225  -2.097
   87    H    ASP  12           H        ASP  12  -6.621   4.562   0.969
   88    HA   ASP  12           HA       ASP  12  -8.861   6.325   0.351
   89   1HB   ASP  12          2HB       ASP  12  -9.016   5.719   2.750
   90   2HB   ASP  12          1HB       ASP  12  -7.363   6.274   2.982
   91    H    SER  13           H        SER  13  -8.533   8.490  -0.006
   92    HA   SER  13           HA       SER  13  -5.894   8.839  -1.269
   93   1HB   SER  13          2HB       SER  13  -7.289  10.728  -2.355
   94   2HB   SER  13          1HB       SER  13  -7.510   9.057  -2.888
   95    HG   SER  13           HG       SER  13  -9.170  10.691  -1.351
   96    H    GLY  14           H        GLY  14  -7.569  10.236   1.403
   97   1HA   GLY  14          2HA       GLY  14  -6.180  11.268   3.021
   98   2HA   GLY  14          1HA       GLY  14  -5.022  11.628   1.756
   99    H    SER  15           H        SER  15  -5.398  13.618   3.416
  100    HA   SER  15           HA       SER  15  -7.467  15.277   2.249
  101   1HB   SER  15          2HB       SER  15  -7.600  16.361   4.528
  102   2HB   SER  15          1HB       SER  15  -8.260  14.735   4.358
  103    HG   SER  15           HG       SER  15  -7.025  14.262   5.924
  104    H    GLY  16           H        GLY  16  -4.304  15.061   1.889
  105   1HA   GLY  16          2HA       GLY  16  -3.374  17.384   3.296
  106   2HA   GLY  16          1HA       GLY  16  -2.428  16.228   2.388
  107    H    THR  17           H        THR  17  -1.696  18.520   2.142
  108    HA   THR  17           HA       THR  17  -2.807  19.950  -0.259
  109    HB   THR  17           HB       THR  17  -0.666  20.849   1.673
  110    HG1  THR  17           1HG      THR  17  -2.573  20.641   2.880
  111   1HG2  THR  17          1HG2      THR  17  -2.448  22.373  -0.257
  112   2HG2  THR  17          2HG2      THR  17  -0.737  22.024  -0.509
  113   3HG2  THR  17          3HG2      THR  17  -1.237  23.086   0.809
  114    H    LYS  18           H        LYS  18  -0.307  17.614   0.291
  115    HA   LYS  18           HA       LYS  18   1.609  18.682  -1.738
  116   1HB   LYS  18          2HB       LYS  18   2.346  18.384   0.686
  117   2HB   LYS  18          1HB       LYS  18   1.765  16.738   0.585
  118   1HG   LYS  18          2HG       LYS  18   3.428  16.314  -1.195
  119   2HG   LYS  18          1HG       LYS  18   4.033  17.957  -0.972
  120   1HD   LYS  18          2HD       LYS  18   4.599  17.481   1.327
  121   2HD   LYS  18          1HD       LYS  18   3.895  15.870   1.200
  122   1HE   LYS  18          2HE       LYS  18   5.552  15.279  -0.488
  123   2HE   LYS  18          1HE       LYS  18   6.250  16.895  -0.368
  124   1HZ   LYS  18          1HZ       LYS  18   6.117  14.921   1.856
  125   2HZ   LYS  18          2HZ       LYS  18   6.830  16.438   1.927
  126   3HZ   LYS  18          3HZ       LYS  18   7.478  15.259   0.912
  127    H    ALA  19           H        ALA  19   2.517  17.049  -3.039
  128    HA   ALA  19           HA       ALA  19   0.781  14.657  -3.410
  129   1HB   ALA  19          1HB       ALA  19   1.508  14.648  -5.729
  130   2HB   ALA  19          2HB       ALA  19   2.524  16.061  -5.447
  131   3HB   ALA  19          3HB       ALA  19   0.768  16.207  -5.372
  132    H    GLU  20           H        GLU  20   1.617  12.793  -3.005
  133    HA   GLU  20           HA       GLU  20   4.455  12.617  -2.870
  134   1HB   GLU  20          2HB       GLU  20   3.770  13.102  -0.657
  135   2HB   GLU  20          1HB       GLU  20   2.433  11.977  -0.738
  136   1HG   GLU  20          2HG       GLU  20   4.090  11.103   0.698
  137   2HG   GLU  20          1HG       GLU  20   4.060  10.127  -0.761
  138    H    LYS  21           H        LYS  21   5.000  10.620  -3.885
  139    HA   LYS  21           HA       LYS  21   2.794   8.838  -4.851
  140   1HB   LYS  21          2HB       LYS  21   4.297  10.161  -6.467
  141   2HB   LYS  21          1HB       LYS  21   5.646   9.270  -5.807
  142   1HG   LYS  21          2HG       LYS  21   3.314   7.910  -7.141
  143   2HG   LYS  21          1HG       LYS  21   4.685   8.533  -8.042
  144   1HD   LYS  21          2HD       LYS  21   4.865   6.478  -5.833
  145   2HD   LYS  21          1HD       LYS  21   4.796   6.096  -7.553
  146   1HE   LYS  21          2HE       LYS  21   6.872   7.402  -7.874
  147   2HE   LYS  21          1HE       LYS  21   6.946   7.659  -6.129
  148   1HZ   LYS  21          1HZ       LYS  21   6.926   5.010  -7.449
  149   2HZ   LYS  21          2HZ       LYS  21   7.195   5.281  -5.796
  150   3HZ   LYS  21          3HZ       LYS  21   8.319   5.793  -6.953
  151    H    ARG  22           H        ARG  22   2.354   7.321  -3.378
  152    HA   ARG  22           HA       ARG  22   4.769   5.938  -2.929
  153   1HB   ARG  22          2HB       ARG  22   2.680   6.411  -0.830
  154   2HB   ARG  22          1HB       ARG  22   3.994   5.256  -0.617
  155   1HG   ARG  22          2HG       ARG  22   5.542   7.190  -1.188
  156   2HG   ARG  22          1HG       ARG  22   4.144   8.223  -0.938
  157   1HD   ARG  22          2HD       ARG  22   3.953   7.049   1.347
  158   2HD   ARG  22          1HD       ARG  22   5.569   6.471   0.998
  159    HE   ARG  22           HE       ARG  22   5.870   9.035   0.503
  160   1HH1  ARG  22          1HH1      ARG  22   4.690   7.302   3.316
  161   2HH1  ARG  22          2HH1      ARG  22   4.868   8.625   4.392
  162   1HH2  ARG  22          1HH2      ARG  22   6.101  10.850   1.912
  163   2HH2  ARG  22          2HH2      ARG  22   5.688  10.729   3.560
  164    H    ILE  23           H        ILE  23   3.619   3.445  -1.518
  165    HA   ILE  23           HA       ILE  23   1.696   2.674  -3.562
  166    HB   ILE  23           HB       ILE  23   3.971   1.951  -4.353
  167   1HG1  ILE  23          2HG1      ILE  23   2.363  -0.439  -3.473
  168   2HG1  ILE  23          1HG1      ILE  23   1.950   0.573  -4.851
  169   1HG2  ILE  23          1HG2      ILE  23   5.099   1.647  -2.196
  170   2HG2  ILE  23          2HG2      ILE  23   5.166   0.171  -3.185
  171   3HG2  ILE  23          3HG2      ILE  23   4.029   0.272  -1.863
  172   1HD1  ILE  23          1HD1      ILE  23   3.091  -1.440  -5.557
  173   2HD1  ILE  23          2HD1      ILE  23   4.467  -1.043  -4.527
  174   3HD1  ILE  23          3HD1      ILE  23   4.078  -0.019  -5.910
  175    H    TYR  24           H        TYR  24   0.247   0.975  -2.852
  176    HA   TYR  24           HA       TYR  24   0.544   0.148  -0.062
  177   1HB   TYR  24          2HB       TYR  24  -1.778   0.636   0.446
  178   2HB   TYR  24          1HB       TYR  24  -1.047   2.114  -0.137
  179    HD1  TYR  24           1HD      TYR  24  -3.818  -0.006  -0.328
  180    HD2  TYR  24           2HD      TYR  24  -1.518   2.599  -2.740
  181    HE1  TYR  24           1HE      TYR  24  -5.725   0.251  -1.841
  182    HE2  TYR  24           2HE      TYR  24  -3.439   2.844  -4.282
  183    HH   TYR  24           HH       TYR  24  -5.488   1.780  -4.915
  184    H    TYR  25           H        TYR  25  -1.028  -1.880   0.313
  185    HA   TYR  25           HA       TYR  25  -0.751  -3.432  -1.906
  186   1HB   TYR  25          2HB       TYR  25  -0.386  -4.207   0.298
  187   2HB   TYR  25          1HB       TYR  25  -2.045  -3.853   0.755
  188    HD1  TYR  25           1HD      TYR  25  -0.035  -5.974  -1.579
  189    HD2  TYR  25           2HD      TYR  25  -3.652  -5.519   0.598
  190    HE1  TYR  25           1HE      TYR  25  -0.656  -8.298  -2.119
  191    HE2  TYR  25           2HE      TYR  25  -4.277  -7.818   0.069
  192    HH   TYR  25           HH       TYR  25  -2.133 -10.073  -1.106
  193    H    ASN  26           H        ASN  26  -2.548  -3.965  -3.372
  194    HA   ASN  26           HA       ASN  26  -5.248  -3.089  -2.571
  195   1HB   ASN  26          2HB       ASN  26  -4.398  -2.397  -4.869
  196   2HB   ASN  26          1HB       ASN  26  -4.248  -4.104  -5.251
  197   1HD2  ASN  26          1HD2      ASN  26  -5.992  -1.768  -6.230
  198   2HD2  ASN  26          2HD2      ASN  26  -7.580  -2.417  -6.195
  199    H    SER  27           H        SER  27  -6.420  -4.221  -1.695
  200    HA   SER  27           HA       SER  27  -5.513  -6.732  -1.040
  201   1HB   SER  27          2HB       SER  27  -6.635  -5.374   0.622
  202   2HB   SER  27          1HB       SER  27  -8.138  -5.432  -0.290
  203    HG   SER  27           HG       SER  27  -8.291  -6.826   1.350
  204    H    ALA  28           H        ALA  28  -8.045  -5.668  -3.195
  205    HA   ALA  28           HA       ALA  28  -9.241  -8.224  -3.549
  206   1HB   ALA  28          1HB       ALA  28 -10.523  -7.150  -5.342
  207   2HB   ALA  28          2HB       ALA  28  -9.500  -5.724  -5.201
  208   3HB   ALA  28          3HB       ALA  28 -10.532  -6.208  -3.852
  209    H    ARG  29           H        ARG  29  -6.990  -6.242  -5.174
  210    HA   ARG  29           HA       ARG  29  -6.716  -8.061  -7.451
  211   1HB   ARG  29          2HB       ARG  29  -5.234  -5.480  -6.958
  212   2HB   ARG  29          1HB       ARG  29  -4.718  -6.582  -8.217
  213   1HG   ARG  29          2HG       ARG  29  -6.061  -4.896  -9.239
  214   2HG   ARG  29          1HG       ARG  29  -7.004  -6.383  -9.233
  215   1HD   ARG  29          2HD       ARG  29  -8.245  -5.593  -7.292
  216   2HD   ARG  29          1HD       ARG  29  -7.266  -4.128  -7.248
  217    HE   ARG  29           HE       ARG  29  -9.407  -4.785  -9.104
  218   1HH1  ARG  29          1HH1      ARG  29  -6.710  -2.573  -8.534
  219   2HH1  ARG  29          2HH1      ARG  29  -7.514  -1.215  -9.177
  220   1HH2  ARG  29          1HH2      ARG  29 -10.522  -2.872  -9.957
  221   2HH2  ARG  29          2HH2      ARG  29  -9.714  -1.382  -9.967
  222    H    LYS  30           H        LYS  30  -5.576  -8.045  -4.515
  223    HA   LYS  30           HA       LYS  30  -3.830  -8.903  -3.267
  224   1HB   LYS  30          2HB       LYS  30  -5.044 -10.917  -4.136
  225   2HB   LYS  30          1HB       LYS  30  -3.970 -10.975  -5.512
  226   1HG   LYS  30          2HG       LYS  30  -2.618 -11.169  -2.897
  227   2HG   LYS  30          1HG       LYS  30  -3.743 -12.478  -3.247
  228   1HD   LYS  30          2HD       LYS  30  -2.556 -12.921  -5.351
  229   2HD   LYS  30          1HD       LYS  30  -1.450 -11.592  -5.002
  230   1HE   LYS  30          2HE       LYS  30  -0.420 -13.718  -4.436
  231   2HE   LYS  30          1HE       LYS  30  -0.689 -12.762  -2.983
  232   1HZ   LYS  30          1HZ       LYS  30  -1.268 -15.123  -2.711
  233   2HZ   LYS  30          2HZ       LYS  30  -2.433 -14.991  -3.909
  234   3HZ   LYS  30          3HZ       LYS  30  -2.619 -14.153  -2.463
  235    H    GLN  31           H        GLN  31  -3.136  -7.140  -4.890
  236    HA   GLN  31           HA       GLN  31  -0.074  -7.265  -5.323
  237   1HB   GLN  31          2HB       GLN  31  -0.063  -6.424  -7.518
  238   2HB   GLN  31          1HB       GLN  31  -1.160  -7.792  -7.516
  239   1HG   GLN  31          2HG       GLN  31  -3.051  -6.211  -7.414
  240   2HG   GLN  31          1HG       GLN  31  -1.902  -4.881  -7.518
  241   1HE2  GLN  31          1HE2      GLN  31  -0.776  -4.567  -9.444
  242   2HE2  GLN  31          2HE2      GLN  31  -1.325  -5.210 -10.943
  243    H    CYS  32           H        CYS  32   1.293  -5.394  -5.074
  244    HA   CYS  32           HA       CYS  32  -0.373  -3.808  -3.715
  245   1HB   CYS  32          2HB       CYS  32   1.837  -2.599  -2.952
  246   2HB   CYS  32          1HB       CYS  32   1.415  -4.195  -2.356
  247    H    LEU  33           H        LEU  33  -0.550  -1.415  -4.450
  248    HA   LEU  33           HA       LEU  33   0.749  -0.524  -6.934
  249   1HB   LEU  33          2HB       LEU  33  -1.438  -0.097  -7.958
  250   2HB   LEU  33          1HB       LEU  33  -1.105  -1.801  -7.834
  251    HG   LEU  33           HG       LEU  33  -2.664  -1.830  -5.827
  252   1HD1  LEU  33          1HD1      LEU  33  -2.676   0.540  -5.334
  253   2HD1  LEU  33          2HD1      LEU  33  -4.305  -0.046  -5.687
  254   3HD1  LEU  33          3HD1      LEU  33  -3.411   0.871  -6.898
  255   1HD2  LEU  33          1HD2      LEU  33  -3.764  -1.070  -8.515
  256   2HD2  LEU  33          2HD2      LEU  33  -4.656  -1.879  -7.225
  257   3HD2  LEU  33          3HD2      LEU  33  -3.290  -2.686  -7.996
  258    H    ARG  34           H        ARG  34   0.561   1.391  -7.473
  259    HA   ARG  34           HA       ARG  34   1.173   2.978  -5.204
  260   1HB   ARG  34          2HB       ARG  34   2.513   2.863  -7.290
  261   2HB   ARG  34          1HB       ARG  34   1.195   3.598  -8.169
  262   1HG   ARG  34          2HG       ARG  34   2.681   4.980  -5.940
  263   2HG   ARG  34          1HG       ARG  34   3.171   5.061  -7.623
  264   1HD   ARG  34          2HD       ARG  34   0.532   5.994  -6.497
  265   2HD   ARG  34          1HD       ARG  34   1.897   7.029  -6.871
  266    HE   ARG  34           HE       ARG  34   1.589   5.967  -9.207
  267   1HH1  ARG  34          1HH1      ARG  34  -0.854   7.122  -7.001
  268   2HH1  ARG  34          2HH1      ARG  34  -2.067   7.430  -8.147
  269   1HH2  ARG  34          1HH2      ARG  34   0.027   6.469 -10.887
  270   2HH2  ARG  34          2HH2      ARG  34  -1.506   7.067 -10.486
  271    H    PHE  35           H        PHE  35   0.244   4.712  -4.511
  272    HA   PHE  35           HA       PHE  35  -2.208   5.178  -5.635
  273   1HB   PHE  35          2HB       PHE  35  -3.320   5.939  -3.408
  274   2HB   PHE  35          1HB       PHE  35  -2.772   4.283  -3.515
  275    HD1  PHE  35           1HD      PHE  35  -2.989   7.019  -1.451
  276    HD2  PHE  35           2HD      PHE  35  -0.202   4.007  -2.577
  277    HE1  PHE  35           1HE      PHE  35  -1.809   7.320   0.682
  278    HE2  PHE  35           2HE      PHE  35   0.990   4.309  -0.446
  279    HZ   PHE  35           HZ       PHE  35   0.184   5.963   1.190
  280    H    ASP  36           H        ASP  36  -2.878   7.892  -4.823
  281    HA   ASP  36           HA       ASP  36  -0.362   9.219  -4.745
  282   1HB   ASP  36          2HB       ASP  36  -1.838   9.843  -6.604
  283   2HB   ASP  36          1HB       ASP  36  -3.113  10.257  -5.468
  284    H    TYR  37           H        TYR  37   0.169  10.045  -2.852
  285    HA   TYR  37           HA       TYR  37  -1.884  10.306  -0.757
  286   1HB   TYR  37          2HB       TYR  37  -0.084   8.638  -0.420
  287   2HB   TYR  37          1HB       TYR  37   1.116   9.868  -0.721
  288    HD1  TYR  37           1HD      TYR  37   2.257  10.459   1.192
  289    HD2  TYR  37           2HD      TYR  37  -1.894   9.595   1.512
  290    HE1  TYR  37           1HE      TYR  37   2.344  10.967   3.592
  291    HE2  TYR  37           2HE      TYR  37  -1.816  10.103   3.915
  292    HH   TYR  37           HH       TYR  37   0.813  11.681   5.343
  293    H    THR  38           H        THR  38  -2.218  12.429   0.182
  294    HA   THR  38           HA       THR  38  -0.795  14.332  -1.287
  295    HB   THR  38           HB       THR  38  -2.674  15.744  -0.095
  296    HG1  THR  38           1HG      THR  38  -4.207  13.453  -0.192
  297   1HG2  THR  38          1HG2      THR  38  -2.556  15.288  -2.519
  298   2HG2  THR  38          2HG2      THR  38  -4.214  15.171  -1.926
  299   3HG2  THR  38          3HG2      THR  38  -3.288  13.705  -2.255
  300    H    GLY  39           H        GLY  39   0.532  13.041   0.792
  301   1HA   GLY  39          2HA       GLY  39   1.934  13.416   2.532
  302   2HA   GLY  39          1HA       GLY  39   1.550  15.108   2.338
  303    H    GLN  40           H        GLN  40  -1.529  14.329   3.209
  304    HA   GLN  40           HA       GLN  40  -0.749  13.983   5.925
  305   1HB   GLN  40          2HB       GLN  40  -1.000  16.373   5.560
  306   2HB   GLN  40          1HB       GLN  40  -2.567  16.129   4.808
  307   1HG   GLN  40          2HG       GLN  40  -2.860  16.966   7.037
  308   2HG   GLN  40          1HG       GLN  40  -3.447  15.308   6.945
  309   1HE2  GLN  40          1HE2      GLN  40  -3.242  14.870   9.059
  310   2HE2  GLN  40          2HE2      GLN  40  -1.735  14.759   9.898
  311    H    GLY  41           H        GLY  41  -2.509  12.675   6.991
  312   1HA   GLY  41          2HA       GLY  41  -4.792  12.136   7.185
  313   2HA   GLY  41          1HA       GLY  41  -5.053  12.865   5.618
  314    H    GLY  42           H        GLY  42  -2.906  10.194   6.581
  315   1HA   GLY  42          2HA       GLY  42  -4.192   8.749   4.372
  316   2HA   GLY  42          1HA       GLY  42  -2.506   8.571   4.821
  317    H    ASN  43           H        ASN  43  -2.716   6.430   4.920
  318    HA   ASN  43           HA       ASN  43  -4.197   4.988   7.020
  319   1HB   ASN  43          2HB       ASN  43  -4.015   3.237   5.197
  320   2HB   ASN  43          1HB       ASN  43  -5.182   4.506   4.854
  321   1HD2  ASN  43          1HD2      ASN  43  -5.072   4.186   2.641
  322   2HD2  ASN  43          2HD2      ASN  43  -3.691   4.621   1.678
  323    H    GLU  44           H        GLU  44  -3.100   3.144   7.600
  324    HA   GLU  44           HA       GLU  44  -0.300   3.629   8.282
  325   1HB   GLU  44          2HB       GLU  44  -2.206   1.397   8.902
  326   2HB   GLU  44          1HB       GLU  44  -0.590   1.601   9.567
  327   1HG   GLU  44          2HG       GLU  44  -2.906   3.481   9.946
  328   2HG   GLU  44          1HG       GLU  44  -2.293   2.335  11.136
  329    H    ASN  45           H        ASN  45  -1.974   1.819   5.859
  330    HA   ASN  45           HA       ASN  45   0.401   0.241   5.411
  331   1HB   ASN  45          2HB       ASN  45  -1.903  -0.643   4.899
  332   2HB   ASN  45          1HB       ASN  45  -2.045   0.570   3.644
  333   1HD2  ASN  45          1HD2      ASN  45  -0.680  -2.416   4.566
  334   2HD2  ASN  45          2HD2      ASN  45  -0.006  -2.887   3.045
  335    H    ASN  46           H        ASN  46   1.986   1.495   4.862
  336    HA   ASN  46           HA       ASN  46   1.650   3.470   2.708
  337   1HB   ASN  46          2HB       ASN  46   1.248   4.613   4.885
  338   2HB   ASN  46          1HB       ASN  46   2.821   4.085   5.441
  339   1HD2  ASN  46          1HD2      ASN  46   1.726   6.752   5.220
  340   2HD2  ASN  46          2HD2      ASN  46   2.770   7.654   4.192
  341    H    PHE  47           H        PHE  47   3.133   2.729   1.265
  342    HA   PHE  47           HA       PHE  47   5.609   1.983   2.484
  343   1HB   PHE  47          2HB       PHE  47   4.406   0.794   0.002
  344   2HB   PHE  47          1HB       PHE  47   6.007   0.383   0.634
  345    HD1  PHE  47           1HD      PHE  47   2.602  -0.428   0.723
  346    HD2  PHE  47           2HD      PHE  47   6.074  -0.239   3.160
  347    HE1  PHE  47           1HE      PHE  47   1.552  -1.932   2.343
  348    HE2  PHE  47           2HE      PHE  47   5.029  -1.754   4.777
  349    HZ   PHE  47           HZ       PHE  47   2.759  -2.595   4.366
  350    H    ARG  48           H        ARG  48   7.421   2.832   1.598
  351    HA   ARG  48           HA       ARG  48   7.173   4.998  -0.465
  352   1HB   ARG  48          2HB       ARG  48   8.089   5.485   1.815
  353   2HB   ARG  48          1HB       ARG  48   9.398   4.375   1.485
  354   1HG   ARG  48          2HG       ARG  48  10.434   6.319   0.901
  355   2HG   ARG  48          1HG       ARG  48   9.661   5.985  -0.647
  356   1HD   ARG  48          2HD       ARG  48   9.284   8.335  -0.016
  357   2HD   ARG  48          1HD       ARG  48   7.760   7.488   0.022
  358    HE   ARG  48           HE       ARG  48   8.209   7.220   2.501
  359   1HH1  ARG  48          1HH1      ARG  48   9.325  10.098   0.684
  360   2HH1  ARG  48          2HH1      ARG  48   9.430  11.040   2.098
  361   1HH2  ARG  48          1HH2      ARG  48   8.333   8.592   4.370
  362   2HH2  ARG  48          2HH2      ARG  48   8.827  10.197   4.216
  363    H    ARG  49           H        ARG  49   8.108   1.637  -0.156
  364    HA   ARG  49           HA       ARG  49   9.767   1.962  -2.450
  365   1HB   ARG  49          2HB       ARG  49  11.133   1.882  -0.417
  366   2HB   ARG  49          1HB       ARG  49  10.352   0.389   0.055
  367   1HG   ARG  49          2HG       ARG  49  11.341  -0.695  -1.933
  368   2HG   ARG  49          1HG       ARG  49  12.189   0.812  -2.287
  369   1HD   ARG  49          2HD       ARG  49  12.452  -0.831   0.231
  370   2HD   ARG  49          1HD       ARG  49  13.637  -0.736  -1.069
  371    HE   ARG  49           HE       ARG  49  14.105   1.495  -0.458
  372   1HH1  ARG  49          1HH1      ARG  49  11.842  -0.062   1.813
  373   2HH1  ARG  49          2HH1      ARG  49  12.226   0.948   3.122
  374   1HH2  ARG  49          1HH2      ARG  49  14.642   2.892   1.399
  375   2HH2  ARG  49          2HH2      ARG  49  13.852   2.634   2.886
  376    H    THR  50           H        THR  50   9.677   0.064  -3.741
  377    HA   THR  50           HA       THR  50   7.160  -1.207  -3.788
  378    HB   THR  50           HB       THR  50   8.278  -0.455  -5.823
  379    HG1  THR  50           1HG      THR  50   8.146  -2.526  -7.014
  380   1HG2  THR  50          1HG2      THR  50  10.247  -2.694  -5.329
  381   2HG2  THR  50          2HG2      THR  50  10.590  -0.963  -5.263
  382   3HG2  THR  50          3HG2      THR  50  10.154  -1.717  -6.794
  383    H    TYR  51           H        TYR  51  10.294  -2.493  -2.685
  384    HA   TYR  51           HA       TYR  51   9.280  -5.222  -2.617
  385   1HB   TYR  51          2HB       TYR  51  11.739  -4.704  -2.760
  386   2HB   TYR  51          1HB       TYR  51  11.654  -4.055  -1.129
  387    HD1  TYR  51           1HD      TYR  51  12.130  -5.483   0.650
  388    HD2  TYR  51           2HD      TYR  51  10.925  -7.149  -3.070
  389    HE1  TYR  51           1HE      TYR  51  12.555  -7.740   1.523
  390    HE2  TYR  51           2HE      TYR  51  11.347  -9.405  -2.208
  391    HH   TYR  51           HH       TYR  51  12.604 -10.489  -0.524
  392    H    ASP  52           H        ASP  52   9.319  -2.509  -0.543
  393    HA   ASP  52           HA       ASP  52   8.754  -3.858   1.887
  394   1HB   ASP  52          2HB       ASP  52   8.168  -1.041   0.996
  395   2HB   ASP  52          1HB       ASP  52   7.658  -1.630   2.573
  396    H    CYS  53           H        CYS  53   6.444  -2.465  -0.411
  397    HA   CYS  53           HA       CYS  53   4.123  -3.354   0.962
  398   1HB   CYS  53          2HB       CYS  53   2.919  -3.171  -1.166
  399   2HB   CYS  53          1HB       CYS  53   3.938  -1.777  -0.872
  400    H    GLN  54           H        GLN  54   5.734  -4.672  -1.435
  401    HA   GLN  54           HA       GLN  54   4.591  -7.247  -1.806
  402   1HB   GLN  54          2HB       GLN  54   5.994  -6.736  -3.495
  403   2HB   GLN  54          1HB       GLN  54   7.455  -6.626  -2.469
  404   1HG   GLN  54          2HG       GLN  54   7.153  -9.102  -2.115
  405   2HG   GLN  54          1HG       GLN  54   5.873  -9.045  -3.323
  406   1HE2  GLN  54          1HE2      GLN  54   6.954 -10.419  -4.704
  407   2HE2  GLN  54          2HE2      GLN  54   8.356  -9.931  -5.587
  408    H    ARG  55           H        ARG  55   7.287  -6.584   0.199
  409    HA   ARG  55           HA       ARG  55   7.640  -9.262   1.238
  410   1HB   ARG  55          2HB       ARG  55   9.444  -7.583   1.333
  411   2HB   ARG  55          1HB       ARG  55   8.474  -6.608   2.424
  412   1HG   ARG  55          2HG       ARG  55   8.536  -8.417   4.071
  413   2HG   ARG  55          1HG       ARG  55   9.554  -9.355   2.974
  414   1HD   ARG  55          2HD       ARG  55  11.213  -7.574   3.011
  415   2HD   ARG  55          1HD       ARG  55  10.211  -6.660   4.126
  416    HE   ARG  55           HE       ARG  55  10.833  -9.317   5.010
  417   1HH1  ARG  55          1HH1      ARG  55  11.877  -5.921   5.075
  418   2HH1  ARG  55          2HH1      ARG  55  12.872  -6.115   6.442
  419   1HH2  ARG  55          1HH2      ARG  55  12.292  -9.582   6.836
  420   2HH2  ARG  55          2HH2      ARG  55  13.115  -8.209   7.452
  421    H    THR  56           H        THR  56   5.913  -6.371   2.716
  422    HA   THR  56           HA       THR  56   5.252  -8.115   4.769
  423    HB   THR  56           HB       THR  56   5.514  -5.713   5.138
  424    HG1  THR  56           1HG      THR  56   3.827  -7.171   6.311
  425   1HG2  THR  56          1HG2      THR  56   3.767  -4.155   4.453
  426   2HG2  THR  56          2HG2      THR  56   2.966  -5.453   3.570
  427   3HG2  THR  56          3HG2      THR  56   4.563  -4.897   3.065
  428    H    CYS  57           H        CYS  57   3.384  -7.159   1.856
  429    HA   CYS  57           HA       CYS  57   1.108  -8.601   2.989
  430   1HB   CYS  57          2HB       CYS  57   1.144  -6.734   0.636
  431   2HB   CYS  57          1HB       CYS  57  -0.276  -7.480   1.347
  432    H    LEU  58           H        LEU  58   3.504  -9.149   0.616
  433    HA   LEU  58           HA       LEU  58   1.689 -10.938  -0.744
  434   1HB   LEU  58          2HB       LEU  58   2.897  -9.379  -2.180
  435   2HB   LEU  58          1HB       LEU  58   4.425 -10.042  -1.644
  436    HG   LEU  58           HG       LEU  58   3.796 -12.218  -2.687
  437   1HD1  LEU  58          1HD1      LEU  58   1.934 -12.287  -4.252
  438   2HD1  LEU  58          2HD1      LEU  58   1.464 -10.658  -3.774
  439   3HD1  LEU  58          3HD1      LEU  58   1.386 -11.981  -2.605
  440   1HD2  LEU  58          1HD2      LEU  58   5.201 -10.668  -3.908
  441   2HD2  LEU  58          2HD2      LEU  58   3.776  -9.815  -4.507
  442   3HD2  LEU  58          3HD2      LEU  58   4.091 -11.472  -5.021
  443    H    TYR  59           H        TYR  59   4.435 -10.978   1.403
  444    HA   TYR  59           HA       TYR  59   4.975 -13.765   0.814
  445   1HB   TYR  59          2HB       TYR  59   6.415 -11.822   2.634
  446   2HB   TYR  59          1HB       TYR  59   6.792 -13.531   2.533
  447    HD1  TYR  59           1HD      TYR  59   8.267 -14.325   0.917
  448    HD2  TYR  59           2HD      TYR  59   6.719 -10.402   0.533
  449    HE1  TYR  59           1HE      TYR  59   9.858 -13.887  -0.900
  450    HE2  TYR  59           2HE      TYR  59   8.301  -9.946  -1.288
  451    HH   TYR  59           HH       TYR  59   9.911 -12.331  -2.887
  452    H    THR  60           H        THR  60   2.966 -14.247   1.356
  453    HA   THR  60           HA       THR  60   2.318 -14.456   4.129
  454    HB   THR  60           HB       THR  60   0.441 -14.281   2.659
  455    HG1  THR  60           1HG      THR  60   0.180 -15.662   4.394
  456   1HG2  THR  60          1HG2      THR  60  -0.112 -15.931   0.906
  457   2HG2  THR  60          2HG2      THR  60   1.420 -16.752   1.214
  458   3HG2  THR  60          3HG2      THR  60   1.413 -15.108   0.575
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1  -3.450 -16.275  10.471
    2   2H    LYS   1          2HT       LYS   1  -3.871 -17.189   9.117
    3   3H    LYS   1          3HT       LYS   1  -5.071 -16.436  10.011
    4    HA   LYS   1           HA       LYS   1  -4.296 -14.278   9.397
    5   1HB   LYS   1          2HB       LYS   1  -2.097 -15.816   8.117
    6   2HB   LYS   1          1HB       LYS   1  -2.623 -14.284   7.422
    7   1HG   LYS   1          2HG       LYS   1  -1.627 -14.734  10.233
    8   2HG   LYS   1          1HG       LYS   1  -0.784 -13.885   8.928
    9   1HD   LYS   1          2HD       LYS   1  -2.587 -12.222   8.844
   10   2HD   LYS   1          1HD       LYS   1  -3.426 -13.062  10.147
   11   1HE   LYS   1          2HE       LYS   1  -1.452 -12.627  11.600
   12   2HE   LYS   1          1HE       LYS   1  -0.758 -11.669  10.291
   13   1HZ   LYS   1          1HZ       LYS   1  -2.747 -10.227  10.405
   14   2HZ   LYS   1          2HZ       LYS   1  -1.887 -10.222  11.845
   15   3HZ   LYS   1          3HZ       LYS   1  -3.315 -11.113  11.709
   16    H    ASP   2           H        ASP   2  -5.891 -13.661   8.514
   17    HA   ASP   2           HA       ASP   2  -6.658 -14.562   5.818
   18   1HB   ASP   2          2HB       ASP   2  -8.291 -15.381   7.455
   19   2HB   ASP   2          1HB       ASP   2  -8.454 -13.760   8.119
   20    H    ARG   3           H        ARG   3  -5.840 -12.829   4.734
   21    HA   ARG   3           HA       ARG   3  -5.402 -10.802   3.987
   22   1HB   ARG   3          2HB       ARG   3  -7.571  -9.870   5.886
   23   2HB   ARG   3          1HB       ARG   3  -6.617  -8.731   4.954
   24   1HG   ARG   3          2HG       ARG   3  -8.530  -8.975   3.697
   25   2HG   ARG   3          1HG       ARG   3  -7.402 -10.079   2.917
   26   1HD   ARG   3          2HD       ARG   3  -9.552 -11.130   3.092
   27   2HD   ARG   3          1HD       ARG   3  -8.432 -11.936   4.190
   28    HE   ARG   3           HE       ARG   3  -9.717 -11.332   5.915
   29   1HH1  ARG   3          1HH1      ARG   3 -10.724  -9.338   3.124
   30   2HH1  ARG   3          2HH1      ARG   3 -11.909  -8.471   3.966
   31   1HH2  ARG   3          1HH2      ARG   3 -11.379 -10.131   7.084
   32   2HH2  ARG   3          2HH2      ARG   3 -12.314  -8.964   6.265
   33    HA   PRO   4           HA       PRO   4  -1.891  -9.952   6.262
   34   1HB   PRO   4          2HB       PRO   4  -2.056  -7.282   4.896
   35   2HB   PRO   4          1HB       PRO   4  -0.668  -8.375   5.044
   36   1HG   PRO   4          2HG       PRO   4  -2.031  -8.256   2.794
   37   2HG   PRO   4          1HG       PRO   4  -1.521  -9.837   3.437
   38   1HD   PRO   4          2HD       PRO   4  -4.223  -8.554   3.489
   39   2HD   PRO   4          1HD       PRO   4  -3.789 -10.254   3.236
   40    H    SER   5           H        SER   5  -1.249  -9.069   8.078
   41    HA   SER   5           HA       SER   5  -2.642  -7.844   9.843
   42   1HB   SER   5          2HB       SER   5   0.260  -7.189   9.430
   43   2HB   SER   5          1HB       SER   5  -0.609  -7.100  10.966
   44    HG   SER   5           HG       SER   5   0.378  -9.033  10.904
   45    H    LEU   6           H        LEU   6  -0.472  -6.201   7.587
   46    HA   LEU   6           HA       LEU   6  -1.874  -3.764   8.254
   47   1HB   LEU   6          2HB       LEU   6   0.141  -2.459   7.463
   48   2HB   LEU   6          1HB       LEU   6   0.243  -3.318   8.976
   49    HG   LEU   6           HG       LEU   6   1.537  -5.105   7.737
   50   1HD1  LEU   6          1HD1      LEU   6   0.869  -4.554   5.487
   51   2HD1  LEU   6          2HD1      LEU   6   2.622  -4.417   5.667
   52   3HD1  LEU   6          3HD1      LEU   6   1.619  -2.965   5.637
   53   1HD2  LEU   6          1HD2      LEU   6   2.581  -3.484   9.206
   54   2HD2  LEU   6          2HD2      LEU   6   2.680  -2.325   7.880
   55   3HD2  LEU   6          3HD2      LEU   6   3.612  -3.823   7.818
   56    H    CYS   7           H        CYS   7  -1.819  -5.863   5.913
   57    HA   CYS   7           HA       CYS   7  -2.793  -3.752   4.204
   58   1HB   CYS   7          2HB       CYS   7  -1.299  -6.147   3.127
   59   2HB   CYS   7          1HB       CYS   7  -2.326  -5.161   2.088
   60    H    ASP   8           H        ASP   8  -4.196  -5.060   6.021
   61    HA   ASP   8           HA       ASP   8  -6.637  -5.539   4.428
   62   1HB   ASP   8          2HB       ASP   8  -6.144  -6.996   6.457
   63   2HB   ASP   8          1HB       ASP   8  -6.174  -5.550   7.451
   64    H    LEU   9           H        LEU   9  -5.186  -3.136   4.266
   65    HA   LEU   9           HA       LEU   9  -5.421  -1.267   6.326
   66   1HB   LEU   9          2HB       LEU   9  -4.050   0.023   4.922
   67   2HB   LEU   9          1HB       LEU   9  -3.487  -1.625   4.758
   68    HG   LEU   9           HG       LEU   9  -5.367  -0.402   2.717
   69   1HD1  LEU   9          1HD1      LEU   9  -3.453   1.043   2.824
   70   2HD1  LEU   9          2HD1      LEU   9  -3.446   0.106   1.331
   71   3HD1  LEU   9          3HD1      LEU   9  -2.376  -0.340   2.661
   72   1HD2  LEU   9          1HD2      LEU   9  -4.421  -2.066   1.208
   73   2HD2  LEU   9          2HD2      LEU   9  -5.106  -2.839   2.637
   74   3HD2  LEU   9          3HD2      LEU   9  -3.361  -2.640   2.491
   75    HA   PRO  10           HA       PRO  10  -8.661   0.831   4.215
   76   1HB   PRO  10          2HB       PRO  10  -7.639   3.354   5.310
   77   2HB   PRO  10          1HB       PRO  10  -9.178   2.552   5.634
   78   1HG   PRO  10          2HG       PRO  10  -7.178   2.714   7.466
   79   2HG   PRO  10          1HG       PRO  10  -8.342   1.376   7.412
   80   1HD   PRO  10          2HD       PRO  10  -5.536   1.491   6.397
   81   2HD   PRO  10          1HD       PRO  10  -6.392   0.163   7.214
   82    H    ALA  11           H        ALA  11  -8.167   0.808   2.132
   83    HA   ALA  11           HA       ALA  11  -5.722   2.155   0.906
   84   1HB   ALA  11          1HB       ALA  11  -8.317   0.989  -0.280
   85   2HB   ALA  11          2HB       ALA  11  -6.743   0.192  -0.366
   86   3HB   ALA  11          3HB       ALA  11  -7.015   1.698  -1.237
   87    H    ASP  12           H        ASP  12  -5.700   3.908   1.721
   88    HA   ASP  12           HA       ASP  12  -7.870   5.789   1.138
   89   1HB   ASP  12          2HB       ASP  12  -8.056   5.296   3.537
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.699   3.753
   91    H    SER  13           H        SER  13  -7.582   7.706   0.410
   92    HA   SER  13           HA       SER  13  -4.895   8.093  -0.769
   93   1HB   SER  13          2HB       SER  13  -6.082   9.601  -2.261
   94   2HB   SER  13          1HB       SER  13  -6.805   7.991  -2.295
   95    HG   SER  13           HG       SER  13  -7.762  10.383  -1.404
   96    H    GLY  14           H        GLY  14  -6.798   9.471   1.708
   97   1HA   GLY  14          2HA       GLY  14  -5.796  10.853   3.301
   98   2HA   GLY  14          1HA       GLY  14  -4.539  11.234   2.141
   99    H    SER  15           H        SER  15  -5.401  13.269   3.529
  100    HA   SER  15           HA       SER  15  -7.590  14.619   2.081
  101   1HB   SER  15          2HB       SER  15  -6.825  14.841   4.994
  102   2HB   SER  15          1HB       SER  15  -8.144  15.679   4.185
  103    HG   SER  15           HG       SER  15  -8.646  13.274   3.593
  104    H    GLY  16           H        GLY  16  -4.545  14.635   1.710
  105   1HA   GLY  16          2HA       GLY  16  -3.637  16.989   3.079
  106   2HA   GLY  16          1HA       GLY  16  -2.688  15.877   2.123
  107    H    THR  17           H        THR  17  -2.107  18.175   1.897
  108    HA   THR  17           HA       THR  17  -3.303  19.550  -0.527
  109    HB   THR  17           HB       THR  17  -2.946  20.877   1.653
  110    HG1  THR  17           1HG      THR  17  -1.872  22.604   0.477
  111   1HG2  THR  17          1HG2      THR  17  -0.657  21.656   2.093
  112   2HG2  THR  17          2HG2      THR  17  -0.048  20.578   0.837
  113   3HG2  THR  17          3HG2      THR  17  -0.780  19.906   2.296
  114    H    LYS  18           H        LYS  18  -0.792  17.347   0.115
  115    HA   LYS  18           HA       LYS  18   1.211  18.402  -1.775
  116   1HB   LYS  18          2HB       LYS  18   1.809  17.923   0.612
  117   2HB   LYS  18          1HB       LYS  18   1.054  16.356   0.466
  118   1HG   LYS  18          2HG       LYS  18   2.764  15.818  -1.308
  119   2HG   LYS  18          1HG       LYS  18   3.569  17.327  -0.873
  120   1HD   LYS  18          2HD       LYS  18   3.883  16.559   1.394
  121   2HD   LYS  18          1HD       LYS  18   2.947  15.097   1.063
  122   1HE   LYS  18          2HE       LYS  18   4.644  14.449  -0.614
  123   2HE   LYS  18          1HE       LYS  18   5.589  15.868  -0.168
  124   1HZ   LYS  18          1HZ       LYS  18   5.943  14.986   2.011
  125   2HZ   LYS  18          2HZ       LYS  18   6.299  13.747   0.922
  126   3HZ   LYS  18          3HZ       LYS  18   4.856  13.725   1.776
  127    H    ALA  19           H        ALA  19   1.956  16.879  -3.172
  128    HA   ALA  19           HA       ALA  19   0.267  14.483  -3.669
  129   1HB   ALA  19          1HB       ALA  19   0.153  16.119  -5.525
  130   2HB   ALA  19          2HB       ALA  19   0.967  14.632  -6.001
  131   3HB   ALA  19          3HB       ALA  19   1.910  16.079  -5.641
  132    H    GLU  20           H        GLU  20   1.221  12.659  -3.289
  133    HA   GLU  20           HA       GLU  20   4.112  12.620  -3.313
  134   1HB   GLU  20          2HB       GLU  20   3.431  13.186  -1.066
  135   2HB   GLU  20          1HB       GLU  20   2.345  11.805  -1.017
  136   1HG   GLU  20          2HG       GLU  20   4.274  11.305   0.247
  137   2HG   GLU  20          1HG       GLU  20   4.305  10.334  -1.221
  138    H    LYS  21           H        LYS  21   4.860  10.665  -4.094
  139    HA   LYS  21           HA       LYS  21   2.896   8.733  -5.118
  140   1HB   LYS  21          2HB       LYS  21   4.540   9.905  -6.663
  141   2HB   LYS  21          1HB       LYS  21   5.835   9.284  -5.677
  142   1HG   LYS  21          2HG       LYS  21   3.923   7.479  -7.163
  143   2HG   LYS  21          1HG       LYS  21   5.360   8.153  -7.918
  144   1HD   LYS  21          2HD       LYS  21   6.712   7.054  -6.093
  145   2HD   LYS  21          1HD       LYS  21   5.226   6.265  -5.561
  146   1HE   LYS  21          2HE       LYS  21   6.504   4.762  -6.991
  147   2HE   LYS  21          1HE       LYS  21   5.001   5.228  -7.788
  148   1HZ   LYS  21          1HZ       LYS  21   7.669   6.427  -8.323
  149   2HZ   LYS  21          2HZ       LYS  21   6.245   6.836  -9.123
  150   3HZ   LYS  21          3HZ       LYS  21   6.902   5.311  -9.325
  151    H    ARG  22           H        ARG  22   2.327   7.312  -3.569
  152    HA   ARG  22           HA       ARG  22   4.637   6.182  -2.429
  153   1HB   ARG  22          2HB       ARG  22   1.881   6.604  -1.342
  154   2HB   ARG  22          1HB       ARG  22   3.086   5.611  -0.534
  155   1HG   ARG  22          2HG       ARG  22   3.488   8.506  -1.266
  156   2HG   ARG  22          1HG       ARG  22   2.928   7.942   0.309
  157   1HD   ARG  22          2HD       ARG  22   4.984   6.782   0.698
  158   2HD   ARG  22          1HD       ARG  22   5.526   7.079  -0.957
  159    HE   ARG  22           HE       ARG  22   5.661   9.414  -0.403
  160   1HH1  ARG  22          1HH1      ARG  22   5.380   7.307   2.453
  161   2HH1  ARG  22          2HH1      ARG  22   6.195   8.394   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.732  10.909   1.026
  163   2HH2  ARG  22          2HH2      ARG  22   7.021  10.482   2.629
  164    H    ILE  23           H        ILE  23   3.575   3.652  -1.508
  165    HA   ILE  23           HA       ILE  23   1.743   2.806  -3.597
  166    HB   ILE  23           HB       ILE  23   4.051   2.217  -4.399
  167   1HG1  ILE  23          2HG1      ILE  23   2.529  -0.257  -3.586
  168   2HG1  ILE  23          1HG1      ILE  23   2.126   0.756  -4.972
  169   1HG2  ILE  23          1HG2      ILE  23   4.191   0.518  -1.933
  170   2HG2  ILE  23          2HG2      ILE  23   5.210   1.928  -2.285
  171   3HG2  ILE  23          3HG2      ILE  23   5.325   0.457  -3.268
  172   1HD1  ILE  23          1HD1      ILE  23   3.368  -1.225  -5.650
  173   2HD1  ILE  23          2HD1      ILE  23   4.697  -0.765  -4.584
  174   3HD1  ILE  23          3HD1      ILE  23   4.290   0.246  -5.975
  175    H    TYR  24           H        TYR  24   0.376   1.064  -2.927
  176    HA   TYR  24           HA       TYR  24   0.910  -0.096  -0.382
  177   1HB   TYR  24          2HB       TYR  24  -1.339   0.313   0.563
  178   2HB   TYR  24          1HB       TYR  24  -0.448   1.792   0.351
  179    HD1  TYR  24           1HD      TYR  24  -2.540   2.978   0.733
  180    HD2  TYR  24           2HD      TYR  24  -2.149   0.382  -2.612
  181    HE1  TYR  24           1HE      TYR  24  -4.541   3.974  -0.261
  182    HE2  TYR  24           2HE      TYR  24  -4.155   1.386  -3.621
  183    HH   TYR  24           HH       TYR  24  -5.540   4.268  -2.547
  184    H    TYR  25           H        TYR  25  -1.012  -1.885   0.044
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.423  -2.175
  186   1HB   TYR  25          2HB       TYR  25  -0.365  -4.113   0.054
  187   2HB   TYR  25          1HB       TYR  25  -2.048  -3.814   0.431
  188    HD1  TYR  25           1HD      TYR  25   0.109  -5.844  -1.815
  189    HD2  TYR  25           2HD      TYR  25  -3.526  -5.600   0.372
  190    HE1  TYR  25           1HE      TYR  25  -0.312  -8.220  -2.258
  191    HE2  TYR  25           2HE      TYR  25  -3.962  -7.971  -0.078
  192    HH   TYR  25           HH       TYR  25  -1.557 -10.038  -1.273
  193    H    ASN  26           H        ASN  26  -2.368  -4.035  -3.620
  194    HA   ASN  26           HA       ASN  26  -5.126  -3.188  -3.062
  195   1HB   ASN  26          2HB       ASN  26  -4.168  -2.465  -5.257
  196   2HB   ASN  26          1HB       ASN  26  -3.858  -4.155  -5.643
  197   1HD2  ASN  26          1HD2      ASN  26  -6.293  -1.680  -5.313
  198   2HD2  ASN  26          2HD2      ASN  26  -7.561  -2.581  -6.041
  199    H    SER  27           H        SER  27  -6.425  -4.510  -2.590
  200    HA   SER  27           HA       SER  27  -5.407  -6.984  -1.863
  201   1HB   SER  27          2HB       SER  27  -8.266  -6.112  -1.429
  202   2HB   SER  27          1HB       SER  27  -7.524  -7.522  -0.670
  203    HG   SER  27           HG       SER  27  -6.485  -6.309   0.643
  204    H    ALA  28           H        ALA  28  -7.771  -6.053  -4.263
  205    HA   ALA  28           HA       ALA  28  -8.858  -8.637  -4.754
  206   1HB   ALA  28          1HB       ALA  28  -9.948  -7.544  -6.658
  207   2HB   ALA  28          2HB       ALA  28  -8.963  -6.108  -6.383
  208   3HB   ALA  28          3HB       ALA  28 -10.131  -6.622  -5.164
  209    H    ARG  29           H        ARG  29  -6.562  -6.556  -6.218
  210    HA   ARG  29           HA       ARG  29  -5.836  -8.427  -8.358
  211   1HB   ARG  29          2HB       ARG  29  -4.627  -5.783  -7.609
  212   2HB   ARG  29          1HB       ARG  29  -3.817  -6.853  -8.726
  213   1HG   ARG  29          2HG       ARG  29  -4.993  -5.131  -9.911
  214   2HG   ARG  29          1HG       ARG  29  -5.746  -6.687 -10.242
  215   1HD   ARG  29          2HD       ARG  29  -7.641  -6.152  -9.046
  216   2HD   ARG  29          1HD       ARG  29  -6.807  -4.932  -8.075
  217    HE   ARG  29           HE       ARG  29  -6.638  -4.049 -10.629
  218   1HH1  ARG  29          1HH1      ARG  29  -9.419  -5.056  -8.750
  219   2HH1  ARG  29          2HH1      ARG  29 -10.391  -3.698  -9.103
  220   1HH2  ARG  29          1HH2      ARG  29  -7.976  -2.244 -11.276
  221   2HH2  ARG  29          2HH2      ARG  29  -9.529  -2.047 -10.625
  222    H    LYS  30           H        LYS  30  -5.074  -8.154  -5.184
  223    HA   LYS  30           HA       LYS  30  -3.380  -8.721  -3.759
  224   1HB   LYS  30          2HB       LYS  30  -4.172 -10.959  -4.460
  225   2HB   LYS  30          1HB       LYS  30  -3.086 -10.933  -5.835
  226   1HG   LYS  30          2HG       LYS  30  -1.167 -11.071  -4.350
  227   2HG   LYS  30          1HG       LYS  30  -2.229 -10.990  -2.944
  228   1HD   LYS  30          2HD       LYS  30  -3.198 -13.108  -3.486
  229   2HD   LYS  30          1HD       LYS  30  -2.357 -13.152  -5.038
  230   1HE   LYS  30          2HE       LYS  30  -0.221 -13.275  -3.915
  231   2HE   LYS  30          1HE       LYS  30  -1.006 -13.134  -2.344
  232   1HZ   LYS  30          1HZ       LYS  30  -0.361 -15.422  -3.068
  233   2HZ   LYS  30          2HZ       LYS  30  -1.628 -15.363  -4.208
  234   3HZ   LYS  30          3HZ       LYS  30  -1.946 -15.223  -2.555
  235    H    GLN  31           H        GLN  31  -2.731  -6.912  -5.335
  236    HA   GLN  31           HA       GLN  31   0.311  -6.936  -5.721
  237   1HB   GLN  31          2HB       GLN  31   0.384  -6.208  -7.885
  238   2HB   GLN  31          1HB       GLN  31  -0.911  -7.376  -7.934
  239   1HG   GLN  31          2HG       GLN  31  -2.555  -5.570  -7.933
  240   2HG   GLN  31          1HG       GLN  31  -1.256  -4.380  -7.836
  241   1HE2  GLN  31          1HE2      GLN  31  -3.251  -4.607  -9.942
  242   2HE2  GLN  31          2HE2      GLN  31  -2.392  -4.946 -11.386
  243    H    CYS  32           H        CYS  32   1.590  -5.051  -5.433
  244    HA   CYS  32           HA       CYS  32   0.206  -3.308  -3.868
  245   1HB   CYS  32          2HB       CYS  32   3.031  -3.634  -4.817
  246   2HB   CYS  32          1HB       CYS  32   2.516  -2.324  -3.767
  247    H    LEU  33           H        LEU  33  -0.243  -1.118  -4.653
  248    HA   LEU  33           HA       LEU  33   0.800  -0.193  -7.212
  249   1HB   LEU  33          2HB       LEU  33  -1.435   0.301  -8.083
  250   2HB   LEU  33          1HB       LEU  33  -1.103  -1.411  -8.007
  251    HG   LEU  33           HG       LEU  33  -2.559  -1.479  -5.925
  252   1HD1  LEU  33          1HD1      LEU  33  -2.545   0.899  -5.361
  253   2HD1  LEU  33          2HD1      LEU  33  -4.187   0.308  -5.630
  254   3HD1  LEU  33          3HD1      LEU  33  -3.383   1.267  -6.870
  255   1HD2  LEU  33          1HD2      LEU  33  -4.621  -1.487  -7.232
  256   2HD2  LEU  33          2HD2      LEU  33  -3.296  -2.270  -8.091
  257   3HD2  LEU  33          3HD2      LEU  33  -3.793  -0.636  -8.537
  258    H    ARG  34           H        ARG  34   0.680   1.703  -7.668
  259    HA   ARG  34           HA       ARG  34   1.103   3.433  -5.458
  260   1HB   ARG  34          2HB       ARG  34   2.525   3.379  -7.475
  261   2HB   ARG  34          1HB       ARG  34   1.178   3.867  -8.459
  262   1HG   ARG  34          2HG       ARG  34   2.465   5.630  -6.363
  263   2HG   ARG  34          1HG       ARG  34   2.947   5.601  -8.048
  264   1HD   ARG  34          2HD       ARG  34   0.363   6.134  -8.414
  265   2HD   ARG  34          1HD       ARG  34   0.506   6.726  -6.754
  266    HE   ARG  34           HE       ARG  34   2.088   7.717  -9.041
  267   1HH1  ARG  34          1HH1      ARG  34   0.602   8.373  -5.871
  268   2HH1  ARG  34          2HH1      ARG  34   0.935  10.046  -5.958
  269   1HH2  ARG  34          1HH2      ARG  34   2.544   9.971  -9.087
  270   2HH2  ARG  34          2HH2      ARG  34   2.100  10.979  -7.803
  271    H    PHE  35           H        PHE  35   0.034   5.051  -4.908
  272    HA   PHE  35           HA       PHE  35  -2.379   5.299  -6.117
  273   1HB   PHE  35          2HB       PHE  35  -3.647   5.825  -3.889
  274   2HB   PHE  35          1HB       PHE  35  -2.993   4.221  -4.095
  275    HD1  PHE  35           1HD      PHE  35  -3.444   6.788  -1.861
  276    HD2  PHE  35           2HD      PHE  35  -0.438   4.047  -3.116
  277    HE1  PHE  35           1HE      PHE  35  -2.346   6.991   0.318
  278    HE2  PHE  35           2HE      PHE  35   0.664   4.256  -0.934
  279    HZ   PHE  35           HZ       PHE  35  -0.294   5.723   0.790
  280    H    ASP  36           H        ASP  36  -3.285   8.009  -5.165
  281    HA   ASP  36           HA       ASP  36  -0.840   9.459  -5.107
  282   1HB   ASP  36          2HB       ASP  36  -3.615  10.198  -5.985
  283   2HB   ASP  36          1HB       ASP  36  -2.458  11.461  -5.599
  284    H    TYR  37           H        TYR  37  -0.392   9.210  -3.011
  285    HA   TYR  37           HA       TYR  37  -2.209   9.853  -0.856
  286   1HB   TYR  37          2HB       TYR  37  -0.429   8.143  -0.727
  287   2HB   TYR  37          1HB       TYR  37   0.776   9.360  -1.045
  288    HD1  TYR  37           1HD      TYR  37  -1.977   8.612   1.403
  289    HD2  TYR  37           2HD      TYR  37   1.888  10.297   0.819
  290    HE1  TYR  37           1HE      TYR  37  -1.779   8.973   3.828
  291    HE2  TYR  37           2HE      TYR  37   2.093  10.666   3.240
  292    HH   TYR  37           HH       TYR  37   0.751  10.869   5.233
  293    H    THR  38           H        THR  38  -2.495  11.944  -0.008
  294    HA   THR  38           HA       THR  38  -1.024  13.862  -1.441
  295    HB   THR  38           HB       THR  38  -2.934  15.303  -0.450
  296    HG1  THR  38           1HG      THR  38  -4.451  13.028  -0.331
  297   1HG2  THR  38          1HG2      THR  38  -4.453  14.474  -2.206
  298   2HG2  THR  38          2HG2      THR  38  -3.473  13.015  -2.358
  299   3HG2  THR  38          3HG2      THR  38  -2.793  14.582  -2.794
  300    H    GLY  39           H        GLY  39   0.306  12.668   0.703
  301   1HA   GLY  39          2HA       GLY  39   1.638  13.120   2.467
  302   2HA   GLY  39          1HA       GLY  39   1.365  14.785   2.045
  303    H    GLN  40           H        GLN  40  -1.690  14.330   3.080
  304    HA   GLN  40           HA       GLN  40  -0.851  14.323   5.868
  305   1HB   GLN  40          2HB       GLN  40  -1.033  16.666   5.026
  306   2HB   GLN  40          1HB       GLN  40  -2.712  16.360   4.613
  307   1HG   GLN  40          2HG       GLN  40  -2.684  17.536   6.671
  308   2HG   GLN  40          1HG       GLN  40  -3.124  15.860   7.023
  309   1HE2  GLN  40          1HE2      GLN  40  -2.401  16.019   9.151
  310   2HE2  GLN  40          2HE2      GLN  40  -0.723  16.051   9.551
  311    H    GLY  41           H        GLY  41  -2.471  12.973   7.095
  312   1HA   GLY  41          2HA       GLY  41  -4.688  12.600   7.588
  313   2HA   GLY  41          1HA       GLY  41  -5.135  13.432   6.112
  314    H    GLY  42           H        GLY  42  -3.083  10.599   6.579
  315   1HA   GLY  42          2HA       GLY  42  -4.844   9.249   4.681
  316   2HA   GLY  42          1HA       GLY  42  -3.093   9.087   4.690
  317    H    ASN  43           H        ASN  43  -3.083   6.872   4.969
  318    HA   ASN  43           HA       ASN  43  -4.285   5.622   7.330
  319   1HB   ASN  43          2HB       ASN  43  -4.201   3.718   5.911
  320   2HB   ASN  43          1HB       ASN  43  -5.075   4.948   5.013
  321   1HD2  ASN  43          1HD2      ASN  43  -3.647   2.600   4.081
  322   2HD2  ASN  43          2HD2      ASN  43  -2.414   3.165   2.996
  323    H    GLU  44           H        GLU  44  -3.100   3.967   8.014
  324    HA   GLU  44           HA       GLU  44  -0.373   4.672   8.872
  325   1HB   GLU  44          2HB       GLU  44  -2.051   2.233   9.347
  326   2HB   GLU  44          1HB       GLU  44  -0.624   2.750  10.233
  327   1HG   GLU  44          2HG       GLU  44  -3.312   4.105  10.175
  328   2HG   GLU  44          1HG       GLU  44  -2.586   3.230  11.522
  329    H    ASN  45           H        ASN  45  -1.751   2.669   6.435
  330    HA   ASN  45           HA       ASN  45   0.713   1.212   6.146
  331   1HB   ASN  45          2HB       ASN  45  -1.451   0.130   5.701
  332   2HB   ASN  45          1HB       ASN  45  -1.761   1.281   4.407
  333   1HD2  ASN  45          1HD2      ASN  45  -0.134  -1.541   5.338
  334   2HD2  ASN  45          2HD2      ASN  45   0.546  -1.929   3.793
  335    H    ASN  46           H        ASN  46   2.213   3.643   5.294
  336    HA   ASN  46           HA       ASN  46   1.573   3.511   2.679
  337   1HB   ASN  46          2HB       ASN  46   1.299   5.478   4.136
  338   2HB   ASN  46          1HB       ASN  46   2.995   5.369   4.581
  339   1HD2  ASN  46          1HD2      ASN  46   0.722   6.222   2.202
  340   2HD2  ASN  46          2HD2      ASN  46   1.813   7.048   1.142
  341    H    PHE  47           H        PHE  47   3.067   2.788   1.240
  342    HA   PHE  47           HA       PHE  47   5.622   2.194   2.347
  343   1HB   PHE  47          2HB       PHE  47   4.359   1.095  -0.152
  344   2HB   PHE  47          1HB       PHE  47   5.936   0.623   0.480
  345    HD1  PHE  47           1HD      PHE  47   2.616  -0.252   0.354
  346    HD2  PHE  47           2HD      PHE  47   5.849   0.028   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.511  -1.870   1.826
  348    HE2  PHE  47           2HE      PHE  47   4.759  -1.591   4.554
  349    HZ   PHE  47           HZ       PHE  47   2.580  -2.541   3.921
  350    H    ARG  48           H        ARG  48   7.366   3.145   1.414
  351    HA   ARG  48           HA       ARG  48   7.117   5.150  -0.810
  352   1HB   ARG  48          2HB       ARG  48   7.935   5.904   1.430
  353   2HB   ARG  48          1HB       ARG  48   9.285   4.802   1.241
  354   1HG   ARG  48          2HG       ARG  48   9.909   7.099   0.688
  355   2HG   ARG  48          1HG       ARG  48  10.056   6.041  -0.708
  356   1HD   ARG  48          2HD       ARG  48   8.047   6.966  -1.709
  357   2HD   ARG  48          1HD       ARG  48   7.637   7.837  -0.243
  358    HE   ARG  48           HE       ARG  48  10.094   8.725  -0.892
  359   1HH1  ARG  48          1HH1      ARG  48   7.110   8.552  -2.872
  360   2HH1  ARG  48          2HH1      ARG  48   7.298  10.116  -3.500
  361   1HH2  ARG  48          1HH2      ARG  48  10.292  10.904  -1.802
  362   2HH2  ARG  48          2HH2      ARG  48   9.130  11.482  -2.888
  363    H    ARG  49           H        ARG  49   8.251   1.855  -0.221
  364    HA   ARG  49           HA       ARG  49   9.655   2.130  -2.672
  365   1HB   ARG  49          2HB       ARG  49  11.313   2.197  -0.902
  366   2HB   ARG  49          1HB       ARG  49  10.617   0.787  -0.133
  367   1HG   ARG  49          2HG       ARG  49  11.406  -0.644  -1.865
  368   2HG   ARG  49          1HG       ARG  49  11.880   0.736  -2.859
  369   1HD   ARG  49          2HD       ARG  49  13.828  -0.270  -1.802
  370   2HD   ARG  49          1HD       ARG  49  13.562   1.358  -1.192
  371    HE   ARG  49           HE       ARG  49  12.708  -1.029   0.305
  372   1HH1  ARG  49          1HH1      ARG  49  14.434   2.089   0.211
  373   2HH1  ARG  49          2HH1      ARG  49  14.888   2.027   1.850
  374   1HH2  ARG  49          1HH2      ARG  49  13.336  -1.074   2.559
  375   2HH2  ARG  49          2HH2      ARG  49  14.283   0.192   3.196
  376    H    THR  50           H        THR  50   9.256   0.366  -4.012
  377    HA   THR  50           HA       THR  50   6.902  -1.017  -3.910
  378    HB   THR  50           HB       THR  50   9.286  -1.834  -5.557
  379    HG1  THR  50           1HG      THR  50   7.488   0.257  -6.265
  380   1HG2  THR  50          1HG2      THR  50   7.204  -3.154  -5.817
  381   2HG2  THR  50          2HG2      THR  50   7.555  -2.220  -7.269
  382   3HG2  THR  50          3HG2      THR  50   6.312  -1.668  -6.144
  383    H    TYR  51           H        TYR  51  10.185  -2.434  -3.522
  384    HA   TYR  51           HA       TYR  51   9.353  -5.048  -3.003
  385   1HB   TYR  51          2HB       TYR  51  11.650  -4.664  -3.582
  386   2HB   TYR  51          1HB       TYR  51  11.895  -3.611  -2.189
  387    HD1  TYR  51           1HD      TYR  51  13.017  -4.512  -0.402
  388    HD2  TYR  51           2HD      TYR  51  10.834  -7.122  -2.946
  389    HE1  TYR  51           1HE      TYR  51  13.776  -6.422   0.926
  390    HE2  TYR  51           2HE      TYR  51  11.597  -9.048  -1.626
  391    HH   TYR  51           HH       TYR  51  13.330  -9.651  -0.112
  392    H    ASP  52           H        ASP  52   9.652  -2.308  -0.899
  393    HA   ASP  52           HA       ASP  52   9.508  -3.813   1.536
  394   1HB   ASP  52          2HB       ASP  52  10.238  -1.443   1.492
  395   2HB   ASP  52          1HB       ASP  52   8.610  -0.964   1.029
  396    H    CYS  53           H        CYS  53   7.044  -2.345  -0.435
  397    HA   CYS  53           HA       CYS  53   4.713  -3.188   0.987
  398   1HB   CYS  53          2HB       CYS  53   4.694  -1.646  -0.956
  399   2HB   CYS  53          1HB       CYS  53   4.994  -3.024  -2.012
  400    H    GLN  54           H        GLN  54   6.248  -4.505  -1.503
  401    HA   GLN  54           HA       GLN  54   5.112  -7.135  -1.909
  402   1HB   GLN  54          2HB       GLN  54   6.538  -6.331  -3.564
  403   2HB   GLN  54          1HB       GLN  54   7.986  -6.484  -2.528
  404   1HG   GLN  54          2HG       GLN  54   7.471  -8.967  -2.553
  405   2HG   GLN  54          1HG       GLN  54   6.270  -8.619  -3.800
  406   1HE2  GLN  54          1HE2      GLN  54   9.607  -8.947  -3.081
  407   2HE2  GLN  54          2HE2      GLN  54  10.200  -8.705  -4.676
  408    H    ARG  55           H        ARG  55   7.787  -6.367   0.030
  409    HA   ARG  55           HA       ARG  55   8.181  -9.012   1.030
  410   1HB   ARG  55          2HB       ARG  55   9.996  -7.372   0.973
  411   2HB   ARG  55          1HB       ARG  55   9.122  -6.346   2.092
  412   1HG   ARG  55          2HG       ARG  55   9.430  -7.908   3.864
  413   2HG   ARG  55          1HG       ARG  55  10.106  -9.108   2.753
  414   1HD   ARG  55          2HD       ARG  55  11.965  -7.654   2.262
  415   2HD   ARG  55          1HD       ARG  55  11.285  -6.386   3.262
  416    HE   ARG  55           HE       ARG  55  11.573  -7.897   5.166
  417   1HH1  ARG  55          1HH1      ARG  55  13.512  -8.625   2.258
  418   2HH1  ARG  55          2HH1      ARG  55  14.858  -9.177   3.132
  419   1HH2  ARG  55          1HH2      ARG  55  13.468  -8.650   6.363
  420   2HH2  ARG  55          2HH2      ARG  55  14.860  -9.152   5.525
  421    H    THR  56           H        THR  56   6.377  -6.074   2.432
  422    HA   THR  56           HA       THR  56   5.822  -7.853   4.430
  423    HB   THR  56           HB       THR  56   6.104  -5.583   5.036
  424    HG1  THR  56           1HG      THR  56   4.697  -6.862   6.258
  425   1HG2  THR  56          1HG2      THR  56   3.602  -5.008   3.468
  426   2HG2  THR  56          2HG2      THR  56   5.237  -4.511   3.045
  427   3HG2  THR  56          3HG2      THR  56   4.462  -3.856   4.488
  428    H    CYS  57           H        CYS  57   3.769  -6.771   1.710
  429    HA   CYS  57           HA       CYS  57   1.457  -8.090   2.900
  430   1HB   CYS  57          2HB       CYS  57   1.468  -6.147   0.578
  431   2HB   CYS  57          1HB       CYS  57   0.089  -6.722   1.515
  432    H    LEU  58           H        LEU  58   3.677  -8.513   0.437
  433    HA   LEU  58           HA       LEU  58   1.893 -10.323  -0.992
  434   1HB   LEU  58          2HB       LEU  58   3.075  -8.544  -2.252
  435   2HB   LEU  58          1HB       LEU  58   4.604  -9.228  -1.779
  436    HG   LEU  58           HG       LEU  58   3.894  -9.613  -4.164
  437   1HD1  LEU  58          1HD1      LEU  58   4.425 -12.085  -2.548
  438   2HD1  LEU  58          2HD1      LEU  58   5.626 -10.991  -3.238
  439   3HD1  LEU  58          3HD1      LEU  58   4.584 -11.940  -4.299
  440   1HD2  LEU  58          1HD2      LEU  58   1.533  -9.999  -3.796
  441   2HD2  LEU  58          2HD2      LEU  58   1.895 -11.480  -2.903
  442   3HD2  LEU  58          3HD2      LEU  58   2.264 -11.372  -4.627
  443    H    TYR  59           H        TYR  59   4.579 -10.364   1.200
  444    HA   TYR  59           HA       TYR  59   4.976 -13.162   0.593
  445   1HB   TYR  59          2HB       TYR  59   6.546 -11.312   2.394
  446   2HB   TYR  59          1HB       TYR  59   6.847 -13.038   2.271
  447    HD1  TYR  59           1HD      TYR  59   8.861 -10.872   1.761
  448    HD2  TYR  59           2HD      TYR  59   6.204 -12.891  -0.865
  449    HE1  TYR  59           1HE      TYR  59  10.398 -10.458  -0.106
  450    HE2  TYR  59           2HE      TYR  59   7.726 -12.481  -2.733
  451    HH   TYR  59           HH       TYR  59  10.866 -11.593  -2.340
  452    H    THR  60           H        THR  60   2.998 -14.074   1.475
  453    HA   THR  60           HA       THR  60   2.853 -14.555   4.107
  454    HB   THR  60           HB       THR  60   2.283 -12.174   4.471
  455    HG1  THR  60           1HG      THR  60  -0.275 -12.952   4.846
  456   1HG2  THR  60          1HG2      THR  60   0.263 -11.139   3.495
  457   2HG2  THR  60          2HG2      THR  60  -0.009 -12.591   2.533
  458   3HG2  THR  60          3HG2      THR  60   1.416 -11.599   2.239
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1  -2.217 -13.953  11.079
    2   2H    LYS   1          2HT       LYS   1  -1.381 -12.675  10.436
    3   3H    LYS   1          3HT       LYS   1  -0.587 -13.705  11.527
    4    HA   LYS   1           HA       LYS   1   0.026 -14.046   9.214
    5   1HB   LYS   1          2HB       LYS   1  -0.486 -16.518   9.085
    6   2HB   LYS   1          1HB       LYS   1   0.137 -16.027  10.653
    7   1HG   LYS   1          2HG       LYS   1  -2.196 -15.968  11.499
    8   2HG   LYS   1          1HG       LYS   1  -2.734 -16.591   9.942
    9   1HD   LYS   1          2HD       LYS   1  -2.539 -18.364  11.637
   10   2HD   LYS   1          1HD       LYS   1  -1.424 -18.619  10.289
   11   1HE   LYS   1          2HE       LYS   1   0.421 -17.838  11.585
   12   2HE   LYS   1          1HE       LYS   1  -0.645 -17.274  12.869
   13   1HZ   LYS   1          1HZ       LYS   1  -1.200 -19.488  13.414
   14   2HZ   LYS   1          2HZ       LYS   1   0.471 -19.396  13.384
   15   3HZ   LYS   1          3HZ       LYS   1  -0.361 -20.130  12.094
   16    H    ASP   2           H        ASP   2  -0.999 -15.540   7.261
   17    HA   ASP   2           HA       ASP   2  -2.359 -15.542   5.451
   18   1HB   ASP   2          2HB       ASP   2  -4.429 -14.536   7.413
   19   2HB   ASP   2          1HB       ASP   2  -4.783 -14.608   5.694
   20    H    ARG   3           H        ARG   3  -3.081 -12.550   7.113
   21    HA   ARG   3           HA       ARG   3  -1.811 -11.050   4.957
   22   1HB   ARG   3          2HB       ARG   3  -4.604 -10.450   5.976
   23   2HB   ARG   3          1HB       ARG   3  -3.676  -9.469   4.879
   24   1HG   ARG   3          2HG       ARG   3  -3.918 -11.174   3.150
   25   2HG   ARG   3          1HG       ARG   3  -4.836 -12.187   4.278
   26   1HD   ARG   3          2HD       ARG   3  -6.445 -10.358   4.579
   27   2HD   ARG   3          1HD       ARG   3  -5.556  -9.391   3.420
   28    HE   ARG   3           HE       ARG   3  -6.271 -11.736   2.146
   29   1HH1  ARG   3          1HH1      ARG   3  -7.940  -9.119   3.820
   30   2HH1  ARG   3          2HH1      ARG   3  -9.266  -9.022   2.772
   31   1HH2  ARG   3          1HH2      ARG   3  -8.189 -11.653   0.615
   32   2HH2  ARG   3          2HH2      ARG   3  -9.391 -10.479   0.922
   33    HA   PRO   4           HA       PRO   4  -1.050  -8.911   8.827
   34   1HB   PRO   4          2HB       PRO   4   0.031  -6.761   7.012
   35   2HB   PRO   4          1HB       PRO   4   0.817  -7.498   8.413
   36   1HG   PRO   4          2HG       PRO   4   1.575  -8.102   5.911
   37   2HG   PRO   4          1HG       PRO   4   1.578  -9.315   7.201
   38   1HD   PRO   4          2HD       PRO   4  -0.391  -8.912   4.985
   39   2HD   PRO   4          1HD       PRO   4   0.225 -10.426   5.683
   40    H    SER   5           H        SER   5  -2.904  -7.658   9.520
   41    HA   SER   5           HA       SER   5  -4.926  -7.104   7.860
   42   1HB   SER   5          2HB       SER   5  -4.387  -5.966  10.582
   43   2HB   SER   5          1HB       SER   5  -5.960  -5.975   9.769
   44    HG   SER   5           HG       SER   5  -5.585  -8.261   9.498
   45    H    LEU   6           H        LEU   6  -2.119  -5.049   8.290
   46    HA   LEU   6           HA       LEU   6  -3.483  -2.694   7.714
   47   1HB   LEU   6          2HB       LEU   6  -1.151  -1.773   7.544
   48   2HB   LEU   6          1HB       LEU   6  -1.599  -2.455   9.084
   49    HG   LEU   6           HG       LEU   6  -0.300  -4.536   8.408
   50   1HD1  LEU   6          1HD1      LEU   6   1.447  -4.285   6.723
   51   2HD1  LEU   6          2HD1      LEU   6   0.772  -2.726   6.253
   52   3HD1  LEU   6          3HD1      LEU   6  -0.168  -4.202   6.018
   53   1HD2  LEU   6          1HD2      LEU   6   1.856  -3.539   8.992
   54   2HD2  LEU   6          2HD2      LEU   6   0.544  -2.937  10.008
   55   3HD2  LEU   6          3HD2      LEU   6   1.185  -1.937   8.705
   56    H    CYS   7           H        CYS   7  -2.591  -5.299   5.788
   57    HA   CYS   7           HA       CYS   7  -2.005  -3.840   3.404
   58   1HB   CYS   7          2HB       CYS   7  -2.829  -6.714   3.828
   59   2HB   CYS   7          1HB       CYS   7  -2.146  -6.039   2.355
   60    H    ASP   8           H        ASP   8  -4.772  -4.807   5.201
   61    HA   ASP   8           HA       ASP   8  -6.687  -4.489   2.985
   62   1HB   ASP   8          2HB       ASP   8  -6.816  -6.573   4.433
   63   2HB   ASP   8          1HB       ASP   8  -7.118  -5.540   5.823
   64    H    LEU   9           H        LEU   9  -5.221  -2.262   4.124
   65    HA   LEU   9           HA       LEU   9  -6.879  -1.145   6.217
   66   1HB   LEU   9          2HB       LEU   9  -4.348  -1.581   6.568
   67   2HB   LEU   9          1HB       LEU   9  -4.084  -0.352   5.370
   68    HG   LEU   9           HG       LEU   9  -3.712   0.468   7.626
   69   1HD1  LEU   9          1HD1      LEU   9  -4.423   2.094   6.022
   70   2HD1  LEU   9          2HD1      LEU   9  -5.095   2.466   7.612
   71   3HD1  LEU   9          3HD1      LEU   9  -6.115   1.739   6.368
   72   1HD2  LEU   9          1HD2      LEU   9  -6.610  -0.183   8.113
   73   2HD2  LEU   9          2HD2      LEU   9  -5.575   0.735   9.205
   74   3HD2  LEU   9          3HD2      LEU   9  -5.211  -0.957   8.860
   75    HA   PRO  10           HA       PRO  10  -9.066   1.148   3.409
   76   1HB   PRO  10          2HB       PRO  10  -7.889   3.384   4.969
   77   2HB   PRO  10          1HB       PRO  10  -9.553   3.125   4.429
   78   1HG   PRO  10          2HG       PRO  10  -8.526   2.439   6.929
   79   2HG   PRO  10          1HG       PRO  10 -10.038   1.839   6.224
   80   1HD   PRO  10          2HD       PRO  10  -7.713   0.337   6.808
   81   2HD   PRO  10          1HD       PRO  10  -9.127  -0.205   5.880
   82    H    ALA  11           H        ALA  11  -8.551   1.185   1.568
   83    HA   ALA  11           HA       ALA  11  -6.039   2.374   0.326
   84   1HB   ALA  11          1HB       ALA  11  -8.715   1.391  -0.835
   85   2HB   ALA  11          2HB       ALA  11  -7.197   0.510  -0.964
   86   3HB   ALA  11          3HB       ALA  11  -7.399   2.049  -1.807
   87    H    ASP  12           H        ASP  12  -5.936   4.057   1.182
   88    HA   ASP  12           HA       ASP  12  -8.002   6.097   0.722
   89   1HB   ASP  12          2HB       ASP  12  -8.204   5.432   3.090
   90   2HB   ASP  12          1HB       ASP  12  -6.490   5.759   3.318
   91    H    SER  13           H        SER  13  -7.617   8.096   0.223
   92    HA   SER  13           HA       SER  13  -4.971   8.407  -1.061
   93   1HB   SER  13          2HB       SER  13  -6.261  10.244  -2.224
   94   2HB   SER  13          1HB       SER  13  -6.754   8.589  -2.601
   95    HG   SER  13           HG       SER  13  -8.070  10.458  -0.876
   96    H    GLY  14           H        GLY  14  -6.646   9.635   1.616
   97   1HA   GLY  14          2HA       GLY  14  -5.865  11.178   3.114
   98   2HA   GLY  14          1HA       GLY  14  -4.443  11.389   2.097
   99    H    SER  15           H        SER  15  -5.551  13.566   3.160
  100    HA   SER  15           HA       SER  15  -6.460  14.625   0.942
  101   1HB   SER  15          2HB       SER  15  -8.493  15.011   3.162
  102   2HB   SER  15          1HB       SER  15  -8.478  16.109   1.779
  103    HG   SER  15           HG       SER  15  -9.751  13.900   1.898
  104    H    GLY  16           H        GLY  16  -4.204  14.846   1.764
  105   1HA   GLY  16          2HA       GLY  16  -3.682  17.192   3.277
  106   2HA   GLY  16          1HA       GLY  16  -2.517  16.121   2.535
  107    H    THR  17           H        THR  17  -1.756  18.453   2.460
  108    HA   THR  17           HA       THR  17  -2.675  20.127   0.280
  109    HB   THR  17           HB       THR  17  -0.786  21.505   1.261
  110    HG1  THR  17           1HG      THR  17  -0.724  20.569   3.659
  111   1HG2  THR  17          1HG2      THR  17  -3.177  21.925   1.699
  112   2HG2  THR  17          2HG2      THR  17  -2.210  22.210   3.141
  113   3HG2  THR  17          3HG2      THR  17  -3.151  20.724   2.991
  114    H    LYS  18           H        LYS  18  -0.260  17.618   0.524
  115    HA   LYS  18           HA       LYS  18   1.656  18.751  -1.450
  116   1HB   LYS  18          2HB       LYS  18   2.518  18.366   0.903
  117   2HB   LYS  18          1HB       LYS  18   1.813  16.769   0.863
  118   1HG   LYS  18          2HG       LYS  18   4.153  16.551   0.548
  119   2HG   LYS  18          1HG       LYS  18   3.380  16.208  -0.995
  120   1HD   LYS  18          2HD       LYS  18   3.928  18.485  -1.746
  121   2HD   LYS  18          1HD       LYS  18   4.725  18.786  -0.194
  122   1HE   LYS  18          2HE       LYS  18   6.250  16.893  -0.655
  123   2HE   LYS  18          1HE       LYS  18   5.484  16.688  -2.225
  124   1HZ   LYS  18          1HZ       LYS  18   6.854  19.139  -1.319
  125   2HZ   LYS  18          2HZ       LYS  18   6.296  18.839  -2.911
  126   3HZ   LYS  18          3HZ       LYS  18   7.576  17.974  -2.288
  127    H    ALA  19           H        ALA  19   2.504  17.140  -2.835
  128    HA   ALA  19           HA       ALA  19   0.678  14.861  -3.258
  129   1HB   ALA  19          1HB       ALA  19   1.362  14.942  -5.611
  130   2HB   ALA  19          2HB       ALA  19   2.400  16.329  -5.275
  131   3HB   ALA  19          3HB       ALA  19   0.650  16.489  -5.143
  132    H    GLU  20           H        GLU  20   1.525  12.936  -2.899
  133    HA   GLU  20           HA       GLU  20   4.399  12.660  -3.054
  134   1HB   GLU  20          2HB       GLU  20   3.855  13.138  -0.731
  135   2HB   GLU  20          1HB       GLU  20   2.700  11.817  -0.702
  136   1HG   GLU  20          2HG       GLU  20   4.791  11.235   0.395
  137   2HG   GLU  20          1HG       GLU  20   4.474  10.222  -1.019
  138    H    LYS  21           H        LYS  21   5.034  10.606  -3.573
  139    HA   LYS  21           HA       LYS  21   2.997   8.860  -4.879
  140   1HB   LYS  21          2HB       LYS  21   4.935   9.850  -6.164
  141   2HB   LYS  21          1HB       LYS  21   5.991   8.931  -5.101
  142   1HG   LYS  21          2HG       LYS  21   4.759   6.869  -5.860
  143   2HG   LYS  21          1HG       LYS  21   4.005   7.883  -7.088
  144   1HD   LYS  21          2HD       LYS  21   5.876   6.855  -8.113
  145   2HD   LYS  21          1HD       LYS  21   6.335   8.534  -7.799
  146   1HE   LYS  21          2HE       LYS  21   7.498   7.824  -5.762
  147   2HE   LYS  21          1HE       LYS  21   7.029   6.152  -6.083
  148   1HZ   LYS  21          1HZ       LYS  21   8.956   7.828  -7.618
  149   2HZ   LYS  21          2HZ       LYS  21   8.228   6.475  -8.267
  150   3HZ   LYS  21          3HZ       LYS  21   9.177   6.301  -6.905
  151    H    ARG  22           H        ARG  22   2.224   7.343  -3.269
  152    HA   ARG  22           HA       ARG  22   4.435   5.996  -2.094
  153   1HB   ARG  22          2HB       ARG  22   1.615   6.438  -1.136
  154   2HB   ARG  22          1HB       ARG  22   2.792   5.430  -0.309
  155   1HG   ARG  22          2HG       ARG  22   3.168   8.372  -0.862
  156   2HG   ARG  22          1HG       ARG  22   2.511   7.728   0.640
  157   1HD   ARG  22          2HD       ARG  22   4.615   6.507   1.014
  158   2HD   ARG  22          1HD       ARG  22   5.263   7.177  -0.485
  159    HE   ARG  22           HE       ARG  22   5.324   9.317   0.502
  160   1HH1  ARG  22          1HH1      ARG  22   4.430   6.807   2.839
  161   2HH1  ARG  22          2HH1      ARG  22   4.823   7.707   4.206
  162   1HH2  ARG  22          1HH2      ARG  22   5.866  10.631   2.469
  163   2HH2  ARG  22          2HH2      ARG  22   5.587   9.928   3.981
  164    H    ILE  23           H        ILE  23   3.225   3.512  -1.382
  165    HA   ILE  23           HA       ILE  23   1.523   2.724  -3.615
  166    HB   ILE  23           HB       ILE  23   3.862   2.139  -4.273
  167   1HG1  ILE  23          2HG1      ILE  23   2.339  -0.363  -3.584
  168   2HG1  ILE  23          1HG1      ILE  23   1.982   0.677  -4.957
  169   1HG2  ILE  23          1HG2      ILE  23   4.856   1.847  -2.063
  170   2HG2  ILE  23          2HG2      ILE  23   5.133   0.443  -3.107
  171   3HG2  ILE  23          3HG2      ILE  23   3.906   0.364  -1.859
  172   1HD1  ILE  23          1HD1      ILE  23   4.552  -0.819  -4.502
  173   2HD1  ILE  23          2HD1      ILE  23   4.181   0.214  -5.888
  174   3HD1  ILE  23          3HD1      ILE  23   3.266  -1.270  -5.623
  175    H    TYR  24           H        TYR  24   0.006   1.016  -3.020
  176    HA   TYR  24           HA       TYR  24   0.224   0.207  -0.188
  177   1HB   TYR  24          2HB       TYR  24  -2.144   0.529   0.191
  178   2HB   TYR  24          1HB       TYR  24  -1.509   2.036  -0.434
  179    HD1  TYR  24           1HD      TYR  24  -3.838  -0.661  -0.892
  180    HD2  TYR  24           2HD      TYR  24  -2.115   2.682  -2.827
  181    HE1  TYR  24           1HE      TYR  24  -5.644  -0.714  -2.542
  182    HE2  TYR  24           2HE      TYR  24  -3.916   2.642  -4.487
  183    HH   TYR  24           HH       TYR  24  -6.745   0.730  -4.119
  184    H    TYR  25           H        TYR  25  -0.730  -1.657   0.160
  185    HA   TYR  25           HA       TYR  25  -0.617  -3.646  -1.882
  186   1HB   TYR  25          2HB       TYR  25  -0.266  -4.439   0.329
  187   2HB   TYR  25          1HB       TYR  25  -1.884  -3.949   0.827
  188    HD1  TYR  25           1HD      TYR  25  -0.237  -6.163  -1.719
  189    HD2  TYR  25           2HD      TYR  25  -3.533  -5.579   0.898
  190    HE1  TYR  25           1HE      TYR  25  -1.098  -8.398  -2.302
  191    HE2  TYR  25           2HE      TYR  25  -4.396  -7.804   0.328
  192    HH   TYR  25           HH       TYR  25  -2.527 -10.093  -1.338
  193    H    ASN  26           H        ASN  26  -2.287  -4.060  -3.433
  194    HA   ASN  26           HA       ASN  26  -5.004  -3.178  -2.771
  195   1HB   ASN  26          2HB       ASN  26  -3.963  -2.479  -4.976
  196   2HB   ASN  26          1HB       ASN  26  -3.914  -4.185  -5.411
  197   1HD2  ASN  26          1HD2      ASN  26  -5.878  -1.395  -5.034
  198   2HD2  ASN  26          2HD2      ASN  26  -7.333  -2.095  -5.632
  199    H    SER  27           H        SER  27  -6.359  -4.440  -2.293
  200    HA   SER  27           HA       SER  27  -5.463  -7.059  -1.793
  201   1HB   SER  27          2HB       SER  27  -6.726  -5.961  -0.022
  202   2HB   SER  27          1HB       SER  27  -8.181  -5.974  -1.020
  203    HG   SER  27           HG       SER  27  -8.457  -8.005  -0.672
  204    H    ALA  28           H        ALA  28  -7.839  -5.763  -4.019
  205    HA   ALA  28           HA       ALA  28  -9.041  -8.254  -4.619
  206   1HB   ALA  28          1HB       ALA  28 -10.276  -6.208  -4.907
  207   2HB   ALA  28          2HB       ALA  28 -10.142  -7.036  -6.459
  208   3HB   ALA  28          3HB       ALA  28  -9.120  -5.642  -6.114
  209    H    ARG  29           H        ARG  29  -6.642  -6.191  -5.961
  210    HA   ARG  29           HA       ARG  29  -6.060  -7.865  -8.292
  211   1HB   ARG  29          2HB       ARG  29  -4.552  -5.448  -7.261
  212   2HB   ARG  29          1HB       ARG  29  -4.170  -6.308  -8.745
  213   1HG   ARG  29          2HG       ARG  29  -6.773  -4.895  -8.208
  214   2HG   ARG  29          1HG       ARG  29  -5.414  -4.213  -9.096
  215   1HD   ARG  29          2HD       ARG  29  -7.011  -6.658  -9.846
  216   2HD   ARG  29          1HD       ARG  29  -7.061  -5.085 -10.643
  217    HE   ARG  29           HE       ARG  29  -4.743  -6.921 -10.651
  218   1HH1  ARG  29          1HH1      ARG  29  -6.539  -4.273 -12.228
  219   2HH1  ARG  29          2HH1      ARG  29  -5.628  -4.369 -13.648
  220   1HH2  ARG  29          1HH2      ARG  29  -3.521  -6.982 -12.548
  221   2HH2  ARG  29          2HH2      ARG  29  -3.836  -5.876 -13.829
  222    H    LYS  30           H        LYS  30  -5.268  -7.992  -5.131
  223    HA   LYS  30           HA       LYS  30  -3.661  -8.905  -3.763
  224   1HB   LYS  30          2HB       LYS  30  -4.573 -10.957  -4.915
  225   2HB   LYS  30          1HB       LYS  30  -3.287 -10.820  -6.107
  226   1HG   LYS  30          2HG       LYS  30  -1.701 -10.948  -4.070
  227   2HG   LYS  30          1HG       LYS  30  -3.108 -11.580  -3.220
  228   1HD   LYS  30          2HD       LYS  30  -3.280 -13.390  -4.816
  229   2HD   LYS  30          1HD       LYS  30  -1.942 -12.712  -5.754
  230   1HE   LYS  30          2HE       LYS  30  -0.557 -12.902  -3.640
  231   2HE   LYS  30          1HE       LYS  30  -1.860 -13.888  -2.989
  232   1HZ   LYS  30          1HZ       LYS  30  -1.555 -15.393  -4.907
  233   2HZ   LYS  30          2HZ       LYS  30  -0.186 -15.281  -3.920
  234   3HZ   LYS  30          3HZ       LYS  30  -0.234 -14.451  -5.395
  235    H    GLN  31           H        GLN  31  -2.843  -6.982  -5.143
  236    HA   GLN  31           HA       GLN  31   0.205  -7.085  -5.372
  237   1HB   GLN  31          2HB       GLN  31   0.428  -6.293  -7.533
  238   2HB   GLN  31          1HB       GLN  31  -0.643  -7.676  -7.626
  239   1HG   GLN  31          2HG       GLN  31  -2.545  -6.115  -7.781
  240   2HG   GLN  31          1HG       GLN  31  -1.391  -4.777  -7.810
  241   1HE2  GLN  31          1HE2      GLN  31  -1.928  -4.134  -9.911
  242   2HE2  GLN  31          2HE2      GLN  31  -1.480  -5.079 -11.273
  243    H    CYS  32           H        CYS  32   1.494  -5.301  -5.081
  244    HA   CYS  32           HA       CYS  32  -0.254  -3.735  -3.792
  245   1HB   CYS  32          2HB       CYS  32   1.842  -2.535  -2.858
  246   2HB   CYS  32          1HB       CYS  32   1.523  -4.192  -2.388
  247    H    LEU  33           H        LEU  33  -0.442  -1.348  -4.542
  248    HA   LEU  33           HA       LEU  33   0.998  -0.461  -6.944
  249   1HB   LEU  33          2HB       LEU  33  -1.077  -0.149  -8.190
  250   2HB   LEU  33          1HB       LEU  33  -0.742  -1.843  -7.951
  251    HG   LEU  33           HG       LEU  33  -2.499  -1.791  -6.102
  252   1HD1  LEU  33          1HD1      LEU  33  -4.173  -0.026  -6.225
  253   2HD1  LEU  33          2HD1      LEU  33  -3.177   0.853  -7.386
  254   3HD1  LEU  33          3HD1      LEU  33  -2.604   0.607  -5.741
  255   1HD2  LEU  33          1HD2      LEU  33  -4.337  -1.969  -7.691
  256   2HD2  LEU  33          2HD2      LEU  33  -2.888  -2.779  -8.281
  257   3HD2  LEU  33          3HD2      LEU  33  -3.344  -1.202  -8.931
  258    H    ARG  34           H        ARG  34   0.642   1.443  -7.585
  259    HA   ARG  34           HA       ARG  34   1.087   3.140  -5.340
  260   1HB   ARG  34          2HB       ARG  34   2.578   2.990  -7.303
  261   2HB   ARG  34          1HB       ARG  34   1.296   3.569  -8.329
  262   1HG   ARG  34          2HG       ARG  34   2.584   5.215  -6.148
  263   2HG   ARG  34          1HG       ARG  34   3.133   5.192  -7.817
  264   1HD   ARG  34          2HD       ARG  34   0.746   5.902  -8.421
  265   2HD   ARG  34          1HD       ARG  34   0.550   6.193  -6.690
  266    HE   ARG  34           HE       ARG  34   2.848   7.495  -7.535
  267   1HH1  ARG  34          1HH1      ARG  34  -0.679   7.729  -8.035
  268   2HH1  ARG  34          2HH1      ARG  34  -0.600   9.430  -8.267
  269   1HH2  ARG  34          1HH2      ARG  34   2.832   9.915  -7.919
  270   2HH2  ARG  34          2HH2      ARG  34   1.290  10.590  -8.171
  271    H    PHE  35           H        PHE  35   0.093   4.725  -4.799
  272    HA   PHE  35           HA       PHE  35  -2.348   5.215  -6.041
  273   1HB   PHE  35          2HB       PHE  35  -3.587   5.717  -3.857
  274   2HB   PHE  35          1HB       PHE  35  -2.957   4.096  -4.056
  275    HD1  PHE  35           1HD      PHE  35  -0.487   3.797  -2.945
  276    HD2  PHE  35           2HD      PHE  35  -3.378   6.703  -1.828
  277    HE1  PHE  35           1HE      PHE  35   0.515   3.939  -0.707
  278    HE2  PHE  35           2HE      PHE  35  -2.366   6.854   0.396
  279    HZ   PHE  35           HZ       PHE  35  -0.423   5.473   0.965
  280    H    ASP  36           H        ASP  36  -3.106   7.868  -5.159
  281    HA   ASP  36           HA       ASP  36  -0.652   9.163  -4.996
  282   1HB   ASP  36          2HB       ASP  36  -2.164  10.004  -6.723
  283   2HB   ASP  36          1HB       ASP  36  -3.476  10.147  -5.566
  284    H    TYR  37           H        TYR  37  -0.025   9.752  -2.967
  285    HA   TYR  37           HA       TYR  37  -2.010   9.920  -0.810
  286   1HB   TYR  37          2HB       TYR  37  -0.251   8.130  -0.762
  287   2HB   TYR  37          1HB       TYR  37   0.966   9.382  -0.812
  288    HD1  TYR  37           1HD      TYR  37   1.692  10.460   1.203
  289    HD2  TYR  37           2HD      TYR  37  -1.847   8.107   1.238
  290    HE1  TYR  37           1HE      TYR  37   1.594  10.654   3.647
  291    HE2  TYR  37           2HE      TYR  37  -1.958   8.294   3.678
  292    HH   TYR  37           HH       TYR  37  -0.085  10.492   5.443
  293    H    THR  38           H        THR  38  -2.058  11.936   0.393
  294    HA   THR  38           HA       THR  38  -0.562  13.764  -1.134
  295    HB   THR  38           HB       THR  38  -2.150  15.298   0.199
  296    HG1  THR  38           1HG      THR  38  -3.821  13.103   0.140
  297   1HG2  THR  38          1HG2      THR  38  -3.830  14.902  -1.528
  298   2HG2  THR  38          2HG2      THR  38  -3.101  13.340  -1.897
  299   3HG2  THR  38          3HG2      THR  38  -2.211  14.829  -2.222
  300    H    GLY  39           H        GLY  39  -0.837  13.143   2.406
  301   1HA   GLY  39          2HA       GLY  39   1.592  12.962   3.303
  302   2HA   GLY  39          1HA       GLY  39   1.764  14.538   2.544
  303    H    GLN  40           H        GLN  40  -1.351  14.699   3.625
  304    HA   GLN  40           HA       GLN  40  -0.639  14.759   6.341
  305   1HB   GLN  40          2HB       GLN  40  -0.618  17.108   5.635
  306   2HB   GLN  40          1HB       GLN  40  -2.174  16.921   4.843
  307   1HG   GLN  40          2HG       GLN  40  -2.440  18.122   6.926
  308   2HG   GLN  40          1HG       GLN  40  -3.241  16.561   7.016
  309   1HE2  GLN  40          1HE2      GLN  40  -2.366  18.287   9.155
  310   2HE2  GLN  40          2HE2      GLN  40  -1.322  17.350  10.149
  311    H    GLY  41           H        GLY  41  -2.375  13.329   7.301
  312   1HA   GLY  41          2HA       GLY  41  -4.665  12.924   7.591
  313   2HA   GLY  41          1HA       GLY  41  -4.977  13.841   6.139
  314    H    GLY  42           H        GLY  42  -2.997  10.858   6.593
  315   1HA   GLY  42          2HA       GLY  42  -4.650   9.734   4.414
  316   2HA   GLY  42          1HA       GLY  42  -2.923   9.460   4.566
  317    H    ASN  43           H        ASN  43  -3.134   7.181   4.561
  318    HA   ASN  43           HA       ASN  43  -4.563   5.712   6.702
  319   1HB   ASN  43          2HB       ASN  43  -4.831   4.061   4.994
  320   2HB   ASN  43          1HB       ASN  43  -5.509   5.549   4.350
  321   1HD2  ASN  43          1HD2      ASN  43  -4.552   3.237   2.902
  322   2HD2  ASN  43          2HD2      ASN  43  -3.218   3.781   1.920
  323    H    GLU  44           H        GLU  44  -3.577   3.746   7.176
  324    HA   GLU  44           HA       GLU  44  -0.757   4.021   7.716
  325   1HB   GLU  44          2HB       GLU  44  -2.700   1.807   8.352
  326   2HB   GLU  44          1HB       GLU  44  -1.085   2.012   9.009
  327   1HG   GLU  44          2HG       GLU  44  -3.460   3.793   9.456
  328   2HG   GLU  44          1HG       GLU  44  -2.698   2.723  10.632
  329    H    ASN  45           H        ASN  45  -2.717   2.420   5.390
  330    HA   ASN  45           HA       ASN  45  -0.644   0.540   4.562
  331   1HB   ASN  45          2HB       ASN  45  -3.096  -0.055   4.381
  332   2HB   ASN  45          1HB       ASN  45  -3.328   1.320   3.323
  333   1HD2  ASN  45          1HD2      ASN  45  -4.289  -0.294   1.982
  334   2HD2  ASN  45          2HD2      ASN  45  -3.318  -1.241   0.917
  335    H    ASN  46           H        ASN  46   0.889   1.841   4.368
  336    HA   ASN  46           HA       ASN  46   0.961   3.649   2.082
  337   1HB   ASN  46          2HB       ASN  46   0.350   4.945   4.106
  338   2HB   ASN  46          1HB       ASN  46   1.796   4.347   4.898
  339   1HD2  ASN  46          1HD2      ASN  46   1.012   7.001   4.449
  340   2HD2  ASN  46          2HD2      ASN  46   2.241   7.774   3.528
  341    H    PHE  47           H        PHE  47   2.561   2.652   0.952
  342    HA   PHE  47           HA       PHE  47   4.869   1.995   2.514
  343   1HB   PHE  47          2HB       PHE  47   3.926   0.783  -0.075
  344   2HB   PHE  47          1HB       PHE  47   5.478   0.402   0.667
  345    HD1  PHE  47           1HD      PHE  47   5.485  -0.615   2.968
  346    HD2  PHE  47           2HD      PHE  47   1.937  -0.227   0.659
  347    HE1  PHE  47           1HE      PHE  47   4.376  -2.285   4.385
  348    HE2  PHE  47           2HE      PHE  47   0.825  -1.897   2.075
  349    HZ   PHE  47           HZ       PHE  47   2.044  -2.926   3.938
  350    H    ARG  48           H        ARG  48   6.816   2.751   1.662
  351    HA   ARG  48           HA       ARG  48   6.749   4.923  -0.396
  352   1HB   ARG  48          2HB       ARG  48   7.684   5.462   1.868
  353   2HB   ARG  48          1HB       ARG  48   8.922   4.243   1.587
  354   1HG   ARG  48          2HG       ARG  48  10.032   6.156   0.952
  355   2HG   ARG  48          1HG       ARG  48   9.400   5.592  -0.586
  356   1HD   ARG  48          2HD       ARG  48   8.859   7.883  -0.658
  357   2HD   ARG  48          1HD       ARG  48   7.379   7.217  -0.029
  358    HE   ARG  48           HE       ARG  48   8.578   7.699   2.236
  359   1HH1  ARG  48          1HH1      ARG  48   8.551   9.686  -0.677
  360   2HH1  ARG  48          2HH1      ARG  48   8.782  11.163   0.128
  361   1HH2  ARG  48          1HH2      ARG  48   8.911   9.744   3.402
  362   2HH2  ARG  48          2HH2      ARG  48   8.973  11.187   2.533
  363    H    ARG  49           H        ARG  49   7.689   1.512   0.002
  364    HA   ARG  49           HA       ARG  49   9.400   1.920  -2.224
  365   1HB   ARG  49          2HB       ARG  49  10.750   1.769  -0.186
  366   2HB   ARG  49          1HB       ARG  49   9.966   0.258   0.244
  367   1HG   ARG  49          2HG       ARG  49  11.010  -0.858  -1.618
  368   2HG   ARG  49          1HG       ARG  49  11.698   0.664  -2.186
  369   1HD   ARG  49          2HD       ARG  49  12.944   0.842  -0.050
  370   2HD   ARG  49          1HD       ARG  49  12.318  -0.736   0.415
  371    HE   ARG  49           HE       ARG  49  13.500  -1.512  -1.731
  372   1HH1  ARG  49          1HH1      ARG  49  14.714   1.071   0.383
  373   2HH1  ARG  49          2HH1      ARG  49  16.329   0.903  -0.092
  374   1HH2  ARG  49          1HH2      ARG  49  15.707  -1.825  -2.317
  375   2HH2  ARG  49          2HH2      ARG  49  16.923  -0.810  -1.671
  376    H    THR  50           H        THR  50   9.185   0.269  -3.735
  377    HA   THR  50           HA       THR  50   6.777  -1.109  -3.900
  378    HB   THR  50           HB       THR  50   9.232  -1.627  -5.576
  379    HG1  THR  50           1HG      THR  50   7.381   0.568  -5.755
  380   1HG2  THR  50          1HG2      THR  50   7.198  -2.940  -6.090
  381   2HG2  THR  50          2HG2      THR  50   7.565  -1.794  -7.376
  382   3HG2  THR  50          3HG2      THR  50   6.275  -1.445  -6.224
  383    H    TYR  51           H        TYR  51   9.960  -2.252  -2.842
  384    HA   TYR  51           HA       TYR  51   9.140  -4.985  -2.889
  385   1HB   TYR  51          2HB       TYR  51  11.512  -4.519  -3.076
  386   2HB   TYR  51          1HB       TYR  51  11.514  -3.669  -1.536
  387    HD1  TYR  51           1HD      TYR  51  12.259  -4.800   0.338
  388    HD2  TYR  51           2HD      TYR  51  10.740  -7.049  -2.937
  389    HE1  TYR  51           1HE      TYR  51  12.823  -6.881   1.511
  390    HE2  TYR  51           2HE      TYR  51  11.301  -9.134  -1.776
  391    HH   TYR  51           HH       TYR  51  12.838  -9.880  -0.038
  392    H    ASP  52           H        ASP  52   9.331  -2.462  -0.467
  393    HA   ASP  52           HA       ASP  52   8.758  -4.065   1.812
  394   1HB   ASP  52          2HB       ASP  52   8.223  -1.141   1.314
  395   2HB   ASP  52          1HB       ASP  52   7.681  -1.915   2.798
  396    H    CYS  53           H        CYS  53   6.451  -2.436  -0.301
  397    HA   CYS  53           HA       CYS  53   4.127  -3.344   1.046
  398   1HB   CYS  53          2HB       CYS  53   2.914  -3.056  -1.087
  399   2HB   CYS  53          1HB       CYS  53   3.897  -1.676  -0.645
  400    H    GLN  54           H        GLN  54   5.644  -4.564  -1.463
  401    HA   GLN  54           HA       GLN  54   4.308  -7.076  -1.887
  402   1HB   GLN  54          2HB       GLN  54   5.435  -6.305  -3.749
  403   2HB   GLN  54          1HB       GLN  54   7.037  -6.470  -2.987
  404   1HG   GLN  54          2HG       GLN  54   6.808  -8.861  -3.093
  405   2HG   GLN  54          1HG       GLN  54   5.137  -8.712  -3.643
  406   1HE2  GLN  54          1HE2      GLN  54   4.733  -8.034  -5.724
  407   2HE2  GLN  54          2HE2      GLN  54   5.923  -8.079  -6.970
  408    H    ARG  55           H        ARG  55   7.197  -6.639  -0.152
  409    HA   ARG  55           HA       ARG  55   7.551  -9.417   0.724
  410   1HB   ARG  55          2HB       ARG  55   9.298  -7.572   0.824
  411   2HB   ARG  55          1HB       ARG  55   8.321  -6.815   2.063
  412   1HG   ARG  55          2HG       ARG  55   8.646  -8.850   3.461
  413   2HG   ARG  55          1HG       ARG  55   9.773  -9.436   2.229
  414   1HD   ARG  55          2HD       ARG  55  10.995  -7.270   2.450
  415   2HD   ARG  55          1HD       ARG  55   9.977  -6.914   3.835
  416    HE   ARG  55           HE       ARG  55  11.197  -9.398   4.226
  417   1HH1  ARG  55          1HH1      ARG  55  11.924  -5.944   4.180
  418   2HH1  ARG  55          2HH1      ARG  55  13.350  -6.061   5.094
  419   1HH2  ARG  55          1HH2      ARG  55  13.155  -9.610   5.407
  420   2HH2  ARG  55          2HH2      ARG  55  14.107  -8.235   5.809
  421    H    THR  56           H        THR  56   5.976  -6.566   2.473
  422    HA   THR  56           HA       THR  56   5.354  -8.543   4.336
  423    HB   THR  56           HB       THR  56   5.701  -6.236   5.070
  424    HG1  THR  56           1HG      THR  56   3.647  -7.803   5.803
  425   1HG2  THR  56          1HG2      THR  56   3.067  -5.650   3.713
  426   2HG2  THR  56          2HG2      THR  56   4.649  -5.059   3.205
  427   3HG2  THR  56          3HG2      THR  56   3.965  -4.536   4.747
  428    H    CYS  57           H        CYS  57   3.473  -7.315   1.622
  429    HA   CYS  57           HA       CYS  57   1.159  -8.738   2.693
  430   1HB   CYS  57          2HB       CYS  57   1.247  -6.750   0.446
  431   2HB   CYS  57          1HB       CYS  57  -0.185  -7.452   1.181
  432    H    LEU  58           H        LEU  58   3.499  -9.262   0.204
  433    HA   LEU  58           HA       LEU  58   1.568 -10.982  -1.119
  434   1HB   LEU  58          2HB       LEU  58   2.771  -9.421  -2.573
  435   2HB   LEU  58          1HB       LEU  58   4.290 -10.158  -2.113
  436    HG   LEU  58           HG       LEU  58   3.497 -12.297  -3.137
  437   1HD1  LEU  58          1HD1      LEU  58   1.604 -12.227  -4.671
  438   2HD1  LEU  58          2HD1      LEU  58   1.241 -10.585  -4.147
  439   3HD1  LEU  58          3HD1      LEU  58   1.114 -11.925  -3.003
  440   1HD2  LEU  58          1HD2      LEU  58   4.969 -10.791  -4.358
  441   2HD2  LEU  58          2HD2      LEU  58   3.571  -9.904  -4.967
  442   3HD2  LEU  58          3HD2      LEU  58   3.835 -11.582  -5.452
  443    H    TYR  59           H        TYR  59   4.316 -11.159   0.933
  444    HA   TYR  59           HA       TYR  59   4.810 -13.875   0.116
  445   1HB   TYR  59          2HB       TYR  59   6.458 -12.020   1.842
  446   2HB   TYR  59          1HB       TYR  59   6.827 -13.727   1.651
  447    HD1  TYR  59           1HD      TYR  59   8.011 -14.494  -0.206
  448    HD2  TYR  59           2HD      TYR  59   6.486 -10.539  -0.232
  449    HE1  TYR  59           1HE      TYR  59   9.271 -14.032  -2.253
  450    HE2  TYR  59           2HE      TYR  59   7.744 -10.057  -2.278
  451    HH   TYR  59           HH       TYR  59   9.592 -10.841  -3.541
  452    H    THR  60           H        THR  60   2.827 -14.700   1.089
  453    HA   THR  60           HA       THR  60   2.940 -15.020   3.863
  454    HB   THR  60           HB       THR  60   1.811 -12.840   3.724
  455    HG1  THR  60           1HG      THR  60  -0.467 -13.892   4.309
  456   1HG2  THR  60          1HG2      THR  60  -0.347 -12.570   2.541
  457   2HG2  THR  60          2HG2      THR  60  -0.161 -14.190   1.870
  458   3HG2  THR  60          3HG2      THR  60   0.980 -12.921   1.430
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1  -4.249 -16.747   3.787
    2   2H    LYS   1          2HT       LYS   1  -4.482 -15.161   3.211
    3   3H    LYS   1          3HT       LYS   1  -5.399 -16.423   2.597
    4    HA   LYS   1           HA       LYS   1  -6.667 -15.052   4.157
    5   1HB   LYS   1          2HB       LYS   1  -7.561 -16.880   5.483
    6   2HB   LYS   1          1HB       LYS   1  -7.314 -17.360   3.818
    7   1HG   LYS   1          2HG       LYS   1  -5.348 -18.607   4.424
    8   2HG   LYS   1          1HG       LYS   1  -5.461 -18.031   6.089
    9   1HD   LYS   1          2HD       LYS   1  -7.617 -19.172   6.324
   10   2HD   LYS   1          1HD       LYS   1  -7.486 -19.742   4.659
   11   1HE   LYS   1          2HE       LYS   1  -5.511 -21.015   5.203
   12   2HE   LYS   1          1HE       LYS   1  -5.499 -20.365   6.842
   13   1HZ   LYS   1          1HZ       LYS   1  -7.571 -21.489   7.283
   14   2HZ   LYS   1          2HZ       LYS   1  -6.432 -22.608   6.709
   15   3HZ   LYS   1          3HZ       LYS   1  -7.649 -22.058   5.689
   16    H    ASP   2           H        ASP   2  -3.509 -15.973   5.271
   17    HA   ASP   2           HA       ASP   2  -4.022 -15.284   8.047
   18   1HB   ASP   2          2HB       ASP   2  -2.287 -17.002   7.323
   19   2HB   ASP   2          1HB       ASP   2  -1.383 -15.684   6.598
   20    H    ARG   3           H        ARG   3  -1.876 -13.968   5.710
   21    HA   ARG   3           HA       ARG   3  -1.119 -11.763   5.206
   22   1HB   ARG   3          2HB       ARG   3  -3.718 -10.906   6.431
   23   2HB   ARG   3          1HB       ARG   3  -2.690  -9.964   5.387
   24   1HG   ARG   3          2HG       ARG   3  -3.270 -11.414   3.524
   25   2HG   ARG   3          1HG       ARG   3  -4.290 -12.389   4.607
   26   1HD   ARG   3          2HD       ARG   3  -5.465 -10.279   5.246
   27   2HD   ARG   3          1HD       ARG   3  -4.581  -9.465   3.969
   28    HE   ARG   3           HE       ARG   3  -5.742 -11.262   2.529
   29   1HH1  ARG   3          1HH1      ARG   3  -7.094  -9.644   5.382
   30   2HH1  ARG   3          2HH1      ARG   3  -8.700  -9.614   4.819
   31   1HH2  ARG   3          1HH2      ARG   3  -7.972 -11.195   1.704
   32   2HH2  ARG   3          2HH2      ARG   3  -9.204 -10.496   2.627
   33    HA   PRO   4           HA       PRO   4  -0.237  -9.478   9.010
   34   1HB   PRO   4          2HB       PRO   4   0.786  -7.404   7.119
   35   2HB   PRO   4          1HB       PRO   4   1.668  -8.206   8.428
   36   1HG   PRO   4          2HG       PRO   4   2.210  -8.742   5.870
   37   2HG   PRO   4          1HG       PRO   4   2.236 -10.018   7.107
   38   1HD   PRO   4          2HD       PRO   4   0.061  -9.333   5.155
   39   2HD   PRO   4          1HD       PRO   4   0.750 -10.931   5.540
   40    H    SER   5           H        SER   5  -2.044  -8.141   9.684
   41    HA   SER   5           HA       SER   5  -4.174  -7.747   8.093
   42   1HB   SER   5          2HB       SER   5  -5.052  -6.303   9.913
   43   2HB   SER   5          1HB       SER   5  -4.392  -7.858  10.422
   44    HG   SER   5           HG       SER   5  -3.783  -5.565  11.360
   45    H    LEU   6           H        LEU   6  -1.406  -5.664   7.989
   46    HA   LEU   6           HA       LEU   6  -2.937  -3.321   7.329
   47   1HB   LEU   6          2HB       LEU   6  -0.925  -2.086   7.329
   48   2HB   LEU   6          1HB       LEU   6  -0.888  -3.116   8.730
   49    HG   LEU   6           HG       LEU   6   0.674  -3.635   6.186
   50   1HD1  LEU   6          1HD1      LEU   6   1.404  -1.580   7.275
   51   2HD1  LEU   6          2HD1      LEU   6   2.615  -2.855   7.427
   52   3HD1  LEU   6          3HD1      LEU   6   1.589  -2.449   8.800
   53   1HD2  LEU   6          1HD2      LEU   6   0.308  -5.666   7.445
   54   2HD2  LEU   6          2HD2      LEU   6   0.844  -4.877   8.932
   55   3HD2  LEU   6          3HD2      LEU   6   1.982  -5.155   7.617
   56    H    CYS   7           H        CYS   7  -2.934  -5.737   5.612
   57    HA   CYS   7           HA       CYS   7  -2.130  -4.450   3.099
   58   1HB   CYS   7          2HB       CYS   7  -2.890  -7.318   3.694
   59   2HB   CYS   7          1HB       CYS   7  -2.330  -6.703   2.143
   60    H    ASP   8           H        ASP   8  -4.608  -5.254   5.113
   61    HA   ASP   8           HA       ASP   8  -6.798  -5.085   3.188
   62   1HB   ASP   8          2HB       ASP   8  -6.737  -7.020   4.798
   63   2HB   ASP   8          1HB       ASP   8  -6.730  -5.886   6.134
   64    H    LEU   9           H        LEU   9  -5.183  -2.833   3.754
   65    HA   LEU   9           HA       LEU   9  -5.854  -1.522   6.198
   66   1HB   LEU   9          2HB       LEU   9  -3.942  -0.147   5.700
   67   2HB   LEU   9          1HB       LEU   9  -3.499  -1.815   5.496
   68    HG   LEU   9           HG       LEU   9  -2.336  -0.673   3.851
   69   1HD1  LEU   9          1HD1      LEU   9  -3.122  -1.292   1.661
   70   2HD1  LEU   9          2HD1      LEU   9  -4.678  -1.738   2.369
   71   3HD1  LEU   9          3HD1      LEU   9  -3.215  -2.596   2.844
   72   1HD2  LEU   9          1HD2      LEU   9  -3.339   1.484   3.939
   73   2HD2  LEU   9          2HD2      LEU   9  -4.789   0.901   3.136
   74   3HD2  LEU   9          3HD2      LEU   9  -3.260   0.966   2.256
   75    HA   PRO  10           HA       PRO  10  -8.411   1.252   4.301
   76   1HB   PRO  10          2HB       PRO  10  -7.680   3.755   5.240
   77   2HB   PRO  10          1HB       PRO  10  -8.659   2.584   6.130
   78   1HG   PRO  10          2HG       PRO  10  -5.745   3.167   6.339
   79   2HG   PRO  10          1HG       PRO  10  -6.904   2.745   7.615
   80   1HD   PRO  10          2HD       PRO  10  -5.123   0.984   6.544
   81   2HD   PRO  10          1HD       PRO  10  -6.687   0.505   7.237
   82    H    ALA  11           H        ALA  11  -8.102   1.321   2.121
   83    HA   ALA  11           HA       ALA  11  -5.747   2.630   0.786
   84   1HB   ALA  11          1HB       ALA  11  -8.480   1.623  -0.207
   85   2HB   ALA  11          2HB       ALA  11  -6.966   0.748  -0.448
   86   3HB   ALA  11          3HB       ALA  11  -7.221   2.302  -1.241
   87    H    ASP  12           H        ASP  12  -5.582   4.296   1.630
   88    HA   ASP  12           HA       ASP  12  -7.679   6.282   1.229
   89   1HB   ASP  12          2HB       ASP  12  -7.790   5.511   3.591
   90   2HB   ASP  12          1HB       ASP  12  -6.146   6.102   3.811
   91    H    SER  13           H        SER  13  -7.295   8.175   0.502
   92    HA   SER  13           HA       SER  13  -4.523   8.556  -0.500
   93   1HB   SER  13          2HB       SER  13  -7.055   9.940  -1.364
   94   2HB   SER  13          1HB       SER  13  -5.499   9.902  -2.197
   95    HG   SER  13           HG       SER  13  -7.520   8.048  -2.029
   96    H    GLY  14           H        GLY  14  -6.594   9.729   1.871
   97   1HA   GLY  14          2HA       GLY  14  -6.435  11.586   3.244
   98   2HA   GLY  14          1HA       GLY  14  -4.835  11.885   2.559
   99    H    SER  15           H        SER  15  -7.008  14.152   2.967
  100    HA   SER  15           HA       SER  15  -7.017  14.646   0.241
  101   1HB   SER  15          2HB       SER  15  -9.332  14.314   1.202
  102   2HB   SER  15          1HB       SER  15  -8.986  15.576   2.380
  103    HG   SER  15           HG       SER  15  -8.751  16.998   0.614
  104    H    GLY  16           H        GLY  16  -4.685  15.091   1.439
  105   1HA   GLY  16          2HA       GLY  16  -4.489  17.610   2.645
  106   2HA   GLY  16          1HA       GLY  16  -3.200  16.554   2.112
  107    H    THR  17           H        THR  17  -2.466  18.848   1.729
  108    HA   THR  17           HA       THR  17  -3.492  20.030  -0.761
  109    HB   THR  17           HB       THR  17  -1.504  21.177   1.194
  110    HG1  THR  17           1HG      THR  17  -3.898  22.250   1.559
  111   1HG2  THR  17          1HG2      THR  17  -3.457  22.425  -0.757
  112   2HG2  THR  17          2HG2      THR  17  -1.716  22.292  -0.998
  113   3HG2  THR  17          3HG2      THR  17  -2.357  23.307   0.299
  114    H    LYS  18           H        LYS  18  -0.922  17.861   0.016
  115    HA   LYS  18           HA       LYS  18   1.041  18.913  -1.924
  116   1HB   LYS  18          2HB       LYS  18   1.632  18.746   0.571
  117   2HB   LYS  18          1HB       LYS  18   1.160  17.067   0.488
  118   1HG   LYS  18          2HG       LYS  18   3.487  17.084   0.394
  119   2HG   LYS  18          1HG       LYS  18   2.961  16.797  -1.261
  120   1HD   LYS  18          2HD       LYS  18   3.365  19.119  -1.820
  121   2HD   LYS  18          1HD       LYS  18   3.800  19.466  -0.141
  122   1HE   LYS  18          2HE       LYS  18   5.243  17.597  -2.018
  123   2HE   LYS  18          1HE       LYS  18   5.805  19.182  -1.484
  124   1HZ   LYS  18          1HZ       LYS  18   5.335  16.846   0.299
  125   2HZ   LYS  18          2HZ       LYS  18   5.943  18.353   0.773
  126   3HZ   LYS  18          3HZ       LYS  18   6.848  17.341  -0.229
  127    H    ALA  19           H        ALA  19   1.998  17.139  -3.163
  128    HA   ALA  19           HA       ALA  19   0.273  14.714  -3.321
  129   1HB   ALA  19          1HB       ALA  19   1.878  16.012  -5.545
  130   2HB   ALA  19          2HB       ALA  19   0.121  16.109  -5.383
  131   3HB   ALA  19          3HB       ALA  19   0.893  14.556  -5.687
  132    H    GLU  20           H        GLU  20   1.227  12.767  -3.078
  133    HA   GLU  20           HA       GLU  20   4.156  12.678  -3.079
  134   1HB   GLU  20          2HB       GLU  20   3.358  13.327  -0.828
  135   2HB   GLU  20          1HB       GLU  20   2.446  11.830  -0.745
  136   1HG   GLU  20          2HG       GLU  20   4.513  11.667   0.457
  137   2HG   GLU  20          1HG       GLU  20   4.503  10.568  -0.932
  138    H    LYS  21           H        LYS  21   4.866  10.650  -3.743
  139    HA   LYS  21           HA       LYS  21   2.880   8.732  -4.848
  140   1HB   LYS  21          2HB       LYS  21   4.785   9.795  -6.207
  141   2HB   LYS  21          1HB       LYS  21   5.888   8.980  -5.127
  142   1HG   LYS  21          2HG       LYS  21   3.884   7.528  -6.847
  143   2HG   LYS  21          1HG       LYS  21   5.491   7.944  -7.396
  144   1HD   LYS  21          2HD       LYS  21   4.914   6.180  -5.006
  145   2HD   LYS  21          1HD       LYS  21   5.187   5.570  -6.629
  146   1HE   LYS  21          2HE       LYS  21   7.260   5.319  -5.612
  147   2HE   LYS  21          1HE       LYS  21   7.438   6.828  -6.491
  148   1HZ   LYS  21          1HZ       LYS  21   8.346   6.946  -4.213
  149   2HZ   LYS  21          2HZ       LYS  21   6.833   6.588  -3.591
  150   3HZ   LYS  21          3HZ       LYS  21   7.090   8.043  -4.391
  151    H    ARG  22           H        ARG  22   2.142   7.288  -3.236
  152    HA   ARG  22           HA       ARG  22   4.370   6.062  -1.932
  153   1HB   ARG  22          2HB       ARG  22   1.484   6.267  -1.110
  154   2HB   ARG  22          1HB       ARG  22   2.763   5.495  -0.202
  155   1HG   ARG  22          2HG       ARG  22   2.684   8.417  -0.895
  156   2HG   ARG  22          1HG       ARG  22   2.120   7.731   0.626
  157   1HD   ARG  22          2HD       ARG  22   4.393   6.891   1.048
  158   2HD   ARG  22          1HD       ARG  22   4.935   7.646  -0.454
  159    HE   ARG  22           HE       ARG  22   3.850   9.710   0.736
  160   1HH1  ARG  22          1HH1      ARG  22   5.961   7.299   2.177
  161   2HH1  ARG  22          2HH1      ARG  22   6.708   8.382   3.272
  162   1HH2  ARG  22          1HH2      ARG  22   4.845  11.215   2.281
  163   2HH2  ARG  22          2HH2      ARG  22   6.051  10.630   3.314
  164    H    ILE  23           H        ILE  23   3.432   3.492  -1.290
  165    HA   ILE  23           HA       ILE  23   1.594   2.710  -3.422
  166    HB   ILE  23           HB       ILE  23   3.949   2.210  -4.247
  167   1HG1  ILE  23          2HG1      ILE  23   2.438  -0.330  -3.630
  168   2HG1  ILE  23          1HG1      ILE  23   2.025   0.783  -4.931
  169   1HG2  ILE  23          1HG2      ILE  23   5.026   1.733  -2.068
  170   2HG2  ILE  23          2HG2      ILE  23   5.219   0.398  -3.229
  171   3HG2  ILE  23          3HG2      ILE  23   4.032   0.265  -1.953
  172   1HD1  ILE  23          1HD1      ILE  23   4.188   0.380  -5.974
  173   2HD1  ILE  23          2HD1      ILE  23   3.297  -1.131  -5.744
  174   3HD1  ILE  23          3HD1      ILE  23   4.627  -0.711  -4.662
  175    H    TYR  24           H        TYR  24   0.268   0.925  -2.862
  176    HA   TYR  24           HA       TYR  24   0.832  -0.363  -0.373
  177   1HB   TYR  24          2HB       TYR  24  -1.526  -0.109   0.499
  178   2HB   TYR  24          1HB       TYR  24  -0.551   1.345   0.544
  179    HD1  TYR  24           1HD      TYR  24  -2.037   0.430  -2.684
  180    HD2  TYR  24           2HD      TYR  24  -2.644   2.550   0.943
  181    HE1  TYR  24           1HE      TYR  24  -3.890   1.659  -3.720
  182    HE2  TYR  24           2HE      TYR  24  -4.489   3.783  -0.082
  183    HH   TYR  24           HH       TYR  24  -5.818   2.906  -3.142
  184    H    TYR  25           H        TYR  25  -1.127  -2.203   0.012
  185    HA   TYR  25           HA       TYR  25  -0.863  -3.716  -2.230
  186   1HB   TYR  25          2HB       TYR  25  -0.550  -4.518  -0.048
  187   2HB   TYR  25          1HB       TYR  25  -2.157  -4.035   0.439
  188    HD1  TYR  25           1HD      TYR  25  -3.907  -5.561   0.329
  189    HD2  TYR  25           2HD      TYR  25  -0.322  -6.436  -1.767
  190    HE1  TYR  25           1HE      TYR  25  -4.691  -7.842  -0.023
  191    HE2  TYR  25           2HE      TYR  25  -1.110  -8.747  -2.136
  192    HH   TYR  25           HH       TYR  25  -2.710 -10.348  -0.968
  193    H    ASN  26           H        ASN  26  -2.689  -4.202  -3.711
  194    HA   ASN  26           HA       ASN  26  -5.419  -3.320  -2.928
  195   1HB   ASN  26          2HB       ASN  26  -4.663  -2.627  -5.245
  196   2HB   ASN  26          1HB       ASN  26  -4.463  -4.343  -5.625
  197   1HD2  ASN  26          1HD2      ASN  26  -6.729  -1.782  -4.973
  198   2HD2  ASN  26          2HD2      ASN  26  -8.136  -2.632  -5.483
  199    H    SER  27           H        SER  27  -6.678  -4.512  -2.272
  200    HA   SER  27           HA       SER  27  -5.787  -6.993  -1.618
  201   1HB   SER  27          2HB       SER  27  -8.528  -5.867  -1.105
  202   2HB   SER  27          1HB       SER  27  -7.989  -7.403  -0.428
  203    HG   SER  27           HG       SER  27  -6.761  -4.860  -0.041
  204    H    ALA  28           H        ALA  28  -8.164  -6.033  -3.998
  205    HA   ALA  28           HA       ALA  28  -9.248  -8.611  -4.469
  206   1HB   ALA  28          1HB       ALA  28  -9.321  -6.120  -6.162
  207   2HB   ALA  28          2HB       ALA  28 -10.507  -6.599  -4.950
  208   3HB   ALA  28          3HB       ALA  28 -10.301  -7.564  -6.417
  209    H    ARG  29           H        ARG  29  -6.872  -6.584  -5.939
  210    HA   ARG  29           HA       ARG  29  -6.258  -8.427  -8.121
  211   1HB   ARG  29          2HB       ARG  29  -4.943  -5.809  -7.408
  212   2HB   ARG  29          1HB       ARG  29  -4.258  -6.879  -8.612
  213   1HG   ARG  29          2HG       ARG  29  -5.492  -5.136  -9.706
  214   2HG   ARG  29          1HG       ARG  29  -6.338  -6.663  -9.937
  215   1HD   ARG  29          2HD       ARG  29  -7.961  -6.079  -8.303
  216   2HD   ARG  29          1HD       ARG  29  -7.026  -4.675  -7.797
  217    HE   ARG  29           HE       ARG  29  -7.648  -4.438 -10.516
  218   1HH1  ARG  29          1HH1      ARG  29  -9.105  -4.265  -7.336
  219   2HH1  ARG  29          2HH1      ARG  29 -10.401  -3.249  -7.753
  220   1HH2  ARG  29          1HH2      ARG  29  -9.450  -3.022 -11.205
  221   2HH2  ARG  29          2HH2      ARG  29 -10.580  -2.514 -10.035
  222    H    LYS  30           H        LYS  30  -5.368  -8.228  -5.010
  223    HA   LYS  30           HA       LYS  30  -3.649  -8.882  -3.613
  224   1HB   LYS  30          2HB       LYS  30  -4.448 -11.095  -4.501
  225   2HB   LYS  30          1HB       LYS  30  -3.241 -10.999  -5.774
  226   1HG   LYS  30          2HG       LYS  30  -1.513 -10.902  -3.890
  227   2HG   LYS  30          1HG       LYS  30  -2.825 -11.382  -2.821
  228   1HD   LYS  30          2HD       LYS  30  -3.169 -13.396  -4.155
  229   2HD   LYS  30          1HD       LYS  30  -1.867 -12.902  -5.241
  230   1HE   LYS  30          2HE       LYS  30  -0.351 -12.879  -3.227
  231   2HE   LYS  30          1HE       LYS  30  -1.662 -13.644  -2.328
  232   1HZ   LYS  30          1HZ       LYS  30  -1.613 -15.457  -3.989
  233   2HZ   LYS  30          2HZ       LYS  30  -0.143 -15.306  -3.143
  234   3HZ   LYS  30          3HZ       LYS  30  -0.278 -14.723  -4.715
  235    H    GLN  31           H        GLN  31  -2.987  -7.005  -5.245
  236    HA   GLN  31           HA       GLN  31   0.076  -7.041  -5.560
  237   1HB   GLN  31          2HB       GLN  31   0.199  -6.413  -7.765
  238   2HB   GLN  31          1HB       GLN  31  -0.984  -7.707  -7.751
  239   1HG   GLN  31          2HG       GLN  31  -2.766  -5.998  -7.850
  240   2HG   GLN  31          1HG       GLN  31  -1.515  -4.760  -7.981
  241   1HE2  GLN  31          1HE2      GLN  31  -3.531  -5.378  -9.875
  242   2HE2  GLN  31          2HE2      GLN  31  -2.774  -5.903 -11.324
  243    H    CYS  32           H        CYS  32   1.406  -5.167  -5.562
  244    HA   CYS  32           HA       CYS  32   0.261  -3.259  -3.942
  245   1HB   CYS  32          2HB       CYS  32   2.884  -3.633  -5.340
  246   2HB   CYS  32          1HB       CYS  32   2.514  -2.348  -4.211
  247    H    LEU  33           H        LEU  33  -0.257  -1.160  -4.639
  248    HA   LEU  33           HA       LEU  33   0.444  -0.308  -7.353
  249   1HB   LEU  33          2HB       LEU  33  -1.746   0.215  -8.011
  250   2HB   LEU  33          1HB       LEU  33  -1.823  -1.422  -7.419
  251    HG   LEU  33           HG       LEU  33  -2.787   1.036  -5.943
  252   1HD1  LEU  33          1HD1      LEU  33  -4.152   0.543  -7.868
  253   2HD1  LEU  33          2HD1      LEU  33  -5.023   0.149  -6.383
  254   3HD1  LEU  33          3HD1      LEU  33  -4.310  -1.137  -7.356
  255   1HD2  LEU  33          1HD2      LEU  33  -2.110  -0.639  -4.361
  256   2HD2  LEU  33          2HD2      LEU  33  -2.945  -1.888  -5.259
  257   3HD2  LEU  33          3HD2      LEU  33  -3.877  -0.625  -4.435
  258    H    ARG  34           H        ARG  34   0.577   1.696  -7.635
  259    HA   ARG  34           HA       ARG  34   1.136   3.379  -5.405
  260   1HB   ARG  34          2HB       ARG  34   2.496   3.203  -7.485
  261   2HB   ARG  34          1HB       ARG  34   1.153   3.820  -8.403
  262   1HG   ARG  34          2HG       ARG  34   2.649   5.416  -6.312
  263   2HG   ARG  34          1HG       ARG  34   3.080   5.392  -8.006
  264   1HD   ARG  34          2HD       ARG  34   0.531   6.131  -8.286
  265   2HD   ARG  34          1HD       ARG  34   0.772   6.669  -6.624
  266    HE   ARG  34           HE       ARG  34   2.629   7.490  -8.738
  267   1HH1  ARG  34          1HH1      ARG  34   0.385   8.429  -6.158
  268   2HH1  ARG  34          2HH1      ARG  34   0.566  10.103  -6.407
  269   1HH2  ARG  34          1HH2      ARG  34   2.970   9.794  -8.988
  270   2HH2  ARG  34          2HH2      ARG  34   2.091  10.897  -8.021
  271    H    PHE  35           H        PHE  35   0.075   5.048  -4.897
  272    HA   PHE  35           HA       PHE  35  -2.358   5.371  -6.139
  273   1HB   PHE  35          2HB       PHE  35  -3.637   5.912  -3.940
  274   2HB   PHE  35          1HB       PHE  35  -3.031   4.291  -4.198
  275    HD1  PHE  35           1HD      PHE  35  -3.372   6.885  -1.908
  276    HD2  PHE  35           2HD      PHE  35  -0.609   3.875  -3.104
  277    HE1  PHE  35           1HE      PHE  35  -2.338   6.946   0.316
  278    HE2  PHE  35           2HE      PHE  35   0.428   3.944  -0.883
  279    HZ   PHE  35           HZ       PHE  35  -0.442   5.476   0.835
  280    H    ASP  36           H        ASP  36  -3.226   8.046  -5.154
  281    HA   ASP  36           HA       ASP  36  -0.712   9.427  -5.037
  282   1HB   ASP  36          2HB       ASP  36  -2.407   9.870  -6.926
  283   2HB   ASP  36          1HB       ASP  36  -3.331  10.738  -5.702
  284    H    TYR  37           H        TYR  37  -0.381   9.210  -2.954
  285    HA   TYR  37           HA       TYR  37  -2.290   9.878  -0.898
  286   1HB   TYR  37          2HB       TYR  37  -0.543   8.143  -0.673
  287   2HB   TYR  37          1HB       TYR  37   0.691   9.363  -0.868
  288    HD1  TYR  37           1HD      TYR  37   1.446  10.635   1.008
  289    HD2  TYR  37           2HD      TYR  37  -2.064   8.263   1.357
  290    HE1  TYR  37           1HE      TYR  37   1.412  11.046   3.424
  291    HE2  TYR  37           2HE      TYR  37  -2.103   8.668   3.772
  292    HH   TYR  37           HH       TYR  37  -0.275  11.063   5.223
  293    H    THR  38           H        THR  38  -2.378  11.983   0.185
  294    HA   THR  38           HA       THR  38  -0.850  13.765  -1.436
  295    HB   THR  38           HB       THR  38  -2.424  15.399  -0.302
  296    HG1  THR  38           1HG      THR  38  -4.044  13.147   0.113
  297   1HG2  THR  38          1HG2      THR  38  -2.640  14.590  -2.633
  298   2HG2  THR  38          2HG2      THR  38  -4.214  14.781  -1.864
  299   3HG2  THR  38          3HG2      THR  38  -3.516  13.173  -2.052
  300    H    GLY  39           H        GLY  39  -1.272  13.374   2.155
  301   1HA   GLY  39          2HA       GLY  39   1.023  13.305   3.241
  302   2HA   GLY  39          1HA       GLY  39   1.351  14.736   2.287
  303    H    GLN  40           H        GLN  40  -1.878  15.060   3.298
  304    HA   GLN  40           HA       GLN  40  -1.175  15.757   5.954
  305   1HB   GLN  40          2HB       GLN  40  -1.229  17.800   4.526
  306   2HB   GLN  40          1HB       GLN  40  -2.807  17.329   3.928
  307   1HG   GLN  40          2HG       GLN  40  -3.069  19.081   5.521
  308   2HG   GLN  40          1HG       GLN  40  -3.721  17.591   6.186
  309   1HE2  GLN  40          1HE2      GLN  40  -2.733  20.056   7.480
  310   2HE2  GLN  40          2HE2      GLN  40  -1.549  19.531   8.618
  311    H    GLY  41           H        GLY  41  -2.718  14.237   7.094
  312   1HA   GLY  41          2HA       GLY  41  -4.943  13.724   7.518
  313   2HA   GLY  41          1HA       GLY  41  -5.384  14.458   5.993
  314    H    GLY  42           H        GLY  42  -3.205  11.683   6.726
  315   1HA   GLY  42          2HA       GLY  42  -4.848  10.127   4.837
  316   2HA   GLY  42          1HA       GLY  42  -3.094  10.083   4.839
  317    H    ASN  43           H        ASN  43  -2.990   7.782   5.214
  318    HA   ASN  43           HA       ASN  43  -4.092   6.539   7.674
  319   1HB   ASN  43          2HB       ASN  43  -3.753   4.550   6.334
  320   2HB   ASN  43          1HB       ASN  43  -4.927   5.604   5.567
  321   1HD2  ASN  43          1HD2      ASN  43  -4.502   4.399   3.652
  322   2HD2  ASN  43          2HD2      ASN  43  -3.115   4.773   2.684
  323    H    GLU  44           H        GLU  44  -2.873   4.905   8.366
  324    HA   GLU  44           HA       GLU  44   0.004   5.545   8.985
  325   1HB   GLU  44          2HB       GLU  44  -1.827   3.361   9.925
  326   2HB   GLU  44          1HB       GLU  44  -0.233   3.766  10.547
  327   1HG   GLU  44          2HG       GLU  44  -2.704   5.475  10.708
  328   2HG   GLU  44          1HG       GLU  44  -1.948   4.588  12.032
  329    H    ASN  45           H        ASN  45  -1.534   3.613   6.691
  330    HA   ASN  45           HA       ASN  45   0.853   1.917   6.487
  331   1HB   ASN  45          2HB       ASN  45  -1.421   0.961   6.112
  332   2HB   ASN  45          1HB       ASN  45  -1.611   2.025   4.726
  333   1HD2  ASN  45          1HD2      ASN  45  -0.069  -0.792   5.979
  334   2HD2  ASN  45          2HD2      ASN  45   0.501  -1.368   4.458
  335    H    ASN  46           H        ASN  46   2.397   4.190   5.770
  336    HA   ASN  46           HA       ASN  46   2.445   4.303   3.144
  337   1HB   ASN  46          2HB       ASN  46   3.318   5.896   4.689
  338   2HB   ASN  46          1HB       ASN  46   4.328   4.683   5.451
  339   1HD2  ASN  46          1HD2      ASN  46   6.226   5.520   5.165
  340   2HD2  ASN  46          2HD2      ASN  46   7.018   5.867   3.688
  341    H    PHE  47           H        PHE  47   3.446   3.125   1.631
  342    HA   PHE  47           HA       PHE  47   5.740   1.626   2.454
  343   1HB   PHE  47          2HB       PHE  47   3.885   0.911   0.164
  344   2HB   PHE  47          1HB       PHE  47   5.439   0.134   0.437
  345    HD1  PHE  47           1HD      PHE  47   2.093  -0.267   0.835
  346    HD2  PHE  47           2HD      PHE  47   5.682  -0.625   3.057
  347    HE1  PHE  47           1HE      PHE  47   0.984  -1.847   2.348
  348    HE2  PHE  47           2HE      PHE  47   4.590  -2.205   4.586
  349    HZ   PHE  47           HZ       PHE  47   2.230  -2.820   4.225
  350    H    ARG  48           H        ARG  48   7.415   2.634   1.531
  351    HA   ARG  48           HA       ARG  48   7.132   4.594  -0.835
  352   1HB   ARG  48          2HB       ARG  48   7.907   5.529   1.393
  353   2HB   ARG  48          1HB       ARG  48   9.355   4.541   1.164
  354   1HG   ARG  48          2HG       ARG  48  10.190   5.947  -0.371
  355   2HG   ARG  48          1HG       ARG  48   8.671   5.982  -1.261
  356   1HD   ARG  48          2HD       ARG  48   9.024   8.245  -0.628
  357   2HD   ARG  48          1HD       ARG  48   7.856   7.684   0.483
  358    HE   ARG  48           HE       ARG  48  10.281   7.130   1.679
  359   1HH1  ARG  48          1HH1      ARG  48   8.594  10.047   0.572
  360   2HH1  ARG  48          2HH1      ARG  48   9.335  11.089   1.702
  361   1HH2  ARG  48          1HH2      ARG  48  11.361   8.578   3.194
  362   2HH2  ARG  48          2HH2      ARG  48  10.924  10.217   3.266
  363    H    ARG  49           H        ARG  49   8.155   1.374  -0.222
  364    HA   ARG  49           HA       ARG  49   9.754   1.668  -2.550
  365   1HB   ARG  49          2HB       ARG  49  11.235   1.628  -0.639
  366   2HB   ARG  49          1HB       ARG  49  10.398   0.251   0.043
  367   1HG   ARG  49          2HG       ARG  49  12.458  -0.515  -0.795
  368   2HG   ARG  49          1HG       ARG  49  11.215  -1.087  -1.902
  369   1HD   ARG  49          2HD       ARG  49  11.750   0.773  -3.421
  370   2HD   ARG  49          1HD       ARG  49  13.025   1.289  -2.318
  371    HE   ARG  49           HE       ARG  49  13.351  -1.426  -2.945
  372   1HH1  ARG  49          1HH1      ARG  49  14.006   1.798  -4.230
  373   2HH1  ARG  49          2HH1      ARG  49  15.058   1.257  -5.456
  374   1HH2  ARG  49          1HH2      ARG  49  14.830  -2.172  -4.587
  375   2HH2  ARG  49          2HH2      ARG  49  15.560  -1.065  -5.658
  376    H    THR  50           H        THR  50   9.470  -0.281  -3.880
  377    HA   THR  50           HA       THR  50   6.969  -1.521  -3.589
  378    HB   THR  50           HB       THR  50   9.123  -2.228  -5.592
  379    HG1  THR  50           1HG      THR  50   8.879  -0.141  -5.907
  380   1HG2  THR  50          1HG2      THR  50   7.192  -2.774  -7.034
  381   2HG2  THR  50          2HG2      THR  50   6.093  -2.387  -5.708
  382   3HG2  THR  50          3HG2      THR  50   7.188  -3.762  -5.575
  383    H    TYR  51           H        TYR  51  10.230  -2.793  -2.885
  384    HA   TYR  51           HA       TYR  51   9.231  -5.468  -2.588
  385   1HB   TYR  51          2HB       TYR  51  11.623  -5.163  -2.993
  386   2HB   TYR  51          1HB       TYR  51  11.788  -4.236  -1.506
  387    HD1  TYR  51           1HD      TYR  51  12.724  -5.367   0.282
  388    HD2  TYR  51           2HD      TYR  51  10.448  -7.575  -2.545
  389    HE1  TYR  51           1HE      TYR  51  13.145  -7.428   1.553
  390    HE2  TYR  51           2HE      TYR  51  10.869  -9.639  -1.289
  391    HH   TYR  51           HH       TYR  51  12.371 -10.535   0.296
  392    H    ASP  52           H        ASP  52   9.514  -2.744  -0.486
  393    HA   ASP  52           HA       ASP  52   8.977  -4.030   2.001
  394   1HB   ASP  52          2HB       ASP  52   8.121  -1.287   1.024
  395   2HB   ASP  52          1HB       ASP  52   7.944  -1.840   2.679
  396    H    CYS  53           H        CYS  53   6.612  -2.685  -0.258
  397    HA   CYS  53           HA       CYS  53   4.326  -3.539   1.206
  398   1HB   CYS  53          2HB       CYS  53   3.029  -3.125  -0.706
  399   2HB   CYS  53          1HB       CYS  53   4.297  -1.916  -0.656
  400    H    GLN  54           H        GLN  54   5.864  -4.825  -1.301
  401    HA   GLN  54           HA       GLN  54   4.736  -7.415  -1.791
  402   1HB   GLN  54          2HB       GLN  54   6.144  -6.646  -3.429
  403   2HB   GLN  54          1HB       GLN  54   7.577  -6.609  -2.375
  404   1HG   GLN  54          2HG       GLN  54   7.418  -9.097  -2.331
  405   2HG   GLN  54          1HG       GLN  54   6.093  -8.968  -3.492
  406   1HE2  GLN  54          1HE2      GLN  54   6.558  -8.302  -5.613
  407   2HE2  GLN  54          2HE2      GLN  54   8.171  -8.365  -6.223
  408    H    ARG  55           H        ARG  55   7.416  -6.762   0.223
  409    HA   ARG  55           HA       ARG  55   7.781  -9.466   1.270
  410   1HB   ARG  55          2HB       ARG  55   9.519  -7.634   1.314
  411   2HB   ARG  55          1HB       ARG  55   8.525  -6.813   2.505
  412   1HG   ARG  55          2HG       ARG  55   8.828  -8.729   4.015
  413   2HG   ARG  55          1HG       ARG  55   9.895  -9.467   2.813
  414   1HD   ARG  55          2HD       ARG  55  11.286  -7.436   2.867
  415   2HD   ARG  55          1HD       ARG  55  10.280  -6.816   4.171
  416    HE   ARG  55           HE       ARG  55  11.517  -9.398   4.568
  417   1HH1  ARG  55          1HH1      ARG  55  11.405  -5.964   5.375
  418   2HH1  ARG  55          2HH1      ARG  55  12.722  -6.020   6.471
  419   1HH2  ARG  55          1HH2      ARG  55  13.298  -9.485   6.143
  420   2HH2  ARG  55          2HH2      ARG  55  13.784  -8.073   6.952
  421    H    THR  56           H        THR  56   5.931  -6.546   2.545
  422    HA   THR  56           HA       THR  56   5.177  -8.265   4.523
  423    HB   THR  56           HB       THR  56   5.261  -5.927   5.009
  424    HG1  THR  56           1HG      THR  56   2.847  -7.303   5.298
  425   1HG2  THR  56          1HG2      THR  56   4.579  -5.035   2.851
  426   2HG2  THR  56          2HG2      THR  56   3.601  -4.356   4.156
  427   3HG2  THR  56          3HG2      THR  56   2.938  -5.621   3.121
  428    H    CYS  57           H        CYS  57   3.469  -7.423   1.476
  429    HA   CYS  57           HA       CYS  57   1.157  -8.886   2.497
  430   1HB   CYS  57          2HB       CYS  57   1.311  -6.970   0.188
  431   2HB   CYS  57          1HB       CYS  57  -0.130  -7.777   0.791
  432    H    LEU  58           H        LEU  58   3.633  -9.368   0.254
  433    HA   LEU  58           HA       LEU  58   1.936 -11.201  -1.189
  434   1HB   LEU  58          2HB       LEU  58   3.159  -9.559  -2.504
  435   2HB   LEU  58          1HB       LEU  58   4.679 -10.185  -1.907
  436    HG   LEU  58           HG       LEU  58   4.224 -12.327  -3.068
  437   1HD1  LEU  58          1HD1      LEU  58   1.826 -10.864  -4.175
  438   2HD1  LEU  58          2HD1      LEU  58   1.786 -12.244  -3.077
  439   3HD1  LEU  58          3HD1      LEU  58   2.413 -12.435  -4.715
  440   1HD2  LEU  58          1HD2      LEU  58   5.554 -10.615  -4.156
  441   2HD2  LEU  58          2HD2      LEU  58   4.100  -9.867  -4.810
  442   3HD2  LEU  58          3HD2      LEU  58   4.577 -11.479  -5.341
  443    H    TYR  59           H        TYR  59   4.567 -11.106   1.050
  444    HA   TYR  59           HA       TYR  59   5.145 -13.855   0.520
  445   1HB   TYR  59          2HB       TYR  59   6.732 -11.813   2.073
  446   2HB   TYR  59          1HB       TYR  59   7.122 -13.532   2.091
  447    HD1  TYR  59           1HD      TYR  59   7.569 -14.665  -0.114
  448    HD2  TYR  59           2HD      TYR  59   7.513 -10.442   0.309
  449    HE1  TYR  59           1HE      TYR  59   8.827 -14.450  -2.204
  450    HE2  TYR  59           2HE      TYR  59   8.774 -10.212  -1.788
  451    HH   TYR  59           HH       TYR  59   9.099 -12.788  -3.926
  452    H    THR  60           H        THR  60   3.189 -14.691   1.504
  453    HA   THR  60           HA       THR  60   3.177 -14.769   4.299
  454    HB   THR  60           HB       THR  60   1.835 -12.754   4.003
  455    HG1  THR  60           1HG      THR  60   0.910 -14.222   5.435
  456   1HG2  THR  60          1HG2      THR  60   0.267 -14.226   1.881
  457   2HG2  THR  60          2HG2      THR  60   1.391 -12.897   1.613
  458   3HG2  THR  60          3HG2      THR  60  -0.107 -12.619   2.501
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1   2.727 -16.285  10.019
    2   2H    LYS   1          2HT       LYS   1   1.046 -16.231   9.943
    3   3H    LYS   1          3HT       LYS   1   1.913 -14.866   9.548
    4    HA   LYS   1           HA       LYS   1   2.826 -15.972   7.615
    5   1HB   LYS   1          2HB       LYS   1   2.741 -18.290   8.644
    6   2HB   LYS   1          1HB       LYS   1   1.003 -18.262   8.505
    7   1HG   LYS   1          2HG       LYS   1   2.870 -18.205   6.122
    8   2HG   LYS   1          1HG       LYS   1   2.247 -19.686   6.839
    9   1HD   LYS   1          2HD       LYS   1  -0.071 -18.797   6.377
   10   2HD   LYS   1          1HD       LYS   1   0.690 -17.485   5.481
   11   1HE   LYS   1          2HE       LYS   1   0.924 -20.438   4.872
   12   2HE   LYS   1          1HE       LYS   1  -0.046 -19.269   3.985
   13   1HZ   LYS   1          1HZ       LYS   1   2.932 -19.272   4.177
   14   2HZ   LYS   1          2HZ       LYS   1   2.013 -18.105   3.405
   15   3HZ   LYS   1          3HZ       LYS   1   2.002 -19.690   2.825
   16    H    ASP   2           H        ASP   2  -0.494 -15.871   8.857
   17    HA   ASP   2           HA       ASP   2  -1.577 -15.239   6.296
   18   1HB   ASP   2          2HB       ASP   2  -3.027 -16.081   8.166
   19   2HB   ASP   2          1HB       ASP   2  -2.682 -14.613   9.070
   20    H    ARG   3           H        ARG   3  -2.530 -13.170   5.705
   21    HA   ARG   3           HA       ARG   3  -0.529 -11.259   5.352
   22   1HB   ARG   3          2HB       ARG   3  -3.493 -10.796   5.154
   23   2HB   ARG   3          1HB       ARG   3  -2.210 -10.059   4.211
   24   1HG   ARG   3          2HG       ARG   3  -2.265 -11.687   2.683
   25   2HG   ARG   3          1HG       ARG   3  -2.370 -12.959   3.913
   26   1HD   ARG   3          2HD       ARG   3  -4.640 -11.210   2.950
   27   2HD   ARG   3          1HD       ARG   3  -4.421 -12.930   2.599
   28    HE   ARG   3           HE       ARG   3  -4.567 -13.263   5.086
   29   1HH1  ARG   3          1HH1      ARG   3  -6.452 -10.739   3.452
   30   2HH1  ARG   3          2HH1      ARG   3  -7.421 -10.411   4.783
   31   1HH2  ARG   3          1HH2      ARG   3  -5.844 -12.793   6.919
   32   2HH2  ARG   3          2HH2      ARG   3  -7.066 -11.597   6.853
   33    HA   PRO   4           HA       PRO   4  -1.140  -8.842   9.223
   34   1HB   PRO   4          2HB       PRO   4   0.064  -6.769   7.450
   35   2HB   PRO   4          1HB       PRO   4   0.565  -7.265   9.072
   36   1HG   PRO   4          2HG       PRO   4   2.005  -7.958   6.966
   37   2HG   PRO   4          1HG       PRO   4   1.735  -9.111   8.287
   38   1HD   PRO   4          2HD       PRO   4   0.437  -8.971   5.595
   39   2HD   PRO   4          1HD       PRO   4   0.973 -10.391   6.518
   40    H    SER   5           H        SER   5  -2.924  -7.599   9.702
   41    HA   SER   5           HA       SER   5  -4.916  -7.303   7.905
   42   1HB   SER   5          2HB       SER   5  -4.616  -5.910  10.541
   43   2HB   SER   5          1HB       SER   5  -6.132  -6.148   9.662
   44    HG   SER   5           HG       SER   5  -6.156  -8.174  10.188
   45    H    LEU   6           H        LEU   6  -2.264  -5.241   7.865
   46    HA   LEU   6           HA       LEU   6  -3.733  -2.791   7.411
   47   1HB   LEU   6          2HB       LEU   6  -1.734  -1.645   7.363
   48   2HB   LEU   6          1HB       LEU   6  -1.395  -2.937   8.485
   49    HG   LEU   6           HG       LEU   6  -0.489  -2.852   5.598
   50   1HD1  LEU   6          1HD1      LEU   6   0.590  -1.146   6.914
   51   2HD1  LEU   6          2HD1      LEU   6   1.730  -2.438   6.528
   52   3HD1  LEU   6          3HD1      LEU   6   1.020  -2.335   8.142
   53   1HD2  LEU   6          1HD2      LEU   6  -0.728  -5.136   6.448
   54   2HD2  LEU   6          2HD2      LEU   6   0.292  -4.724   7.826
   55   3HD2  LEU   6          3HD2      LEU   6   0.962  -4.708   6.195
   56    H    CYS   7           H        CYS   7  -2.993  -5.429   5.562
   57    HA   CYS   7           HA       CYS   7  -2.548  -4.103   3.077
   58   1HB   CYS   7          2HB       CYS   7  -3.325  -6.957   3.656
   59   2HB   CYS   7          1HB       CYS   7  -2.606  -6.333   2.170
   60    H    ASP   8           H        ASP   8  -5.225  -5.019   4.966
   61    HA   ASP   8           HA       ASP   8  -7.253  -4.789   2.848
   62   1HB   ASP   8          2HB       ASP   8  -7.315  -6.737   4.414
   63   2HB   ASP   8          1HB       ASP   8  -7.491  -5.629   5.765
   64    H    LEU   9           H        LEU   9  -5.751  -2.337   3.790
   65    HA   LEU   9           HA       LEU   9  -7.412  -1.301   5.870
   66   1HB   LEU   9          2HB       LEU   9  -4.831  -1.672   6.229
   67   2HB   LEU   9          1HB       LEU   9  -4.640  -0.441   5.016
   68    HG   LEU   9           HG       LEU   9  -4.286   0.434   7.255
   69   1HD1  LEU   9          1HD1      LEU   9  -5.777   2.339   7.250
   70   2HD1  LEU   9          2HD1      LEU   9  -6.799   1.542   6.057
   71   3HD1  LEU   9          3HD1      LEU   9  -5.142   1.990   5.645
   72   1HD2  LEU   9          1HD2      LEU   9  -7.122  -0.395   7.799
   73   2HD2  LEU   9          2HD2      LEU   9  -6.123   0.588   8.868
   74   3HD2  LEU   9          3HD2      LEU   9  -5.664  -1.081   8.516
   75    HA   PRO  10           HA       PRO  10  -9.031   0.714   2.272
   76   1HB   PRO  10          2HB       PRO  10  -9.115   3.128   3.740
   77   2HB   PRO  10          1HB       PRO  10 -10.456   2.046   3.383
   78   1HG   PRO  10          2HG       PRO  10  -8.852   2.314   5.848
   79   2HG   PRO  10          1HG       PRO  10 -10.507   1.713   5.645
   80   1HD   PRO  10          2HD       PRO  10  -8.477   0.079   6.189
   81   2HD   PRO  10          1HD       PRO  10  -9.796  -0.414   5.101
   82    H    ALA  11           H        ALA  11  -8.221   1.813   0.903
   83    HA   ALA  11           HA       ALA  11  -5.616   3.243   0.910
   84   1HB   ALA  11          1HB       ALA  11  -7.654   2.577  -1.233
   85   2HB   ALA  11          2HB       ALA  11  -6.131   1.733  -0.980
   86   3HB   ALA  11          3HB       ALA  11  -6.129   3.414  -1.516
   87    H    ASP  12           H        ASP  12  -5.901   5.039   1.846
   88    HA   ASP  12           HA       ASP  12  -8.296   6.463   1.081
   89   1HB   ASP  12          2HB       ASP  12  -8.167   6.087   3.586
   90   2HB   ASP  12          1HB       ASP  12  -6.728   7.112   3.597
   91    H    SER  13           H        SER  13  -7.947   8.754   0.414
   92    HA   SER  13           HA       SER  13  -5.287   8.994  -0.854
   93   1HB   SER  13          2HB       SER  13  -7.887  10.470  -1.297
   94   2HB   SER  13          1HB       SER  13  -6.417  10.590  -2.276
   95    HG   SER  13           HG       SER  13  -6.751   8.165  -2.339
   96    H    GLY  14           H        GLY  14  -7.025  10.313   1.727
   97   1HA   GLY  14          2HA       GLY  14  -5.884  11.435   3.372
   98   2HA   GLY  14          1HA       GLY  14  -4.604  11.786   2.221
   99    H    SER  15           H        SER  15  -5.124  13.794   3.626
  100    HA   SER  15           HA       SER  15  -7.232  15.301   2.289
  101   1HB   SER  15          2HB       SER  15  -6.329  15.522   5.149
  102   2HB   SER  15          1HB       SER  15  -7.649  16.408   4.385
  103    HG   SER  15           HG       SER  15  -8.281  13.982   3.879
  104    H    GLY  16           H        GLY  16  -4.179  15.060   1.766
  105   1HA   GLY  16          2HA       GLY  16  -3.106  17.347   3.084
  106   2HA   GLY  16          1HA       GLY  16  -2.263  16.151   2.129
  107    H    THR  17           H        THR  17  -1.629  18.547   1.965
  108    HA   THR  17           HA       THR  17  -2.703  19.741  -0.560
  109    HB   THR  17           HB       THR  17  -2.480  21.196   1.484
  110    HG1  THR  17           1HG      THR  17  -1.845  21.693  -0.994
  111   1HG2  THR  17          1HG2      THR  17   0.479  20.751   1.030
  112   2HG2  THR  17          2HG2      THR  17  -0.444  20.217   2.437
  113   3HG2  THR  17          3HG2      THR  17  -0.214  21.937   2.138
  114    H    LYS  18           H        LYS  18  -0.284  17.522   0.141
  115    HA   LYS  18           HA       LYS  18   1.830  18.558  -1.688
  116   1HB   LYS  18          2HB       LYS  18   2.164  18.115   0.840
  117   2HB   LYS  18          1HB       LYS  18   1.694  16.470   0.477
  118   1HG   LYS  18          2HG       LYS  18   4.030  16.473   0.556
  119   2HG   LYS  18          1HG       LYS  18   3.636  16.432  -1.163
  120   1HD   LYS  18          2HD       LYS  18   5.451  18.017  -0.698
  121   2HD   LYS  18          1HD       LYS  18   4.018  18.851  -1.303
  122   1HE   LYS  18          2HE       LYS  18   5.072  20.043   0.602
  123   2HE   LYS  18          1HE       LYS  18   3.418  19.546   0.946
  124   1HZ   LYS  18          1HZ       LYS  18   4.264  17.691   2.239
  125   2HZ   LYS  18          2HZ       LYS  18   4.943  19.087   2.836
  126   3HZ   LYS  18          3HZ       LYS  18   5.837  18.058   1.822
  127    H    ALA  19           H        ALA  19   2.699  17.002  -2.975
  128    HA   ALA  19           HA       ALA  19   0.966  14.676  -3.628
  129   1HB   ALA  19          1HB       ALA  19   1.053  16.391  -5.439
  130   2HB   ALA  19          2HB       ALA  19   1.801  14.865  -5.909
  131   3HB   ALA  19          3HB       ALA  19   2.809  16.240  -5.451
  132    H    GLU  20           H        GLU  20   1.792  12.801  -3.117
  133    HA   GLU  20           HA       GLU  20   4.633  12.535  -3.316
  134   1HB   GLU  20          2HB       GLU  20   4.160  13.213  -1.033
  135   2HB   GLU  20          1HB       GLU  20   3.057  11.863  -0.839
  136   1HG   GLU  20          2HG       GLU  20   4.884  10.302  -1.043
  137   2HG   GLU  20          1HG       GLU  20   6.010  11.632  -1.337
  138    H    LYS  21           H        LYS  21   5.218  10.461  -3.867
  139    HA   LYS  21           HA       LYS  21   3.116   8.636  -4.916
  140   1HB   LYS  21          2HB       LYS  21   4.932   9.566  -6.388
  141   2HB   LYS  21          1HB       LYS  21   6.115   8.887  -5.299
  142   1HG   LYS  21          2HG       LYS  21   4.142   7.226  -6.876
  143   2HG   LYS  21          1HG       LYS  21   5.735   7.668  -7.475
  144   1HD   LYS  21          2HD       LYS  21   6.683   6.530  -5.417
  145   2HD   LYS  21          1HD       LYS  21   5.055   5.919  -5.115
  146   1HE   LYS  21          2HE       LYS  21   6.259   4.223  -6.275
  147   2HE   LYS  21          1HE       LYS  21   5.109   4.914  -7.416
  148   1HZ   LYS  21          1HZ       LYS  21   8.004   5.485  -7.234
  149   2HZ   LYS  21          2HZ       LYS  21   6.965   6.314  -8.283
  150   3HZ   LYS  21          3HZ       LYS  21   7.225   4.664  -8.485
  151    H    ARG  22           H        ARG  22   2.345   7.202  -3.387
  152    HA   ARG  22           HA       ARG  22   4.445   5.809  -2.023
  153   1HB   ARG  22          2HB       ARG  22   1.624   6.519  -1.382
  154   2HB   ARG  22          1HB       ARG  22   2.597   5.396  -0.456
  155   1HG   ARG  22          2HG       ARG  22   3.331   8.264  -0.933
  156   2HG   ARG  22          1HG       ARG  22   2.435   7.686   0.473
  157   1HD   ARG  22          2HD       ARG  22   4.349   6.092   0.859
  158   2HD   ARG  22          1HD       ARG  22   5.241   7.022  -0.349
  159    HE   ARG  22           HE       ARG  22   4.751   8.997   1.138
  160   1HH1  ARG  22          1HH1      ARG  22   4.968   5.751   2.449
  161   2HH1  ARG  22          2HH1      ARG  22   5.538   6.241   3.978
  162   1HH2  ARG  22          1HH2      ARG  22   5.390   9.702   3.123
  163   2HH2  ARG  22          2HH2      ARG  22   5.814   8.645   4.403
  164    H    ILE  23           H        ILE  23   3.369   3.458  -1.337
  165    HA   ILE  23           HA       ILE  23   1.599   2.639  -3.531
  166    HB   ILE  23           HB       ILE  23   3.963   2.049  -4.195
  167   1HG1  ILE  23          2HG1      ILE  23   2.382  -0.447  -3.574
  168   2HG1  ILE  23          1HG1      ILE  23   2.036   0.631  -4.921
  169   1HG2  ILE  23          1HG2      ILE  23   5.161   0.287  -3.041
  170   2HG2  ILE  23          2HG2      ILE  23   3.892   0.184  -1.848
  171   3HG2  ILE  23          3HG2      ILE  23   4.897   1.651  -1.935
  172   1HD1  ILE  23          1HD1      ILE  23   4.247   0.181  -5.852
  173   2HD1  ILE  23          2HD1      ILE  23   3.321  -1.306  -5.633
  174   3HD1  ILE  23          3HD1      ILE  23   4.604  -0.890  -4.497
  175    H    TYR  24           H        TYR  24   0.138   0.922  -2.966
  176    HA   TYR  24           HA       TYR  24   0.415  -0.056  -0.210
  177   1HB   TYR  24          2HB       TYR  24  -1.939   0.276   0.276
  178   2HB   TYR  24          1HB       TYR  24  -1.263   1.816  -0.206
  179    HD1  TYR  24           1HD      TYR  24  -3.517  -0.920  -1.157
  180    HD2  TYR  24           2HD      TYR  24  -2.135   2.945  -2.187
  181    HE1  TYR  24           1HE      TYR  24  -5.406  -0.681  -2.693
  182    HE2  TYR  24           2HE      TYR  24  -4.037   3.189  -3.748
  183    HH   TYR  24           HH       TYR  24  -5.599   1.907  -4.957
  184    H    TYR  25           H        TYR  25  -1.162  -2.092   0.126
  185    HA   TYR  25           HA       TYR  25  -0.824  -3.701  -2.060
  186   1HB   TYR  25          2HB       TYR  25  -0.504  -4.527   0.092
  187   2HB   TYR  25          1HB       TYR  25  -2.099  -4.008   0.624
  188    HD1  TYR  25           1HD      TYR  25  -0.439  -6.352  -1.781
  189    HD2  TYR  25           2HD      TYR  25  -3.863  -5.510   0.586
  190    HE1  TYR  25           1HE      TYR  25  -1.339  -8.593  -2.271
  191    HE2  TYR  25           2HE      TYR  25  -4.764  -7.729   0.103
  192    HH   TYR  25           HH       TYR  25  -2.897 -10.177  -1.207
  193    H    ASN  26           H        ASN  26  -2.499  -3.488  -3.767
  194    HA   ASN  26           HA       ASN  26  -5.247  -2.883  -2.989
  195   1HB   ASN  26          2HB       ASN  26  -4.284  -2.234  -5.256
  196   2HB   ASN  26          1HB       ASN  26  -4.270  -3.957  -5.638
  197   1HD2  ASN  26          1HD2      ASN  26  -6.249  -1.165  -5.091
  198   2HD2  ASN  26          2HD2      ASN  26  -7.735  -1.853  -5.594
  199    H    SER  27           H        SER  27  -6.590  -4.098  -2.405
  200    HA   SER  27           HA       SER  27  -5.747  -6.651  -1.783
  201   1HB   SER  27          2HB       SER  27  -8.456  -5.471  -1.179
  202   2HB   SER  27          1HB       SER  27  -7.943  -7.042  -0.576
  203    HG   SER  27           HG       SER  27  -6.133  -4.994  -0.122
  204    H    ALA  28           H        ALA  28  -8.132  -5.519  -4.045
  205    HA   ALA  28           HA       ALA  28  -9.405  -8.018  -4.599
  206   1HB   ALA  28          1HB       ALA  28  -9.362  -5.438  -6.152
  207   2HB   ALA  28          2HB       ALA  28 -10.552  -5.910  -4.941
  208   3HB   ALA  28          3HB       ALA  28 -10.442  -6.797  -6.458
  209    H    ARG  29           H        ARG  29  -6.973  -6.016  -6.010
  210    HA   ARG  29           HA       ARG  29  -6.509  -7.868  -8.193
  211   1HB   ARG  29          2HB       ARG  29  -5.159  -5.226  -7.608
  212   2HB   ARG  29          1HB       ARG  29  -4.536  -6.308  -8.842
  213   1HG   ARG  29          2HG       ARG  29  -5.903  -4.681  -9.933
  214   2HG   ARG  29          1HG       ARG  29  -6.770  -6.210  -9.965
  215   1HD   ARG  29          2HD       ARG  29  -8.019  -5.404  -7.922
  216   2HD   ARG  29          1HD       ARG  29  -7.283  -3.829  -8.189
  217    HE   ARG  29           HE       ARG  29  -8.670  -4.914 -10.463
  218   1HH1  ARG  29          1HH1      ARG  29  -8.921  -2.770  -7.645
  219   2HH1  ARG  29          2HH1      ARG  29 -10.411  -2.094  -8.122
  220   1HH2  ARG  29          1HH2      ARG  29 -10.685  -3.998 -11.083
  221   2HH2  ARG  29          2HH2      ARG  29 -11.457  -2.806 -10.153
  222    H    LYS  30           H        LYS  30  -5.595  -7.719  -5.129
  223    HA   LYS  30           HA       LYS  30  -3.939  -8.516  -3.734
  224   1HB   LYS  30          2HB       LYS  30  -5.110 -10.560  -4.563
  225   2HB   LYS  30          1HB       LYS  30  -3.938 -10.697  -5.858
  226   1HG   LYS  30          2HG       LYS  30  -2.191 -11.229  -4.284
  227   2HG   LYS  30          1HG       LYS  30  -3.267 -10.904  -2.922
  228   1HD   LYS  30          2HD       LYS  30  -4.717 -12.746  -3.662
  229   2HD   LYS  30          1HD       LYS  30  -3.594 -13.080  -4.981
  230   1HE   LYS  30          2HE       LYS  30  -1.836 -13.594  -3.383
  231   2HE   LYS  30          1HE       LYS  30  -2.909 -13.190  -2.045
  232   1HZ   LYS  30          1HZ       LYS  30  -2.760 -15.602  -2.437
  233   2HZ   LYS  30          2HZ       LYS  30  -3.422 -15.382  -3.993
  234   3HZ   LYS  30          3HZ       LYS  30  -4.326 -15.006  -2.626
  235    H    GLN  31           H        GLN  31  -3.118  -6.879  -5.320
  236    HA   GLN  31           HA       GLN  31  -0.060  -7.058  -5.644
  237   1HB   GLN  31          2HB       GLN  31   0.035  -6.358  -7.875
  238   2HB   GLN  31          1HB       GLN  31  -1.089  -7.704  -7.837
  239   1HG   GLN  31          2HG       GLN  31  -2.949  -6.048  -7.857
  240   2HG   GLN  31          1HG       GLN  31  -1.740  -4.784  -8.078
  241   1HE2  GLN  31          1HE2      GLN  31  -0.519  -4.772 -10.024
  242   2HE2  GLN  31          2HE2      GLN  31  -1.146  -5.556 -11.437
  243    H    CYS  32           H        CYS  32   1.310  -5.243  -5.445
  244    HA   CYS  32           HA       CYS  32   0.127  -3.315  -3.891
  245   1HB   CYS  32          2HB       CYS  32   2.780  -3.678  -5.227
  246   2HB   CYS  32          1HB       CYS  32   2.387  -2.414  -4.086
  247    H    LEU  33           H        LEU  33  -0.383  -1.225  -4.665
  248    HA   LEU  33           HA       LEU  33   0.656  -0.294  -7.204
  249   1HB   LEU  33          2HB       LEU  33  -1.539   0.323  -8.100
  250   2HB   LEU  33          1HB       LEU  33  -1.321  -1.403  -8.040
  251    HG   LEU  33           HG       LEU  33  -2.809  -1.385  -5.981
  252   1HD1  LEU  33          1HD1      LEU  33  -4.276   0.523  -5.687
  253   2HD1  LEU  33          2HD1      LEU  33  -3.411   1.411  -6.936
  254   3HD1  LEU  33          3HD1      LEU  33  -2.607   0.990  -5.427
  255   1HD2  LEU  33          1HD2      LEU  33  -3.572  -2.112  -8.154
  256   2HD2  LEU  33          2HD2      LEU  33  -3.913  -0.444  -8.613
  257   3HD2  LEU  33          3HD2      LEU  33  -4.840  -1.211  -7.323
  258    H    ARG  34           H        ARG  34   0.696   1.616  -7.585
  259    HA   ARG  34           HA       ARG  34   1.278   3.210  -5.289
  260   1HB   ARG  34          2HB       ARG  34   2.671   3.081  -7.313
  261   2HB   ARG  34          1HB       ARG  34   1.372   3.758  -8.257
  262   1HG   ARG  34          2HG       ARG  34   2.623   5.288  -5.985
  263   2HG   ARG  34          1HG       ARG  34   3.343   5.253  -7.587
  264   1HD   ARG  34          2HD       ARG  34   0.583   6.231  -6.889
  265   2HD   ARG  34          1HD       ARG  34   1.968   7.237  -7.266
  266    HE   ARG  34           HE       ARG  34   1.962   6.016  -9.486
  267   1HH1  ARG  34          1HH1      ARG  34  -0.953   6.647  -7.648
  268   2HH1  ARG  34          2HH1      ARG  34  -2.026   6.671  -8.956
  269   1HH2  ARG  34          1HH2      ARG  34   0.555   6.123 -11.365
  270   2HH2  ARG  34          2HH2      ARG  34  -1.136   6.320 -11.171
  271    H    PHE  35           H        PHE  35   0.352   4.965  -4.702
  272    HA   PHE  35           HA       PHE  35  -2.025   5.379  -5.948
  273   1HB   PHE  35          2HB       PHE  35  -3.364   5.994  -3.817
  274   2HB   PHE  35          1HB       PHE  35  -2.749   4.373  -4.022
  275    HD1  PHE  35           1HD      PHE  35  -0.379   3.965  -2.788
  276    HD2  PHE  35           2HD      PHE  35  -3.196   6.986  -1.782
  277    HE1  PHE  35           1HE      PHE  35   0.499   4.022  -0.496
  278    HE2  PHE  35           2HE      PHE  35  -2.310   7.058   0.501
  279    HZ   PHE  35           HZ       PHE  35  -0.461   5.570   1.152
  280    H    ASP  36           H        ASP  36  -2.847   8.143  -5.119
  281    HA   ASP  36           HA       ASP  36  -0.352   9.439  -4.888
  282   1HB   ASP  36          2HB       ASP  36  -2.873  10.148  -6.230
  283   2HB   ASP  36          1HB       ASP  36  -2.103  11.484  -5.379
  284    H    TYR  37           H        TYR  37  -0.027   9.224  -2.832
  285    HA   TYR  37           HA       TYR  37  -1.886   9.965  -0.756
  286   1HB   TYR  37          2HB       TYR  37  -0.161   8.185  -0.614
  287   2HB   TYR  37          1HB       TYR  37   1.082   9.374  -0.855
  288    HD1  TYR  37           1HD      TYR  37  -1.813   8.822   1.495
  289    HD2  TYR  37           2HD      TYR  37   2.247  10.008   1.051
  290    HE1  TYR  37           1HE      TYR  37  -1.616   9.045   3.940
  291    HE2  TYR  37           2HE      TYR  37   2.449  10.245   3.483
  292    HH   TYR  37           HH       TYR  37   1.154  10.511   5.432
  293    H    THR  38           H        THR  38  -2.077  12.115   0.117
  294    HA   THR  38           HA       THR  38  -0.625  13.954  -1.439
  295    HB   THR  38           HB       THR  38  -2.475  15.467  -0.493
  296    HG1  THR  38           1HG      THR  38  -3.955  13.163  -0.012
  297   1HG2  THR  38          1HG2      THR  38  -2.534  14.506  -2.760
  298   2HG2  THR  38          2HG2      THR  38  -4.144  14.514  -2.039
  299   3HG2  THR  38          3HG2      THR  38  -3.211  13.016  -2.109
  300    H    GLY  39           H        GLY  39   0.701  12.734   0.692
  301   1HA   GLY  39          2HA       GLY  39   2.086  13.148   2.429
  302   2HA   GLY  39          1HA       GLY  39   1.818  14.828   2.059
  303    H    GLN  40           H        GLN  40  -1.274  14.347   3.068
  304    HA   GLN  40           HA       GLN  40  -0.396  14.146   5.756
  305   1HB   GLN  40          2HB       GLN  40  -0.398  16.515   5.254
  306   2HB   GLN  40          1HB       GLN  40  -2.052  16.419   4.662
  307   1HG   GLN  40          2HG       GLN  40  -2.820  15.826   6.892
  308   2HG   GLN  40          1HG       GLN  40  -1.165  15.903   7.488
  309   1HE2  GLN  40          1HE2      GLN  40  -3.559  17.355   8.195
  310   2HE2  GLN  40          2HE2      GLN  40  -3.197  19.039   8.061
  311    H    GLY  41           H        GLY  41  -2.094  12.922   6.985
  312   1HA   GLY  41          2HA       GLY  41  -4.324  12.653   7.522
  313   2HA   GLY  41          1HA       GLY  41  -4.755  13.521   6.068
  314    H    GLY  42           H        GLY  42  -2.883  10.478   6.419
  315   1HA   GLY  42          2HA       GLY  42  -4.727   9.485   4.367
  316   2HA   GLY  42          1HA       GLY  42  -3.048   9.012   4.533
  317    H    ASN  43           H        ASN  43  -3.453   6.899   4.518
  318    HA   ASN  43           HA       ASN  43  -5.015   5.547   6.605
  319   1HB   ASN  43          2HB       ASN  43  -5.270   3.877   4.873
  320   2HB   ASN  43          1HB       ASN  43  -5.906   5.379   4.226
  321   1HD2  ASN  43          1HD2      ASN  43  -4.890   3.022   2.836
  322   2HD2  ASN  43          2HD2      ASN  43  -3.536   3.557   1.876
  323    H    GLU  44           H        GLU  44  -4.021   3.655   7.248
  324    HA   GLU  44           HA       GLU  44  -1.262   3.996   7.760
  325   1HB   GLU  44          2HB       GLU  44  -3.191   1.781   8.379
  326   2HB   GLU  44          1HB       GLU  44  -1.586   1.995   9.074
  327   1HG   GLU  44          2HG       GLU  44  -3.918   3.866   9.385
  328   2HG   GLU  44          1HG       GLU  44  -3.274   2.771  10.608
  329    H    ASN  45           H        ASN  45  -3.112   2.272   5.389
  330    HA   ASN  45           HA       ASN  45  -0.975   0.435   4.622
  331   1HB   ASN  45          2HB       ASN  45  -3.421  -0.172   4.369
  332   2HB   ASN  45          1HB       ASN  45  -3.626   1.206   3.312
  333   1HD2  ASN  45          1HD2      ASN  45  -4.518  -0.357   1.887
  334   2HD2  ASN  45          2HD2      ASN  45  -3.504  -1.324   0.879
  335    H    ASN  46           H        ASN  46   0.593   1.837   4.506
  336    HA   ASN  46           HA       ASN  46   0.712   3.463   2.110
  337   1HB   ASN  46          2HB       ASN  46  -0.024   4.963   3.881
  338   2HB   ASN  46          1HB       ASN  46   1.268   4.396   4.932
  339   1HD2  ASN  46          1HD2      ASN  46   2.044   6.471   5.182
  340   2HD2  ASN  46          2HD2      ASN  46   2.890   7.305   3.924
  341    H    PHE  47           H        PHE  47   2.505   2.699   1.086
  342    HA   PHE  47           HA       PHE  47   4.788   2.106   2.781
  343   1HB   PHE  47          2HB       PHE  47   4.023   0.679   0.216
  344   2HB   PHE  47          1HB       PHE  47   5.457   0.333   1.184
  345    HD1  PHE  47           1HD      PHE  47   2.049  -0.467   0.636
  346    HD2  PHE  47           2HD      PHE  47   5.034  -0.295   3.659
  347    HE1  PHE  47           1HE      PHE  47   0.707  -1.968   2.039
  348    HE2  PHE  47           2HE      PHE  47   3.699  -1.801   5.062
  349    HZ   PHE  47           HZ       PHE  47   1.529  -2.637   4.253
  350    H    ARG  48           H        ARG  48   6.807   2.774   1.860
  351    HA   ARG  48           HA       ARG  48   6.635   4.881  -0.236
  352   1HB   ARG  48          2HB       ARG  48   7.659   5.408   1.998
  353   2HB   ARG  48          1HB       ARG  48   8.883   4.195   1.662
  354   1HG   ARG  48          2HG       ARG  48   9.981   6.114   1.018
  355   2HG   ARG  48          1HG       ARG  48   9.272   5.610  -0.513
  356   1HD   ARG  48          2HD       ARG  48   8.867   7.975  -0.308
  357   2HD   ARG  48          1HD       ARG  48   7.336   7.195   0.011
  358    HE   ARG  48           HE       ARG  48   8.116   7.339   2.454
  359   1HH1  ARG  48          1HH1      ARG  48   8.643   9.853  -0.014
  360   2HH1  ARG  48          2HH1      ARG  48   8.766  11.103   1.150
  361   1HH2  ARG  48          1HH2      ARG  48   8.311   9.030   3.966
  362   2HH2  ARG  48          2HH2      ARG  48   8.648  10.626   3.478
  363    H    ARG  49           H        ARG  49   7.504   1.508   0.124
  364    HA   ARG  49           HA       ARG  49   9.117   1.787  -2.213
  365   1HB   ARG  49          2HB       ARG  49  10.549   1.872  -0.210
  366   2HB   ARG  49          1HB       ARG  49   9.872   0.358   0.342
  367   1HG   ARG  49          2HG       ARG  49  10.834  -0.737  -1.657
  368   2HG   ARG  49          1HG       ARG  49  11.609   0.797  -2.067
  369   1HD   ARG  49          2HD       ARG  49  12.015  -0.795   0.461
  370   2HD   ARG  49          1HD       ARG  49  13.153  -0.653  -0.875
  371    HE   ARG  49           HE       ARG  49  13.357   1.727  -0.297
  372   1HH1  ARG  49          1HH1      ARG  49  11.727  -0.230   2.171
  373   2HH1  ARG  49          2HH1      ARG  49  12.497   0.489   3.494
  374   1HH2  ARG  49          1HH2      ARG  49  14.400   2.815   1.585
  375   2HH2  ARG  49          2HH2      ARG  49  14.015   2.229   3.150
  376    H    THR  50           H        THR  50   9.111  -0.229  -3.388
  377    HA   THR  50           HA       THR  50   6.650  -1.624  -3.271
  378    HB   THR  50           HB       THR  50   9.028  -2.197  -5.058
  379    HG1  THR  50           1HG      THR  50   8.452   0.000  -5.167
  380   1HG2  THR  50          1HG2      THR  50   6.047  -2.605  -5.449
  381   2HG2  THR  50          2HG2      THR  50   7.228  -3.883  -5.143
  382   3HG2  THR  50          3HG2      THR  50   7.303  -2.950  -6.640
  383    H    TYR  51           H        TYR  51   9.971  -2.533  -2.461
  384    HA   TYR  51           HA       TYR  51   9.519  -5.271  -2.078
  385   1HB   TYR  51          2HB       TYR  51  11.780  -4.403  -2.138
  386   2HB   TYR  51          1HB       TYR  51  11.484  -3.401  -0.725
  387    HD1  TYR  51           1HD      TYR  51  11.499  -6.967  -1.783
  388    HD2  TYR  51           2HD      TYR  51  12.224  -4.167   1.324
  389    HE1  TYR  51           1HE      TYR  51  12.397  -8.762  -0.385
  390    HE2  TYR  51           2HE      TYR  51  13.126  -5.963   2.736
  391    HH   TYR  51           HH       TYR  51  13.867  -9.061   1.487
  392    H    ASP  52           H        ASP  52   9.287  -2.498   0.020
  393    HA   ASP  52           HA       ASP  52   8.616  -3.849   2.411
  394   1HB   ASP  52          2HB       ASP  52   7.880  -1.083   1.491
  395   2HB   ASP  52          1HB       ASP  52   7.473  -1.700   3.088
  396    H    CYS  53           H        CYS  53   6.409  -2.584  -0.048
  397    HA   CYS  53           HA       CYS  53   4.090  -3.475   1.309
  398   1HB   CYS  53          2HB       CYS  53   2.862  -3.112  -0.648
  399   2HB   CYS  53          1HB       CYS  53   4.128  -1.904  -0.643
  400    H    GLN  54           H        GLN  54   5.828  -4.780  -1.111
  401    HA   GLN  54           HA       GLN  54   4.741  -7.316  -1.591
  402   1HB   GLN  54          2HB       GLN  54   6.342  -6.507  -3.182
  403   2HB   GLN  54          1HB       GLN  54   7.664  -6.722  -2.038
  404   1HG   GLN  54          2HG       GLN  54   7.428  -9.100  -2.139
  405   2HG   GLN  54          1HG       GLN  54   5.969  -8.955  -3.113
  406   1HE2  GLN  54          1HE2      GLN  54   8.806  -6.939  -3.672
  407   2HE2  GLN  54          2HE2      GLN  54   9.226  -7.698  -5.161
  408    H    ARG  55           H        ARG  55   7.354  -6.704   0.504
  409    HA   ARG  55           HA       ARG  55   7.653  -9.366   1.637
  410   1HB   ARG  55          2HB       ARG  55   9.430  -7.630   1.797
  411   2HB   ARG  55          1HB       ARG  55   8.348  -6.630   2.747
  412   1HG   ARG  55          2HG       ARG  55   8.367  -8.343   4.511
  413   2HG   ARG  55          1HG       ARG  55   9.525  -9.272   3.549
  414   1HD   ARG  55          2HD       ARG  55  11.082  -7.406   3.591
  415   2HD   ARG  55          1HD       ARG  55   9.938  -6.449   4.512
  416    HE   ARG  55           HE       ARG  55  10.666  -8.964   5.720
  417   1HH1  ARG  55          1HH1      ARG  55  11.252  -5.477   5.605
  418   2HH1  ARG  55          2HH1      ARG  55  12.170  -5.434   7.040
  419   1HH2  ARG  55          1HH2      ARG  55  11.986  -8.916   7.700
  420   2HH2  ARG  55          2HH2      ARG  55  12.605  -7.415   8.218
  421    H    THR  56           H        THR  56   5.740  -6.414   2.794
  422    HA   THR  56           HA       THR  56   4.944  -8.082   4.817
  423    HB   THR  56           HB       THR  56   5.133  -5.710   5.243
  424    HG1  THR  56           1HG      THR  56   2.367  -6.215   5.539
  425   1HG2  THR  56          1HG2      THR  56   2.730  -5.380   3.450
  426   2HG2  THR  56          2HG2      THR  56   4.369  -4.830   3.102
  427   3HG2  THR  56          3HG2      THR  56   3.462  -4.115   4.432
  428    H    CYS  57           H        CYS  57   3.151  -7.144   1.821
  429    HA   CYS  57           HA       CYS  57   0.746  -8.503   2.774
  430   1HB   CYS  57          2HB       CYS  57   1.066  -6.518   0.520
  431   2HB   CYS  57          1HB       CYS  57  -0.414  -7.281   1.051
  432    H    LEU  58           H        LEU  58   2.999  -9.855   1.188
  433    HA   LEU  58           HA       LEU  58   1.543 -10.376  -1.218
  434   1HB   LEU  58          2HB       LEU  58   2.949  -8.399  -1.957
  435   2HB   LEU  58          1HB       LEU  58   4.374  -9.322  -1.587
  436    HG   LEU  58           HG       LEU  58   3.917  -9.088  -3.994
  437   1HD1  LEU  58          1HD1      LEU  58   3.827 -11.934  -3.049
  438   2HD1  LEU  58          2HD1      LEU  58   5.266 -10.948  -3.304
  439   3HD1  LEU  58          3HD1      LEU  58   4.256 -11.400  -4.675
  440   1HD2  LEU  58          1HD2      LEU  58   2.098 -10.365  -5.033
  441   2HD2  LEU  58          2HD2      LEU  58   1.512  -9.080  -3.977
  442   3HD2  LEU  58          3HD2      LEU  58   1.483 -10.759  -3.427
  443    H    TYR  59           H        TYR  59   4.346 -10.896   0.705
  444    HA   TYR  59           HA       TYR  59   4.275 -13.716   0.000
  445   1HB   TYR  59          2HB       TYR  59   6.202 -12.162   1.741
  446   2HB   TYR  59          1HB       TYR  59   6.293 -13.894   1.449
  447    HD1  TYR  59           1HD      TYR  59   7.717 -10.906   0.576
  448    HD2  TYR  59           2HD      TYR  59   6.125 -14.407  -1.244
  449    HE1  TYR  59           1HE      TYR  59   9.091 -10.490  -1.424
  450    HE2  TYR  59           2HE      TYR  59   7.492 -13.998  -3.247
  451    HH   TYR  59           HH       TYR  59  10.035 -11.813  -3.246
  452    H    THR  60           H        THR  60   2.409 -14.544   0.971
  453    HA   THR  60           HA       THR  60   2.370 -14.151   3.783
  454    HB   THR  60           HB       THR  60   0.493 -12.905   2.935
  455    HG1  THR  60           1HG      THR  60   0.163 -14.781   4.612
  456   1HG2  THR  60          1HG2      THR  60  -1.260 -13.857   1.473
  457   2HG2  THR  60          2HG2      THR  60  -0.313 -15.337   1.325
  458   3HG2  THR  60          3HG2      THR  60   0.314 -13.823   0.675
  Start of MODEL   18
    1   1H    LYS   1          1HT       LYS   1  -3.450 -16.275  10.471
    2   2H    LYS   1          2HT       LYS   1  -3.871 -17.189   9.117
    3   3H    LYS   1          3HT       LYS   1  -5.071 -16.436  10.011
    4    HA   LYS   1           HA       LYS   1  -4.296 -14.278   9.397
    5   1HB   LYS   1          2HB       LYS   1  -2.097 -15.816   8.117
    6   2HB   LYS   1          1HB       LYS   1  -2.623 -14.284   7.422
    7   1HG   LYS   1          2HG       LYS   1  -1.627 -14.734  10.233
    8   2HG   LYS   1          1HG       LYS   1  -0.784 -13.885   8.928
    9   1HD   LYS   1          2HD       LYS   1  -2.587 -12.222   8.844
   10   2HD   LYS   1          1HD       LYS   1  -3.426 -13.062  10.147
   11   1HE   LYS   1          2HE       LYS   1  -1.452 -12.627  11.600
   12   2HE   LYS   1          1HE       LYS   1  -0.758 -11.669  10.291
   13   1HZ   LYS   1          1HZ       LYS   1  -2.747 -10.227  10.405
   14   2HZ   LYS   1          2HZ       LYS   1  -1.887 -10.222  11.845
   15   3HZ   LYS   1          3HZ       LYS   1  -3.315 -11.113  11.709
   16    H    ASP   2           H        ASP   2  -5.891 -13.661   8.514
   17    HA   ASP   2           HA       ASP   2  -6.658 -14.562   5.818
   18   1HB   ASP   2          2HB       ASP   2  -8.291 -15.381   7.455
   19   2HB   ASP   2          1HB       ASP   2  -8.454 -13.760   8.119
   20    H    ARG   3           H        ARG   3  -5.840 -12.829   4.734
   21    HA   ARG   3           HA       ARG   3  -5.402 -10.802   3.987
   22   1HB   ARG   3          2HB       ARG   3  -7.571  -9.870   5.886
   23   2HB   ARG   3          1HB       ARG   3  -6.617  -8.731   4.954
   24   1HG   ARG   3          2HG       ARG   3  -8.530  -8.975   3.697
   25   2HG   ARG   3          1HG       ARG   3  -7.402 -10.079   2.917
   26   1HD   ARG   3          2HD       ARG   3  -9.552 -11.130   3.092
   27   2HD   ARG   3          1HD       ARG   3  -8.432 -11.936   4.190
   28    HE   ARG   3           HE       ARG   3  -9.717 -11.332   5.915
   29   1HH1  ARG   3          1HH1      ARG   3 -10.724  -9.338   3.124
   30   2HH1  ARG   3          2HH1      ARG   3 -11.909  -8.471   3.966
   31   1HH2  ARG   3          1HH2      ARG   3 -11.379 -10.131   7.084
   32   2HH2  ARG   3          2HH2      ARG   3 -12.314  -8.964   6.265
   33    HA   PRO   4           HA       PRO   4  -1.891  -9.952   6.262
   34   1HB   PRO   4          2HB       PRO   4  -2.056  -7.282   4.896
   35   2HB   PRO   4          1HB       PRO   4  -0.668  -8.375   5.044
   36   1HG   PRO   4          2HG       PRO   4  -2.031  -8.256   2.794
   37   2HG   PRO   4          1HG       PRO   4  -1.521  -9.837   3.437
   38   1HD   PRO   4          2HD       PRO   4  -4.223  -8.554   3.489
   39   2HD   PRO   4          1HD       PRO   4  -3.789 -10.254   3.236
   40    H    SER   5           H        SER   5  -1.249  -9.069   8.078
   41    HA   SER   5           HA       SER   5  -2.642  -7.844   9.843
   42   1HB   SER   5          2HB       SER   5   0.260  -7.189   9.430
   43   2HB   SER   5          1HB       SER   5  -0.609  -7.100  10.966
   44    HG   SER   5           HG       SER   5   0.378  -9.033  10.904
   45    H    LEU   6           H        LEU   6  -0.472  -6.201   7.587
   46    HA   LEU   6           HA       LEU   6  -1.874  -3.764   8.254
   47   1HB   LEU   6          2HB       LEU   6   0.141  -2.459   7.463
   48   2HB   LEU   6          1HB       LEU   6   0.243  -3.318   8.976
   49    HG   LEU   6           HG       LEU   6   1.537  -5.105   7.737
   50   1HD1  LEU   6          1HD1      LEU   6   0.869  -4.554   5.487
   51   2HD1  LEU   6          2HD1      LEU   6   2.622  -4.417   5.667
   52   3HD1  LEU   6          3HD1      LEU   6   1.619  -2.965   5.637
   53   1HD2  LEU   6          1HD2      LEU   6   2.581  -3.484   9.206
   54   2HD2  LEU   6          2HD2      LEU   6   2.680  -2.325   7.880
   55   3HD2  LEU   6          3HD2      LEU   6   3.612  -3.823   7.818
   56    H    CYS   7           H        CYS   7  -1.819  -5.863   5.913
   57    HA   CYS   7           HA       CYS   7  -2.793  -3.752   4.204
   58   1HB   CYS   7          2HB       CYS   7  -1.299  -6.147   3.127
   59   2HB   CYS   7          1HB       CYS   7  -2.326  -5.161   2.088
   60    H    ASP   8           H        ASP   8  -4.196  -5.060   6.021
   61    HA   ASP   8           HA       ASP   8  -6.637  -5.539   4.428
   62   1HB   ASP   8          2HB       ASP   8  -6.144  -6.996   6.457
   63   2HB   ASP   8          1HB       ASP   8  -6.174  -5.550   7.451
   64    H    LEU   9           H        LEU   9  -5.186  -3.136   4.266
   65    HA   LEU   9           HA       LEU   9  -5.421  -1.267   6.326
   66   1HB   LEU   9          2HB       LEU   9  -4.050   0.023   4.922
   67   2HB   LEU   9          1HB       LEU   9  -3.487  -1.625   4.758
   68    HG   LEU   9           HG       LEU   9  -5.367  -0.402   2.717
   69   1HD1  LEU   9          1HD1      LEU   9  -3.453   1.043   2.824
   70   2HD1  LEU   9          2HD1      LEU   9  -3.446   0.106   1.331
   71   3HD1  LEU   9          3HD1      LEU   9  -2.376  -0.340   2.661
   72   1HD2  LEU   9          1HD2      LEU   9  -4.421  -2.066   1.208
   73   2HD2  LEU   9          2HD2      LEU   9  -5.106  -2.839   2.637
   74   3HD2  LEU   9          3HD2      LEU   9  -3.361  -2.640   2.491
   75    HA   PRO  10           HA       PRO  10  -8.661   0.831   4.215
   76   1HB   PRO  10          2HB       PRO  10  -7.639   3.354   5.310
   77   2HB   PRO  10          1HB       PRO  10  -9.178   2.552   5.634
   78   1HG   PRO  10          2HG       PRO  10  -7.178   2.714   7.466
   79   2HG   PRO  10          1HG       PRO  10  -8.342   1.376   7.412
   80   1HD   PRO  10          2HD       PRO  10  -5.536   1.491   6.397
   81   2HD   PRO  10          1HD       PRO  10  -6.392   0.163   7.214
   82    H    ALA  11           H        ALA  11  -8.167   0.808   2.132
   83    HA   ALA  11           HA       ALA  11  -5.722   2.155   0.906
   84   1HB   ALA  11          1HB       ALA  11  -8.317   0.989  -0.280
   85   2HB   ALA  11          2HB       ALA  11  -6.743   0.192  -0.366
   86   3HB   ALA  11          3HB       ALA  11  -7.015   1.698  -1.237
   87    H    ASP  12           H        ASP  12  -5.700   3.908   1.721
   88    HA   ASP  12           HA       ASP  12  -7.870   5.789   1.138
   89   1HB   ASP  12          2HB       ASP  12  -8.056   5.296   3.537
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.699   3.753
   91    H    SER  13           H        SER  13  -7.582   7.706   0.410
   92    HA   SER  13           HA       SER  13  -4.895   8.093  -0.769
   93   1HB   SER  13          2HB       SER  13  -6.082   9.601  -2.261
   94   2HB   SER  13          1HB       SER  13  -6.805   7.991  -2.295
   95    HG   SER  13           HG       SER  13  -7.762  10.383  -1.404
   96    H    GLY  14           H        GLY  14  -6.798   9.471   1.708
   97   1HA   GLY  14          2HA       GLY  14  -5.796  10.853   3.301
   98   2HA   GLY  14          1HA       GLY  14  -4.539  11.234   2.141
   99    H    SER  15           H        SER  15  -5.401  13.269   3.529
  100    HA   SER  15           HA       SER  15  -7.590  14.619   2.081
  101   1HB   SER  15          2HB       SER  15  -6.825  14.841   4.994
  102   2HB   SER  15          1HB       SER  15  -8.144  15.679   4.185
  103    HG   SER  15           HG       SER  15  -8.646  13.274   3.593
  104    H    GLY  16           H        GLY  16  -4.545  14.635   1.710
  105   1HA   GLY  16          2HA       GLY  16  -3.637  16.989   3.079
  106   2HA   GLY  16          1HA       GLY  16  -2.688  15.877   2.123
  107    H    THR  17           H        THR  17  -2.107  18.175   1.897
  108    HA   THR  17           HA       THR  17  -3.303  19.550  -0.527
  109    HB   THR  17           HB       THR  17  -2.946  20.877   1.653
  110    HG1  THR  17           1HG      THR  17  -1.872  22.604   0.477
  111   1HG2  THR  17          1HG2      THR  17  -0.657  21.656   2.093
  112   2HG2  THR  17          2HG2      THR  17  -0.048  20.578   0.837
  113   3HG2  THR  17          3HG2      THR  17  -0.780  19.906   2.296
  114    H    LYS  18           H        LYS  18  -0.792  17.347   0.115
  115    HA   LYS  18           HA       LYS  18   1.211  18.402  -1.775
  116   1HB   LYS  18          2HB       LYS  18   1.809  17.923   0.612
  117   2HB   LYS  18          1HB       LYS  18   1.054  16.356   0.466
  118   1HG   LYS  18          2HG       LYS  18   2.764  15.818  -1.308
  119   2HG   LYS  18          1HG       LYS  18   3.569  17.327  -0.873
  120   1HD   LYS  18          2HD       LYS  18   3.883  16.559   1.394
  121   2HD   LYS  18          1HD       LYS  18   2.947  15.097   1.063
  122   1HE   LYS  18          2HE       LYS  18   4.644  14.449  -0.614
  123   2HE   LYS  18          1HE       LYS  18   5.589  15.868  -0.168
  124   1HZ   LYS  18          1HZ       LYS  18   5.943  14.986   2.011
  125   2HZ   LYS  18          2HZ       LYS  18   6.299  13.747   0.922
  126   3HZ   LYS  18          3HZ       LYS  18   4.856  13.725   1.776
  127    H    ALA  19           H        ALA  19   1.956  16.879  -3.172
  128    HA   ALA  19           HA       ALA  19   0.267  14.483  -3.669
  129   1HB   ALA  19          1HB       ALA  19   0.153  16.119  -5.525
  130   2HB   ALA  19          2HB       ALA  19   0.967  14.632  -6.001
  131   3HB   ALA  19          3HB       ALA  19   1.910  16.079  -5.641
  132    H    GLU  20           H        GLU  20   1.221  12.659  -3.289
  133    HA   GLU  20           HA       GLU  20   4.112  12.620  -3.313
  134   1HB   GLU  20          2HB       GLU  20   3.431  13.186  -1.066
  135   2HB   GLU  20          1HB       GLU  20   2.345  11.805  -1.017
  136   1HG   GLU  20          2HG       GLU  20   4.274  11.305   0.247
  137   2HG   GLU  20          1HG       GLU  20   4.305  10.334  -1.221
  138    H    LYS  21           H        LYS  21   4.860  10.665  -4.094
  139    HA   LYS  21           HA       LYS  21   2.896   8.733  -5.118
  140   1HB   LYS  21          2HB       LYS  21   4.540   9.905  -6.663
  141   2HB   LYS  21          1HB       LYS  21   5.835   9.284  -5.677
  142   1HG   LYS  21          2HG       LYS  21   3.923   7.479  -7.163
  143   2HG   LYS  21          1HG       LYS  21   5.360   8.153  -7.918
  144   1HD   LYS  21          2HD       LYS  21   6.712   7.054  -6.093
  145   2HD   LYS  21          1HD       LYS  21   5.226   6.265  -5.561
  146   1HE   LYS  21          2HE       LYS  21   6.504   4.762  -6.991
  147   2HE   LYS  21          1HE       LYS  21   5.001   5.228  -7.788
  148   1HZ   LYS  21          1HZ       LYS  21   7.669   6.427  -8.323
  149   2HZ   LYS  21          2HZ       LYS  21   6.245   6.836  -9.123
  150   3HZ   LYS  21          3HZ       LYS  21   6.902   5.311  -9.325
  151    H    ARG  22           H        ARG  22   2.327   7.312  -3.569
  152    HA   ARG  22           HA       ARG  22   4.637   6.182  -2.429
  153   1HB   ARG  22          2HB       ARG  22   1.881   6.604  -1.342
  154   2HB   ARG  22          1HB       ARG  22   3.086   5.611  -0.534
  155   1HG   ARG  22          2HG       ARG  22   3.488   8.506  -1.266
  156   2HG   ARG  22          1HG       ARG  22   2.928   7.942   0.309
  157   1HD   ARG  22          2HD       ARG  22   4.984   6.782   0.698
  158   2HD   ARG  22          1HD       ARG  22   5.526   7.079  -0.957
  159    HE   ARG  22           HE       ARG  22   5.661   9.414  -0.403
  160   1HH1  ARG  22          1HH1      ARG  22   5.380   7.307   2.453
  161   2HH1  ARG  22          2HH1      ARG  22   6.195   8.394   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.732  10.909   1.026
  163   2HH2  ARG  22          2HH2      ARG  22   7.021  10.482   2.629
  164    H    ILE  23           H        ILE  23   3.575   3.652  -1.508
  165    HA   ILE  23           HA       ILE  23   1.743   2.806  -3.597
  166    HB   ILE  23           HB       ILE  23   4.051   2.217  -4.399
  167   1HG1  ILE  23          2HG1      ILE  23   2.529  -0.257  -3.586
  168   2HG1  ILE  23          1HG1      ILE  23   2.126   0.756  -4.972
  169   1HG2  ILE  23          1HG2      ILE  23   4.191   0.518  -1.933
  170   2HG2  ILE  23          2HG2      ILE  23   5.210   1.928  -2.285
  171   3HG2  ILE  23          3HG2      ILE  23   5.325   0.457  -3.268
  172   1HD1  ILE  23          1HD1      ILE  23   3.368  -1.225  -5.650
  173   2HD1  ILE  23          2HD1      ILE  23   4.697  -0.765  -4.584
  174   3HD1  ILE  23          3HD1      ILE  23   4.290   0.246  -5.975
  175    H    TYR  24           H        TYR  24   0.376   1.064  -2.927
  176    HA   TYR  24           HA       TYR  24   0.910  -0.096  -0.382
  177   1HB   TYR  24          2HB       TYR  24  -1.339   0.313   0.563
  178   2HB   TYR  24          1HB       TYR  24  -0.448   1.792   0.351
  179    HD1  TYR  24           1HD      TYR  24  -2.540   2.978   0.733
  180    HD2  TYR  24           2HD      TYR  24  -2.149   0.382  -2.612
  181    HE1  TYR  24           1HE      TYR  24  -4.541   3.974  -0.261
  182    HE2  TYR  24           2HE      TYR  24  -4.155   1.386  -3.621
  183    HH   TYR  24           HH       TYR  24  -5.540   4.268  -2.547
  184    H    TYR  25           H        TYR  25  -1.012  -1.885   0.044
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.423  -2.175
  186   1HB   TYR  25          2HB       TYR  25  -0.365  -4.113   0.054
  187   2HB   TYR  25          1HB       TYR  25  -2.048  -3.814   0.431
  188    HD1  TYR  25           1HD      TYR  25   0.109  -5.844  -1.815
  189    HD2  TYR  25           2HD      TYR  25  -3.526  -5.600   0.372
  190    HE1  TYR  25           1HE      TYR  25  -0.312  -8.220  -2.258
  191    HE2  TYR  25           2HE      TYR  25  -3.962  -7.971  -0.078
  192    HH   TYR  25           HH       TYR  25  -1.557 -10.038  -1.273
  193    H    ASN  26           H        ASN  26  -2.368  -4.035  -3.620
  194    HA   ASN  26           HA       ASN  26  -5.126  -3.188  -3.062
  195   1HB   ASN  26          2HB       ASN  26  -4.168  -2.465  -5.257
  196   2HB   ASN  26          1HB       ASN  26  -3.858  -4.155  -5.643
  197   1HD2  ASN  26          1HD2      ASN  26  -6.293  -1.680  -5.313
  198   2HD2  ASN  26          2HD2      ASN  26  -7.561  -2.581  -6.041
  199    H    SER  27           H        SER  27  -6.425  -4.510  -2.590
  200    HA   SER  27           HA       SER  27  -5.407  -6.984  -1.863
  201   1HB   SER  27          2HB       SER  27  -8.266  -6.112  -1.429
  202   2HB   SER  27          1HB       SER  27  -7.524  -7.522  -0.670
  203    HG   SER  27           HG       SER  27  -6.485  -6.309   0.643
  204    H    ALA  28           H        ALA  28  -7.771  -6.053  -4.263
  205    HA   ALA  28           HA       ALA  28  -8.858  -8.637  -4.754
  206   1HB   ALA  28          1HB       ALA  28  -9.948  -7.544  -6.658
  207   2HB   ALA  28          2HB       ALA  28  -8.963  -6.108  -6.383
  208   3HB   ALA  28          3HB       ALA  28 -10.131  -6.622  -5.164
  209    H    ARG  29           H        ARG  29  -6.562  -6.556  -6.218
  210    HA   ARG  29           HA       ARG  29  -5.836  -8.427  -8.358
  211   1HB   ARG  29          2HB       ARG  29  -4.627  -5.783  -7.609
  212   2HB   ARG  29          1HB       ARG  29  -3.817  -6.853  -8.726
  213   1HG   ARG  29          2HG       ARG  29  -4.993  -5.131  -9.911
  214   2HG   ARG  29          1HG       ARG  29  -5.746  -6.687 -10.242
  215   1HD   ARG  29          2HD       ARG  29  -7.641  -6.152  -9.046
  216   2HD   ARG  29          1HD       ARG  29  -6.807  -4.932  -8.075
  217    HE   ARG  29           HE       ARG  29  -6.638  -4.049 -10.629
  218   1HH1  ARG  29          1HH1      ARG  29  -9.419  -5.056  -8.750
  219   2HH1  ARG  29          2HH1      ARG  29 -10.391  -3.698  -9.103
  220   1HH2  ARG  29          1HH2      ARG  29  -7.976  -2.244 -11.276
  221   2HH2  ARG  29          2HH2      ARG  29  -9.529  -2.047 -10.625
  222    H    LYS  30           H        LYS  30  -5.074  -8.154  -5.184
  223    HA   LYS  30           HA       LYS  30  -3.380  -8.721  -3.759
  224   1HB   LYS  30          2HB       LYS  30  -4.172 -10.959  -4.460
  225   2HB   LYS  30          1HB       LYS  30  -3.086 -10.933  -5.835
  226   1HG   LYS  30          2HG       LYS  30  -1.167 -11.071  -4.350
  227   2HG   LYS  30          1HG       LYS  30  -2.229 -10.990  -2.944
  228   1HD   LYS  30          2HD       LYS  30  -3.198 -13.108  -3.486
  229   2HD   LYS  30          1HD       LYS  30  -2.357 -13.152  -5.038
  230   1HE   LYS  30          2HE       LYS  30  -0.221 -13.275  -3.915
  231   2HE   LYS  30          1HE       LYS  30  -1.006 -13.134  -2.344
  232   1HZ   LYS  30          1HZ       LYS  30  -0.361 -15.422  -3.068
  233   2HZ   LYS  30          2HZ       LYS  30  -1.628 -15.363  -4.208
  234   3HZ   LYS  30          3HZ       LYS  30  -1.946 -15.223  -2.555
  235    H    GLN  31           H        GLN  31  -2.731  -6.912  -5.335
  236    HA   GLN  31           HA       GLN  31   0.311  -6.936  -5.721
  237   1HB   GLN  31          2HB       GLN  31   0.384  -6.208  -7.885
  238   2HB   GLN  31          1HB       GLN  31  -0.911  -7.376  -7.934
  239   1HG   GLN  31          2HG       GLN  31  -2.555  -5.570  -7.933
  240   2HG   GLN  31          1HG       GLN  31  -1.256  -4.380  -7.836
  241   1HE2  GLN  31          1HE2      GLN  31  -3.251  -4.607  -9.942
  242   2HE2  GLN  31          2HE2      GLN  31  -2.392  -4.946 -11.386
  243    H    CYS  32           H        CYS  32   1.590  -5.051  -5.433
  244    HA   CYS  32           HA       CYS  32   0.206  -3.308  -3.868
  245   1HB   CYS  32          2HB       CYS  32   3.031  -3.634  -4.817
  246   2HB   CYS  32          1HB       CYS  32   2.516  -2.324  -3.767
  247    H    LEU  33           H        LEU  33  -0.243  -1.118  -4.653
  248    HA   LEU  33           HA       LEU  33   0.800  -0.193  -7.212
  249   1HB   LEU  33          2HB       LEU  33  -1.435   0.301  -8.083
  250   2HB   LEU  33          1HB       LEU  33  -1.103  -1.411  -8.007
  251    HG   LEU  33           HG       LEU  33  -2.559  -1.479  -5.925
  252   1HD1  LEU  33          1HD1      LEU  33  -2.545   0.899  -5.361
  253   2HD1  LEU  33          2HD1      LEU  33  -4.187   0.308  -5.630
  254   3HD1  LEU  33          3HD1      LEU  33  -3.383   1.267  -6.870
  255   1HD2  LEU  33          1HD2      LEU  33  -4.621  -1.487  -7.232
  256   2HD2  LEU  33          2HD2      LEU  33  -3.296  -2.270  -8.091
  257   3HD2  LEU  33          3HD2      LEU  33  -3.793  -0.636  -8.537
  258    H    ARG  34           H        ARG  34   0.680   1.703  -7.668
  259    HA   ARG  34           HA       ARG  34   1.103   3.433  -5.458
  260   1HB   ARG  34          2HB       ARG  34   2.525   3.379  -7.475
  261   2HB   ARG  34          1HB       ARG  34   1.178   3.867  -8.459
  262   1HG   ARG  34          2HG       ARG  34   2.465   5.630  -6.363
  263   2HG   ARG  34          1HG       ARG  34   2.947   5.601  -8.048
  264   1HD   ARG  34          2HD       ARG  34   0.363   6.134  -8.414
  265   2HD   ARG  34          1HD       ARG  34   0.506   6.726  -6.754
  266    HE   ARG  34           HE       ARG  34   2.088   7.717  -9.041
  267   1HH1  ARG  34          1HH1      ARG  34   0.602   8.373  -5.871
  268   2HH1  ARG  34          2HH1      ARG  34   0.935  10.046  -5.958
  269   1HH2  ARG  34          1HH2      ARG  34   2.544   9.971  -9.087
  270   2HH2  ARG  34          2HH2      ARG  34   2.100  10.979  -7.803
  271    H    PHE  35           H        PHE  35   0.034   5.051  -4.908
  272    HA   PHE  35           HA       PHE  35  -2.379   5.299  -6.117
  273   1HB   PHE  35          2HB       PHE  35  -3.647   5.825  -3.889
  274   2HB   PHE  35          1HB       PHE  35  -2.993   4.221  -4.095
  275    HD1  PHE  35           1HD      PHE  35  -3.444   6.788  -1.861
  276    HD2  PHE  35           2HD      PHE  35  -0.438   4.047  -3.116
  277    HE1  PHE  35           1HE      PHE  35  -2.346   6.991   0.318
  278    HE2  PHE  35           2HE      PHE  35   0.664   4.256  -0.934
  279    HZ   PHE  35           HZ       PHE  35  -0.294   5.723   0.790
  280    H    ASP  36           H        ASP  36  -3.285   8.009  -5.165
  281    HA   ASP  36           HA       ASP  36  -0.840   9.459  -5.107
  282   1HB   ASP  36          2HB       ASP  36  -3.615  10.198  -5.985
  283   2HB   ASP  36          1HB       ASP  36  -2.458  11.461  -5.599
  284    H    TYR  37           H        TYR  37  -0.392   9.210  -3.011
  285    HA   TYR  37           HA       TYR  37  -2.209   9.853  -0.856
  286   1HB   TYR  37          2HB       TYR  37  -0.429   8.143  -0.727
  287   2HB   TYR  37          1HB       TYR  37   0.776   9.360  -1.045
  288    HD1  TYR  37           1HD      TYR  37  -1.977   8.612   1.403
  289    HD2  TYR  37           2HD      TYR  37   1.888  10.297   0.819
  290    HE1  TYR  37           1HE      TYR  37  -1.779   8.973   3.828
  291    HE2  TYR  37           2HE      TYR  37   2.093  10.666   3.240
  292    HH   TYR  37           HH       TYR  37   0.751  10.869   5.233
  293    H    THR  38           H        THR  38  -2.495  11.944  -0.008
  294    HA   THR  38           HA       THR  38  -1.024  13.862  -1.441
  295    HB   THR  38           HB       THR  38  -2.934  15.303  -0.450
  296    HG1  THR  38           1HG      THR  38  -4.451  13.028  -0.331
  297   1HG2  THR  38          1HG2      THR  38  -4.453  14.474  -2.206
  298   2HG2  THR  38          2HG2      THR  38  -3.473  13.015  -2.358
  299   3HG2  THR  38          3HG2      THR  38  -2.793  14.582  -2.794
  300    H    GLY  39           H        GLY  39   0.306  12.668   0.703
  301   1HA   GLY  39          2HA       GLY  39   1.638  13.120   2.467
  302   2HA   GLY  39          1HA       GLY  39   1.365  14.785   2.045
  303    H    GLN  40           H        GLN  40  -1.690  14.330   3.080
  304    HA   GLN  40           HA       GLN  40  -0.851  14.323   5.868
  305   1HB   GLN  40          2HB       GLN  40  -1.033  16.666   5.026
  306   2HB   GLN  40          1HB       GLN  40  -2.712  16.360   4.613
  307   1HG   GLN  40          2HG       GLN  40  -2.684  17.536   6.671
  308   2HG   GLN  40          1HG       GLN  40  -3.124  15.860   7.023
  309   1HE2  GLN  40          1HE2      GLN  40  -2.401  16.019   9.151
  310   2HE2  GLN  40          2HE2      GLN  40  -0.723  16.051   9.551
  311    H    GLY  41           H        GLY  41  -2.471  12.973   7.095
  312   1HA   GLY  41          2HA       GLY  41  -4.688  12.600   7.588
  313   2HA   GLY  41          1HA       GLY  41  -5.135  13.432   6.112
  314    H    GLY  42           H        GLY  42  -3.083  10.599   6.579
  315   1HA   GLY  42          2HA       GLY  42  -4.844   9.249   4.681
  316   2HA   GLY  42          1HA       GLY  42  -3.093   9.087   4.690
  317    H    ASN  43           H        ASN  43  -3.083   6.872   4.969
  318    HA   ASN  43           HA       ASN  43  -4.285   5.622   7.330
  319   1HB   ASN  43          2HB       ASN  43  -4.201   3.718   5.911
  320   2HB   ASN  43          1HB       ASN  43  -5.075   4.948   5.013
  321   1HD2  ASN  43          1HD2      ASN  43  -3.647   2.600   4.081
  322   2HD2  ASN  43          2HD2      ASN  43  -2.414   3.165   2.996
  323    H    GLU  44           H        GLU  44  -3.100   3.967   8.014
  324    HA   GLU  44           HA       GLU  44  -0.373   4.672   8.872
  325   1HB   GLU  44          2HB       GLU  44  -2.051   2.233   9.347
  326   2HB   GLU  44          1HB       GLU  44  -0.624   2.750  10.233
  327   1HG   GLU  44          2HG       GLU  44  -3.312   4.105  10.175
  328   2HG   GLU  44          1HG       GLU  44  -2.586   3.230  11.522
  329    H    ASN  45           H        ASN  45  -1.751   2.669   6.435
  330    HA   ASN  45           HA       ASN  45   0.713   1.212   6.146
  331   1HB   ASN  45          2HB       ASN  45  -1.451   0.130   5.701
  332   2HB   ASN  45          1HB       ASN  45  -1.761   1.281   4.407
  333   1HD2  ASN  45          1HD2      ASN  45  -0.134  -1.541   5.338
  334   2HD2  ASN  45          2HD2      ASN  45   0.546  -1.929   3.793
  335    H    ASN  46           H        ASN  46   2.213   3.643   5.294
  336    HA   ASN  46           HA       ASN  46   1.573   3.511   2.679
  337   1HB   ASN  46          2HB       ASN  46   1.299   5.478   4.136
  338   2HB   ASN  46          1HB       ASN  46   2.995   5.369   4.581
  339   1HD2  ASN  46          1HD2      ASN  46   0.722   6.222   2.202
  340   2HD2  ASN  46          2HD2      ASN  46   1.813   7.048   1.142
  341    H    PHE  47           H        PHE  47   3.067   2.788   1.240
  342    HA   PHE  47           HA       PHE  47   5.622   2.194   2.347
  343   1HB   PHE  47          2HB       PHE  47   4.359   1.095  -0.152
  344   2HB   PHE  47          1HB       PHE  47   5.936   0.623   0.480
  345    HD1  PHE  47           1HD      PHE  47   2.616  -0.252   0.354
  346    HD2  PHE  47           2HD      PHE  47   5.849   0.028   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.511  -1.870   1.826
  348    HE2  PHE  47           2HE      PHE  47   4.759  -1.591   4.554
  349    HZ   PHE  47           HZ       PHE  47   2.580  -2.541   3.921
  350    H    ARG  48           H        ARG  48   7.366   3.145   1.414
  351    HA   ARG  48           HA       ARG  48   7.117   5.150  -0.810
  352   1HB   ARG  48          2HB       ARG  48   7.935   5.904   1.430
  353   2HB   ARG  48          1HB       ARG  48   9.285   4.802   1.241
  354   1HG   ARG  48          2HG       ARG  48   9.909   7.099   0.688
  355   2HG   ARG  48          1HG       ARG  48  10.056   6.041  -0.708
  356   1HD   ARG  48          2HD       ARG  48   8.047   6.966  -1.709
  357   2HD   ARG  48          1HD       ARG  48   7.637   7.837  -0.243
  358    HE   ARG  48           HE       ARG  48  10.094   8.725  -0.892
  359   1HH1  ARG  48          1HH1      ARG  48   7.110   8.552  -2.872
  360   2HH1  ARG  48          2HH1      ARG  48   7.298  10.116  -3.500
  361   1HH2  ARG  48          1HH2      ARG  48  10.292  10.904  -1.802
  362   2HH2  ARG  48          2HH2      ARG  48   9.130  11.482  -2.888
  363    H    ARG  49           H        ARG  49   8.251   1.855  -0.221
  364    HA   ARG  49           HA       ARG  49   9.655   2.130  -2.672
  365   1HB   ARG  49          2HB       ARG  49  11.313   2.197  -0.902
  366   2HB   ARG  49          1HB       ARG  49  10.617   0.787  -0.133
  367   1HG   ARG  49          2HG       ARG  49  11.406  -0.644  -1.865
  368   2HG   ARG  49          1HG       ARG  49  11.880   0.736  -2.859
  369   1HD   ARG  49          2HD       ARG  49  13.828  -0.270  -1.802
  370   2HD   ARG  49          1HD       ARG  49  13.562   1.358  -1.192
  371    HE   ARG  49           HE       ARG  49  12.708  -1.029   0.305
  372   1HH1  ARG  49          1HH1      ARG  49  14.434   2.089   0.211
  373   2HH1  ARG  49          2HH1      ARG  49  14.888   2.027   1.850
  374   1HH2  ARG  49          1HH2      ARG  49  13.336  -1.074   2.559
  375   2HH2  ARG  49          2HH2      ARG  49  14.283   0.192   3.196
  376    H    THR  50           H        THR  50   9.256   0.366  -4.012
  377    HA   THR  50           HA       THR  50   6.902  -1.017  -3.910
  378    HB   THR  50           HB       THR  50   9.286  -1.834  -5.557
  379    HG1  THR  50           1HG      THR  50   7.488   0.257  -6.265
  380   1HG2  THR  50          1HG2      THR  50   7.204  -3.154  -5.817
  381   2HG2  THR  50          2HG2      THR  50   7.555  -2.220  -7.269
  382   3HG2  THR  50          3HG2      THR  50   6.312  -1.668  -6.144
  383    H    TYR  51           H        TYR  51  10.185  -2.434  -3.522
  384    HA   TYR  51           HA       TYR  51   9.353  -5.048  -3.003
  385   1HB   TYR  51          2HB       TYR  51  11.650  -4.664  -3.582
  386   2HB   TYR  51          1HB       TYR  51  11.895  -3.611  -2.189
  387    HD1  TYR  51           1HD      TYR  51  13.017  -4.512  -0.402
  388    HD2  TYR  51           2HD      TYR  51  10.834  -7.122  -2.946
  389    HE1  TYR  51           1HE      TYR  51  13.776  -6.422   0.926
  390    HE2  TYR  51           2HE      TYR  51  11.597  -9.048  -1.626
  391    HH   TYR  51           HH       TYR  51  13.330  -9.651  -0.112
  392    H    ASP  52           H        ASP  52   9.652  -2.308  -0.899
  393    HA   ASP  52           HA       ASP  52   9.508  -3.813   1.536
  394   1HB   ASP  52          2HB       ASP  52  10.238  -1.443   1.492
  395   2HB   ASP  52          1HB       ASP  52   8.610  -0.964   1.029
  396    H    CYS  53           H        CYS  53   7.044  -2.345  -0.435
  397    HA   CYS  53           HA       CYS  53   4.713  -3.188   0.987
  398   1HB   CYS  53          2HB       CYS  53   4.694  -1.646  -0.956
  399   2HB   CYS  53          1HB       CYS  53   4.994  -3.024  -2.012
  400    H    GLN  54           H        GLN  54   6.248  -4.505  -1.503
  401    HA   GLN  54           HA       GLN  54   5.112  -7.135  -1.909
  402   1HB   GLN  54          2HB       GLN  54   6.538  -6.331  -3.564
  403   2HB   GLN  54          1HB       GLN  54   7.986  -6.484  -2.528
  404   1HG   GLN  54          2HG       GLN  54   7.471  -8.967  -2.553
  405   2HG   GLN  54          1HG       GLN  54   6.270  -8.619  -3.800
  406   1HE2  GLN  54          1HE2      GLN  54   9.607  -8.947  -3.081
  407   2HE2  GLN  54          2HE2      GLN  54  10.200  -8.705  -4.676
  408    H    ARG  55           H        ARG  55   7.787  -6.367   0.030
  409    HA   ARG  55           HA       ARG  55   8.181  -9.012   1.030
  410   1HB   ARG  55          2HB       ARG  55   9.996  -7.372   0.973
  411   2HB   ARG  55          1HB       ARG  55   9.122  -6.346   2.092
  412   1HG   ARG  55          2HG       ARG  55   9.430  -7.908   3.864
  413   2HG   ARG  55          1HG       ARG  55  10.106  -9.108   2.753
  414   1HD   ARG  55          2HD       ARG  55  11.965  -7.654   2.262
  415   2HD   ARG  55          1HD       ARG  55  11.285  -6.386   3.262
  416    HE   ARG  55           HE       ARG  55  11.573  -7.897   5.166
  417   1HH1  ARG  55          1HH1      ARG  55  13.512  -8.625   2.258
  418   2HH1  ARG  55          2HH1      ARG  55  14.858  -9.177   3.132
  419   1HH2  ARG  55          1HH2      ARG  55  13.468  -8.650   6.363
  420   2HH2  ARG  55          2HH2      ARG  55  14.860  -9.152   5.525
  421    H    THR  56           H        THR  56   6.377  -6.074   2.432
  422    HA   THR  56           HA       THR  56   5.822  -7.853   4.430
  423    HB   THR  56           HB       THR  56   6.104  -5.583   5.036
  424    HG1  THR  56           1HG      THR  56   4.697  -6.862   6.258
  425   1HG2  THR  56          1HG2      THR  56   3.602  -5.008   3.468
  426   2HG2  THR  56          2HG2      THR  56   5.237  -4.511   3.045
  427   3HG2  THR  56          3HG2      THR  56   4.462  -3.856   4.488
  428    H    CYS  57           H        CYS  57   3.769  -6.771   1.710
  429    HA   CYS  57           HA       CYS  57   1.457  -8.090   2.900
  430   1HB   CYS  57          2HB       CYS  57   1.468  -6.147   0.578
  431   2HB   CYS  57          1HB       CYS  57   0.089  -6.722   1.515
  432    H    LEU  58           H        LEU  58   3.677  -8.513   0.437
  433    HA   LEU  58           HA       LEU  58   1.893 -10.323  -0.992
  434   1HB   LEU  58          2HB       LEU  58   3.075  -8.544  -2.252
  435   2HB   LEU  58          1HB       LEU  58   4.604  -9.228  -1.779
  436    HG   LEU  58           HG       LEU  58   3.894  -9.613  -4.164
  437   1HD1  LEU  58          1HD1      LEU  58   4.425 -12.085  -2.548
  438   2HD1  LEU  58          2HD1      LEU  58   5.626 -10.991  -3.238
  439   3HD1  LEU  58          3HD1      LEU  58   4.584 -11.940  -4.299
  440   1HD2  LEU  58          1HD2      LEU  58   1.533  -9.999  -3.796
  441   2HD2  LEU  58          2HD2      LEU  58   1.895 -11.480  -2.903
  442   3HD2  LEU  58          3HD2      LEU  58   2.264 -11.372  -4.627
  443    H    TYR  59           H        TYR  59   4.579 -10.364   1.200
  444    HA   TYR  59           HA       TYR  59   4.976 -13.162   0.593
  445   1HB   TYR  59          2HB       TYR  59   6.546 -11.312   2.394
  446   2HB   TYR  59          1HB       TYR  59   6.847 -13.038   2.271
  447    HD1  TYR  59           1HD      TYR  59   8.861 -10.872   1.761
  448    HD2  TYR  59           2HD      TYR  59   6.204 -12.891  -0.865
  449    HE1  TYR  59           1HE      TYR  59  10.398 -10.458  -0.106
  450    HE2  TYR  59           2HE      TYR  59   7.726 -12.481  -2.733
  451    HH   TYR  59           HH       TYR  59  10.866 -11.593  -2.340
  452    H    THR  60           H        THR  60   2.998 -14.074   1.475
  453    HA   THR  60           HA       THR  60   2.853 -14.555   4.107
  454    HB   THR  60           HB       THR  60   2.283 -12.174   4.471
  455    HG1  THR  60           1HG      THR  60  -0.275 -12.952   4.846
  456   1HG2  THR  60          1HG2      THR  60   0.263 -11.139   3.495
  457   2HG2  THR  60          2HG2      THR  60  -0.009 -12.591   2.533
  458   3HG2  THR  60          3HG2      THR  60   1.416 -11.599   2.239
  Start of MODEL   19
    1   1H    LYS   1          1HT       LYS   1  -2.217 -13.953  11.079
    2   2H    LYS   1          2HT       LYS   1  -1.381 -12.675  10.436
    3   3H    LYS   1          3HT       LYS   1  -0.587 -13.705  11.527
    4    HA   LYS   1           HA       LYS   1   0.026 -14.046   9.214
    5   1HB   LYS   1          2HB       LYS   1  -0.486 -16.518   9.085
    6   2HB   LYS   1          1HB       LYS   1   0.137 -16.027  10.653
    7   1HG   LYS   1          2HG       LYS   1  -2.196 -15.968  11.499
    8   2HG   LYS   1          1HG       LYS   1  -2.734 -16.591   9.942
    9   1HD   LYS   1          2HD       LYS   1  -2.539 -18.364  11.637
   10   2HD   LYS   1          1HD       LYS   1  -1.424 -18.619  10.289
   11   1HE   LYS   1          2HE       LYS   1   0.421 -17.838  11.585
   12   2HE   LYS   1          1HE       LYS   1  -0.645 -17.274  12.869
   13   1HZ   LYS   1          1HZ       LYS   1  -1.200 -19.488  13.414
   14   2HZ   LYS   1          2HZ       LYS   1   0.471 -19.396  13.384
   15   3HZ   LYS   1          3HZ       LYS   1  -0.361 -20.130  12.094
   16    H    ASP   2           H        ASP   2  -0.999 -15.540   7.261
   17    HA   ASP   2           HA       ASP   2  -2.359 -15.542   5.451
   18   1HB   ASP   2          2HB       ASP   2  -4.429 -14.536   7.413
   19   2HB   ASP   2          1HB       ASP   2  -4.783 -14.608   5.694
   20    H    ARG   3           H        ARG   3  -3.081 -12.550   7.113
   21    HA   ARG   3           HA       ARG   3  -1.811 -11.050   4.957
   22   1HB   ARG   3          2HB       ARG   3  -4.604 -10.450   5.976
   23   2HB   ARG   3          1HB       ARG   3  -3.676  -9.469   4.879
   24   1HG   ARG   3          2HG       ARG   3  -3.918 -11.174   3.150
   25   2HG   ARG   3          1HG       ARG   3  -4.836 -12.187   4.278
   26   1HD   ARG   3          2HD       ARG   3  -6.445 -10.358   4.579
   27   2HD   ARG   3          1HD       ARG   3  -5.556  -9.391   3.420
   28    HE   ARG   3           HE       ARG   3  -6.271 -11.736   2.146
   29   1HH1  ARG   3          1HH1      ARG   3  -7.940  -9.119   3.820
   30   2HH1  ARG   3          2HH1      ARG   3  -9.266  -9.022   2.772
   31   1HH2  ARG   3          1HH2      ARG   3  -8.189 -11.653   0.615
   32   2HH2  ARG   3          2HH2      ARG   3  -9.391 -10.479   0.922
   33    HA   PRO   4           HA       PRO   4  -1.050  -8.911   8.827
   34   1HB   PRO   4          2HB       PRO   4   0.031  -6.761   7.012
   35   2HB   PRO   4          1HB       PRO   4   0.817  -7.498   8.413
   36   1HG   PRO   4          2HG       PRO   4   1.575  -8.102   5.911
   37   2HG   PRO   4          1HG       PRO   4   1.578  -9.315   7.201
   38   1HD   PRO   4          2HD       PRO   4  -0.391  -8.912   4.985
   39   2HD   PRO   4          1HD       PRO   4   0.225 -10.426   5.683
   40    H    SER   5           H        SER   5  -2.904  -7.658   9.520
   41    HA   SER   5           HA       SER   5  -4.926  -7.104   7.860
   42   1HB   SER   5          2HB       SER   5  -4.387  -5.966  10.582
   43   2HB   SER   5          1HB       SER   5  -5.960  -5.975   9.769
   44    HG   SER   5           HG       SER   5  -5.585  -8.261   9.498
   45    H    LEU   6           H        LEU   6  -2.119  -5.049   8.290
   46    HA   LEU   6           HA       LEU   6  -3.483  -2.694   7.714
   47   1HB   LEU   6          2HB       LEU   6  -1.151  -1.773   7.544
   48   2HB   LEU   6          1HB       LEU   6  -1.599  -2.455   9.084
   49    HG   LEU   6           HG       LEU   6  -0.300  -4.536   8.408
   50   1HD1  LEU   6          1HD1      LEU   6   1.447  -4.285   6.723
   51   2HD1  LEU   6          2HD1      LEU   6   0.772  -2.726   6.253
   52   3HD1  LEU   6          3HD1      LEU   6  -0.168  -4.202   6.018
   53   1HD2  LEU   6          1HD2      LEU   6   1.856  -3.539   8.992
   54   2HD2  LEU   6          2HD2      LEU   6   0.544  -2.937  10.008
   55   3HD2  LEU   6          3HD2      LEU   6   1.185  -1.937   8.705
   56    H    CYS   7           H        CYS   7  -2.591  -5.299   5.788
   57    HA   CYS   7           HA       CYS   7  -2.005  -3.840   3.404
   58   1HB   CYS   7          2HB       CYS   7  -2.829  -6.714   3.828
   59   2HB   CYS   7          1HB       CYS   7  -2.146  -6.039   2.355
   60    H    ASP   8           H        ASP   8  -4.772  -4.807   5.201
   61    HA   ASP   8           HA       ASP   8  -6.687  -4.489   2.985
   62   1HB   ASP   8          2HB       ASP   8  -6.816  -6.573   4.433
   63   2HB   ASP   8          1HB       ASP   8  -7.118  -5.540   5.823
   64    H    LEU   9           H        LEU   9  -5.221  -2.262   4.124
   65    HA   LEU   9           HA       LEU   9  -6.879  -1.145   6.217
   66   1HB   LEU   9          2HB       LEU   9  -4.348  -1.581   6.568
   67   2HB   LEU   9          1HB       LEU   9  -4.084  -0.352   5.370
   68    HG   LEU   9           HG       LEU   9  -3.712   0.468   7.626
   69   1HD1  LEU   9          1HD1      LEU   9  -4.423   2.094   6.022
   70   2HD1  LEU   9          2HD1      LEU   9  -5.095   2.466   7.612
   71   3HD1  LEU   9          3HD1      LEU   9  -6.115   1.739   6.368
   72   1HD2  LEU   9          1HD2      LEU   9  -6.610  -0.183   8.113
   73   2HD2  LEU   9          2HD2      LEU   9  -5.575   0.735   9.205
   74   3HD2  LEU   9          3HD2      LEU   9  -5.211  -0.957   8.860
   75    HA   PRO  10           HA       PRO  10  -9.066   1.148   3.409
   76   1HB   PRO  10          2HB       PRO  10  -7.889   3.384   4.969
   77   2HB   PRO  10          1HB       PRO  10  -9.553   3.125   4.429
   78   1HG   PRO  10          2HG       PRO  10  -8.526   2.439   6.929
   79   2HG   PRO  10          1HG       PRO  10 -10.038   1.839   6.224
   80   1HD   PRO  10          2HD       PRO  10  -7.713   0.337   6.808
   81   2HD   PRO  10          1HD       PRO  10  -9.127  -0.205   5.880
   82    H    ALA  11           H        ALA  11  -8.551   1.185   1.568
   83    HA   ALA  11           HA       ALA  11  -6.039   2.374   0.326
   84   1HB   ALA  11          1HB       ALA  11  -8.715   1.391  -0.835
   85   2HB   ALA  11          2HB       ALA  11  -7.197   0.510  -0.964
   86   3HB   ALA  11          3HB       ALA  11  -7.399   2.049  -1.807
   87    H    ASP  12           H        ASP  12  -5.936   4.057   1.182
   88    HA   ASP  12           HA       ASP  12  -8.002   6.097   0.722
   89   1HB   ASP  12          2HB       ASP  12  -8.204   5.432   3.090
   90   2HB   ASP  12          1HB       ASP  12  -6.490   5.759   3.318
   91    H    SER  13           H        SER  13  -7.617   8.096   0.223
   92    HA   SER  13           HA       SER  13  -4.971   8.407  -1.061
   93   1HB   SER  13          2HB       SER  13  -6.261  10.244  -2.224
   94   2HB   SER  13          1HB       SER  13  -6.754   8.589  -2.601
   95    HG   SER  13           HG       SER  13  -8.070  10.458  -0.876
   96    H    GLY  14           H        GLY  14  -6.646   9.635   1.616
   97   1HA   GLY  14          2HA       GLY  14  -5.865  11.178   3.114
   98   2HA   GLY  14          1HA       GLY  14  -4.443  11.389   2.097
   99    H    SER  15           H        SER  15  -5.551  13.566   3.160
  100    HA   SER  15           HA       SER  15  -6.460  14.625   0.942
  101   1HB   SER  15          2HB       SER  15  -8.493  15.011   3.162
  102   2HB   SER  15          1HB       SER  15  -8.478  16.109   1.779
  103    HG   SER  15           HG       SER  15  -9.751  13.900   1.898
  104    H    GLY  16           H        GLY  16  -4.204  14.846   1.764
  105   1HA   GLY  16          2HA       GLY  16  -3.682  17.192   3.277
  106   2HA   GLY  16          1HA       GLY  16  -2.517  16.121   2.535
  107    H    THR  17           H        THR  17  -1.756  18.453   2.460
  108    HA   THR  17           HA       THR  17  -2.675  20.127   0.280
  109    HB   THR  17           HB       THR  17  -0.786  21.505   1.261
  110    HG1  THR  17           1HG      THR  17  -0.724  20.569   3.659
  111   1HG2  THR  17          1HG2      THR  17  -3.177  21.925   1.699
  112   2HG2  THR  17          2HG2      THR  17  -2.210  22.210   3.141
  113   3HG2  THR  17          3HG2      THR  17  -3.151  20.724   2.991
  114    H    LYS  18           H        LYS  18  -0.260  17.618   0.524
  115    HA   LYS  18           HA       LYS  18   1.656  18.751  -1.450
  116   1HB   LYS  18          2HB       LYS  18   2.518  18.366   0.903
  117   2HB   LYS  18          1HB       LYS  18   1.813  16.769   0.863
  118   1HG   LYS  18          2HG       LYS  18   4.153  16.551   0.548
  119   2HG   LYS  18          1HG       LYS  18   3.380  16.208  -0.995
  120   1HD   LYS  18          2HD       LYS  18   3.928  18.485  -1.746
  121   2HD   LYS  18          1HD       LYS  18   4.725  18.786  -0.194
  122   1HE   LYS  18          2HE       LYS  18   6.250  16.893  -0.655
  123   2HE   LYS  18          1HE       LYS  18   5.484  16.688  -2.225
  124   1HZ   LYS  18          1HZ       LYS  18   6.854  19.139  -1.319
  125   2HZ   LYS  18          2HZ       LYS  18   6.296  18.839  -2.911
  126   3HZ   LYS  18          3HZ       LYS  18   7.576  17.974  -2.288
  127    H    ALA  19           H        ALA  19   2.504  17.140  -2.835
  128    HA   ALA  19           HA       ALA  19   0.678  14.861  -3.258
  129   1HB   ALA  19          1HB       ALA  19   1.362  14.942  -5.611
  130   2HB   ALA  19          2HB       ALA  19   2.400  16.329  -5.275
  131   3HB   ALA  19          3HB       ALA  19   0.650  16.489  -5.143
  132    H    GLU  20           H        GLU  20   1.525  12.936  -2.899
  133    HA   GLU  20           HA       GLU  20   4.399  12.660  -3.054
  134   1HB   GLU  20          2HB       GLU  20   3.855  13.138  -0.731
  135   2HB   GLU  20          1HB       GLU  20   2.700  11.817  -0.702
  136   1HG   GLU  20          2HG       GLU  20   4.791  11.235   0.395
  137   2HG   GLU  20          1HG       GLU  20   4.474  10.222  -1.019
  138    H    LYS  21           H        LYS  21   5.034  10.606  -3.573
  139    HA   LYS  21           HA       LYS  21   2.997   8.860  -4.879
  140   1HB   LYS  21          2HB       LYS  21   4.935   9.850  -6.164
  141   2HB   LYS  21          1HB       LYS  21   5.991   8.931  -5.101
  142   1HG   LYS  21          2HG       LYS  21   4.759   6.869  -5.860
  143   2HG   LYS  21          1HG       LYS  21   4.005   7.883  -7.088
  144   1HD   LYS  21          2HD       LYS  21   5.876   6.855  -8.113
  145   2HD   LYS  21          1HD       LYS  21   6.335   8.534  -7.799
  146   1HE   LYS  21          2HE       LYS  21   7.498   7.824  -5.762
  147   2HE   LYS  21          1HE       LYS  21   7.029   6.152  -6.083
  148   1HZ   LYS  21          1HZ       LYS  21   8.956   7.828  -7.618
  149   2HZ   LYS  21          2HZ       LYS  21   8.228   6.475  -8.267
  150   3HZ   LYS  21          3HZ       LYS  21   9.177   6.301  -6.905
  151    H    ARG  22           H        ARG  22   2.224   7.343  -3.269
  152    HA   ARG  22           HA       ARG  22   4.435   5.996  -2.094
  153   1HB   ARG  22          2HB       ARG  22   1.615   6.438  -1.136
  154   2HB   ARG  22          1HB       ARG  22   2.792   5.430  -0.309
  155   1HG   ARG  22          2HG       ARG  22   3.168   8.372  -0.862
  156   2HG   ARG  22          1HG       ARG  22   2.511   7.728   0.640
  157   1HD   ARG  22          2HD       ARG  22   4.615   6.507   1.014
  158   2HD   ARG  22          1HD       ARG  22   5.263   7.177  -0.485
  159    HE   ARG  22           HE       ARG  22   5.324   9.317   0.502
  160   1HH1  ARG  22          1HH1      ARG  22   4.430   6.807   2.839
  161   2HH1  ARG  22          2HH1      ARG  22   4.823   7.707   4.206
  162   1HH2  ARG  22          1HH2      ARG  22   5.866  10.631   2.469
  163   2HH2  ARG  22          2HH2      ARG  22   5.587   9.928   3.981
  164    H    ILE  23           H        ILE  23   3.225   3.512  -1.382
  165    HA   ILE  23           HA       ILE  23   1.523   2.724  -3.615
  166    HB   ILE  23           HB       ILE  23   3.862   2.139  -4.273
  167   1HG1  ILE  23          2HG1      ILE  23   2.339  -0.363  -3.584
  168   2HG1  ILE  23          1HG1      ILE  23   1.982   0.677  -4.957
  169   1HG2  ILE  23          1HG2      ILE  23   4.856   1.847  -2.063
  170   2HG2  ILE  23          2HG2      ILE  23   5.133   0.443  -3.107
  171   3HG2  ILE  23          3HG2      ILE  23   3.906   0.364  -1.859
  172   1HD1  ILE  23          1HD1      ILE  23   4.552  -0.819  -4.502
  173   2HD1  ILE  23          2HD1      ILE  23   4.181   0.214  -5.888
  174   3HD1  ILE  23          3HD1      ILE  23   3.266  -1.270  -5.623
  175    H    TYR  24           H        TYR  24   0.006   1.016  -3.020
  176    HA   TYR  24           HA       TYR  24   0.224   0.207  -0.188
  177   1HB   TYR  24          2HB       TYR  24  -2.144   0.529   0.191
  178   2HB   TYR  24          1HB       TYR  24  -1.509   2.036  -0.434
  179    HD1  TYR  24           1HD      TYR  24  -3.838  -0.661  -0.892
  180    HD2  TYR  24           2HD      TYR  24  -2.115   2.682  -2.827
  181    HE1  TYR  24           1HE      TYR  24  -5.644  -0.714  -2.542
  182    HE2  TYR  24           2HE      TYR  24  -3.916   2.642  -4.487
  183    HH   TYR  24           HH       TYR  24  -6.745   0.730  -4.119
  184    H    TYR  25           H        TYR  25  -0.730  -1.657   0.160
  185    HA   TYR  25           HA       TYR  25  -0.617  -3.646  -1.882
  186   1HB   TYR  25          2HB       TYR  25  -0.266  -4.439   0.329
  187   2HB   TYR  25          1HB       TYR  25  -1.884  -3.949   0.827
  188    HD1  TYR  25           1HD      TYR  25  -0.237  -6.163  -1.719
  189    HD2  TYR  25           2HD      TYR  25  -3.533  -5.579   0.898
  190    HE1  TYR  25           1HE      TYR  25  -1.098  -8.398  -2.302
  191    HE2  TYR  25           2HE      TYR  25  -4.396  -7.804   0.328
  192    HH   TYR  25           HH       TYR  25  -2.527 -10.093  -1.338
  193    H    ASN  26           H        ASN  26  -2.287  -4.060  -3.433
  194    HA   ASN  26           HA       ASN  26  -5.004  -3.178  -2.771
  195   1HB   ASN  26          2HB       ASN  26  -3.963  -2.479  -4.976
  196   2HB   ASN  26          1HB       ASN  26  -3.914  -4.185  -5.411
  197   1HD2  ASN  26          1HD2      ASN  26  -5.878  -1.395  -5.034
  198   2HD2  ASN  26          2HD2      ASN  26  -7.333  -2.095  -5.632
  199    H    SER  27           H        SER  27  -6.359  -4.440  -2.293
  200    HA   SER  27           HA       SER  27  -5.463  -7.059  -1.793
  201   1HB   SER  27          2HB       SER  27  -6.726  -5.961  -0.022
  202   2HB   SER  27          1HB       SER  27  -8.181  -5.974  -1.020
  203    HG   SER  27           HG       SER  27  -8.457  -8.005  -0.672
  204    H    ALA  28           H        ALA  28  -7.839  -5.763  -4.019
  205    HA   ALA  28           HA       ALA  28  -9.041  -8.254  -4.619
  206   1HB   ALA  28          1HB       ALA  28 -10.276  -6.208  -4.907
  207   2HB   ALA  28          2HB       ALA  28 -10.142  -7.036  -6.459
  208   3HB   ALA  28          3HB       ALA  28  -9.120  -5.642  -6.114
  209    H    ARG  29           H        ARG  29  -6.642  -6.191  -5.961
  210    HA   ARG  29           HA       ARG  29  -6.060  -7.865  -8.292
  211   1HB   ARG  29          2HB       ARG  29  -4.552  -5.448  -7.261
  212   2HB   ARG  29          1HB       ARG  29  -4.170  -6.308  -8.745
  213   1HG   ARG  29          2HG       ARG  29  -6.773  -4.895  -8.208
  214   2HG   ARG  29          1HG       ARG  29  -5.414  -4.213  -9.096
  215   1HD   ARG  29          2HD       ARG  29  -7.011  -6.658  -9.846
  216   2HD   ARG  29          1HD       ARG  29  -7.061  -5.085 -10.643
  217    HE   ARG  29           HE       ARG  29  -4.743  -6.921 -10.651
  218   1HH1  ARG  29          1HH1      ARG  29  -6.539  -4.273 -12.228
  219   2HH1  ARG  29          2HH1      ARG  29  -5.628  -4.369 -13.648
  220   1HH2  ARG  29          1HH2      ARG  29  -3.521  -6.982 -12.548
  221   2HH2  ARG  29          2HH2      ARG  29  -3.836  -5.876 -13.829
  222    H    LYS  30           H        LYS  30  -5.268  -7.992  -5.131
  223    HA   LYS  30           HA       LYS  30  -3.661  -8.905  -3.763
  224   1HB   LYS  30          2HB       LYS  30  -4.573 -10.957  -4.915
  225   2HB   LYS  30          1HB       LYS  30  -3.287 -10.820  -6.107
  226   1HG   LYS  30          2HG       LYS  30  -1.701 -10.948  -4.070
  227   2HG   LYS  30          1HG       LYS  30  -3.108 -11.580  -3.220
  228   1HD   LYS  30          2HD       LYS  30  -3.280 -13.390  -4.816
  229   2HD   LYS  30          1HD       LYS  30  -1.942 -12.712  -5.754
  230   1HE   LYS  30          2HE       LYS  30  -0.557 -12.902  -3.640
  231   2HE   LYS  30          1HE       LYS  30  -1.860 -13.888  -2.989
  232   1HZ   LYS  30          1HZ       LYS  30  -1.555 -15.393  -4.907
  233   2HZ   LYS  30          2HZ       LYS  30  -0.186 -15.281  -3.920
  234   3HZ   LYS  30          3HZ       LYS  30  -0.234 -14.451  -5.395
  235    H    GLN  31           H        GLN  31  -2.843  -6.982  -5.143
  236    HA   GLN  31           HA       GLN  31   0.205  -7.085  -5.372
  237   1HB   GLN  31          2HB       GLN  31   0.428  -6.293  -7.533
  238   2HB   GLN  31          1HB       GLN  31  -0.643  -7.676  -7.626
  239   1HG   GLN  31          2HG       GLN  31  -2.545  -6.115  -7.781
  240   2HG   GLN  31          1HG       GLN  31  -1.391  -4.777  -7.810
  241   1HE2  GLN  31          1HE2      GLN  31  -1.928  -4.134  -9.911
  242   2HE2  GLN  31          2HE2      GLN  31  -1.480  -5.079 -11.273
  243    H    CYS  32           H        CYS  32   1.494  -5.301  -5.081
  244    HA   CYS  32           HA       CYS  32  -0.254  -3.735  -3.792
  245   1HB   CYS  32          2HB       CYS  32   1.842  -2.535  -2.858
  246   2HB   CYS  32          1HB       CYS  32   1.523  -4.192  -2.388
  247    H    LEU  33           H        LEU  33  -0.442  -1.348  -4.542
  248    HA   LEU  33           HA       LEU  33   0.998  -0.461  -6.944
  249   1HB   LEU  33          2HB       LEU  33  -1.077  -0.149  -8.190
  250   2HB   LEU  33          1HB       LEU  33  -0.742  -1.843  -7.951
  251    HG   LEU  33           HG       LEU  33  -2.499  -1.791  -6.102
  252   1HD1  LEU  33          1HD1      LEU  33  -4.173  -0.026  -6.225
  253   2HD1  LEU  33          2HD1      LEU  33  -3.177   0.853  -7.386
  254   3HD1  LEU  33          3HD1      LEU  33  -2.604   0.607  -5.741
  255   1HD2  LEU  33          1HD2      LEU  33  -4.337  -1.969  -7.691
  256   2HD2  LEU  33          2HD2      LEU  33  -2.888  -2.779  -8.281
  257   3HD2  LEU  33          3HD2      LEU  33  -3.344  -1.202  -8.931
  258    H    ARG  34           H        ARG  34   0.642   1.443  -7.585
  259    HA   ARG  34           HA       ARG  34   1.087   3.140  -5.340
  260   1HB   ARG  34          2HB       ARG  34   2.578   2.990  -7.303
  261   2HB   ARG  34          1HB       ARG  34   1.296   3.569  -8.329
  262   1HG   ARG  34          2HG       ARG  34   2.584   5.215  -6.148
  263   2HG   ARG  34          1HG       ARG  34   3.133   5.192  -7.817
  264   1HD   ARG  34          2HD       ARG  34   0.746   5.902  -8.421
  265   2HD   ARG  34          1HD       ARG  34   0.550   6.193  -6.690
  266    HE   ARG  34           HE       ARG  34   2.848   7.495  -7.535
  267   1HH1  ARG  34          1HH1      ARG  34  -0.679   7.729  -8.035
  268   2HH1  ARG  34          2HH1      ARG  34  -0.600   9.430  -8.267
  269   1HH2  ARG  34          1HH2      ARG  34   2.832   9.915  -7.919
  270   2HH2  ARG  34          2HH2      ARG  34   1.290  10.590  -8.171
  271    H    PHE  35           H        PHE  35   0.093   4.725  -4.799
  272    HA   PHE  35           HA       PHE  35  -2.348   5.215  -6.041
  273   1HB   PHE  35          2HB       PHE  35  -3.587   5.717  -3.857
  274   2HB   PHE  35          1HB       PHE  35  -2.957   4.096  -4.056
  275    HD1  PHE  35           1HD      PHE  35  -0.487   3.797  -2.945
  276    HD2  PHE  35           2HD      PHE  35  -3.378   6.703  -1.828
  277    HE1  PHE  35           1HE      PHE  35   0.515   3.939  -0.707
  278    HE2  PHE  35           2HE      PHE  35  -2.366   6.854   0.396
  279    HZ   PHE  35           HZ       PHE  35  -0.423   5.473   0.965
  280    H    ASP  36           H        ASP  36  -3.106   7.868  -5.159
  281    HA   ASP  36           HA       ASP  36  -0.652   9.163  -4.996
  282   1HB   ASP  36          2HB       ASP  36  -2.164  10.004  -6.723
  283   2HB   ASP  36          1HB       ASP  36  -3.476  10.147  -5.566
  284    H    TYR  37           H        TYR  37  -0.025   9.752  -2.967
  285    HA   TYR  37           HA       TYR  37  -2.010   9.920  -0.810
  286   1HB   TYR  37          2HB       TYR  37  -0.251   8.130  -0.762
  287   2HB   TYR  37          1HB       TYR  37   0.966   9.382  -0.812
  288    HD1  TYR  37           1HD      TYR  37   1.692  10.460   1.203
  289    HD2  TYR  37           2HD      TYR  37  -1.847   8.107   1.238
  290    HE1  TYR  37           1HE      TYR  37   1.594  10.654   3.647
  291    HE2  TYR  37           2HE      TYR  37  -1.958   8.294   3.678
  292    HH   TYR  37           HH       TYR  37  -0.085  10.492   5.443
  293    H    THR  38           H        THR  38  -2.058  11.936   0.393
  294    HA   THR  38           HA       THR  38  -0.562  13.764  -1.134
  295    HB   THR  38           HB       THR  38  -2.150  15.298   0.199
  296    HG1  THR  38           1HG      THR  38  -3.821  13.103   0.140
  297   1HG2  THR  38          1HG2      THR  38  -3.830  14.902  -1.528
  298   2HG2  THR  38          2HG2      THR  38  -3.101  13.340  -1.897
  299   3HG2  THR  38          3HG2      THR  38  -2.211  14.829  -2.222
  300    H    GLY  39           H        GLY  39  -0.837  13.143   2.406
  301   1HA   GLY  39          2HA       GLY  39   1.592  12.962   3.303
  302   2HA   GLY  39          1HA       GLY  39   1.764  14.538   2.544
  303    H    GLN  40           H        GLN  40  -1.351  14.699   3.625
  304    HA   GLN  40           HA       GLN  40  -0.639  14.759   6.341
  305   1HB   GLN  40          2HB       GLN  40  -0.618  17.108   5.635
  306   2HB   GLN  40          1HB       GLN  40  -2.174  16.921   4.843
  307   1HG   GLN  40          2HG       GLN  40  -2.440  18.122   6.926
  308   2HG   GLN  40          1HG       GLN  40  -3.241  16.561   7.016
  309   1HE2  GLN  40          1HE2      GLN  40  -2.366  18.287   9.155
  310   2HE2  GLN  40          2HE2      GLN  40  -1.322  17.350  10.149
  311    H    GLY  41           H        GLY  41  -2.375  13.329   7.301
  312   1HA   GLY  41          2HA       GLY  41  -4.665  12.924   7.591
  313   2HA   GLY  41          1HA       GLY  41  -4.977  13.841   6.139
  314    H    GLY  42           H        GLY  42  -2.997  10.858   6.593
  315   1HA   GLY  42          2HA       GLY  42  -4.650   9.734   4.414
  316   2HA   GLY  42          1HA       GLY  42  -2.923   9.460   4.566
  317    H    ASN  43           H        ASN  43  -3.134   7.181   4.561
  318    HA   ASN  43           HA       ASN  43  -4.563   5.712   6.702
  319   1HB   ASN  43          2HB       ASN  43  -4.831   4.061   4.994
  320   2HB   ASN  43          1HB       ASN  43  -5.509   5.549   4.350
  321   1HD2  ASN  43          1HD2      ASN  43  -4.552   3.237   2.902
  322   2HD2  ASN  43          2HD2      ASN  43  -3.218   3.781   1.920
  323    H    GLU  44           H        GLU  44  -3.577   3.746   7.176
  324    HA   GLU  44           HA       GLU  44  -0.757   4.021   7.716
  325   1HB   GLU  44          2HB       GLU  44  -2.700   1.807   8.352
  326   2HB   GLU  44          1HB       GLU  44  -1.085   2.012   9.009
  327   1HG   GLU  44          2HG       GLU  44  -3.460   3.793   9.456
  328   2HG   GLU  44          1HG       GLU  44  -2.698   2.723  10.632
  329    H    ASN  45           H        ASN  45  -2.717   2.420   5.390
  330    HA   ASN  45           HA       ASN  45  -0.644   0.540   4.562
  331   1HB   ASN  45          2HB       ASN  45  -3.096  -0.055   4.381
  332   2HB   ASN  45          1HB       ASN  45  -3.328   1.320   3.323
  333   1HD2  ASN  45          1HD2      ASN  45  -4.289  -0.294   1.982
  334   2HD2  ASN  45          2HD2      ASN  45  -3.318  -1.241   0.917
  335    H    ASN  46           H        ASN  46   0.889   1.841   4.368
  336    HA   ASN  46           HA       ASN  46   0.961   3.649   2.082
  337   1HB   ASN  46          2HB       ASN  46   0.350   4.945   4.106
  338   2HB   ASN  46          1HB       ASN  46   1.796   4.347   4.898
  339   1HD2  ASN  46          1HD2      ASN  46   1.012   7.001   4.449
  340   2HD2  ASN  46          2HD2      ASN  46   2.241   7.774   3.528
  341    H    PHE  47           H        PHE  47   2.561   2.652   0.952
  342    HA   PHE  47           HA       PHE  47   4.869   1.995   2.514
  343   1HB   PHE  47          2HB       PHE  47   3.926   0.783  -0.075
  344   2HB   PHE  47          1HB       PHE  47   5.478   0.402   0.667
  345    HD1  PHE  47           1HD      PHE  47   5.485  -0.615   2.968
  346    HD2  PHE  47           2HD      PHE  47   1.937  -0.227   0.659
  347    HE1  PHE  47           1HE      PHE  47   4.376  -2.285   4.385
  348    HE2  PHE  47           2HE      PHE  47   0.825  -1.897   2.075
  349    HZ   PHE  47           HZ       PHE  47   2.044  -2.926   3.938
  350    H    ARG  48           H        ARG  48   6.816   2.751   1.662
  351    HA   ARG  48           HA       ARG  48   6.749   4.923  -0.396
  352   1HB   ARG  48          2HB       ARG  48   7.684   5.462   1.868
  353   2HB   ARG  48          1HB       ARG  48   8.922   4.243   1.587
  354   1HG   ARG  48          2HG       ARG  48  10.032   6.156   0.952
  355   2HG   ARG  48          1HG       ARG  48   9.400   5.592  -0.586
  356   1HD   ARG  48          2HD       ARG  48   8.859   7.883  -0.658
  357   2HD   ARG  48          1HD       ARG  48   7.379   7.217  -0.029
  358    HE   ARG  48           HE       ARG  48   8.578   7.699   2.236
  359   1HH1  ARG  48          1HH1      ARG  48   8.551   9.686  -0.677
  360   2HH1  ARG  48          2HH1      ARG  48   8.782  11.163   0.128
  361   1HH2  ARG  48          1HH2      ARG  48   8.911   9.744   3.402
  362   2HH2  ARG  48          2HH2      ARG  48   8.973  11.187   2.533
  363    H    ARG  49           H        ARG  49   7.689   1.512   0.002
  364    HA   ARG  49           HA       ARG  49   9.400   1.920  -2.224
  365   1HB   ARG  49          2HB       ARG  49  10.750   1.769  -0.186
  366   2HB   ARG  49          1HB       ARG  49   9.966   0.258   0.244
  367   1HG   ARG  49          2HG       ARG  49  11.010  -0.858  -1.618
  368   2HG   ARG  49          1HG       ARG  49  11.698   0.664  -2.186
  369   1HD   ARG  49          2HD       ARG  49  12.944   0.842  -0.050
  370   2HD   ARG  49          1HD       ARG  49  12.318  -0.736   0.415
  371    HE   ARG  49           HE       ARG  49  13.500  -1.512  -1.731
  372   1HH1  ARG  49          1HH1      ARG  49  14.714   1.071   0.383
  373   2HH1  ARG  49          2HH1      ARG  49  16.329   0.903  -0.092
  374   1HH2  ARG  49          1HH2      ARG  49  15.707  -1.825  -2.317
  375   2HH2  ARG  49          2HH2      ARG  49  16.923  -0.810  -1.671
  376    H    THR  50           H        THR  50   9.185   0.269  -3.735
  377    HA   THR  50           HA       THR  50   6.777  -1.109  -3.900
  378    HB   THR  50           HB       THR  50   9.232  -1.627  -5.576
  379    HG1  THR  50           1HG      THR  50   7.381   0.568  -5.755
  380   1HG2  THR  50          1HG2      THR  50   7.198  -2.940  -6.090
  381   2HG2  THR  50          2HG2      THR  50   7.565  -1.794  -7.376
  382   3HG2  THR  50          3HG2      THR  50   6.275  -1.445  -6.224
  383    H    TYR  51           H        TYR  51   9.960  -2.252  -2.842
  384    HA   TYR  51           HA       TYR  51   9.140  -4.985  -2.889
  385   1HB   TYR  51          2HB       TYR  51  11.512  -4.519  -3.076
  386   2HB   TYR  51          1HB       TYR  51  11.514  -3.669  -1.536
  387    HD1  TYR  51           1HD      TYR  51  12.259  -4.800   0.338
  388    HD2  TYR  51           2HD      TYR  51  10.740  -7.049  -2.937
  389    HE1  TYR  51           1HE      TYR  51  12.823  -6.881   1.511
  390    HE2  TYR  51           2HE      TYR  51  11.301  -9.134  -1.776
  391    HH   TYR  51           HH       TYR  51  12.838  -9.880  -0.038
  392    H    ASP  52           H        ASP  52   9.331  -2.462  -0.467
  393    HA   ASP  52           HA       ASP  52   8.758  -4.065   1.812
  394   1HB   ASP  52          2HB       ASP  52   8.223  -1.141   1.314
  395   2HB   ASP  52          1HB       ASP  52   7.681  -1.915   2.798
  396    H    CYS  53           H        CYS  53   6.451  -2.436  -0.301
  397    HA   CYS  53           HA       CYS  53   4.127  -3.344   1.046
  398   1HB   CYS  53          2HB       CYS  53   2.914  -3.056  -1.087
  399   2HB   CYS  53          1HB       CYS  53   3.897  -1.676  -0.645
  400    H    GLN  54           H        GLN  54   5.644  -4.564  -1.463
  401    HA   GLN  54           HA       GLN  54   4.308  -7.076  -1.887
  402   1HB   GLN  54          2HB       GLN  54   5.435  -6.305  -3.749
  403   2HB   GLN  54          1HB       GLN  54   7.037  -6.470  -2.987
  404   1HG   GLN  54          2HG       GLN  54   6.808  -8.861  -3.093
  405   2HG   GLN  54          1HG       GLN  54   5.137  -8.712  -3.643
  406   1HE2  GLN  54          1HE2      GLN  54   4.733  -8.034  -5.724
  407   2HE2  GLN  54          2HE2      GLN  54   5.923  -8.079  -6.970
  408    H    ARG  55           H        ARG  55   7.197  -6.639  -0.152
  409    HA   ARG  55           HA       ARG  55   7.551  -9.417   0.724
  410   1HB   ARG  55          2HB       ARG  55   9.298  -7.572   0.824
  411   2HB   ARG  55          1HB       ARG  55   8.321  -6.815   2.063
  412   1HG   ARG  55          2HG       ARG  55   8.646  -8.850   3.461
  413   2HG   ARG  55          1HG       ARG  55   9.773  -9.436   2.229
  414   1HD   ARG  55          2HD       ARG  55  10.995  -7.270   2.450
  415   2HD   ARG  55          1HD       ARG  55   9.977  -6.914   3.835
  416    HE   ARG  55           HE       ARG  55  11.197  -9.398   4.226
  417   1HH1  ARG  55          1HH1      ARG  55  11.924  -5.944   4.180
  418   2HH1  ARG  55          2HH1      ARG  55  13.350  -6.061   5.094
  419   1HH2  ARG  55          1HH2      ARG  55  13.155  -9.610   5.407
  420   2HH2  ARG  55          2HH2      ARG  55  14.107  -8.235   5.809
  421    H    THR  56           H        THR  56   5.976  -6.566   2.473
  422    HA   THR  56           HA       THR  56   5.354  -8.543   4.336
  423    HB   THR  56           HB       THR  56   5.701  -6.236   5.070
  424    HG1  THR  56           1HG      THR  56   3.647  -7.803   5.803
  425   1HG2  THR  56          1HG2      THR  56   3.067  -5.650   3.713
  426   2HG2  THR  56          2HG2      THR  56   4.649  -5.059   3.205
  427   3HG2  THR  56          3HG2      THR  56   3.965  -4.536   4.747
  428    H    CYS  57           H        CYS  57   3.473  -7.315   1.622
  429    HA   CYS  57           HA       CYS  57   1.159  -8.738   2.693
  430   1HB   CYS  57          2HB       CYS  57   1.247  -6.750   0.446
  431   2HB   CYS  57          1HB       CYS  57  -0.185  -7.452   1.181
  432    H    LEU  58           H        LEU  58   3.499  -9.262   0.204
  433    HA   LEU  58           HA       LEU  58   1.568 -10.982  -1.119
  434   1HB   LEU  58          2HB       LEU  58   2.771  -9.421  -2.573
  435   2HB   LEU  58          1HB       LEU  58   4.290 -10.158  -2.113
  436    HG   LEU  58           HG       LEU  58   3.497 -12.297  -3.137
  437   1HD1  LEU  58          1HD1      LEU  58   1.604 -12.227  -4.671
  438   2HD1  LEU  58          2HD1      LEU  58   1.241 -10.585  -4.147
  439   3HD1  LEU  58          3HD1      LEU  58   1.114 -11.925  -3.003
  440   1HD2  LEU  58          1HD2      LEU  58   4.969 -10.791  -4.358
  441   2HD2  LEU  58          2HD2      LEU  58   3.571  -9.904  -4.967
  442   3HD2  LEU  58          3HD2      LEU  58   3.835 -11.582  -5.452
  443    H    TYR  59           H        TYR  59   4.316 -11.159   0.933
  444    HA   TYR  59           HA       TYR  59   4.810 -13.875   0.116
  445   1HB   TYR  59          2HB       TYR  59   6.458 -12.020   1.842
  446   2HB   TYR  59          1HB       TYR  59   6.827 -13.727   1.651
  447    HD1  TYR  59           1HD      TYR  59   8.011 -14.494  -0.206
  448    HD2  TYR  59           2HD      TYR  59   6.486 -10.539  -0.232
  449    HE1  TYR  59           1HE      TYR  59   9.271 -14.032  -2.253
  450    HE2  TYR  59           2HE      TYR  59   7.744 -10.057  -2.278
  451    HH   TYR  59           HH       TYR  59   9.592 -10.841  -3.541
  452    H    THR  60           H        THR  60   2.827 -14.700   1.089
  453    HA   THR  60           HA       THR  60   2.940 -15.020   3.863
  454    HB   THR  60           HB       THR  60   1.811 -12.840   3.724
  455    HG1  THR  60           1HG      THR  60  -0.467 -13.892   4.309
  456   1HG2  THR  60          1HG2      THR  60  -0.347 -12.570   2.541
  457   2HG2  THR  60          2HG2      THR  60  -0.161 -14.190   1.870
  458   3HG2  THR  60          3HG2      THR  60   0.980 -12.921   1.430
  Start of MODEL   20
    1   1H    LYS   1          1HT       LYS   1  -3.450 -16.275  10.471
    2   2H    LYS   1          2HT       LYS   1  -3.871 -17.189   9.117
    3   3H    LYS   1          3HT       LYS   1  -5.071 -16.436  10.011
    4    HA   LYS   1           HA       LYS   1  -4.296 -14.278   9.397
    5   1HB   LYS   1          2HB       LYS   1  -2.097 -15.816   8.117
    6   2HB   LYS   1          1HB       LYS   1  -2.623 -14.284   7.422
    7   1HG   LYS   1          2HG       LYS   1  -1.627 -14.734  10.233
    8   2HG   LYS   1          1HG       LYS   1  -0.784 -13.885   8.928
    9   1HD   LYS   1          2HD       LYS   1  -2.587 -12.222   8.844
   10   2HD   LYS   1          1HD       LYS   1  -3.426 -13.062  10.147
   11   1HE   LYS   1          2HE       LYS   1  -1.452 -12.627  11.600
   12   2HE   LYS   1          1HE       LYS   1  -0.758 -11.669  10.291
   13   1HZ   LYS   1          1HZ       LYS   1  -2.747 -10.227  10.405
   14   2HZ   LYS   1          2HZ       LYS   1  -1.887 -10.222  11.845
   15   3HZ   LYS   1          3HZ       LYS   1  -3.315 -11.113  11.709
   16    H    ASP   2           H        ASP   2  -5.891 -13.661   8.514
   17    HA   ASP   2           HA       ASP   2  -6.658 -14.562   5.818
   18   1HB   ASP   2          2HB       ASP   2  -8.291 -15.381   7.455
   19   2HB   ASP   2          1HB       ASP   2  -8.454 -13.760   8.119
   20    H    ARG   3           H        ARG   3  -5.840 -12.829   4.734
   21    HA   ARG   3           HA       ARG   3  -5.402 -10.802   3.987
   22   1HB   ARG   3          2HB       ARG   3  -7.571  -9.870   5.886
   23   2HB   ARG   3          1HB       ARG   3  -6.617  -8.731   4.954
   24   1HG   ARG   3          2HG       ARG   3  -8.530  -8.975   3.697
   25   2HG   ARG   3          1HG       ARG   3  -7.402 -10.079   2.917
   26   1HD   ARG   3          2HD       ARG   3  -9.552 -11.130   3.092
   27   2HD   ARG   3          1HD       ARG   3  -8.432 -11.936   4.190
   28    HE   ARG   3           HE       ARG   3  -9.717 -11.332   5.915
   29   1HH1  ARG   3          1HH1      ARG   3 -10.724  -9.338   3.124
   30   2HH1  ARG   3          2HH1      ARG   3 -11.909  -8.471   3.966
   31   1HH2  ARG   3          1HH2      ARG   3 -11.379 -10.131   7.084
   32   2HH2  ARG   3          2HH2      ARG   3 -12.314  -8.964   6.265
   33    HA   PRO   4           HA       PRO   4  -1.891  -9.952   6.262
   34   1HB   PRO   4          2HB       PRO   4  -2.056  -7.282   4.896
   35   2HB   PRO   4          1HB       PRO   4  -0.668  -8.375   5.044
   36   1HG   PRO   4          2HG       PRO   4  -2.031  -8.256   2.794
   37   2HG   PRO   4          1HG       PRO   4  -1.521  -9.837   3.437
   38   1HD   PRO   4          2HD       PRO   4  -4.223  -8.554   3.489
   39   2HD   PRO   4          1HD       PRO   4  -3.789 -10.254   3.236
   40    H    SER   5           H        SER   5  -1.249  -9.069   8.078
   41    HA   SER   5           HA       SER   5  -2.642  -7.844   9.843
   42   1HB   SER   5          2HB       SER   5   0.260  -7.189   9.430
   43   2HB   SER   5          1HB       SER   5  -0.609  -7.100  10.966
   44    HG   SER   5           HG       SER   5   0.378  -9.033  10.904
   45    H    LEU   6           H        LEU   6  -0.472  -6.201   7.587
   46    HA   LEU   6           HA       LEU   6  -1.874  -3.764   8.254
   47   1HB   LEU   6          2HB       LEU   6   0.141  -2.459   7.463
   48   2HB   LEU   6          1HB       LEU   6   0.243  -3.318   8.976
   49    HG   LEU   6           HG       LEU   6   1.537  -5.105   7.737
   50   1HD1  LEU   6          1HD1      LEU   6   0.869  -4.554   5.487
   51   2HD1  LEU   6          2HD1      LEU   6   2.622  -4.417   5.667
   52   3HD1  LEU   6          3HD1      LEU   6   1.619  -2.965   5.637
   53   1HD2  LEU   6          1HD2      LEU   6   2.581  -3.484   9.206
   54   2HD2  LEU   6          2HD2      LEU   6   2.680  -2.325   7.880
   55   3HD2  LEU   6          3HD2      LEU   6   3.612  -3.823   7.818
   56    H    CYS   7           H        CYS   7  -1.819  -5.863   5.913
   57    HA   CYS   7           HA       CYS   7  -2.793  -3.752   4.204
   58   1HB   CYS   7          2HB       CYS   7  -1.299  -6.147   3.127
   59   2HB   CYS   7          1HB       CYS   7  -2.326  -5.161   2.088
   60    H    ASP   8           H        ASP   8  -4.196  -5.060   6.021
   61    HA   ASP   8           HA       ASP   8  -6.637  -5.539   4.428
   62   1HB   ASP   8          2HB       ASP   8  -6.144  -6.996   6.457
   63   2HB   ASP   8          1HB       ASP   8  -6.174  -5.550   7.451
   64    H    LEU   9           H        LEU   9  -5.186  -3.136   4.266
   65    HA   LEU   9           HA       LEU   9  -5.421  -1.267   6.326
   66   1HB   LEU   9          2HB       LEU   9  -4.050   0.023   4.922
   67   2HB   LEU   9          1HB       LEU   9  -3.487  -1.625   4.758
   68    HG   LEU   9           HG       LEU   9  -5.367  -0.402   2.717
   69   1HD1  LEU   9          1HD1      LEU   9  -3.453   1.043   2.824
   70   2HD1  LEU   9          2HD1      LEU   9  -3.446   0.106   1.331
   71   3HD1  LEU   9          3HD1      LEU   9  -2.376  -0.340   2.661
   72   1HD2  LEU   9          1HD2      LEU   9  -4.421  -2.066   1.208
   73   2HD2  LEU   9          2HD2      LEU   9  -5.106  -2.839   2.637
   74   3HD2  LEU   9          3HD2      LEU   9  -3.361  -2.640   2.491
   75    HA   PRO  10           HA       PRO  10  -8.661   0.831   4.215
   76   1HB   PRO  10          2HB       PRO  10  -7.639   3.354   5.310
   77   2HB   PRO  10          1HB       PRO  10  -9.178   2.552   5.634
   78   1HG   PRO  10          2HG       PRO  10  -7.178   2.714   7.466
   79   2HG   PRO  10          1HG       PRO  10  -8.342   1.376   7.412
   80   1HD   PRO  10          2HD       PRO  10  -5.536   1.491   6.397
   81   2HD   PRO  10          1HD       PRO  10  -6.392   0.163   7.214
   82    H    ALA  11           H        ALA  11  -8.167   0.808   2.132
   83    HA   ALA  11           HA       ALA  11  -5.722   2.155   0.906
   84   1HB   ALA  11          1HB       ALA  11  -8.317   0.989  -0.280
   85   2HB   ALA  11          2HB       ALA  11  -6.743   0.192  -0.366
   86   3HB   ALA  11          3HB       ALA  11  -7.015   1.698  -1.237
   87    H    ASP  12           H        ASP  12  -5.700   3.908   1.721
   88    HA   ASP  12           HA       ASP  12  -7.870   5.789   1.138
   89   1HB   ASP  12          2HB       ASP  12  -8.056   5.296   3.537
   90   2HB   ASP  12          1HB       ASP  12  -6.357   5.699   3.753
   91    H    SER  13           H        SER  13  -7.582   7.706   0.410
   92    HA   SER  13           HA       SER  13  -4.895   8.093  -0.769
   93   1HB   SER  13          2HB       SER  13  -6.082   9.601  -2.261
   94   2HB   SER  13          1HB       SER  13  -6.805   7.991  -2.295
   95    HG   SER  13           HG       SER  13  -7.762  10.383  -1.404
   96    H    GLY  14           H        GLY  14  -6.798   9.471   1.708
   97   1HA   GLY  14          2HA       GLY  14  -5.796  10.853   3.301
   98   2HA   GLY  14          1HA       GLY  14  -4.539  11.234   2.141
   99    H    SER  15           H        SER  15  -5.401  13.269   3.529
  100    HA   SER  15           HA       SER  15  -7.590  14.619   2.081
  101   1HB   SER  15          2HB       SER  15  -6.825  14.841   4.994
  102   2HB   SER  15          1HB       SER  15  -8.144  15.679   4.185
  103    HG   SER  15           HG       SER  15  -8.646  13.274   3.593
  104    H    GLY  16           H        GLY  16  -4.545  14.635   1.710
  105   1HA   GLY  16          2HA       GLY  16  -3.637  16.989   3.079
  106   2HA   GLY  16          1HA       GLY  16  -2.688  15.877   2.123
  107    H    THR  17           H        THR  17  -2.107  18.175   1.897
  108    HA   THR  17           HA       THR  17  -3.303  19.550  -0.527
  109    HB   THR  17           HB       THR  17  -2.946  20.877   1.653
  110    HG1  THR  17           1HG      THR  17  -1.872  22.604   0.477
  111   1HG2  THR  17          1HG2      THR  17  -0.657  21.656   2.093
  112   2HG2  THR  17          2HG2      THR  17  -0.048  20.578   0.837
  113   3HG2  THR  17          3HG2      THR  17  -0.780  19.906   2.296
  114    H    LYS  18           H        LYS  18  -0.792  17.347   0.115
  115    HA   LYS  18           HA       LYS  18   1.211  18.402  -1.775
  116   1HB   LYS  18          2HB       LYS  18   1.809  17.923   0.612
  117   2HB   LYS  18          1HB       LYS  18   1.054  16.356   0.466
  118   1HG   LYS  18          2HG       LYS  18   2.764  15.818  -1.308
  119   2HG   LYS  18          1HG       LYS  18   3.569  17.327  -0.873
  120   1HD   LYS  18          2HD       LYS  18   3.883  16.559   1.394
  121   2HD   LYS  18          1HD       LYS  18   2.947  15.097   1.063
  122   1HE   LYS  18          2HE       LYS  18   4.644  14.449  -0.614
  123   2HE   LYS  18          1HE       LYS  18   5.589  15.868  -0.168
  124   1HZ   LYS  18          1HZ       LYS  18   5.943  14.986   2.011
  125   2HZ   LYS  18          2HZ       LYS  18   6.299  13.747   0.922
  126   3HZ   LYS  18          3HZ       LYS  18   4.856  13.725   1.776
  127    H    ALA  19           H        ALA  19   1.956  16.879  -3.172
  128    HA   ALA  19           HA       ALA  19   0.267  14.483  -3.669
  129   1HB   ALA  19          1HB       ALA  19   0.153  16.119  -5.525
  130   2HB   ALA  19          2HB       ALA  19   0.967  14.632  -6.001
  131   3HB   ALA  19          3HB       ALA  19   1.910  16.079  -5.641
  132    H    GLU  20           H        GLU  20   1.221  12.659  -3.289
  133    HA   GLU  20           HA       GLU  20   4.112  12.620  -3.313
  134   1HB   GLU  20          2HB       GLU  20   3.431  13.186  -1.066
  135   2HB   GLU  20          1HB       GLU  20   2.345  11.805  -1.017
  136   1HG   GLU  20          2HG       GLU  20   4.274  11.305   0.247
  137   2HG   GLU  20          1HG       GLU  20   4.305  10.334  -1.221
  138    H    LYS  21           H        LYS  21   4.860  10.665  -4.094
  139    HA   LYS  21           HA       LYS  21   2.896   8.733  -5.118
  140   1HB   LYS  21          2HB       LYS  21   4.540   9.905  -6.663
  141   2HB   LYS  21          1HB       LYS  21   5.835   9.284  -5.677
  142   1HG   LYS  21          2HG       LYS  21   3.923   7.479  -7.163
  143   2HG   LYS  21          1HG       LYS  21   5.360   8.153  -7.918
  144   1HD   LYS  21          2HD       LYS  21   6.712   7.054  -6.093
  145   2HD   LYS  21          1HD       LYS  21   5.226   6.265  -5.561
  146   1HE   LYS  21          2HE       LYS  21   6.504   4.762  -6.991
  147   2HE   LYS  21          1HE       LYS  21   5.001   5.228  -7.788
  148   1HZ   LYS  21          1HZ       LYS  21   7.669   6.427  -8.323
  149   2HZ   LYS  21          2HZ       LYS  21   6.245   6.836  -9.123
  150   3HZ   LYS  21          3HZ       LYS  21   6.902   5.311  -9.325
  151    H    ARG  22           H        ARG  22   2.327   7.312  -3.569
  152    HA   ARG  22           HA       ARG  22   4.637   6.182  -2.429
  153   1HB   ARG  22          2HB       ARG  22   1.881   6.604  -1.342
  154   2HB   ARG  22          1HB       ARG  22   3.086   5.611  -0.534
  155   1HG   ARG  22          2HG       ARG  22   3.488   8.506  -1.266
  156   2HG   ARG  22          1HG       ARG  22   2.928   7.942   0.309
  157   1HD   ARG  22          2HD       ARG  22   4.984   6.782   0.698
  158   2HD   ARG  22          1HD       ARG  22   5.526   7.079  -0.957
  159    HE   ARG  22           HE       ARG  22   5.661   9.414  -0.403
  160   1HH1  ARG  22          1HH1      ARG  22   5.380   7.307   2.453
  161   2HH1  ARG  22          2HH1      ARG  22   6.195   8.394   3.481
  162   1HH2  ARG  22          1HH2      ARG  22   6.732  10.909   1.026
  163   2HH2  ARG  22          2HH2      ARG  22   7.021  10.482   2.629
  164    H    ILE  23           H        ILE  23   3.575   3.652  -1.508
  165    HA   ILE  23           HA       ILE  23   1.743   2.806  -3.597
  166    HB   ILE  23           HB       ILE  23   4.051   2.217  -4.399
  167   1HG1  ILE  23          2HG1      ILE  23   2.529  -0.257  -3.586
  168   2HG1  ILE  23          1HG1      ILE  23   2.126   0.756  -4.972
  169   1HG2  ILE  23          1HG2      ILE  23   4.191   0.518  -1.933
  170   2HG2  ILE  23          2HG2      ILE  23   5.210   1.928  -2.285
  171   3HG2  ILE  23          3HG2      ILE  23   5.325   0.457  -3.268
  172   1HD1  ILE  23          1HD1      ILE  23   3.368  -1.225  -5.650
  173   2HD1  ILE  23          2HD1      ILE  23   4.697  -0.765  -4.584
  174   3HD1  ILE  23          3HD1      ILE  23   4.290   0.246  -5.975
  175    H    TYR  24           H        TYR  24   0.376   1.064  -2.927
  176    HA   TYR  24           HA       TYR  24   0.910  -0.096  -0.382
  177   1HB   TYR  24          2HB       TYR  24  -1.339   0.313   0.563
  178   2HB   TYR  24          1HB       TYR  24  -0.448   1.792   0.351
  179    HD1  TYR  24           1HD      TYR  24  -2.540   2.978   0.733
  180    HD2  TYR  24           2HD      TYR  24  -2.149   0.382  -2.612
  181    HE1  TYR  24           1HE      TYR  24  -4.541   3.974  -0.261
  182    HE2  TYR  24           2HE      TYR  24  -4.155   1.386  -3.621
  183    HH   TYR  24           HH       TYR  24  -5.540   4.268  -2.547
  184    H    TYR  25           H        TYR  25  -1.012  -1.885   0.044
  185    HA   TYR  25           HA       TYR  25  -0.671  -3.423  -2.175
  186   1HB   TYR  25          2HB       TYR  25  -0.365  -4.113   0.054
  187   2HB   TYR  25          1HB       TYR  25  -2.048  -3.814   0.431
  188    HD1  TYR  25           1HD      TYR  25   0.109  -5.844  -1.815
  189    HD2  TYR  25           2HD      TYR  25  -3.526  -5.600   0.372
  190    HE1  TYR  25           1HE      TYR  25  -0.312  -8.220  -2.258
  191    HE2  TYR  25           2HE      TYR  25  -3.962  -7.971  -0.078
  192    HH   TYR  25           HH       TYR  25  -1.557 -10.038  -1.273
  193    H    ASN  26           H        ASN  26  -2.368  -4.035  -3.620
  194    HA   ASN  26           HA       ASN  26  -5.126  -3.188  -3.062
  195   1HB   ASN  26          2HB       ASN  26  -4.168  -2.465  -5.257
  196   2HB   ASN  26          1HB       ASN  26  -3.858  -4.155  -5.643
  197   1HD2  ASN  26          1HD2      ASN  26  -6.293  -1.680  -5.313
  198   2HD2  ASN  26          2HD2      ASN  26  -7.561  -2.581  -6.041
  199    H    SER  27           H        SER  27  -6.425  -4.510  -2.590
  200    HA   SER  27           HA       SER  27  -5.407  -6.984  -1.863
  201   1HB   SER  27          2HB       SER  27  -8.266  -6.112  -1.429
  202   2HB   SER  27          1HB       SER  27  -7.524  -7.522  -0.670
  203    HG   SER  27           HG       SER  27  -6.485  -6.309   0.643
  204    H    ALA  28           H        ALA  28  -7.771  -6.053  -4.263
  205    HA   ALA  28           HA       ALA  28  -8.858  -8.637  -4.754
  206   1HB   ALA  28          1HB       ALA  28  -9.948  -7.544  -6.658
  207   2HB   ALA  28          2HB       ALA  28  -8.963  -6.108  -6.383
  208   3HB   ALA  28          3HB       ALA  28 -10.131  -6.622  -5.164
  209    H    ARG  29           H        ARG  29  -6.562  -6.556  -6.218
  210    HA   ARG  29           HA       ARG  29  -5.836  -8.427  -8.358
  211   1HB   ARG  29          2HB       ARG  29  -4.627  -5.783  -7.609
  212   2HB   ARG  29          1HB       ARG  29  -3.817  -6.853  -8.726
  213   1HG   ARG  29          2HG       ARG  29  -4.993  -5.131  -9.911
  214   2HG   ARG  29          1HG       ARG  29  -5.746  -6.687 -10.242
  215   1HD   ARG  29          2HD       ARG  29  -7.641  -6.152  -9.046
  216   2HD   ARG  29          1HD       ARG  29  -6.807  -4.932  -8.075
  217    HE   ARG  29           HE       ARG  29  -6.638  -4.049 -10.629
  218   1HH1  ARG  29          1HH1      ARG  29  -9.419  -5.056  -8.750
  219   2HH1  ARG  29          2HH1      ARG  29 -10.391  -3.698  -9.103
  220   1HH2  ARG  29          1HH2      ARG  29  -7.976  -2.244 -11.276
  221   2HH2  ARG  29          2HH2      ARG  29  -9.529  -2.047 -10.625
  222    H    LYS  30           H        LYS  30  -5.074  -8.154  -5.184
  223    HA   LYS  30           HA       LYS  30  -3.380  -8.721  -3.759
  224   1HB   LYS  30          2HB       LYS  30  -4.172 -10.959  -4.460
  225   2HB   LYS  30          1HB       LYS  30  -3.086 -10.933  -5.835
  226   1HG   LYS  30          2HG       LYS  30  -1.167 -11.071  -4.350
  227   2HG   LYS  30          1HG       LYS  30  -2.229 -10.990  -2.944
  228   1HD   LYS  30          2HD       LYS  30  -3.198 -13.108  -3.486
  229   2HD   LYS  30          1HD       LYS  30  -2.357 -13.152  -5.038
  230   1HE   LYS  30          2HE       LYS  30  -0.221 -13.275  -3.915
  231   2HE   LYS  30          1HE       LYS  30  -1.006 -13.134  -2.344
  232   1HZ   LYS  30          1HZ       LYS  30  -0.361 -15.422  -3.068
  233   2HZ   LYS  30          2HZ       LYS  30  -1.628 -15.363  -4.208
  234   3HZ   LYS  30          3HZ       LYS  30  -1.946 -15.223  -2.555
  235    H    GLN  31           H        GLN  31  -2.731  -6.912  -5.335
  236    HA   GLN  31           HA       GLN  31   0.311  -6.936  -5.721
  237   1HB   GLN  31          2HB       GLN  31   0.384  -6.208  -7.885
  238   2HB   GLN  31          1HB       GLN  31  -0.911  -7.376  -7.934
  239   1HG   GLN  31          2HG       GLN  31  -2.555  -5.570  -7.933
  240   2HG   GLN  31          1HG       GLN  31  -1.256  -4.380  -7.836
  241   1HE2  GLN  31          1HE2      GLN  31  -3.251  -4.607  -9.942
  242   2HE2  GLN  31          2HE2      GLN  31  -2.392  -4.946 -11.386
  243    H    CYS  32           H        CYS  32   1.590  -5.051  -5.433
  244    HA   CYS  32           HA       CYS  32   0.206  -3.308  -3.868
  245   1HB   CYS  32          2HB       CYS  32   3.031  -3.634  -4.817
  246   2HB   CYS  32          1HB       CYS  32   2.516  -2.324  -3.767
  247    H    LEU  33           H        LEU  33  -0.243  -1.118  -4.653
  248    HA   LEU  33           HA       LEU  33   0.800  -0.193  -7.212
  249   1HB   LEU  33          2HB       LEU  33  -1.435   0.301  -8.083
  250   2HB   LEU  33          1HB       LEU  33  -1.103  -1.411  -8.007
  251    HG   LEU  33           HG       LEU  33  -2.559  -1.479  -5.925
  252   1HD1  LEU  33          1HD1      LEU  33  -2.545   0.899  -5.361
  253   2HD1  LEU  33          2HD1      LEU  33  -4.187   0.308  -5.630
  254   3HD1  LEU  33          3HD1      LEU  33  -3.383   1.267  -6.870
  255   1HD2  LEU  33          1HD2      LEU  33  -4.621  -1.487  -7.232
  256   2HD2  LEU  33          2HD2      LEU  33  -3.296  -2.270  -8.091
  257   3HD2  LEU  33          3HD2      LEU  33  -3.793  -0.636  -8.537
  258    H    ARG  34           H        ARG  34   0.680   1.703  -7.668
  259    HA   ARG  34           HA       ARG  34   1.103   3.433  -5.458
  260   1HB   ARG  34          2HB       ARG  34   2.525   3.379  -7.475
  261   2HB   ARG  34          1HB       ARG  34   1.178   3.867  -8.459
  262   1HG   ARG  34          2HG       ARG  34   2.465   5.630  -6.363
  263   2HG   ARG  34          1HG       ARG  34   2.947   5.601  -8.048
  264   1HD   ARG  34          2HD       ARG  34   0.363   6.134  -8.414
  265   2HD   ARG  34          1HD       ARG  34   0.506   6.726  -6.754
  266    HE   ARG  34           HE       ARG  34   2.088   7.717  -9.041
  267   1HH1  ARG  34          1HH1      ARG  34   0.602   8.373  -5.871
  268   2HH1  ARG  34          2HH1      ARG  34   0.935  10.046  -5.958
  269   1HH2  ARG  34          1HH2      ARG  34   2.544   9.971  -9.087
  270   2HH2  ARG  34          2HH2      ARG  34   2.100  10.979  -7.803
  271    H    PHE  35           H        PHE  35   0.034   5.051  -4.908
  272    HA   PHE  35           HA       PHE  35  -2.379   5.299  -6.117
  273   1HB   PHE  35          2HB       PHE  35  -3.647   5.825  -3.889
  274   2HB   PHE  35          1HB       PHE  35  -2.993   4.221  -4.095
  275    HD1  PHE  35           1HD      PHE  35  -3.444   6.788  -1.861
  276    HD2  PHE  35           2HD      PHE  35  -0.438   4.047  -3.116
  277    HE1  PHE  35           1HE      PHE  35  -2.346   6.991   0.318
  278    HE2  PHE  35           2HE      PHE  35   0.664   4.256  -0.934
  279    HZ   PHE  35           HZ       PHE  35  -0.294   5.723   0.790
  280    H    ASP  36           H        ASP  36  -3.285   8.009  -5.165
  281    HA   ASP  36           HA       ASP  36  -0.840   9.459  -5.107
  282   1HB   ASP  36          2HB       ASP  36  -3.615  10.198  -5.985
  283   2HB   ASP  36          1HB       ASP  36  -2.458  11.461  -5.599
  284    H    TYR  37           H        TYR  37  -0.392   9.210  -3.011
  285    HA   TYR  37           HA       TYR  37  -2.209   9.853  -0.856
  286   1HB   TYR  37          2HB       TYR  37  -0.429   8.143  -0.727
  287   2HB   TYR  37          1HB       TYR  37   0.776   9.360  -1.045
  288    HD1  TYR  37           1HD      TYR  37  -1.977   8.612   1.403
  289    HD2  TYR  37           2HD      TYR  37   1.888  10.297   0.819
  290    HE1  TYR  37           1HE      TYR  37  -1.779   8.973   3.828
  291    HE2  TYR  37           2HE      TYR  37   2.093  10.666   3.240
  292    HH   TYR  37           HH       TYR  37   0.751  10.869   5.233
  293    H    THR  38           H        THR  38  -2.495  11.944  -0.008
  294    HA   THR  38           HA       THR  38  -1.024  13.862  -1.441
  295    HB   THR  38           HB       THR  38  -2.934  15.303  -0.450
  296    HG1  THR  38           1HG      THR  38  -4.451  13.028  -0.331
  297   1HG2  THR  38          1HG2      THR  38  -4.453  14.474  -2.206
  298   2HG2  THR  38          2HG2      THR  38  -3.473  13.015  -2.358
  299   3HG2  THR  38          3HG2      THR  38  -2.793  14.582  -2.794
  300    H    GLY  39           H        GLY  39   0.306  12.668   0.703
  301   1HA   GLY  39          2HA       GLY  39   1.638  13.120   2.467
  302   2HA   GLY  39          1HA       GLY  39   1.365  14.785   2.045
  303    H    GLN  40           H        GLN  40  -1.690  14.330   3.080
  304    HA   GLN  40           HA       GLN  40  -0.851  14.323   5.868
  305   1HB   GLN  40          2HB       GLN  40  -1.033  16.666   5.026
  306   2HB   GLN  40          1HB       GLN  40  -2.712  16.360   4.613
  307   1HG   GLN  40          2HG       GLN  40  -2.684  17.536   6.671
  308   2HG   GLN  40          1HG       GLN  40  -3.124  15.860   7.023
  309   1HE2  GLN  40          1HE2      GLN  40  -2.401  16.019   9.151
  310   2HE2  GLN  40          2HE2      GLN  40  -0.723  16.051   9.551
  311    H    GLY  41           H        GLY  41  -2.471  12.973   7.095
  312   1HA   GLY  41          2HA       GLY  41  -4.688  12.600   7.588
  313   2HA   GLY  41          1HA       GLY  41  -5.135  13.432   6.112
  314    H    GLY  42           H        GLY  42  -3.083  10.599   6.579
  315   1HA   GLY  42          2HA       GLY  42  -4.844   9.249   4.681
  316   2HA   GLY  42          1HA       GLY  42  -3.093   9.087   4.690
  317    H    ASN  43           H        ASN  43  -3.083   6.872   4.969
  318    HA   ASN  43           HA       ASN  43  -4.285   5.622   7.330
  319   1HB   ASN  43          2HB       ASN  43  -4.201   3.718   5.911
  320   2HB   ASN  43          1HB       ASN  43  -5.075   4.948   5.013
  321   1HD2  ASN  43          1HD2      ASN  43  -3.647   2.600   4.081
  322   2HD2  ASN  43          2HD2      ASN  43  -2.414   3.165   2.996
  323    H    GLU  44           H        GLU  44  -3.100   3.967   8.014
  324    HA   GLU  44           HA       GLU  44  -0.373   4.672   8.872
  325   1HB   GLU  44          2HB       GLU  44  -2.051   2.233   9.347
  326   2HB   GLU  44          1HB       GLU  44  -0.624   2.750  10.233
  327   1HG   GLU  44          2HG       GLU  44  -3.312   4.105  10.175
  328   2HG   GLU  44          1HG       GLU  44  -2.586   3.230  11.522
  329    H    ASN  45           H        ASN  45  -1.751   2.669   6.435
  330    HA   ASN  45           HA       ASN  45   0.713   1.212   6.146
  331   1HB   ASN  45          2HB       ASN  45  -1.451   0.130   5.701
  332   2HB   ASN  45          1HB       ASN  45  -1.761   1.281   4.407
  333   1HD2  ASN  45          1HD2      ASN  45  -0.134  -1.541   5.338
  334   2HD2  ASN  45          2HD2      ASN  45   0.546  -1.929   3.793
  335    H    ASN  46           H        ASN  46   2.213   3.643   5.294
  336    HA   ASN  46           HA       ASN  46   1.573   3.511   2.679
  337   1HB   ASN  46          2HB       ASN  46   1.299   5.478   4.136
  338   2HB   ASN  46          1HB       ASN  46   2.995   5.369   4.581
  339   1HD2  ASN  46          1HD2      ASN  46   0.722   6.222   2.202
  340   2HD2  ASN  46          2HD2      ASN  46   1.813   7.048   1.142
  341    H    PHE  47           H        PHE  47   3.067   2.788   1.240
  342    HA   PHE  47           HA       PHE  47   5.622   2.194   2.347
  343   1HB   PHE  47          2HB       PHE  47   4.359   1.095  -0.152
  344   2HB   PHE  47          1HB       PHE  47   5.936   0.623   0.480
  345    HD1  PHE  47           1HD      PHE  47   2.616  -0.252   0.354
  346    HD2  PHE  47           2HD      PHE  47   5.849   0.028   3.077
  347    HE1  PHE  47           1HE      PHE  47   1.511  -1.870   1.826
  348    HE2  PHE  47           2HE      PHE  47   4.759  -1.591   4.554
  349    HZ   PHE  47           HZ       PHE  47   2.580  -2.541   3.921
  350    H    ARG  48           H        ARG  48   7.366   3.145   1.414
  351    HA   ARG  48           HA       ARG  48   7.117   5.150  -0.810
  352   1HB   ARG  48          2HB       ARG  48   7.935   5.904   1.430
  353   2HB   ARG  48          1HB       ARG  48   9.285   4.802   1.241
  354   1HG   ARG  48          2HG       ARG  48   9.909   7.099   0.688
  355   2HG   ARG  48          1HG       ARG  48  10.056   6.041  -0.708
  356   1HD   ARG  48          2HD       ARG  48   8.047   6.966  -1.709
  357   2HD   ARG  48          1HD       ARG  48   7.637   7.837  -0.243
  358    HE   ARG  48           HE       ARG  48  10.094   8.725  -0.892
  359   1HH1  ARG  48          1HH1      ARG  48   7.110   8.552  -2.872
  360   2HH1  ARG  48          2HH1      ARG  48   7.298  10.116  -3.500
  361   1HH2  ARG  48          1HH2      ARG  48  10.292  10.904  -1.802
  362   2HH2  ARG  48          2HH2      ARG  48   9.130  11.482  -2.888
  363    H    ARG  49           H        ARG  49   8.251   1.855  -0.221
  364    HA   ARG  49           HA       ARG  49   9.655   2.130  -2.672
  365   1HB   ARG  49          2HB       ARG  49  11.313   2.197  -0.902
  366   2HB   ARG  49          1HB       ARG  49  10.617   0.787  -0.133
  367   1HG   ARG  49          2HG       ARG  49  11.406  -0.644  -1.865
  368   2HG   ARG  49          1HG       ARG  49  11.880   0.736  -2.859
  369   1HD   ARG  49          2HD       ARG  49  13.828  -0.270  -1.802
  370   2HD   ARG  49          1HD       ARG  49  13.562   1.358  -1.192
  371    HE   ARG  49           HE       ARG  49  12.708  -1.029   0.305
  372   1HH1  ARG  49          1HH1      ARG  49  14.434   2.089   0.211
  373   2HH1  ARG  49          2HH1      ARG  49  14.888   2.027   1.850
  374   1HH2  ARG  49          1HH2      ARG  49  13.336  -1.074   2.559
  375   2HH2  ARG  49          2HH2      ARG  49  14.283   0.192   3.196
  376    H    THR  50           H        THR  50   9.256   0.366  -4.012
  377    HA   THR  50           HA       THR  50   6.902  -1.017  -3.910
  378    HB   THR  50           HB       THR  50   9.286  -1.834  -5.557
  379    HG1  THR  50           1HG      THR  50   7.488   0.257  -6.265
  380   1HG2  THR  50          1HG2      THR  50   7.204  -3.154  -5.817
  381   2HG2  THR  50          2HG2      THR  50   7.555  -2.220  -7.269
  382   3HG2  THR  50          3HG2      THR  50   6.312  -1.668  -6.144
  383    H    TYR  51           H        TYR  51  10.185  -2.434  -3.522
  384    HA   TYR  51           HA       TYR  51   9.353  -5.048  -3.003
  385   1HB   TYR  51          2HB       TYR  51  11.650  -4.664  -3.582
  386   2HB   TYR  51          1HB       TYR  51  11.895  -3.611  -2.189
  387    HD1  TYR  51           1HD      TYR  51  13.017  -4.512  -0.402
  388    HD2  TYR  51           2HD      TYR  51  10.834  -7.122  -2.946
  389    HE1  TYR  51           1HE      TYR  51  13.776  -6.422   0.926
  390    HE2  TYR  51           2HE      TYR  51  11.597  -9.048  -1.626
  391    HH   TYR  51           HH       TYR  51  13.330  -9.651  -0.112
  392    H    ASP  52           H        ASP  52   9.652  -2.308  -0.899
  393    HA   ASP  52           HA       ASP  52   9.508  -3.813   1.536
  394   1HB   ASP  52          2HB       ASP  52  10.238  -1.443   1.492
  395   2HB   ASP  52          1HB       ASP  52   8.610  -0.964   1.029
  396    H    CYS  53           H        CYS  53   7.044  -2.345  -0.435
  397    HA   CYS  53           HA       CYS  53   4.713  -3.188   0.987
  398   1HB   CYS  53          2HB       CYS  53   4.694  -1.646  -0.956
  399   2HB   CYS  53          1HB       CYS  53   4.994  -3.024  -2.012
  400    H    GLN  54           H        GLN  54   6.248  -4.505  -1.503
  401    HA   GLN  54           HA       GLN  54   5.112  -7.135  -1.909
  402   1HB   GLN  54          2HB       GLN  54   6.538  -6.331  -3.564
  403   2HB   GLN  54          1HB       GLN  54   7.986  -6.484  -2.528
  404   1HG   GLN  54          2HG       GLN  54   7.471  -8.967  -2.553
  405   2HG   GLN  54          1HG       GLN  54   6.270  -8.619  -3.800
  406   1HE2  GLN  54          1HE2      GLN  54   9.607  -8.947  -3.081
  407   2HE2  GLN  54          2HE2      GLN  54  10.200  -8.705  -4.676
  408    H    ARG  55           H        ARG  55   7.787  -6.367   0.030
  409    HA   ARG  55           HA       ARG  55   8.181  -9.012   1.030
  410   1HB   ARG  55          2HB       ARG  55   9.996  -7.372   0.973
  411   2HB   ARG  55          1HB       ARG  55   9.122  -6.346   2.092
  412   1HG   ARG  55          2HG       ARG  55   9.430  -7.908   3.864
  413   2HG   ARG  55          1HG       ARG  55  10.106  -9.108   2.753
  414   1HD   ARG  55          2HD       ARG  55  11.965  -7.654   2.262
  415   2HD   ARG  55          1HD       ARG  55  11.285  -6.386   3.262
  416    HE   ARG  55           HE       ARG  55  11.573  -7.897   5.166
  417   1HH1  ARG  55          1HH1      ARG  55  13.512  -8.625   2.258
  418   2HH1  ARG  55          2HH1      ARG  55  14.858  -9.177   3.132
  419   1HH2  ARG  55          1HH2      ARG  55  13.468  -8.650   6.363
  420   2HH2  ARG  55          2HH2      ARG  55  14.860  -9.152   5.525
  421    H    THR  56           H        THR  56   6.377  -6.074   2.432
  422    HA   THR  56           HA       THR  56   5.822  -7.853   4.430
  423    HB   THR  56           HB       THR  56   6.104  -5.583   5.036
  424    HG1  THR  56           1HG      THR  56   4.697  -6.862   6.258
  425   1HG2  THR  56          1HG2      THR  56   3.602  -5.008   3.468
  426   2HG2  THR  56          2HG2      THR  56   5.237  -4.511   3.045
  427   3HG2  THR  56          3HG2      THR  56   4.462  -3.856   4.488
  428    H    CYS  57           H        CYS  57   3.769  -6.771   1.710
  429    HA   CYS  57           HA       CYS  57   1.457  -8.090   2.900
  430   1HB   CYS  57          2HB       CYS  57   1.468  -6.147   0.578
  431   2HB   CYS  57          1HB       CYS  57   0.089  -6.722   1.515
  432    H    LEU  58           H        LEU  58   3.677  -8.513   0.437
  433    HA   LEU  58           HA       LEU  58   1.893 -10.323  -0.992
  434   1HB   LEU  58          2HB       LEU  58   3.075  -8.544  -2.252
  435   2HB   LEU  58          1HB       LEU  58   4.604  -9.228  -1.779
  436    HG   LEU  58           HG       LEU  58   3.894  -9.613  -4.164
  437   1HD1  LEU  58          1HD1      LEU  58   4.425 -12.085  -2.548
  438   2HD1  LEU  58          2HD1      LEU  58   5.626 -10.991  -3.238
  439   3HD1  LEU  58          3HD1      LEU  58   4.584 -11.940  -4.299
  440   1HD2  LEU  58          1HD2      LEU  58   1.533  -9.999  -3.796
  441   2HD2  LEU  58          2HD2      LEU  58   1.895 -11.480  -2.903
  442   3HD2  LEU  58          3HD2      LEU  58   2.264 -11.372  -4.627
  443    H    TYR  59           H        TYR  59   4.579 -10.364   1.200
  444    HA   TYR  59           HA       TYR  59   4.976 -13.162   0.593
  445   1HB   TYR  59          2HB       TYR  59   6.546 -11.312   2.394
  446   2HB   TYR  59          1HB       TYR  59   6.847 -13.038   2.271
  447    HD1  TYR  59           1HD      TYR  59   8.861 -10.872   1.761
  448    HD2  TYR  59           2HD      TYR  59   6.204 -12.891  -0.865
  449    HE1  TYR  59           1HE      TYR  59  10.398 -10.458  -0.106
  450    HE2  TYR  59           2HE      TYR  59   7.726 -12.481  -2.733
  451    HH   TYR  59           HH       TYR  59  10.866 -11.593  -2.340
  452    H    THR  60           H        THR  60   2.998 -14.074   1.475
  453    HA   THR  60           HA       THR  60   2.853 -14.555   4.107
  454    HB   THR  60           HB       THR  60   2.283 -12.174   4.471
  455    HG1  THR  60           1HG      THR  60  -0.275 -12.952   4.846
  456   1HG2  THR  60          1HG2      THR  60   0.263 -11.139   3.495
  457   2HG2  THR  60          2HG2      THR  60  -0.009 -12.591   2.533
  458   3HG2  THR  60          3HG2      THR  60   1.416 -11.599   2.239