NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
543829 | 2lid | 17889 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 H1 GLU 1 9.847 13.472 7.556 2 H2 GLU 1 H2 GLU 1 10.000 15.146 7.367 3 H3 GLU 1 H3 GLU 1 11.380 14.188 7.568 4 HA GLU 1 HA GLU 1 9.528 14.116 5.258 5 HB2 GLU 1 HB2 GLU 1 12.392 15.073 5.452 6 HB3 GLU 1 HB3 GLU 1 11.414 15.037 3.991 7 HG2 GLU 1 HG2 GLU 1 9.870 16.652 5.005 8 HG3 GLU 1 HG3 GLU 1 10.890 16.707 6.440 9 H HIS 2 HN HIS 2 12.896 13.243 6.032 10 HA HIS 2 HA HIS 2 12.437 10.657 4.707 11 HB2 HIS 2 HB2 HIS 2 15.011 12.164 5.216 12 HB3 HIS 2 HB3 HIS 2 14.914 10.572 4.472 13 HD1 HIS 2 HD1 HIS 2 14.249 14.192 3.794 14 HD2 HIS 2 HD2 HIS 2 14.083 10.547 1.806 15 HE1 HIS 2 HE1 HIS 2 13.943 14.765 1.365 16 HE2 HIS 2 HE2 HIS 2 13.944 12.546 0.171 17 H LYS 3 HN LYS 3 14.053 8.924 5.601 18 HA LYS 3 HA LYS 3 14.537 7.483 7.294 19 HB2 LYS 3 HB2 LYS 3 16.068 9.368 7.900 20 HB3 LYS 3 HB3 LYS 3 14.819 9.979 8.976 21 HG2 LYS 3 HG2 LYS 3 16.299 8.804 10.354 22 HG3 LYS 3 HG3 LYS 3 14.925 7.720 10.133 23 HD2 LYS 3 HD2 LYS 3 16.120 6.414 8.529 24 HD3 LYS 3 HD3 LYS 3 17.434 7.589 8.470 25 HE2 LYS 3 HE2 LYS 3 18.083 5.666 9.798 26 HE3 LYS 3 HE3 LYS 3 17.962 7.102 10.817 27 HZ1 LYS 3 HZ1 LYS 3 16.957 5.224 11.907 28 HZ2 LYS 3 HZ2 LYS 3 15.943 4.935 10.585 29 HZ3 LYS 3 HZ3 LYS 3 15.751 6.341 11.506 30 H HIS 4 HN HIS 4 12.643 6.399 7.594 31 HA HIS 4 HA HIS 4 10.354 7.463 8.847 32 HB2 HIS 4 HB2 HIS 4 9.666 5.032 9.043 33 HB3 HIS 4 HB3 HIS 4 10.047 5.592 7.417 34 HD1 HIS 4 HD1 HIS 4 12.531 4.907 6.558 35 HD2 HIS 4 HD2 HIS 4 11.030 2.815 9.818 36 HE1 HIS 4 HE1 HIS 4 13.926 2.821 6.718 37 HE2 HIS 4 HE2 HIS 4 12.951 1.535 8.652 38 H SER 5 HN SER 5 13.302 6.644 10.164 39 HA SER 5 HA SER 5 14.085 6.382 12.281 40 HB2 SER 5 HB2 SER 5 12.831 8.486 12.623 41 HB3 SER 5 HB3 SER 5 11.403 7.549 13.061 42 HG SER 5 HG SER 5 12.241 7.140 14.961 43 H ASP 6 HN ASP 6 12.325 4.274 11.010 44 HA ASP 6 HA ASP 6 11.614 2.177 11.514 45 HB2 ASP 6 HB2 ASP 6 12.763 2.716 14.260 46 HB3 ASP 6 HB3 ASP 6 12.343 1.140 13.600 47 H GLU 7 HN GLU 7 9.582 1.570 11.780 48 HA GLU 7 HA GLU 7 8.085 2.062 14.153 49 HB2 GLU 7 HB2 GLU 7 7.943 4.303 13.096 50 HB3 GLU 7 HB3 GLU 7 7.216 3.565 11.674 51 HG2 GLU 7 HG2 GLU 7 5.335 2.802 13.056 52 HG3 GLU 7 HG3 GLU 7 6.056 3.605 14.450 53 H SER 8 HN SER 8 7.079 1.917 10.752 54 HA SER 8 HA SER 8 5.625 -0.558 11.345 55 HB2 SER 8 HB2 SER 8 5.422 1.314 8.969 56 HB3 SER 8 HB3 SER 8 4.424 -0.117 9.229 57 HG SER 8 HG SER 8 4.365 2.360 10.505 58 H THR 9 HN THR 9 8.484 0.522 10.014 59 HA THR 9 HA THR 9 10.154 -0.433 8.814 60 HB THR 9 HB THR 9 8.799 -3.103 9.136 61 HG1 THR 9 HG1 THR 9 10.459 -1.924 11.115 62 HG21 THR 9 HG21 THR 9 11.115 -3.893 9.360 63 HG22 THR 9 HG22 THR 9 11.696 -2.239 9.169 64 HG23 THR 9 HG23 THR 9 10.869 -3.044 7.834 65 H SER 10 HN SER 10 7.368 0.161 7.608 66 HA SER 10 HA SER 10 8.063 -0.737 4.942 67 HB2 SER 10 HB2 SER 10 5.399 -1.458 6.188 68 HB3 SER 10 HB3 SER 10 5.829 -1.688 4.493 69 HG SER 10 HG SER 10 6.685 -3.503 5.075 70 H GLU 11 HN GLU 11 7.064 1.574 7.000 71 HA GLU 11 HA GLU 11 6.260 3.675 6.784 72 HB2 GLU 11 HB2 GLU 11 6.740 3.135 3.860 73 HB3 GLU 11 HB3 GLU 11 6.303 4.708 4.511 74 HG2 GLU 11 HG2 GLU 11 8.344 4.680 5.882 75 HG3 GLU 11 HG3 GLU 11 8.789 3.139 5.153 76 H SEP 12 HN SER 12 4.911 2.707 3.722 77 HA SEP 12 HA SER 12 2.290 2.207 4.807 78 HB2 SEP 12 HB2 SER 12 2.847 4.716 3.218 79 HB3 SEP 12 HB3 SER 12 1.228 4.071 3.494 80 H PHE 13 HN PHE 13 4.469 1.178 2.896 81 HA PHE 13 HA PHE 13 2.735 -0.169 1.121 82 HB2 PHE 13 HB2 PHE 13 3.632 0.741 -1.017 83 HB3 PHE 13 HB3 PHE 13 2.660 1.903 -0.117 84 HD1 PHE 13 HD2 PHE 13 3.791 3.734 1.133 85 HD2 PHE 13 HD1 PHE 13 5.898 1.154 -1.517 86 HE1 PHE 13 HE2 PHE 13 5.644 5.350 1.038 87 HE2 PHE 13 HE1 PHE 13 7.754 2.766 -1.615 88 HZ PHE 13 HZ PHE 13 7.625 4.870 -0.348 89 H GLU 14 HN GLU 14 3.660 -1.979 0.379 90 HA GLU 14 HA GLU 14 6.383 -2.322 -0.216 91 HB2 GLU 14 HB2 GLU 14 6.627 -2.143 2.233 92 HB3 GLU 14 HB3 GLU 14 5.493 -3.470 2.439 93 HG2 GLU 14 HG2 GLU 14 7.017 -4.980 1.325 94 HG3 GLU 14 HG3 GLU 14 8.142 -3.656 1.031 95 H SER 15 HN SER 15 4.934 -3.066 -1.970 96 HA SER 15 HA SER 15 3.180 -5.156 -1.928 97 HB2 SER 15 HB2 SER 15 5.266 -4.618 -4.054 98 HB3 SER 15 HB3 SER 15 3.818 -5.603 -4.268 99 HG SER 15 HG SER 15 4.032 -3.023 -4.619 100 H ILE 16 HN ILE 16 3.326 -7.107 -1.083 101 HA ILE 16 HA ILE 16 5.924 -8.488 -1.067 102 HB ILE 16 HB ILE 16 3.547 -9.473 0.465 103 HG12 ILE 16 HG12 ILE 16 5.457 -7.411 1.573 104 HG13 ILE 16 HG13 ILE 16 3.872 -6.997 0.927 105 HG21 ILE 16 HG21 ILE 16 6.521 -9.550 0.950 106 HG22 ILE 16 HG22 ILE 16 5.297 -10.277 1.991 107 HG23 ILE 16 HG23 ILE 16 5.523 -10.871 0.345 108 HD11 ILE 16 HD11 ILE 16 4.448 -8.782 3.276 109 HD12 ILE 16 HD12 ILE 16 3.745 -7.165 3.315 110 HD13 ILE 16 HD13 ILE 16 2.846 -8.501 2.594 111 H ALA 17 HN ALA 17 2.617 -8.670 -2.127 112 HA ALA 17 HA ALA 17 3.256 -10.853 -3.913 113 HB1 ALA 17 HB1 ALA 17 1.518 -12.341 -3.110 114 HB2 ALA 17 HB2 ALA 17 2.649 -11.989 -1.805 115 HB3 ALA 17 HB3 ALA 17 1.077 -11.189 -1.847 116 H ASP 18 HN ASP 18 0.410 -11.493 -4.261 117 HA ASP 18 HA ASP 18 -0.612 -8.973 -5.382 118 HB2 ASP 18 HB2 ASP 18 0.442 -10.471 -7.134 119 HB3 ASP 18 HB3 ASP 18 -0.807 -11.658 -6.767 120 H ASN 19 HN ASN 19 -1.102 -10.621 -2.956 121 HA ASN 19 HA ASN 19 -4.005 -10.733 -3.152 122 HB2 ASN 19 HB2 ASN 19 -4.192 -12.945 -2.273 123 HB3 ASN 19 HB3 ASN 19 -3.068 -13.047 -3.622 124 HD21 ASN 19 HD21 ASN 19 -0.899 -11.794 -2.083 125 HD22 ASN 19 HD22 ASN 19 -0.334 -13.004 -0.988 126 H ASN 20 HN ASN 20 -1.148 -10.049 -1.565 127 HA ASN 20 HA ASN 20 -2.466 -9.796 1.051 128 HB2 ASN 20 HB2 ASN 20 -0.368 -11.176 0.923 129 HB3 ASN 20 HB3 ASN 20 0.500 -9.716 0.461 130 HD21 ASN 20 HD21 ASN 20 -2.141 -9.717 2.725 131 HD22 ASN 20 HD22 ASN 20 -1.199 -9.364 4.126 132 H ASP 21 HN ASP 21 -0.117 -8.131 -1.042 133 HA ASP 21 HA ASP 21 -0.135 -5.664 0.234 134 HB2 ASP 21 HB2 ASP 21 0.747 -4.743 -1.824 135 HB3 ASP 21 HB3 ASP 21 1.436 -6.349 -1.593 136 H ASP 22 HN ASP 22 -2.387 -7.130 -1.970 137 HA ASP 22 HA ASP 22 -3.896 -4.711 -2.388 138 HB2 ASP 22 HB2 ASP 22 -4.241 -7.585 -3.199 139 HB3 ASP 22 HB3 ASP 22 -5.497 -6.385 -3.505 140 H SER 23 HN SER 23 -3.592 -5.468 0.368 141 HA SER 23 HA SER 23 -6.356 -5.404 1.144 142 HB2 SER 23 HB2 SER 23 -5.986 -7.837 0.819 143 HB3 SER 23 HB3 SER 23 -4.697 -7.777 2.019 144 HG SER 23 HG SER 23 -7.002 -8.361 2.654 145 H TYR 24 HN TYR 24 -2.966 -5.673 2.147 146 HA TYR 24 HA TYR 24 -3.640 -4.543 4.750 147 HB2 TYR 24 HB2 TYR 24 -1.709 -5.439 5.548 148 HB3 TYR 24 HB3 TYR 24 -1.927 -6.497 4.164 149 HD1 TYR 24 HD2 TYR 24 -0.496 -6.284 2.193 150 HD2 TYR 24 HD1 TYR 24 0.073 -3.807 5.605 151 HE1 TYR 24 HE2 TYR 24 1.728 -5.652 1.355 152 HE2 TYR 24 HE1 TYR 24 2.297 -3.166 4.775 153 HH TYR 24 HH TYR 24 4.026 -4.055 3.267 154 H PHE 25 HN PHE 25 -1.659 -3.732 1.917 155 HA PHE 25 HA PHE 25 -1.119 -1.100 3.072 156 HB2 PHE 25 HB2 PHE 25 0.852 -1.281 2.041 157 HB3 PHE 25 HB3 PHE 25 0.371 -2.870 1.461 158 HD1 PHE 25 HD2 PHE 25 0.462 0.722 0.608 159 HD2 PHE 25 HD1 PHE 25 -0.124 -3.248 -0.805 160 HE1 PHE 25 HE2 PHE 25 0.555 1.542 -1.711 161 HE2 PHE 25 HE1 PHE 25 -0.030 -2.438 -3.127 162 HZ PHE 25 HZ PHE 25 0.308 -0.041 -3.582 163 H GLN 26 HN GLN 26 -2.749 -2.615 0.345 164 HA GLN 26 HA GLN 26 -3.367 -0.254 -1.063 165 HB2 GLN 26 HB2 GLN 26 -3.510 -2.546 -2.013 166 HB3 GLN 26 HB3 GLN 26 -4.920 -2.847 -1.009 167 HG2 GLN 26 HG2 GLN 26 -6.176 -1.166 -2.166 168 HG3 GLN 26 HG3 GLN 26 -4.750 -0.673 -3.078 169 HE21 GLN 26 HE21 GLN 26 -7.186 -3.123 -2.663 170 HE22 GLN 26 HE22 GLN 26 -6.919 -3.927 -4.169 171 H ARG 27 HN ARG 27 -5.607 -2.277 0.833 172 HA ARG 27 HA ARG 27 -7.620 -1.771 1.783 173 HB2 ARG 27 HB2 ARG 27 -5.715 -0.994 3.363 174 HB3 ARG 27 HB3 ARG 27 -6.233 0.630 2.931 175 HG2 ARG 27 HG2 ARG 27 -8.516 0.047 3.700 176 HG3 ARG 27 HG3 ARG 27 -7.886 -1.509 4.243 177 HD2 ARG 27 HD2 ARG 27 -6.355 -0.375 5.763 178 HD3 ARG 27 HD3 ARG 27 -6.929 1.191 5.192 179 HE ARG 27 HE ARG 27 -9.121 -0.278 6.130 180 HH11 ARG 27 HH12 ARG 27 -6.243 1.270 7.342 181 HH12 ARG 27 HH11 ARG 27 -6.923 1.599 8.902 182 HH21 ARG 27 HH22 ARG 27 -10.023 0.153 8.177 183 HH22 ARG 27 HH21 ARG 27 -9.071 0.964 9.376 184 H LYS 28 HN LYS 28 -7.824 -0.942 -0.733 185 HA LYS 28 HA LYS 28 -8.882 0.466 -2.168 186 HB2 LYS 28 HB2 LYS 28 -10.325 0.997 0.410 187 HB3 LYS 28 HB3 LYS 28 -10.802 1.778 -1.093 188 HG2 LYS 28 HG2 LYS 28 -10.534 -1.191 -0.862 189 HG3 LYS 28 HG3 LYS 28 -12.030 -0.346 -0.452 190 HD2 LYS 28 HD2 LYS 28 -12.069 0.618 -2.718 191 HD3 LYS 28 HD3 LYS 28 -10.605 -0.287 -3.110 192 HE2 LYS 28 HE2 LYS 28 -13.273 -1.459 -2.334 193 HE3 LYS 28 HE3 LYS 28 -12.585 -1.425 -3.957 194 HZ1 LYS 28 HZ1 LYS 28 -11.451 -2.858 -1.616 195 HZ2 LYS 28 HZ2 LYS 28 -10.757 -2.803 -3.158 196 HZ3 LYS 28 HZ3 LYS 28 -12.246 -3.570 -2.929 197 HA PRO 29 HA PRO 29 -6.250 4.123 -1.210 198 HB2 PRO 29 HB2 PRO 29 -5.715 4.078 -4.086 199 HB3 PRO 29 HB3 PRO 29 -4.581 3.967 -2.739 200 HG2 PRO 29 HG2 PRO 29 -5.113 1.866 -4.345 201 HG3 PRO 29 HG3 PRO 29 -4.739 1.671 -2.623 202 HD2 PRO 29 HD2 PRO 29 -7.404 1.639 -3.998 203 HD3 PRO 29 HD3 PRO 29 -6.787 0.573 -2.715 204 H LYS 30 HN LYS 30 -8.923 3.552 -3.274 205 HA LYS 30 HA LYS 30 -9.138 6.361 -4.050 206 HB2 LYS 30 HB2 LYS 30 -10.964 5.656 -5.483 207 HB3 LYS 30 HB3 LYS 30 -9.563 4.629 -5.750 208 HG2 LYS 30 HG2 LYS 30 -10.566 2.886 -4.372 209 HG3 LYS 30 HG3 LYS 30 -11.968 3.920 -4.084 210 HD2 LYS 30 HD2 LYS 30 -12.426 3.945 -6.500 211 HD3 LYS 30 HD3 LYS 30 -11.049 2.874 -6.763 212 HE2 LYS 30 HE2 LYS 30 -12.116 1.154 -5.402 213 HE3 LYS 30 HE3 LYS 30 -13.480 2.228 -5.097 214 HZ1 LYS 30 HZ1 LYS 30 -13.920 2.242 -7.497 215 HZ2 LYS 30 HZ2 LYS 30 -14.023 0.685 -6.844 216 HZ3 LYS 30 HZ3 LYS 30 -12.660 1.138 -7.736 217 H LEU 31 HN LEU 31 -11.644 7.026 -4.084 218 HA LEU 31 HA LEU 31 -12.491 6.862 -1.279 219 HB2 LEU 31 HB2 LEU 31 -13.149 8.853 -3.449 220 HB3 LEU 31 HB3 LEU 31 -13.885 8.865 -1.859 221 HG LEU 31 HG LEU 31 -11.520 9.108 -0.928 222 HD11 LEU 31 HD11 LEU 31 -9.897 10.130 -2.485 223 HD12 LEU 31 HD12 LEU 31 -10.261 8.450 -2.875 224 HD13 LEU 31 HD13 LEU 31 -10.982 9.751 -3.823 225 HD21 LEU 31 HD21 LEU 31 -12.677 11.314 -2.626 226 HD22 LEU 31 HD22 LEU 31 -13.131 10.932 -0.967 227 HD23 LEU 31 HD23 LEU 31 -11.509 11.524 -1.323 228 H THR 32 HN THR 32 -15.059 7.409 -1.258 229 HA THR 32 HA THR 32 -16.258 5.092 -2.561 230 HB THR 32 HB THR 32 -18.200 5.524 -1.099 231 HG1 THR 32 HG1 THR 32 -16.684 7.820 -0.480 232 HG21 THR 32 HG21 THR 32 -15.552 5.515 0.356 233 HG22 THR 32 HG22 THR 32 -16.389 4.099 -0.283 234 HG23 THR 32 HG23 THR 32 -17.102 5.023 1.040 235 H GLU 33 HN GLU 33 -16.977 5.441 -4.568 236 HA GLU 33 HA GLU 33 -18.219 8.014 -5.218 237 HB2 GLU 33 HB2 GLU 33 -17.129 5.789 -6.935 238 HB3 GLU 33 HB3 GLU 33 -18.086 7.108 -7.596 239 HG2 GLU 33 HG2 GLU 33 -15.735 7.545 -7.897 240 HG3 GLU 33 HG3 GLU 33 -16.430 8.713 -6.776 241 H ALA 34 HN ALA 34 -18.804 4.643 -6.223 242 HA ALA 34 HA ALA 34 -20.717 3.469 -6.579 243 HB1 ALA 34 HB1 ALA 34 -20.942 3.741 -4.154 244 HB2 ALA 34 HB2 ALA 34 -21.822 5.249 -4.407 245 HB3 ALA 34 HB3 ALA 34 -22.513 3.721 -4.956 246 HA PRO 35 HA PRO 35 -22.462 6.856 -9.238 247 HB2 PRO 35 HB2 PRO 35 -22.079 5.622 -11.609 248 HB3 PRO 35 HB3 PRO 35 -20.810 6.564 -10.818 249 HG2 PRO 35 HG2 PRO 35 -21.213 3.598 -10.869 250 HG3 PRO 35 HG3 PRO 35 -19.714 4.526 -11.056 251 HD2 PRO 35 HD2 PRO 35 -20.440 3.328 -8.722 252 HD3 PRO 35 HD3 PRO 35 -19.459 4.807 -8.789 Start of MODEL 2 1 H1 GLU 1 H1 GLU 1 1.175 17.486 -11.931 2 H2 GLU 1 H2 GLU 1 -0.056 16.629 -11.149 3 H3 GLU 1 H3 GLU 1 -0.115 16.852 -12.824 4 HA GLU 1 HA GLU 1 0.563 14.613 -12.295 5 HB2 GLU 1 HB2 GLU 1 1.450 15.768 -14.313 6 HB3 GLU 1 HB3 GLU 1 2.854 16.262 -13.378 7 HG2 GLU 1 HG2 GLU 1 3.459 13.921 -13.041 8 HG3 GLU 1 HG3 GLU 1 2.048 13.423 -13.973 9 H HIS 2 HN HIS 2 1.079 13.569 -10.496 10 HA HIS 2 HA HIS 2 2.772 14.617 -8.483 11 HB2 HIS 2 HB2 HIS 2 1.796 11.785 -8.901 12 HB3 HIS 2 HB3 HIS 2 2.538 12.400 -7.427 13 HD1 HIS 2 HD1 HIS 2 -0.657 11.687 -8.748 14 HD2 HIS 2 HD2 HIS 2 0.895 14.798 -6.471 15 HE1 HIS 2 HE1 HIS 2 -2.643 12.775 -7.655 16 HE2 HIS 2 HE2 HIS 2 -1.688 14.717 -6.364 17 H LYS 3 HN LYS 3 4.907 14.578 -8.300 18 HA LYS 3 HA LYS 3 6.527 13.319 -10.301 19 HB2 LYS 3 HB2 LYS 3 7.085 15.514 -9.346 20 HB3 LYS 3 HB3 LYS 3 7.301 14.774 -7.768 21 HG2 LYS 3 HG2 LYS 3 9.163 13.448 -8.659 22 HG3 LYS 3 HG3 LYS 3 8.957 14.242 -10.224 23 HD2 LYS 3 HD2 LYS 3 9.417 16.404 -9.198 24 HD3 LYS 3 HD3 LYS 3 9.586 15.632 -7.621 25 HE2 LYS 3 HE2 LYS 3 11.498 14.360 -8.440 26 HE3 LYS 3 HE3 LYS 3 11.315 15.090 -10.034 27 HZ1 LYS 3 HZ1 LYS 3 11.947 16.549 -7.525 28 HZ2 LYS 3 HZ2 LYS 3 11.766 17.254 -9.052 29 HZ3 LYS 3 HZ3 LYS 3 13.045 16.186 -8.761 30 H HIS 4 HN HIS 4 5.255 12.370 -7.300 31 HA HIS 4 HA HIS 4 5.480 10.517 -6.011 32 HB2 HIS 4 HB2 HIS 4 6.939 9.534 -8.462 33 HB3 HIS 4 HB3 HIS 4 6.633 8.518 -7.058 34 HD1 HIS 4 HD1 HIS 4 5.071 9.813 -10.121 35 HD2 HIS 4 HD2 HIS 4 3.837 7.982 -6.601 36 HE1 HIS 4 HE1 HIS 4 2.727 9.018 -10.564 37 HE2 HIS 4 HE2 HIS 4 2.032 7.841 -8.448 38 H SER 5 HN SER 5 8.615 10.152 -7.595 39 HA SER 5 HA SER 5 10.744 10.190 -6.821 40 HB2 SER 5 HB2 SER 5 10.327 12.556 -6.416 41 HB3 SER 5 HB3 SER 5 9.610 12.185 -4.848 42 HG SER 5 HG SER 5 11.721 11.233 -4.335 43 H ASP 6 HN ASP 6 9.357 10.777 -3.622 44 HA ASP 6 HA ASP 6 9.858 7.998 -2.872 45 HB2 ASP 6 HB2 ASP 6 11.056 8.755 -0.809 46 HB3 ASP 6 HB3 ASP 6 11.939 9.069 -2.300 47 H GLU 7 HN GLU 7 7.939 7.348 -2.165 48 HA GLU 7 HA GLU 7 6.765 8.356 0.182 49 HB2 GLU 7 HB2 GLU 7 4.600 9.166 -0.862 50 HB3 GLU 7 HB3 GLU 7 5.977 10.245 -1.031 51 HG2 GLU 7 HG2 GLU 7 6.320 9.453 -3.315 52 HG3 GLU 7 HG3 GLU 7 4.939 8.371 -3.146 53 H SER 8 HN SER 8 6.233 6.400 0.959 54 HA SER 8 HA SER 8 5.308 4.329 1.125 55 HB2 SER 8 HB2 SER 8 3.630 5.235 -1.236 56 HB3 SER 8 HB3 SER 8 3.312 3.817 -0.240 57 HG SER 8 HG SER 8 2.730 5.087 1.417 58 H THR 9 HN THR 9 7.438 5.252 -0.889 59 HA THR 9 HA THR 9 7.554 3.721 -3.151 60 HB THR 9 HB THR 9 9.912 4.234 -1.329 61 HG1 THR 9 HG1 THR 9 10.095 6.125 -2.813 62 HG21 THR 9 HG21 THR 9 11.213 4.193 -3.399 63 HG22 THR 9 HG22 THR 9 9.749 3.853 -4.321 64 HG23 THR 9 HG23 THR 9 10.359 2.667 -3.166 65 H SER 10 HN SER 10 8.091 2.832 0.167 66 HA SER 10 HA SER 10 7.783 0.035 -0.407 67 HB2 SER 10 HB2 SER 10 10.405 1.055 0.715 68 HB3 SER 10 HB3 SER 10 9.924 -0.638 0.657 69 HG SER 10 HG SER 10 11.117 -0.318 -1.149 70 H GLU 11 HN GLU 11 7.202 2.648 1.403 71 HA GLU 11 HA GLU 11 7.504 1.920 4.063 72 HB2 GLU 11 HB2 GLU 11 6.820 4.159 3.336 73 HB3 GLU 11 HB3 GLU 11 5.267 3.517 2.823 74 HG2 GLU 11 HG2 GLU 11 5.044 4.633 4.945 75 HG3 GLU 11 HG3 GLU 11 4.764 2.903 5.141 76 H SEP 12 HN SER 12 4.366 1.876 2.490 77 HA SEP 12 HA SER 12 3.439 -0.193 4.273 78 HB2 SEP 12 HB2 SER 12 2.057 1.246 1.998 79 HB3 SEP 12 HB3 SER 12 1.271 0.091 3.073 80 H PHE 13 HN PHE 13 5.204 -0.270 1.508 81 HA PHE 13 HA PHE 13 3.994 -2.768 0.540 82 HB2 PHE 13 HB2 PHE 13 4.615 -0.654 -0.953 83 HB3 PHE 13 HB3 PHE 13 6.206 -1.407 -0.934 84 HD1 PHE 13 HD1 PHE 13 2.658 -2.478 -1.404 85 HD2 PHE 13 HD2 PHE 13 6.694 -2.742 -2.729 86 HE1 PHE 13 HE1 PHE 13 1.959 -3.980 -3.221 87 HE2 PHE 13 HE2 PHE 13 6.003 -4.248 -4.545 88 HZ PHE 13 HZ PHE 13 3.632 -4.867 -4.795 89 H GLU 14 HN GLU 14 6.815 -3.066 -0.781 90 HA GLU 14 HA GLU 14 8.743 -4.201 -0.396 91 HB2 GLU 14 HB2 GLU 14 8.932 -2.327 1.371 92 HB3 GLU 14 HB3 GLU 14 8.484 -3.565 2.534 93 HG2 GLU 14 HG2 GLU 14 10.430 -4.907 1.730 94 HG3 GLU 14 HG3 GLU 14 10.909 -3.515 0.760 95 H SER 15 HN SER 15 6.225 -5.563 -0.327 96 HA SER 15 HA SER 15 7.027 -7.892 1.272 97 HB2 SER 15 HB2 SER 15 4.208 -6.793 1.142 98 HB3 SER 15 HB3 SER 15 4.692 -8.283 1.949 99 HG SER 15 HG SER 15 4.510 -6.311 3.281 100 H ILE 16 HN ILE 16 5.202 -9.712 0.657 101 HA ILE 16 HA ILE 16 5.866 -10.555 -1.918 102 HB ILE 16 HB ILE 16 3.478 -11.416 -0.278 103 HG12 ILE 16 HG12 ILE 16 6.195 -12.727 -0.451 104 HG13 ILE 16 HG13 ILE 16 5.754 -11.602 0.829 105 HG21 ILE 16 HG21 ILE 16 4.903 -12.770 -2.567 106 HG22 ILE 16 HG22 ILE 16 3.636 -13.501 -1.582 107 HG23 ILE 16 HG23 ILE 16 3.271 -12.102 -2.593 108 HD11 ILE 16 HD11 ILE 16 5.524 -13.909 1.552 109 HD12 ILE 16 HD12 ILE 16 3.960 -13.094 1.526 110 HD13 ILE 16 HD13 ILE 16 4.390 -14.219 0.237 111 H ALA 17 HN ALA 17 2.780 -9.212 -0.742 112 HA ALA 17 HA ALA 17 1.074 -8.145 -1.799 113 HB1 ALA 17 HB1 ALA 17 3.112 -7.616 -3.957 114 HB2 ALA 17 HB2 ALA 17 1.584 -6.768 -3.731 115 HB3 ALA 17 HB3 ALA 17 2.859 -6.623 -2.522 116 H ASP 18 HN ASP 18 -0.009 -8.001 -4.155 117 HA ASP 18 HA ASP 18 -1.141 -9.077 -5.797 118 HB2 ASP 18 HB2 ASP 18 1.185 -11.003 -5.660 119 HB3 ASP 18 HB3 ASP 18 -0.086 -11.071 -6.878 120 H ASN 19 HN ASN 19 -1.078 -9.969 -2.788 121 HA ASN 19 HA ASN 19 -3.329 -11.653 -2.949 122 HB2 ASN 19 HB2 ASN 19 -2.408 -13.699 -2.047 123 HB3 ASN 19 HB3 ASN 19 -1.597 -13.306 -3.554 124 HD21 ASN 19 HD21 ASN 19 0.549 -12.801 -3.547 125 HD22 ASN 19 HD22 ASN 19 1.559 -12.975 -2.155 126 H ASN 20 HN ASN 20 -1.381 -9.536 -1.421 127 HA ASN 20 HA ASN 20 -2.852 -9.816 1.079 128 HB2 ASN 20 HB2 ASN 20 -0.723 -11.063 1.404 129 HB3 ASN 20 HB3 ASN 20 0.167 -9.591 1.029 130 HD21 ASN 20 HD21 ASN 20 0.187 -7.905 2.505 131 HD22 ASN 20 HD22 ASN 20 -0.297 -8.115 4.152 132 H ASP 21 HN ASP 21 -0.858 -7.971 -1.100 133 HA ASP 21 HA ASP 21 -0.751 -5.533 0.259 134 HB2 ASP 21 HB2 ASP 21 -0.280 -4.518 -1.890 135 HB3 ASP 21 HB3 ASP 21 0.553 -6.066 -1.795 136 H ASP 22 HN ASP 22 -3.238 -6.969 -1.768 137 HA ASP 22 HA ASP 22 -4.876 -4.653 -1.910 138 HB2 ASP 22 HB2 ASP 22 -6.404 -6.009 -3.043 139 HB3 ASP 22 HB3 ASP 22 -4.854 -6.774 -3.390 140 H SER 23 HN SER 23 -3.957 -6.021 0.772 141 HA SER 23 HA SER 23 -6.596 -5.829 2.059 142 HB2 SER 23 HB2 SER 23 -5.802 -8.145 2.090 143 HB3 SER 23 HB3 SER 23 -4.293 -7.630 2.845 144 HG SER 23 HG SER 23 -5.411 -7.079 4.678 145 H TYR 24 HN TYR 24 -3.116 -5.185 2.344 146 HA TYR 24 HA TYR 24 -3.772 -3.350 4.560 147 HB2 TYR 24 HB2 TYR 24 -1.759 -3.803 5.638 148 HB3 TYR 24 HB3 TYR 24 -2.284 -5.385 5.079 149 HD1 TYR 24 HD2 TYR 24 -1.391 -5.805 2.512 150 HD2 TYR 24 HD1 TYR 24 0.509 -3.440 5.491 151 HE1 TYR 24 HE2 TYR 24 0.766 -6.123 1.379 152 HE2 TYR 24 HE1 TYR 24 2.672 -3.750 4.366 153 HH TYR 24 HH TYR 24 3.738 -5.313 2.830 154 H PHE 25 HN PHE 25 -2.106 -3.728 1.523 155 HA PHE 25 HA PHE 25 -0.788 -1.163 1.692 156 HB2 PHE 25 HB2 PHE 25 0.069 -3.164 0.383 157 HB3 PHE 25 HB3 PHE 25 -1.190 -2.821 -0.795 158 HD1 PHE 25 HD1 PHE 25 1.374 -0.853 1.086 159 HD2 PHE 25 HD2 PHE 25 -0.484 -1.714 -2.641 160 HE1 PHE 25 HE1 PHE 25 2.843 0.785 -0.016 161 HE2 PHE 25 HE2 PHE 25 0.980 -0.074 -3.754 162 HZ PHE 25 HZ PHE 25 2.654 1.199 -2.398 163 H GLN 26 HN GLN 26 -3.630 -2.536 0.158 164 HA GLN 26 HA GLN 26 -4.325 0.104 -0.893 165 HB2 GLN 26 HB2 GLN 26 -5.464 -2.608 -1.583 166 HB3 GLN 26 HB3 GLN 26 -5.925 -1.087 -2.331 167 HG2 GLN 26 HG2 GLN 26 -3.639 -0.819 -3.172 168 HG3 GLN 26 HG3 GLN 26 -3.205 -2.368 -2.449 169 HE21 GLN 26 HE21 GLN 26 -5.793 -3.561 -3.095 170 HE22 GLN 26 HE22 GLN 26 -5.758 -3.886 -4.791 171 H ARG 27 HN ARG 27 -5.601 -2.613 0.970 172 HA ARG 27 HA ARG 27 -7.302 -2.805 2.456 173 HB2 ARG 27 HB2 ARG 27 -6.952 0.182 2.763 174 HB3 ARG 27 HB3 ARG 27 -7.755 -0.889 3.902 175 HG2 ARG 27 HG2 ARG 27 -5.655 -2.040 4.326 176 HG3 ARG 27 HG3 ARG 27 -4.840 -1.001 3.155 177 HD2 ARG 27 HD2 ARG 27 -4.402 -0.173 5.368 178 HD3 ARG 27 HD3 ARG 27 -5.466 0.959 4.532 179 HE ARG 27 HE ARG 27 -7.212 -0.589 5.860 180 HH11 ARG 27 HH12 ARG 27 -4.318 1.069 6.874 181 HH12 ARG 27 HH11 ARG 27 -4.877 1.321 8.493 182 HH21 ARG 27 HH22 ARG 27 -7.953 -0.262 7.989 183 HH22 ARG 27 HH21 ARG 27 -6.944 0.566 9.127 184 H LYS 28 HN LYS 28 -8.141 -2.800 -0.078 185 HA LYS 28 HA LYS 28 -9.910 -2.475 -1.476 186 HB2 LYS 28 HB2 LYS 28 -11.257 -2.157 1.207 187 HB3 LYS 28 HB3 LYS 28 -12.138 -2.266 -0.310 188 HG2 LYS 28 HG2 LYS 28 -12.200 -4.427 0.535 189 HG3 LYS 28 HG3 LYS 28 -10.894 -4.480 -0.650 190 HD2 LYS 28 HD2 LYS 28 -9.254 -4.211 1.140 191 HD3 LYS 28 HD3 LYS 28 -10.554 -4.127 2.327 192 HE2 LYS 28 HE2 LYS 28 -11.246 -6.405 1.700 193 HE3 LYS 28 HE3 LYS 28 -9.908 -6.483 0.555 194 HZ1 LYS 28 HZ1 LYS 28 -9.679 -6.191 3.503 195 HZ2 LYS 28 HZ2 LYS 28 -8.374 -6.186 2.426 196 HZ3 LYS 28 HZ3 LYS 28 -9.319 -7.579 2.604 197 HA PRO 29 HA PRO 29 -9.508 2.149 -1.356 198 HB2 PRO 29 HB2 PRO 29 -9.185 1.745 -4.257 199 HB3 PRO 29 HB3 PRO 29 -8.162 2.636 -3.127 200 HG2 PRO 29 HG2 PRO 29 -7.382 0.297 -4.183 201 HG3 PRO 29 HG3 PRO 29 -6.963 0.759 -2.523 202 HD2 PRO 29 HD2 PRO 29 -9.088 -1.116 -3.491 203 HD3 PRO 29 HD3 PRO 29 -7.993 -1.275 -2.102 204 H LYS 30 HN LYS 30 -10.809 0.694 -4.337 205 HA LYS 30 HA LYS 30 -13.008 2.544 -4.358 206 HB2 LYS 30 HB2 LYS 30 -13.645 1.457 -6.444 207 HB3 LYS 30 HB3 LYS 30 -11.926 1.825 -6.442 208 HG2 LYS 30 HG2 LYS 30 -11.409 -0.493 -5.919 209 HG3 LYS 30 HG3 LYS 30 -13.132 -0.875 -5.867 210 HD2 LYS 30 HD2 LYS 30 -13.312 -0.171 -8.236 211 HD3 LYS 30 HD3 LYS 30 -11.565 0.080 -8.262 212 HE2 LYS 30 HE2 LYS 30 -12.958 -2.532 -7.685 213 HE3 LYS 30 HE3 LYS 30 -12.199 -2.092 -9.215 214 HZ1 LYS 30 HZ1 LYS 30 -10.076 -1.934 -8.073 215 HZ2 LYS 30 HZ2 LYS 30 -10.746 -3.473 -7.869 216 HZ3 LYS 30 HZ3 LYS 30 -10.805 -2.352 -6.604 217 H LEU 31 HN LEU 31 -15.255 1.608 -4.877 218 HA LEU 31 HA LEU 31 -15.985 -0.095 -2.651 219 HB2 LEU 31 HB2 LEU 31 -17.592 1.422 -4.700 220 HB3 LEU 31 HB3 LEU 31 -18.332 0.363 -3.518 221 HG LEU 31 HG LEU 31 -17.291 1.785 -1.718 222 HD11 LEU 31 HD11 LEU 31 -16.695 3.582 -4.064 223 HD12 LEU 31 HD12 LEU 31 -16.602 4.060 -2.368 224 HD13 LEU 31 HD13 LEU 31 -15.519 2.817 -2.996 225 HD21 LEU 31 HD21 LEU 31 -19.206 3.136 -3.617 226 HD22 LEU 31 HD22 LEU 31 -19.637 2.000 -2.338 227 HD23 LEU 31 HD23 LEU 31 -18.949 3.571 -1.928 228 H THR 32 HN THR 32 -17.784 -1.760 -3.124 229 HA THR 32 HA THR 32 -16.690 -3.750 -4.828 230 HB THR 32 HB THR 32 -18.698 -5.074 -4.261 231 HG1 THR 32 HG1 THR 32 -19.542 -2.580 -3.229 232 HG21 THR 32 HG21 THR 32 -17.453 -3.629 -1.917 233 HG22 THR 32 HG22 THR 32 -16.818 -5.070 -2.713 234 HG23 THR 32 HG23 THR 32 -18.340 -5.152 -1.825 235 H GLU 33 HN GLU 33 -17.556 -4.665 -6.722 236 HA GLU 33 HA GLU 33 -18.438 -4.618 -8.814 237 HB2 GLU 33 HB2 GLU 33 -20.551 -4.867 -7.587 238 HB3 GLU 33 HB3 GLU 33 -20.677 -3.119 -7.441 239 HG2 GLU 33 HG2 GLU 33 -20.782 -2.963 -9.905 240 HG3 GLU 33 HG3 GLU 33 -20.774 -4.724 -9.985 241 H ALA 34 HN ALA 34 -16.932 -3.363 -9.858 242 HA ALA 34 HA ALA 34 -17.730 -0.574 -10.327 243 HB1 ALA 34 HB1 ALA 34 -15.867 -0.520 -8.780 244 HB2 ALA 34 HB2 ALA 34 -14.903 -1.516 -9.869 245 HB3 ALA 34 HB3 ALA 34 -15.376 0.113 -10.350 246 HA PRO 35 HA PRO 35 -15.495 -2.061 -14.289 247 HB2 PRO 35 HB2 PRO 35 -14.535 -4.566 -14.473 248 HB3 PRO 35 HB3 PRO 35 -13.600 -3.258 -13.738 249 HG2 PRO 35 HG2 PRO 35 -15.189 -5.423 -12.424 250 HG3 PRO 35 HG3 PRO 35 -13.597 -4.779 -11.985 251 HD2 PRO 35 HD2 PRO 35 -15.928 -4.058 -10.745 252 HD3 PRO 35 HD3 PRO 35 -14.495 -3.018 -10.831 Start of MODEL 3 1 H1 GLU 1 H1 GLU 1 6.260 12.996 17.184 2 H2 GLU 1 H2 GLU 1 5.264 13.201 18.533 3 H3 GLU 1 H3 GLU 1 6.115 11.755 18.325 4 HA GLU 1 HA GLU 1 7.286 14.424 18.844 5 HB2 GLU 1 HB2 GLU 1 7.006 11.938 20.538 6 HB3 GLU 1 HB3 GLU 1 8.100 13.254 20.939 7 HG2 GLU 1 HG2 GLU 1 6.114 13.535 22.211 8 HG3 GLU 1 HG3 GLU 1 6.143 14.787 20.972 9 H HIS 2 HN HIS 2 8.076 10.943 18.830 10 HA HIS 2 HA HIS 2 10.562 11.599 17.406 11 HB2 HIS 2 HB2 HIS 2 10.280 9.720 19.758 12 HB3 HIS 2 HB3 HIS 2 11.722 9.847 18.755 13 HD1 HIS 2 HD1 HIS 2 9.748 11.730 21.332 14 HD2 HIS 2 HD2 HIS 2 13.352 12.031 19.286 15 HE1 HIS 2 HE1 HIS 2 11.021 13.571 22.479 16 HE2 HIS 2 HE2 HIS 2 13.169 13.784 21.179 17 H LYS 3 HN LYS 3 10.629 10.561 15.532 18 HA LYS 3 HA LYS 3 9.475 7.862 15.370 19 HB2 LYS 3 HB2 LYS 3 9.190 10.045 13.298 20 HB3 LYS 3 HB3 LYS 3 8.650 8.385 13.101 21 HG2 LYS 3 HG2 LYS 3 7.625 10.330 15.161 22 HG3 LYS 3 HG3 LYS 3 6.811 9.894 13.659 23 HD2 LYS 3 HD2 LYS 3 7.576 7.824 15.700 24 HD3 LYS 3 HD3 LYS 3 6.062 8.721 15.812 25 HE2 LYS 3 HE2 LYS 3 5.576 6.684 14.695 26 HE3 LYS 3 HE3 LYS 3 5.551 7.955 13.474 27 HZ1 LYS 3 HZ1 LYS 3 6.734 5.870 12.829 28 HZ2 LYS 3 HZ2 LYS 3 7.916 6.241 13.980 29 HZ3 LYS 3 HZ3 LYS 3 7.654 7.281 12.672 30 H HIS 4 HN HIS 4 10.231 6.719 13.328 31 HA HIS 4 HA HIS 4 13.122 7.105 13.119 32 HB2 HIS 4 HB2 HIS 4 11.419 4.782 12.197 33 HB3 HIS 4 HB3 HIS 4 13.178 4.833 12.223 34 HD1 HIS 4 HD1 HIS 4 14.333 4.336 14.433 35 HD2 HIS 4 HD2 HIS 4 10.196 4.568 14.760 36 HE1 HIS 4 HE1 HIS 4 13.792 3.491 16.740 37 HE2 HIS 4 HE2 HIS 4 11.281 3.634 16.913 38 H SER 5 HN SER 5 10.217 7.397 11.287 39 HA SER 5 HA SER 5 11.578 8.685 9.136 40 HB2 SER 5 HB2 SER 5 12.006 6.359 8.480 41 HB3 SER 5 HB3 SER 5 10.280 6.008 8.568 42 HG SER 5 HG SER 5 10.188 7.882 6.973 43 H ASP 6 HN ASP 6 8.588 6.760 9.287 44 HA ASP 6 HA ASP 6 6.406 7.304 8.961 45 HB2 ASP 6 HB2 ASP 6 6.687 8.460 11.093 46 HB3 ASP 6 HB3 ASP 6 7.283 9.892 10.259 47 H GLU 7 HN GLU 7 6.229 7.312 6.760 48 HA GLU 7 HA GLU 7 6.173 9.967 5.510 49 HB2 GLU 7 HB2 GLU 7 7.423 7.509 4.263 50 HB3 GLU 7 HB3 GLU 7 7.205 9.060 3.465 51 HG2 GLU 7 HG2 GLU 7 8.714 10.111 5.053 52 HG3 GLU 7 HG3 GLU 7 8.909 8.576 5.899 53 H SER 8 HN SER 8 5.778 6.766 4.075 54 HA SER 8 HA SER 8 3.026 7.484 3.371 55 HB2 SER 8 HB2 SER 8 4.813 5.291 2.283 56 HB3 SER 8 HB3 SER 8 3.188 5.666 1.708 57 HG SER 8 HG SER 8 3.918 7.625 0.961 58 H THR 9 HN THR 9 4.552 6.017 5.784 59 HA THR 9 HA THR 9 4.175 4.345 7.272 60 HB THR 9 HB THR 9 2.391 6.004 7.801 61 HG1 THR 9 HG1 THR 9 1.929 4.672 9.371 62 HG21 THR 9 HG21 THR 9 0.672 4.133 6.166 63 HG22 THR 9 HG22 THR 9 0.982 5.841 5.850 64 HG23 THR 9 HG23 THR 9 0.045 5.362 7.266 65 H SER 10 HN SER 10 4.087 3.544 4.369 66 HA SER 10 HA SER 10 3.329 0.821 4.799 67 HB2 SER 10 HB2 SER 10 1.689 2.492 2.877 68 HB3 SER 10 HB3 SER 10 1.668 0.729 2.930 69 HG SER 10 HG SER 10 0.020 2.007 4.188 70 H GLU 11 HN GLU 11 4.692 3.361 2.954 71 HA GLU 11 HA GLU 11 6.258 3.440 1.314 72 HB2 GLU 11 HB2 GLU 11 6.654 0.567 2.162 73 HB3 GLU 11 HB3 GLU 11 7.682 1.382 0.991 74 HG2 GLU 11 HG2 GLU 11 8.742 1.414 3.138 75 HG3 GLU 11 HG3 GLU 11 8.259 3.053 2.708 76 H SEP 12 HN SER 12 3.421 2.173 0.930 77 HA SEP 12 HA SER 12 2.130 1.586 -0.842 78 HB2 SEP 12 HB2 SER 12 3.293 3.372 -2.037 79 HB3 SEP 12 HB3 SER 12 4.597 2.263 -2.457 80 H PHE 13 HN PHE 13 4.740 -0.137 0.142 81 HA PHE 13 HA PHE 13 3.810 -2.627 -0.602 82 HB2 PHE 13 HB2 PHE 13 5.389 -3.325 -2.355 83 HB3 PHE 13 HB3 PHE 13 4.346 -2.026 -2.916 84 HD1 PHE 13 HD1 PHE 13 5.238 0.214 -3.286 85 HD2 PHE 13 HD2 PHE 13 7.752 -3.000 -2.081 86 HE1 PHE 13 HE1 PHE 13 7.216 1.523 -3.937 87 HE2 PHE 13 HE2 PHE 13 9.736 -1.697 -2.732 88 HZ PHE 13 HZ PHE 13 9.472 0.557 -3.673 89 H GLU 14 HN GLU 14 4.959 -4.246 0.403 90 HA GLU 14 HA GLU 14 7.667 -4.121 1.127 91 HB2 GLU 14 HB2 GLU 14 6.915 -2.338 2.634 92 HB3 GLU 14 HB3 GLU 14 5.721 -3.421 3.336 93 HG2 GLU 14 HG2 GLU 14 7.494 -4.851 4.178 94 HG3 GLU 14 HG3 GLU 14 8.702 -3.794 3.452 95 H SER 15 HN SER 15 4.607 -5.527 1.076 96 HA SER 15 HA SER 15 5.509 -7.919 2.520 97 HB2 SER 15 HB2 SER 15 3.326 -6.826 3.162 98 HB3 SER 15 HB3 SER 15 2.704 -7.297 1.581 99 HG SER 15 HG SER 15 3.904 -9.326 3.007 100 H ILE 16 HN ILE 16 3.801 -9.777 1.355 101 HA ILE 16 HA ILE 16 5.307 -10.627 -0.865 102 HB ILE 16 HB ILE 16 2.549 -11.552 -0.050 103 HG12 ILE 16 HG12 ILE 16 5.221 -12.729 0.736 104 HG13 ILE 16 HG13 ILE 16 4.303 -11.635 1.764 105 HG21 ILE 16 HG21 ILE 16 3.166 -13.638 -1.177 106 HG22 ILE 16 HG22 ILE 16 3.177 -12.269 -2.290 107 HG23 ILE 16 HG23 ILE 16 4.697 -12.914 -1.672 108 HD11 ILE 16 HD11 ILE 16 3.944 -13.924 2.430 109 HD12 ILE 16 HD12 ILE 16 2.450 -13.241 1.787 110 HD13 ILE 16 HD13 ILE 16 3.412 -14.342 0.802 111 H ALA 17 HN ALA 17 2.201 -8.977 -0.608 112 HA ALA 17 HA ALA 17 0.906 -7.880 -2.114 113 HB1 ALA 17 HB1 ALA 17 2.987 -6.720 -2.676 114 HB2 ALA 17 HB2 ALA 17 3.344 -7.957 -3.883 115 HB3 ALA 17 HB3 ALA 17 1.935 -6.913 -4.079 116 H ASP 18 HN ASP 18 -0.018 -8.033 -4.404 117 HA ASP 18 HA ASP 18 -1.129 -9.247 -5.967 118 HB2 ASP 18 HB2 ASP 18 1.138 -11.228 -5.635 119 HB3 ASP 18 HB3 ASP 18 -0.018 -11.198 -6.963 120 H ASN 19 HN ASN 19 -1.003 -9.910 -2.903 121 HA ASN 19 HA ASN 19 -3.268 -11.543 -2.805 122 HB2 ASN 19 HB2 ASN 19 -2.444 -13.610 -2.041 123 HB3 ASN 19 HB3 ASN 19 -1.454 -13.234 -3.440 124 HD21 ASN 19 HD21 ASN 19 0.112 -11.235 -1.977 125 HD22 ASN 19 HD22 ASN 19 1.172 -12.126 -0.948 126 H ASN 20 HN ASN 20 -0.848 -9.641 -1.519 127 HA ASN 20 HA ASN 20 -2.045 -9.760 1.171 128 HB2 ASN 20 HB2 ASN 20 0.427 -10.528 0.845 129 HB3 ASN 20 HB3 ASN 20 0.765 -8.810 0.692 130 HD21 ASN 20 HD21 ASN 20 -1.206 -7.925 2.535 131 HD22 ASN 20 HD22 ASN 20 -0.679 -8.369 4.117 132 H ASP 21 HN ASP 21 -0.183 -7.646 -1.009 133 HA ASP 21 HA ASP 21 -0.782 -5.227 0.248 134 HB2 ASP 21 HB2 ASP 21 0.028 -5.932 -2.558 135 HB3 ASP 21 HB3 ASP 21 -0.318 -4.266 -2.109 136 H ASP 22 HN ASP 22 -2.691 -7.192 -1.866 137 HA ASP 22 HA ASP 22 -4.494 -5.175 -2.733 138 HB2 ASP 22 HB2 ASP 22 -4.499 -8.166 -2.718 139 HB3 ASP 22 HB3 ASP 22 -5.988 -7.302 -3.099 140 H SER 23 HN SER 23 -3.974 -6.399 0.296 141 HA SER 23 HA SER 23 -6.581 -5.439 1.201 142 HB2 SER 23 HB2 SER 23 -6.862 -7.863 0.975 143 HB3 SER 23 HB3 SER 23 -5.443 -8.129 1.988 144 HG SER 23 HG SER 23 -7.044 -8.244 3.421 145 H TYR 24 HN TYR 24 -3.350 -5.230 1.435 146 HA TYR 24 HA TYR 24 -3.462 -4.424 4.260 147 HB2 TYR 24 HB2 TYR 24 -1.884 -5.948 4.687 148 HB3 TYR 24 HB3 TYR 24 -1.744 -6.346 2.982 149 HD1 TYR 24 HD1 TYR 24 -0.496 -4.081 5.621 150 HD2 TYR 24 HD2 TYR 24 0.152 -5.668 1.728 151 HE1 TYR 24 HE1 TYR 24 1.746 -3.087 5.599 152 HE2 TYR 24 HE2 TYR 24 2.406 -4.681 1.697 153 HH TYR 24 HH TYR 24 3.903 -3.429 4.474 154 H PHE 25 HN PHE 25 -1.965 -3.889 1.100 155 HA PHE 25 HA PHE 25 -0.881 -1.333 1.947 156 HB2 PHE 25 HB2 PHE 25 0.632 -1.943 0.402 157 HB3 PHE 25 HB3 PHE 25 -0.423 -3.193 -0.235 158 HD1 PHE 25 HD2 PHE 25 0.583 0.327 -0.528 159 HD2 PHE 25 HD1 PHE 25 -1.740 -2.826 -2.191 160 HE1 PHE 25 HE2 PHE 25 0.262 1.651 -2.578 161 HE2 PHE 25 HE1 PHE 25 -2.067 -1.509 -4.244 162 HZ PHE 25 HZ PHE 25 -1.065 0.734 -4.437 163 H GLN 26 HN GLN 26 -3.626 -2.629 0.298 164 HA GLN 26 HA GLN 26 -4.569 0.105 -0.272 165 HB2 GLN 26 HB2 GLN 26 -4.153 -1.401 -2.268 166 HB3 GLN 26 HB3 GLN 26 -5.479 -2.399 -1.689 167 HG2 GLN 26 HG2 GLN 26 -7.029 -0.588 -1.951 168 HG3 GLN 26 HG3 GLN 26 -5.723 0.521 -2.361 169 HE21 GLN 26 HE21 GLN 26 -4.334 -1.479 -3.976 170 HE22 GLN 26 HE22 GLN 26 -5.228 -1.607 -5.448 171 H ARG 27 HN ARG 27 -5.180 -2.925 1.250 172 HA ARG 27 HA ARG 27 -6.793 -3.697 2.633 173 HB2 ARG 27 HB2 ARG 27 -6.145 -1.305 3.571 174 HB3 ARG 27 HB3 ARG 27 -7.811 -0.944 3.138 175 HG2 ARG 27 HG2 ARG 27 -8.538 -2.866 4.514 176 HG3 ARG 27 HG3 ARG 27 -6.862 -3.093 5.014 177 HD2 ARG 27 HD2 ARG 27 -8.574 -0.657 5.496 178 HD3 ARG 27 HD3 ARG 27 -8.074 -1.844 6.701 179 HE ARG 27 HE ARG 27 -5.788 -0.763 5.483 180 HH11 ARG 27 HH12 ARG 27 -8.373 0.164 7.627 181 HH12 ARG 27 HH11 ARG 27 -7.435 1.365 8.449 182 HH21 ARG 27 HH22 ARG 27 -4.544 0.821 6.558 183 HH22 ARG 27 HH21 ARG 27 -5.261 1.743 7.838 184 H LYS 28 HN LYS 28 -8.153 -4.770 1.255 185 HA LYS 28 HA LYS 28 -10.647 -3.373 0.608 186 HB2 LYS 28 HB2 LYS 28 -8.758 -4.541 -1.266 187 HB3 LYS 28 HB3 LYS 28 -10.357 -5.257 -1.422 188 HG2 LYS 28 HG2 LYS 28 -10.443 -3.492 -2.899 189 HG3 LYS 28 HG3 LYS 28 -11.185 -2.815 -1.449 190 HD2 LYS 28 HD2 LYS 28 -8.990 -1.840 -0.839 191 HD3 LYS 28 HD3 LYS 28 -8.342 -2.424 -2.372 192 HE2 LYS 28 HE2 LYS 28 -10.553 -0.414 -1.971 193 HE3 LYS 28 HE3 LYS 28 -8.938 -0.105 -2.607 194 HZ1 LYS 28 HZ1 LYS 28 -9.468 -1.519 -4.506 195 HZ2 LYS 28 HZ2 LYS 28 -10.551 -0.226 -4.385 196 HZ3 LYS 28 HZ3 LYS 28 -11.027 -1.776 -3.900 197 HA PRO 29 HA PRO 29 -11.374 -7.430 2.787 198 HB2 PRO 29 HB2 PRO 29 -13.005 -5.905 4.651 199 HB3 PRO 29 HB3 PRO 29 -11.587 -6.903 4.977 200 HG2 PRO 29 HG2 PRO 29 -11.579 -4.196 5.214 201 HG3 PRO 29 HG3 PRO 29 -10.137 -5.136 4.790 202 HD2 PRO 29 HD2 PRO 29 -11.981 -3.579 3.011 203 HD3 PRO 29 HD3 PRO 29 -10.207 -3.695 2.974 204 H LYS 30 HN LYS 30 -13.889 -4.921 3.078 205 HA LYS 30 HA LYS 30 -15.918 -6.777 2.218 206 HB2 LYS 30 HB2 LYS 30 -17.472 -4.899 2.566 207 HB3 LYS 30 HB3 LYS 30 -16.440 -5.168 3.965 208 HG2 LYS 30 HG2 LYS 30 -15.022 -3.298 3.279 209 HG3 LYS 30 HG3 LYS 30 -16.061 -3.029 1.879 210 HD2 LYS 30 HD2 LYS 30 -17.944 -2.551 3.341 211 HD3 LYS 30 HD3 LYS 30 -16.949 -2.885 4.758 212 HE2 LYS 30 HE2 LYS 30 -15.475 -1.021 4.148 213 HE3 LYS 30 HE3 LYS 30 -16.494 -0.681 2.750 214 HZ1 LYS 30 HZ1 LYS 30 -17.018 0.777 4.600 215 HZ2 LYS 30 HZ2 LYS 30 -17.357 -0.552 5.589 216 HZ3 LYS 30 HZ3 LYS 30 -18.336 -0.225 4.248 217 H LEU 31 HN LEU 31 -17.433 -6.279 0.473 218 HA LEU 31 HA LEU 31 -15.984 -5.388 -1.893 219 HB2 LEU 31 HB2 LEU 31 -18.675 -6.729 -1.618 220 HB3 LEU 31 HB3 LEU 31 -17.867 -6.383 -3.135 221 HG LEU 31 HG LEU 31 -16.740 -8.205 -1.010 222 HD11 LEU 31 HD11 LEU 31 -18.813 -9.129 -1.890 223 HD12 LEU 31 HD12 LEU 31 -18.226 -8.901 -3.539 224 HD13 LEU 31 HD13 LEU 31 -17.420 -10.045 -2.467 225 HD21 LEU 31 HD21 LEU 31 -15.073 -7.197 -2.487 226 HD22 LEU 31 HD22 LEU 31 -15.238 -8.926 -2.793 227 HD23 LEU 31 HD23 LEU 31 -15.974 -7.763 -3.894 228 H THR 32 HN THR 32 -19.035 -4.712 -0.207 229 HA THR 32 HA THR 32 -19.677 -2.520 -1.965 230 HB THR 32 HB THR 32 -21.603 -2.146 -0.511 231 HG1 THR 32 HG1 THR 32 -20.163 -3.871 1.180 232 HG21 THR 32 HG21 THR 32 -22.708 -4.320 -0.782 233 HG22 THR 32 HG22 THR 32 -21.142 -5.077 -1.074 234 HG23 THR 32 HG23 THR 32 -21.776 -3.889 -2.214 235 H GLU 33 HN GLU 33 -19.207 -0.426 -1.699 236 HA GLU 33 HA GLU 33 -18.709 0.757 0.852 237 HB2 GLU 33 HB2 GLU 33 -16.366 1.407 0.434 238 HB3 GLU 33 HB3 GLU 33 -16.556 -0.335 0.584 239 HG2 GLU 33 HG2 GLU 33 -16.500 -0.545 -1.854 240 HG3 GLU 33 HG3 GLU 33 -16.280 1.199 -1.990 241 H ALA 34 HN ALA 34 -18.608 0.930 -2.643 242 HA ALA 34 HA ALA 34 -18.990 3.844 -2.508 243 HB1 ALA 34 HB1 ALA 34 -18.286 3.912 -4.840 244 HB2 ALA 34 HB2 ALA 34 -17.070 3.113 -3.843 245 HB3 ALA 34 HB3 ALA 34 -18.145 2.155 -4.861 246 HA PRO 35 HA PRO 35 -23.191 3.442 -3.813 247 HB2 PRO 35 HB2 PRO 35 -23.502 5.671 -5.346 248 HB3 PRO 35 HB3 PRO 35 -23.427 5.713 -3.581 249 HG2 PRO 35 HG2 PRO 35 -21.272 6.275 -5.582 250 HG3 PRO 35 HG3 PRO 35 -21.677 7.154 -4.094 251 HD2 PRO 35 HD2 PRO 35 -19.620 5.411 -4.219 252 HD3 PRO 35 HD3 PRO 35 -20.587 5.627 -2.746 Start of MODEL 4 1 H1 GLU 1 H1 GLU 1 17.403 -2.970 22.400 2 H2 GLU 1 H2 GLU 1 18.355 -2.188 21.241 3 H3 GLU 1 H3 GLU 1 19.052 -2.724 22.686 4 HA GLU 1 HA GLU 1 19.624 -4.183 20.864 5 HB2 GLU 1 HB2 GLU 1 19.451 -5.135 23.101 6 HB3 GLU 1 HB3 GLU 1 17.721 -5.374 22.892 7 HG2 GLU 1 HG2 GLU 1 18.117 -7.009 21.161 8 HG3 GLU 1 HG3 GLU 1 19.852 -6.715 21.242 9 H HIS 2 HN HIS 2 16.218 -4.913 21.629 10 HA HIS 2 HA HIS 2 15.787 -5.775 18.902 11 HB2 HIS 2 HB2 HIS 2 13.576 -6.457 19.668 12 HB3 HIS 2 HB3 HIS 2 14.809 -7.035 20.783 13 HD1 HIS 2 HD1 HIS 2 14.993 -5.713 23.088 14 HD2 HIS 2 HD2 HIS 2 11.648 -4.853 20.778 15 HE1 HIS 2 HE1 HIS 2 13.381 -4.563 24.639 16 HE2 HIS 2 HE2 HIS 2 11.328 -4.138 23.242 17 H LYS 3 HN LYS 3 15.711 -2.856 20.471 18 HA LYS 3 HA LYS 3 13.533 -1.763 18.846 19 HB2 LYS 3 HB2 LYS 3 15.137 -0.502 21.078 20 HB3 LYS 3 HB3 LYS 3 13.796 0.261 20.234 21 HG2 LYS 3 HG2 LYS 3 12.281 -1.455 21.069 22 HG3 LYS 3 HG3 LYS 3 13.623 -2.242 21.900 23 HD2 LYS 3 HD2 LYS 3 13.958 -0.250 23.268 24 HD3 LYS 3 HD3 LYS 3 12.641 0.563 22.420 25 HE2 LYS 3 HE2 LYS 3 12.385 -1.951 24.067 26 HE3 LYS 3 HE3 LYS 3 11.926 -0.330 24.592 27 HZ1 LYS 3 HZ1 LYS 3 10.309 -0.255 22.788 28 HZ2 LYS 3 HZ2 LYS 3 10.009 -1.561 23.820 29 HZ3 LYS 3 HZ3 LYS 3 10.737 -1.824 22.315 30 H HIS 4 HN HIS 4 13.841 -0.067 17.396 31 HA HIS 4 HA HIS 4 16.616 0.677 16.799 32 HB2 HIS 4 HB2 HIS 4 14.568 -0.252 14.781 33 HB3 HIS 4 HB3 HIS 4 16.119 0.474 14.369 34 HD1 HIS 4 HD1 HIS 4 14.559 -2.697 15.509 35 HD2 HIS 4 HD2 HIS 4 18.370 -1.182 14.839 36 HE1 HIS 4 HE1 HIS 4 16.086 -4.695 15.510 37 HE2 HIS 4 HE2 HIS 4 18.382 -3.759 15.055 38 H SER 5 HN SER 5 13.466 1.332 15.296 39 HA SER 5 HA SER 5 13.302 3.996 16.293 40 HB2 SER 5 HB2 SER 5 15.089 4.372 14.664 41 HB3 SER 5 HB3 SER 5 14.102 3.650 13.393 42 HG SER 5 HG SER 5 13.151 5.498 13.157 43 H ASP 6 HN ASP 6 12.319 1.627 13.888 44 HA ASP 6 HA ASP 6 10.302 1.070 13.005 45 HB2 ASP 6 HB2 ASP 6 9.326 2.503 15.482 46 HB3 ASP 6 HB3 ASP 6 8.269 1.610 14.389 47 H GLU 7 HN GLU 7 10.242 2.136 11.093 48 HA GLU 7 HA GLU 7 8.380 4.253 10.767 49 HB2 GLU 7 HB2 GLU 7 10.253 5.598 11.662 50 HB3 GLU 7 HB3 GLU 7 11.294 4.985 10.384 51 HG2 GLU 7 HG2 GLU 7 10.542 7.203 9.839 52 HG3 GLU 7 HG3 GLU 7 9.840 6.041 8.714 53 H SER 8 HN SER 8 7.459 3.239 9.068 54 HA SER 8 HA SER 8 7.180 2.379 6.986 55 HB2 SER 8 HB2 SER 8 9.885 3.635 6.420 56 HB3 SER 8 HB3 SER 8 8.754 3.038 5.207 57 HG SER 8 HG SER 8 8.206 5.116 7.062 58 H THR 9 HN THR 9 8.951 1.262 9.250 59 HA THR 9 HA THR 9 10.935 -0.395 8.382 60 HB THR 9 HB THR 9 10.396 -0.216 10.738 61 HG1 THR 9 HG1 THR 9 10.442 -2.505 11.226 62 HG21 THR 9 HG21 THR 9 8.434 -1.339 11.693 63 HG22 THR 9 HG22 THR 9 7.886 -1.760 10.069 64 HG23 THR 9 HG23 THR 9 7.962 -0.070 10.564 65 H SER 10 HN SER 10 7.499 -0.702 8.014 66 HA SER 10 HA SER 10 7.774 -2.676 5.953 67 HB2 SER 10 HB2 SER 10 6.347 -3.420 8.523 68 HB3 SER 10 HB3 SER 10 6.308 -4.361 7.032 69 HG SER 10 HG SER 10 8.525 -4.700 7.235 70 H GLU 11 HN GLU 11 6.355 -0.069 7.314 71 HA GLU 11 HA GLU 11 3.633 -0.248 6.908 72 HB2 GLU 11 HB2 GLU 11 4.758 1.670 7.948 73 HB3 GLU 11 HB3 GLU 11 5.401 2.129 6.379 74 HG2 GLU 11 HG2 GLU 11 3.516 3.514 6.919 75 HG3 GLU 11 HG3 GLU 11 3.110 2.470 5.557 76 H SEP 12 HN SER 12 5.560 1.600 4.639 77 HA SEP 12 HA SER 12 3.753 0.944 2.488 78 HB2 SEP 12 HB2 SER 12 4.671 3.236 2.753 79 HB3 SEP 12 HB3 SER 12 6.287 2.604 2.440 80 H PHE 13 HN PHE 13 5.181 -1.251 3.565 81 HA PHE 13 HA PHE 13 6.566 -2.145 1.149 82 HB2 PHE 13 HB2 PHE 13 7.804 -1.740 3.777 83 HB3 PHE 13 HB3 PHE 13 8.084 -3.340 3.102 84 HD1 PHE 13 HD1 PHE 13 9.374 -3.628 1.079 85 HD2 PHE 13 HD2 PHE 13 8.708 0.237 2.726 86 HE1 PHE 13 HE1 PHE 13 11.166 -2.718 -0.345 87 HE2 PHE 13 HE2 PHE 13 10.497 1.157 1.307 88 HZ PHE 13 HZ PHE 13 11.727 -0.322 -0.232 89 H GLU 14 HN GLU 14 7.425 -4.615 2.199 90 HA GLU 14 HA GLU 14 6.709 -6.747 2.498 91 HB2 GLU 14 HB2 GLU 14 5.811 -5.377 4.645 92 HB3 GLU 14 HB3 GLU 14 4.285 -5.943 3.989 93 HG2 GLU 14 HG2 GLU 14 6.630 -7.662 4.762 94 HG3 GLU 14 HG3 GLU 14 5.137 -7.464 5.676 95 H SER 15 HN SER 15 5.736 -5.137 0.256 96 HA SER 15 HA SER 15 3.018 -5.963 -0.231 97 HB2 SER 15 HB2 SER 15 3.349 -4.904 -2.443 98 HB3 SER 15 HB3 SER 15 3.814 -3.831 -1.123 99 HG SER 15 HG SER 15 5.744 -3.783 -1.928 100 H ILE 16 HN ILE 16 2.569 -8.006 -0.711 101 HA ILE 16 HA ILE 16 4.534 -9.620 -2.167 102 HB ILE 16 HB ILE 16 1.961 -10.588 -0.925 103 HG12 ILE 16 HG12 ILE 16 4.715 -10.619 0.328 104 HG13 ILE 16 HG13 ILE 16 3.463 -9.454 0.741 105 HG21 ILE 16 HG21 ILE 16 3.107 -12.761 -0.951 106 HG22 ILE 16 HG22 ILE 16 2.953 -12.078 -2.570 107 HG23 ILE 16 HG23 ILE 16 4.500 -12.008 -1.727 108 HD11 ILE 16 HD11 ILE 16 3.539 -11.223 2.378 109 HD12 ILE 16 HD12 ILE 16 2.022 -11.299 1.480 110 HD13 ILE 16 HD13 ILE 16 3.320 -12.436 1.116 111 H ALA 17 HN ALA 17 1.480 -8.067 -2.528 112 HA ALA 17 HA ALA 17 0.105 -7.754 -4.310 113 HB1 ALA 17 HB1 ALA 17 2.192 -7.428 -5.569 114 HB2 ALA 17 HB2 ALA 17 2.238 -9.158 -5.914 115 HB3 ALA 17 HB3 ALA 17 0.925 -8.168 -6.550 116 H ASP 18 HN ASP 18 -1.738 -8.798 -4.491 117 HA ASP 18 HA ASP 18 -3.295 -10.418 -4.802 118 HB2 ASP 18 HB2 ASP 18 -1.009 -11.954 -6.055 119 HB3 ASP 18 HB3 ASP 18 -2.708 -12.407 -6.149 120 H ASN 19 HN ASN 19 -1.127 -10.438 -2.560 121 HA ASN 19 HA ASN 19 -2.219 -12.787 -1.241 122 HB2 ASN 19 HB2 ASN 19 0.761 -12.350 -1.539 123 HB3 ASN 19 HB3 ASN 19 0.013 -13.569 -0.515 124 HD21 ASN 19 HD21 ASN 19 0.820 -12.637 -3.735 125 HD22 ASN 19 HD22 ASN 19 0.416 -14.133 -4.497 126 H ASN 20 HN ASN 20 -1.088 -9.619 -1.224 127 HA ASN 20 HA ASN 20 -1.814 -9.254 1.525 128 HB2 ASN 20 HB2 ASN 20 0.374 -9.995 2.039 129 HB3 ASN 20 HB3 ASN 20 1.076 -9.107 0.690 130 HD21 ASN 20 HD21 ASN 20 1.039 -6.773 0.817 131 HD22 ASN 20 HD22 ASN 20 1.167 -6.012 2.363 132 H ASP 21 HN ASP 21 0.097 -7.787 -1.097 133 HA ASP 21 HA ASP 21 -0.198 -5.139 -0.551 134 HB2 ASP 21 HB2 ASP 21 1.059 -6.176 -2.492 135 HB3 ASP 21 HB3 ASP 21 -0.475 -6.242 -3.347 136 H ASP 22 HN ASP 22 -2.483 -7.115 -2.437 137 HA ASP 22 HA ASP 22 -4.413 -4.964 -2.509 138 HB2 ASP 22 HB2 ASP 22 -4.355 -7.786 -3.548 139 HB3 ASP 22 HB3 ASP 22 -5.816 -6.803 -3.630 140 H SER 23 HN SER 23 -3.744 -5.758 0.119 141 HA SER 23 HA SER 23 -6.382 -6.535 1.072 142 HB2 SER 23 HB2 SER 23 -4.748 -8.580 0.812 143 HB3 SER 23 HB3 SER 23 -4.042 -7.947 2.297 144 HG SER 23 HG SER 23 -5.585 -9.195 3.091 145 H TYR 24 HN TYR 24 -3.073 -6.084 2.321 146 HA TYR 24 HA TYR 24 -4.150 -4.406 4.472 147 HB2 TYR 24 HB2 TYR 24 -2.743 -5.657 5.697 148 HB3 TYR 24 HB3 TYR 24 -2.022 -6.342 4.246 149 HD1 TYR 24 HD1 TYR 24 -1.779 -3.671 6.729 150 HD2 TYR 24 HD2 TYR 24 0.071 -5.524 3.382 151 HE1 TYR 24 HE1 TYR 24 0.284 -2.439 7.208 152 HE2 TYR 24 HE2 TYR 24 2.152 -4.298 3.847 153 HH TYR 24 HH TYR 24 2.883 -2.280 4.995 154 H PHE 25 HN PHE 25 -1.881 -4.402 1.806 155 HA PHE 25 HA PHE 25 -0.728 -1.853 2.363 156 HB2 PHE 25 HB2 PHE 25 0.304 -3.683 0.988 157 HB3 PHE 25 HB3 PHE 25 -0.854 -3.310 -0.275 158 HD1 PHE 25 HD1 PHE 25 1.565 -1.513 1.896 159 HD2 PHE 25 HD2 PHE 25 -0.122 -1.997 -1.972 160 HE1 PHE 25 HE1 PHE 25 3.077 0.220 1.040 161 HE2 PHE 25 HE2 PHE 25 1.398 -0.262 -2.853 162 HZ PHE 25 HZ PHE 25 3.019 0.812 -1.390 163 H GLN 26 HN GLN 26 -3.350 -3.040 0.345 164 HA GLN 26 HA GLN 26 -3.912 -0.362 -0.627 165 HB2 GLN 26 HB2 GLN 26 -5.101 -3.059 -1.277 166 HB3 GLN 26 HB3 GLN 26 -5.699 -1.555 -1.953 167 HG2 GLN 26 HG2 GLN 26 -2.867 -2.508 -2.261 168 HG3 GLN 26 HG3 GLN 26 -4.149 -2.845 -3.422 169 HE21 GLN 26 HE21 GLN 26 -3.122 -1.740 -5.068 170 HE22 GLN 26 HE22 GLN 26 -3.009 -0.016 -5.103 171 H ARG 27 HN ARG 27 -4.961 -2.593 1.754 172 HA ARG 27 HA ARG 27 -6.565 -2.563 3.353 173 HB2 ARG 27 HB2 ARG 27 -6.553 0.382 2.693 174 HB3 ARG 27 HB3 ARG 27 -7.424 -0.317 4.050 175 HG2 ARG 27 HG2 ARG 27 -5.341 -1.100 5.018 176 HG3 ARG 27 HG3 ARG 27 -4.445 -0.465 3.636 177 HD2 ARG 27 HD2 ARG 27 -4.334 1.042 5.568 178 HD3 ARG 27 HD3 ARG 27 -5.144 1.794 4.194 179 HE ARG 27 HE ARG 27 -7.121 0.648 5.764 180 HH11 ARG 27 HH12 ARG 27 -4.692 3.125 6.072 181 HH12 ARG 27 HH11 ARG 27 -5.608 4.065 7.202 182 HH21 ARG 27 HH22 ARG 27 -8.333 1.875 7.257 183 HH22 ARG 27 HH21 ARG 27 -7.676 3.351 7.879 184 H LYS 28 HN LYS 28 -8.120 -3.817 2.421 185 HA LYS 28 HA LYS 28 -10.439 -2.372 1.352 186 HB2 LYS 28 HB2 LYS 28 -8.914 -4.560 0.047 187 HB3 LYS 28 HB3 LYS 28 -10.668 -4.644 -0.058 188 HG2 LYS 28 HG2 LYS 28 -10.125 -3.494 -1.971 189 HG3 LYS 28 HG3 LYS 28 -10.483 -2.180 -0.849 190 HD2 LYS 28 HD2 LYS 28 -8.073 -1.948 -0.394 191 HD3 LYS 28 HD3 LYS 28 -7.742 -3.232 -1.557 192 HE2 LYS 28 HE2 LYS 28 -9.040 -0.570 -2.140 193 HE3 LYS 28 HE3 LYS 28 -7.399 -1.049 -2.570 194 HZ1 LYS 28 HZ1 LYS 28 -9.887 -2.319 -3.580 195 HZ2 LYS 28 HZ2 LYS 28 -8.310 -2.764 -4.004 196 HZ3 LYS 28 HZ3 LYS 28 -8.908 -1.245 -4.447 197 HA PRO 29 HA PRO 29 -11.574 -5.152 4.903 198 HB2 PRO 29 HB2 PRO 29 -13.543 -2.991 5.331 199 HB3 PRO 29 HB3 PRO 29 -12.417 -3.728 6.474 200 HG2 PRO 29 HG2 PRO 29 -12.027 -1.250 5.548 201 HG3 PRO 29 HG3 PRO 29 -10.667 -2.351 5.842 202 HD2 PRO 29 HD2 PRO 29 -11.988 -1.620 3.254 203 HD3 PRO 29 HD3 PRO 29 -10.261 -1.812 3.621 204 H LYS 30 HN LYS 30 -13.824 -3.232 2.909 205 HA LYS 30 HA LYS 30 -16.022 -4.961 3.176 206 HB2 LYS 30 HB2 LYS 30 -15.355 -3.045 0.932 207 HB3 LYS 30 HB3 LYS 30 -16.927 -3.789 1.195 208 HG2 LYS 30 HG2 LYS 30 -15.542 -1.954 3.140 209 HG3 LYS 30 HG3 LYS 30 -16.805 -1.469 2.009 210 HD2 LYS 30 HD2 LYS 30 -17.134 -3.576 4.143 211 HD3 LYS 30 HD3 LYS 30 -17.634 -1.893 4.314 212 HE2 LYS 30 HE2 LYS 30 -19.137 -2.159 2.390 213 HE3 LYS 30 HE3 LYS 30 -18.650 -3.848 2.253 214 HZ1 LYS 30 HZ1 LYS 30 -20.006 -2.633 4.600 215 HZ2 LYS 30 HZ2 LYS 30 -19.558 -4.256 4.449 216 HZ3 LYS 30 HZ3 LYS 30 -20.748 -3.609 3.434 217 H LEU 31 HN LEU 31 -15.951 -7.048 2.657 218 HA LEU 31 HA LEU 31 -14.589 -7.860 0.183 219 HB2 LEU 31 HB2 LEU 31 -15.456 -9.475 2.579 220 HB3 LEU 31 HB3 LEU 31 -14.752 -10.164 1.131 221 HG LEU 31 HG LEU 31 -13.362 -8.202 2.957 222 HD11 LEU 31 HD11 LEU 31 -13.042 -11.186 2.670 223 HD12 LEU 31 HD12 LEU 31 -12.011 -10.133 3.637 224 HD13 LEU 31 HD13 LEU 31 -13.709 -10.335 4.063 225 HD21 LEU 31 HD21 LEU 31 -12.375 -9.791 0.590 226 HD22 LEU 31 HD22 LEU 31 -12.565 -8.040 0.675 227 HD23 LEU 31 HD23 LEU 31 -11.357 -8.845 1.675 228 H THR 32 HN THR 32 -17.460 -8.885 2.047 229 HA THR 32 HA THR 32 -18.735 -10.039 -0.214 230 HB THR 32 HB THR 32 -19.258 -10.811 2.043 231 HG1 THR 32 HG1 THR 32 -20.955 -10.436 0.149 232 HG21 THR 32 HG21 THR 32 -20.532 -8.098 2.424 233 HG22 THR 32 HG22 THR 32 -19.074 -8.679 3.227 234 HG23 THR 32 HG23 THR 32 -20.626 -9.450 3.554 235 H GLU 33 HN GLU 33 -20.894 -9.370 -1.004 236 HA GLU 33 HA GLU 33 -20.834 -6.563 -1.716 237 HB2 GLU 33 HB2 GLU 33 -21.282 -8.272 -3.427 238 HB3 GLU 33 HB3 GLU 33 -22.729 -8.764 -2.557 239 HG2 GLU 33 HG2 GLU 33 -23.710 -6.562 -2.932 240 HG3 GLU 33 HG3 GLU 33 -22.256 -6.060 -3.794 241 H ALA 34 HN ALA 34 -22.030 -5.015 -0.833 242 HA ALA 34 HA ALA 34 -24.379 -5.782 0.765 243 HB1 ALA 34 HB1 ALA 34 -23.831 -4.036 2.374 244 HB2 ALA 34 HB2 ALA 34 -22.518 -5.206 2.246 245 HB3 ALA 34 HB3 ALA 34 -22.380 -3.634 1.459 246 HA PRO 35 HA PRO 35 -26.823 -2.979 -1.608 247 HB2 PRO 35 HB2 PRO 35 -27.812 -1.913 0.992 248 HB3 PRO 35 HB3 PRO 35 -28.722 -2.529 -0.392 249 HG2 PRO 35 HG2 PRO 35 -28.454 -3.994 1.811 250 HG3 PRO 35 HG3 PRO 35 -28.384 -4.744 0.206 251 HD2 PRO 35 HD2 PRO 35 -26.167 -4.107 2.102 252 HD3 PRO 35 HD3 PRO 35 -26.358 -5.498 1.015 Start of MODEL 5 1 H1 GLU 1 H1 GLU 1 1.388 13.807 17.882 2 H2 GLU 1 H2 GLU 1 1.179 12.142 18.091 3 H3 GLU 1 H3 GLU 1 0.134 13.004 17.079 4 HA GLU 1 HA GLU 1 3.037 12.658 16.625 5 HB2 GLU 1 HB2 GLU 1 2.473 11.080 14.892 6 HB3 GLU 1 HB3 GLU 1 1.735 10.549 16.395 7 HG2 GLU 1 HG2 GLU 1 0.277 12.061 14.241 8 HG3 GLU 1 HG3 GLU 1 0.293 10.304 14.386 9 H HIS 2 HN HIS 2 3.811 13.537 14.693 10 HA HIS 2 HA HIS 2 2.110 15.672 13.607 11 HB2 HIS 2 HB2 HIS 2 4.219 16.748 12.914 12 HB3 HIS 2 HB3 HIS 2 4.171 16.452 14.650 13 HD1 HIS 2 HD1 HIS 2 5.799 14.669 15.593 14 HD2 HIS 2 HD2 HIS 2 6.172 15.332 11.509 15 HE1 HIS 2 HE1 HIS 2 7.962 13.571 14.929 16 HE2 HIS 2 HE2 HIS 2 8.225 14.092 12.478 17 H LYS 3 HN LYS 3 3.600 12.706 12.819 18 HA LYS 3 HA LYS 3 3.855 13.163 9.998 19 HB2 LYS 3 HB2 LYS 3 3.843 10.598 11.596 20 HB3 LYS 3 HB3 LYS 3 4.221 10.708 9.882 21 HG2 LYS 3 HG2 LYS 3 6.136 12.140 10.397 22 HG3 LYS 3 HG3 LYS 3 5.761 12.014 12.116 23 HD2 LYS 3 HD2 LYS 3 6.362 9.651 10.345 24 HD3 LYS 3 HD3 LYS 3 7.571 10.476 11.329 25 HE2 LYS 3 HE2 LYS 3 6.276 9.958 13.342 26 HE3 LYS 3 HE3 LYS 3 5.073 9.129 12.355 27 HZ1 LYS 3 HZ1 LYS 3 7.930 8.347 12.571 28 HZ2 LYS 3 HZ2 LYS 3 6.734 7.527 11.701 29 HZ3 LYS 3 HZ3 LYS 3 6.654 7.596 13.389 30 H HIS 4 HN HIS 4 2.587 12.240 8.337 31 HA HIS 4 HA HIS 4 -0.016 11.148 9.064 32 HB2 HIS 4 HB2 HIS 4 -0.431 13.545 8.993 33 HB3 HIS 4 HB3 HIS 4 0.322 13.657 7.407 34 HD1 HIS 4 HD1 HIS 4 -1.243 13.569 5.494 35 HD2 HIS 4 HD2 HIS 4 -2.863 11.826 8.900 36 HE1 HIS 4 HE1 HIS 4 -3.602 12.955 4.877 37 HE2 HIS 4 HE2 HIS 4 -4.562 11.895 6.952 38 H SER 5 HN SER 5 -0.505 9.503 7.786 39 HA SER 5 HA SER 5 -0.495 8.018 6.068 40 HB2 SER 5 HB2 SER 5 -1.538 9.882 4.847 41 HB3 SER 5 HB3 SER 5 0.057 10.480 4.393 42 HG SER 5 HG SER 5 -0.617 7.832 3.782 43 H ASP 6 HN ASP 6 2.118 9.038 7.356 44 HA ASP 6 HA ASP 6 4.326 8.529 7.273 45 HB2 ASP 6 HB2 ASP 6 3.552 6.239 6.934 46 HB3 ASP 6 HB3 ASP 6 3.405 6.521 5.202 47 H GLU 7 HN GLU 7 3.755 7.776 3.873 48 HA GLU 7 HA GLU 7 4.407 10.238 2.742 49 HB2 GLU 7 HB2 GLU 7 6.758 9.705 1.966 50 HB3 GLU 7 HB3 GLU 7 6.592 10.139 3.660 51 HG2 GLU 7 HG2 GLU 7 6.681 7.769 4.267 52 HG3 GLU 7 HG3 GLU 7 6.876 7.351 2.565 53 H SER 8 HN SER 8 5.286 6.813 2.302 54 HA SER 8 HA SER 8 4.029 6.931 -0.359 55 HB2 SER 8 HB2 SER 8 6.278 5.125 0.576 56 HB3 SER 8 HB3 SER 8 5.553 5.117 -1.033 57 HG SER 8 HG SER 8 6.308 7.607 -0.412 58 H THR 9 HN THR 9 3.365 6.129 2.615 59 HA THR 9 HA THR 9 2.110 4.604 3.723 60 HB THR 9 HB THR 9 0.098 3.905 2.642 61 HG1 THR 9 HG1 THR 9 0.237 4.649 0.166 62 HG21 THR 9 HG21 THR 9 -0.697 6.019 1.670 63 HG22 THR 9 HG22 THR 9 0.971 6.583 1.564 64 HG23 THR 9 HG23 THR 9 0.240 6.281 3.140 65 H SER 10 HN SER 10 3.910 3.204 4.069 66 HA SER 10 HA SER 10 4.941 1.183 4.130 67 HB2 SER 10 HB2 SER 10 2.643 0.351 4.473 68 HB3 SER 10 HB3 SER 10 2.436 0.218 2.727 69 HG SER 10 HG SER 10 3.516 -1.583 2.753 70 H GLU 11 HN GLU 11 5.263 2.995 1.821 71 HA GLU 11 HA GLU 11 6.379 3.062 -0.158 72 HB2 GLU 11 HB2 GLU 11 7.142 0.242 0.618 73 HB3 GLU 11 HB3 GLU 11 7.874 1.151 -0.696 74 HG2 GLU 11 HG2 GLU 11 8.703 2.801 0.884 75 HG3 GLU 11 HG3 GLU 11 7.934 1.931 2.211 76 H SEP 12 HN SER 12 3.604 1.787 0.142 77 HA SEP 12 HA SER 12 1.971 1.074 -1.260 78 HB2 SEP 12 HB2 SER 12 4.084 1.428 -3.398 79 HB3 SEP 12 HB3 SER 12 2.375 1.117 -3.708 80 H PHE 13 HN PHE 13 4.766 -0.604 -0.684 81 HA PHE 13 HA PHE 13 3.598 -3.127 -0.843 82 HB2 PHE 13 HB2 PHE 13 4.864 -4.112 -2.738 83 HB3 PHE 13 HB3 PHE 13 3.693 -2.906 -3.255 84 HD1 PHE 13 HD1 PHE 13 4.426 -0.748 -4.115 85 HD2 PHE 13 HD2 PHE 13 7.225 -3.746 -2.976 86 HE1 PHE 13 HE1 PHE 13 6.203 0.457 -5.319 87 HE2 PHE 13 HE2 PHE 13 9.005 -2.547 -4.179 88 HZ PHE 13 HZ PHE 13 8.482 -0.458 -5.385 89 H GLU 14 HN GLU 14 4.782 -4.566 0.289 90 HA GLU 14 HA GLU 14 7.617 -4.414 0.531 91 HB2 GLU 14 HB2 GLU 14 6.926 -2.576 2.043 92 HB3 GLU 14 HB3 GLU 14 5.949 -3.718 2.957 93 HG2 GLU 14 HG2 GLU 14 7.932 -4.955 3.585 94 HG3 GLU 14 HG3 GLU 14 8.934 -3.874 2.618 95 H SER 15 HN SER 15 4.592 -5.853 0.996 96 HA SER 15 HA SER 15 5.693 -8.164 2.414 97 HB2 SER 15 HB2 SER 15 3.433 -8.824 2.835 98 HB3 SER 15 HB3 SER 15 3.497 -7.084 3.101 99 HG SER 15 HG SER 15 2.558 -6.768 1.092 100 H ILE 16 HN ILE 16 3.849 -10.068 1.375 101 HA ILE 16 HA ILE 16 5.293 -11.043 -0.832 102 HB ILE 16 HB ILE 16 2.608 -11.827 0.304 103 HG12 ILE 16 HG12 ILE 16 4.023 -13.902 0.908 104 HG13 ILE 16 HG13 ILE 16 5.418 -12.896 0.538 105 HG21 ILE 16 HG21 ILE 16 4.170 -13.156 -1.906 106 HG22 ILE 16 HG22 ILE 16 2.814 -13.894 -1.054 107 HG23 ILE 16 HG23 ILE 16 2.564 -12.440 -2.018 108 HD11 ILE 16 HD11 ILE 16 4.761 -13.043 2.958 109 HD12 ILE 16 HD12 ILE 16 4.929 -11.412 2.306 110 HD13 ILE 16 HD13 ILE 16 3.326 -12.107 2.540 111 H ALA 17 HN ALA 17 2.298 -9.216 -0.578 112 HA ALA 17 HA ALA 17 0.993 -8.160 -2.108 113 HB1 ALA 17 HB1 ALA 17 3.424 -8.338 -3.880 114 HB2 ALA 17 HB2 ALA 17 2.045 -7.258 -4.093 115 HB3 ALA 17 HB3 ALA 17 3.106 -7.068 -2.697 116 H ASP 18 HN ASP 18 0.321 -8.318 -4.604 117 HA ASP 18 HA ASP 18 -0.745 -9.533 -6.194 118 HB2 ASP 18 HB2 ASP 18 1.502 -10.551 -6.552 119 HB3 ASP 18 HB3 ASP 18 1.089 -11.800 -5.382 120 H ASN 19 HN ASN 19 -0.985 -9.969 -3.052 121 HA ASN 19 HA ASN 19 -3.529 -11.113 -3.068 122 HB2 ASN 19 HB2 ASN 19 -3.180 -13.257 -2.139 123 HB3 ASN 19 HB3 ASN 19 -2.090 -13.164 -3.510 124 HD21 ASN 19 HD21 ASN 19 -0.249 -11.395 -2.029 125 HD22 ASN 19 HD22 ASN 19 0.599 -12.429 -0.935 126 H ASN 20 HN ASN 20 -0.980 -9.523 -1.729 127 HA ASN 20 HA ASN 20 -2.148 -9.526 0.972 128 HB2 ASN 20 HB2 ASN 20 0.347 -10.208 0.518 129 HB3 ASN 20 HB3 ASN 20 0.598 -8.474 0.385 130 HD21 ASN 20 HD21 ASN 20 -1.454 -7.847 2.328 131 HD22 ASN 20 HD22 ASN 20 -0.798 -8.239 3.876 132 H ASP 21 HN ASP 21 -0.359 -7.372 -1.233 133 HA ASP 21 HA ASP 21 -0.982 -4.956 -0.026 134 HB2 ASP 21 HB2 ASP 21 -0.357 -3.902 -2.107 135 HB3 ASP 21 HB3 ASP 21 0.697 -5.288 -1.837 136 H ASP 22 HN ASP 22 -2.976 -7.006 -1.964 137 HA ASP 22 HA ASP 22 -4.846 -5.151 -2.920 138 HB2 ASP 22 HB2 ASP 22 -4.522 -7.637 -3.503 139 HB3 ASP 22 HB3 ASP 22 -5.543 -7.961 -2.105 140 H SER 23 HN SER 23 -4.176 -6.068 0.244 141 HA SER 23 HA SER 23 -6.509 -4.662 1.233 142 HB2 SER 23 HB2 SER 23 -7.263 -7.018 1.077 143 HB3 SER 23 HB3 SER 23 -5.922 -7.494 2.118 144 HG SER 23 HG SER 23 -6.835 -6.380 3.797 145 H TYR 24 HN TYR 24 -3.388 -4.833 1.189 146 HA TYR 24 HA TYR 24 -3.051 -4.226 4.048 147 HB2 TYR 24 HB2 TYR 24 -1.805 -6.148 3.933 148 HB3 TYR 24 HB3 TYR 24 -1.453 -5.949 2.225 149 HD1 TYR 24 HD1 TYR 24 -0.703 -4.184 5.425 150 HD2 TYR 24 HD2 TYR 24 0.774 -5.605 1.698 151 HE1 TYR 24 HE1 TYR 24 1.531 -3.358 6.008 152 HE2 TYR 24 HE2 TYR 24 3.022 -4.789 2.274 153 HH TYR 24 HH TYR 24 4.082 -3.179 3.724 154 H PHE 25 HN PHE 25 -2.308 -3.459 0.733 155 HA PHE 25 HA PHE 25 -0.803 -1.084 1.535 156 HB2 PHE 25 HB2 PHE 25 0.383 -1.624 -0.291 157 HB3 PHE 25 HB3 PHE 25 -0.805 -2.823 -0.775 158 HD1 PHE 25 HD1 PHE 25 0.222 0.689 -1.096 159 HD2 PHE 25 HD2 PHE 25 -2.415 -2.352 -2.476 160 HE1 PHE 25 HE1 PHE 25 -0.412 2.109 -3.002 161 HE2 PHE 25 HE2 PHE 25 -3.054 -0.937 -4.386 162 HZ PHE 25 HZ PHE 25 -2.055 1.288 -4.657 163 H GLN 26 HN GLN 26 -3.863 -2.114 0.294 164 HA GLN 26 HA GLN 26 -4.732 0.699 0.131 165 HB2 GLN 26 HB2 GLN 26 -6.377 0.001 -1.568 166 HB3 GLN 26 HB3 GLN 26 -4.725 -0.285 -2.096 167 HG2 GLN 26 HG2 GLN 26 -4.938 -2.641 -1.563 168 HG3 GLN 26 HG3 GLN 26 -6.573 -2.373 -0.964 169 HE21 GLN 26 HE21 GLN 26 -7.185 -0.446 -3.079 170 HE22 GLN 26 HE22 GLN 26 -7.432 -1.377 -4.512 171 H ARG 27 HN ARG 27 -5.380 -2.542 1.218 172 HA ARG 27 HA ARG 27 -6.870 -3.419 2.691 173 HB2 ARG 27 HB2 ARG 27 -7.103 -0.539 3.580 174 HB3 ARG 27 HB3 ARG 27 -7.713 -1.925 4.475 175 HG2 ARG 27 HG2 ARG 27 -5.445 -2.784 4.713 176 HG3 ARG 27 HG3 ARG 27 -4.825 -1.412 3.794 177 HD2 ARG 27 HD2 ARG 27 -6.303 -1.250 6.418 178 HD3 ARG 27 HD3 ARG 27 -4.559 -1.094 6.212 179 HE ARG 27 HE ARG 27 -5.743 0.796 4.561 180 HH11 ARG 27 HH12 ARG 27 -5.549 0.095 7.969 181 HH12 ARG 27 HH11 ARG 27 -5.696 1.753 8.449 182 HH21 ARG 27 HH22 ARG 27 -5.945 2.980 5.184 183 HH22 ARG 27 HH21 ARG 27 -5.921 3.393 6.867 184 H LYS 28 HN LYS 28 -8.230 -3.920 0.851 185 HA LYS 28 HA LYS 28 -10.791 -2.487 0.991 186 HB2 LYS 28 HB2 LYS 28 -9.122 -3.056 -1.390 187 HB3 LYS 28 HB3 LYS 28 -10.848 -3.334 -1.567 188 HG2 LYS 28 HG2 LYS 28 -10.516 -1.145 -2.299 189 HG3 LYS 28 HG3 LYS 28 -11.153 -0.972 -0.661 190 HD2 LYS 28 HD2 LYS 28 -8.935 -0.568 0.201 191 HD3 LYS 28 HD3 LYS 28 -8.223 -0.891 -1.380 192 HE2 LYS 28 HE2 LYS 28 -10.117 1.363 -0.722 193 HE3 LYS 28 HE3 LYS 28 -8.373 1.514 -0.918 194 HZ1 LYS 28 HZ1 LYS 28 -9.547 2.165 -2.924 195 HZ2 LYS 28 HZ2 LYS 28 -10.281 0.645 -3.023 196 HZ3 LYS 28 HZ3 LYS 28 -8.607 0.789 -3.213 197 HA PRO 29 HA PRO 29 -11.408 -7.022 1.752 198 HB2 PRO 29 HB2 PRO 29 -13.454 -6.032 3.616 199 HB3 PRO 29 HB3 PRO 29 -12.103 -7.128 3.917 200 HG2 PRO 29 HG2 PRO 29 -12.136 -4.618 4.885 201 HG3 PRO 29 HG3 PRO 29 -10.633 -5.405 4.367 202 HD2 PRO 29 HD2 PRO 29 -12.316 -3.395 2.914 203 HD3 PRO 29 HD3 PRO 29 -10.548 -3.488 3.058 204 H LYS 30 HN LYS 30 -13.921 -4.504 1.753 205 HA LYS 30 HA LYS 30 -15.558 -6.218 0.007 206 HB2 LYS 30 HB2 LYS 30 -17.483 -4.828 0.791 207 HB3 LYS 30 HB3 LYS 30 -16.718 -5.765 2.066 208 HG2 LYS 30 HG2 LYS 30 -15.770 -2.987 1.654 209 HG3 LYS 30 HG3 LYS 30 -17.367 -3.214 2.371 210 HD2 LYS 30 HD2 LYS 30 -14.885 -4.581 3.394 211 HD3 LYS 30 HD3 LYS 30 -15.448 -3.023 3.999 212 HE2 LYS 30 HE2 LYS 30 -17.592 -4.061 4.618 213 HE3 LYS 30 HE3 LYS 30 -16.989 -5.617 4.053 214 HZ1 LYS 30 HZ1 LYS 30 -16.788 -5.379 6.455 215 HZ2 LYS 30 HZ2 LYS 30 -15.804 -4.016 6.257 216 HZ3 LYS 30 HZ3 LYS 30 -15.266 -5.533 5.731 217 H LEU 31 HN LEU 31 -13.377 -3.999 -0.339 218 HA LEU 31 HA LEU 31 -12.872 -2.351 -1.812 219 HB2 LEU 31 HB2 LEU 31 -15.064 -3.784 -3.295 220 HB3 LEU 31 HB3 LEU 31 -14.210 -2.420 -3.993 221 HG LEU 31 HG LEU 31 -12.066 -3.752 -3.576 222 HD11 LEU 31 HD11 LEU 31 -13.716 -6.206 -3.687 223 HD12 LEU 31 HD12 LEU 31 -12.120 -5.940 -2.987 224 HD13 LEU 31 HD13 LEU 31 -13.562 -5.404 -2.124 225 HD21 LEU 31 HD21 LEU 31 -14.087 -4.794 -5.557 226 HD22 LEU 31 HD22 LEU 31 -13.034 -3.399 -5.788 227 HD23 LEU 31 HD23 LEU 31 -12.339 -5.014 -5.646 228 H THR 32 HN THR 32 -13.435 -0.654 -0.445 229 HA THR 32 HA THR 32 -14.530 1.211 0.255 230 HB THR 32 HB THR 32 -15.585 2.579 -1.423 231 HG1 THR 32 HG1 THR 32 -16.746 1.646 -2.914 232 HG21 THR 32 HG21 THR 32 -13.329 0.987 -2.645 233 HG22 THR 32 HG22 THR 32 -13.153 2.373 -1.568 234 HG23 THR 32 HG23 THR 32 -13.865 2.585 -3.168 235 H GLU 33 HN GLU 33 -16.946 2.317 -0.030 236 HA GLU 33 HA GLU 33 -19.078 2.225 0.752 237 HB2 GLU 33 HB2 GLU 33 -18.998 -0.469 -0.617 238 HB3 GLU 33 HB3 GLU 33 -20.463 0.298 -0.017 239 HG2 GLU 33 HG2 GLU 33 -20.179 2.133 -1.560 240 HG3 GLU 33 HG3 GLU 33 -18.646 1.462 -2.116 241 H ALA 34 HN ALA 34 -20.676 0.346 1.849 242 HA ALA 34 HA ALA 34 -19.157 -1.128 3.850 243 HB1 ALA 34 HB1 ALA 34 -20.331 -0.109 5.730 244 HB2 ALA 34 HB2 ALA 34 -19.411 1.098 4.832 245 HB3 ALA 34 HB3 ALA 34 -21.160 0.990 4.628 246 HA PRO 35 HA PRO 35 -22.350 -4.138 3.453 247 HB2 PRO 35 HB2 PRO 35 -22.346 -4.381 6.413 248 HB3 PRO 35 HB3 PRO 35 -22.077 -5.618 5.182 249 HG2 PRO 35 HG2 PRO 35 -20.046 -4.660 6.617 250 HG3 PRO 35 HG3 PRO 35 -19.849 -5.039 4.895 251 HD2 PRO 35 HD2 PRO 35 -20.189 -2.382 6.226 252 HD3 PRO 35 HD3 PRO 35 -19.150 -2.834 4.859 Start of MODEL 6 1 H1 GLU 1 H1 GLU 1 16.048 -0.869 -2.201 2 H2 GLU 1 H2 GLU 1 15.195 0.234 -1.246 3 H3 GLU 1 H3 GLU 1 15.764 0.699 -2.769 4 HA GLU 1 HA GLU 1 14.291 -0.834 -3.855 5 HB2 GLU 1 HB2 GLU 1 13.333 -1.448 -1.051 6 HB3 GLU 1 HB3 GLU 1 12.606 -2.054 -2.533 7 HG2 GLU 1 HG2 GLU 1 15.396 -2.641 -1.566 8 HG3 GLU 1 HG3 GLU 1 14.013 -3.732 -1.477 9 H HIS 2 HN HIS 2 13.397 0.953 -0.909 10 HA HIS 2 HA HIS 2 11.254 2.275 -2.419 11 HB2 HIS 2 HB2 HIS 2 10.432 3.010 -0.193 12 HB3 HIS 2 HB3 HIS 2 10.519 1.258 -0.345 13 HD1 HIS 2 HD1 HIS 2 11.961 4.132 1.526 14 HD2 HIS 2 HD2 HIS 2 12.493 0.020 1.253 15 HE1 HIS 2 HE1 HIS 2 13.383 3.506 3.502 16 HE2 HIS 2 HE2 HIS 2 13.716 1.017 3.302 17 H LYS 3 HN LYS 3 11.244 4.431 -2.799 18 HA LYS 3 HA LYS 3 13.686 5.857 -2.661 19 HB2 LYS 3 HB2 LYS 3 12.023 6.245 -4.419 20 HB3 LYS 3 HB3 LYS 3 10.883 6.840 -3.223 21 HG2 LYS 3 HG2 LYS 3 12.419 8.696 -2.716 22 HG3 LYS 3 HG3 LYS 3 13.504 8.113 -3.982 23 HD2 LYS 3 HD2 LYS 3 11.734 8.419 -5.639 24 HD3 LYS 3 HD3 LYS 3 10.645 8.992 -4.376 25 HE2 LYS 3 HE2 LYS 3 13.220 10.298 -5.251 26 HE3 LYS 3 HE3 LYS 3 11.588 10.867 -5.602 27 HZ1 LYS 3 HZ1 LYS 3 11.234 11.182 -3.229 28 HZ2 LYS 3 HZ2 LYS 3 12.563 12.083 -3.763 29 HZ3 LYS 3 HZ3 LYS 3 12.806 10.648 -2.901 30 H HIS 4 HN HIS 4 14.409 7.384 -1.257 31 HA HIS 4 HA HIS 4 13.074 7.555 1.305 32 HB2 HIS 4 HB2 HIS 4 15.676 8.746 0.329 33 HB3 HIS 4 HB3 HIS 4 15.087 8.849 1.984 34 HD1 HIS 4 HD1 HIS 4 17.024 6.733 -0.262 35 HD2 HIS 4 HD2 HIS 4 14.911 6.236 3.282 36 HE1 HIS 4 HE1 HIS 4 17.822 4.547 0.693 37 HE2 HIS 4 HE2 HIS 4 16.548 4.279 2.852 38 H SER 5 HN SER 5 11.461 8.949 1.539 39 HA SER 5 HA SER 5 11.869 11.745 1.103 40 HB2 SER 5 HB2 SER 5 11.301 11.108 -1.192 41 HB3 SER 5 HB3 SER 5 9.826 10.325 -0.624 42 HG SER 5 HG SER 5 10.093 12.812 -1.348 43 H ASP 6 HN ASP 6 9.927 9.052 2.064 44 HA ASP 6 HA ASP 6 8.268 8.780 3.592 45 HB2 ASP 6 HB2 ASP 6 9.340 11.398 4.668 46 HB3 ASP 6 HB3 ASP 6 8.265 10.305 5.533 47 H GLU 7 HN GLU 7 6.470 8.917 2.312 48 HA GLU 7 HA GLU 7 4.893 11.351 2.600 49 HB2 GLU 7 HB2 GLU 7 5.648 10.164 -0.074 50 HB3 GLU 7 HB3 GLU 7 4.286 11.253 0.139 51 HG2 GLU 7 HG2 GLU 7 7.110 11.962 0.883 52 HG3 GLU 7 HG3 GLU 7 6.396 12.310 -0.690 53 H SER 8 HN SER 8 4.747 8.428 0.593 54 HA SER 8 HA SER 8 2.232 7.710 1.949 55 HB2 SER 8 HB2 SER 8 3.116 7.129 -0.893 56 HB3 SER 8 HB3 SER 8 1.634 6.518 -0.156 57 HG SER 8 HG SER 8 0.733 8.412 -0.397 58 H THR 9 HN THR 9 5.372 7.040 1.914 59 HA THR 9 HA THR 9 6.683 5.301 2.530 60 HB THR 9 HB THR 9 4.060 4.162 3.500 61 HG1 THR 9 HG1 THR 9 5.641 6.131 4.398 62 HG21 THR 9 HG21 THR 9 5.694 2.373 3.227 63 HG22 THR 9 HG22 THR 9 5.442 2.713 4.938 64 HG23 THR 9 HG23 THR 9 6.889 3.307 4.125 65 H SER 10 HN SER 10 7.496 4.478 0.688 66 HA SER 10 HA SER 10 7.856 3.045 -1.037 67 HB2 SER 10 HB2 SER 10 5.765 1.358 0.366 68 HB3 SER 10 HB3 SER 10 6.842 0.798 -0.914 69 HG SER 10 HG SER 10 7.404 1.417 1.754 70 H GLU 11 HN GLU 11 5.560 5.047 -0.972 71 HA GLU 11 HA GLU 11 3.962 5.820 -2.388 72 HB2 GLU 11 HB2 GLU 11 5.195 3.783 -4.251 73 HB3 GLU 11 HB3 GLU 11 4.030 5.004 -4.741 74 HG2 GLU 11 HG2 GLU 11 6.181 5.791 -5.335 75 HG3 GLU 11 HG3 GLU 11 5.636 6.743 -3.953 76 H SEP 12 HN SER 12 3.680 3.128 -0.813 77 HA SEP 12 HA SER 12 2.083 1.545 -0.449 78 HB2 SEP 12 HB2 SER 12 0.325 3.637 -1.759 79 HB3 SEP 12 HB3 SER 12 -0.248 2.284 -0.783 80 H PHE 13 HN PHE 13 3.422 0.510 -2.314 81 HA PHE 13 HA PHE 13 1.477 -0.504 -4.245 82 HB2 PHE 13 HB2 PHE 13 3.078 1.403 -5.132 83 HB3 PHE 13 HB3 PHE 13 4.232 0.079 -5.246 84 HD1 PHE 13 HD1 PHE 13 0.635 0.650 -6.085 85 HD2 PHE 13 HD2 PHE 13 4.413 -0.875 -7.317 86 HE1 PHE 13 HE1 PHE 13 -0.339 -0.007 -8.247 87 HE2 PHE 13 HE2 PHE 13 3.446 -1.534 -9.480 88 HZ PHE 13 HZ PHE 13 1.066 -1.090 -9.951 89 H GLU 14 HN GLU 14 4.085 -1.704 -5.515 90 HA GLU 14 HA GLU 14 5.118 -3.710 -5.479 91 HB2 GLU 14 HB2 GLU 14 5.139 -3.314 -2.486 92 HB3 GLU 14 HB3 GLU 14 6.207 -4.337 -3.430 93 HG2 GLU 14 HG2 GLU 14 7.111 -2.342 -4.542 94 HG3 GLU 14 HG3 GLU 14 6.083 -1.338 -3.520 95 H SER 15 HN SER 15 2.179 -3.580 -5.228 96 HA SER 15 HA SER 15 1.152 -5.490 -3.477 97 HB2 SER 15 HB2 SER 15 -0.753 -5.643 -5.063 98 HB3 SER 15 HB3 SER 15 -0.296 -3.974 -4.719 99 HG SER 15 HG SER 15 -0.361 -5.257 -7.078 100 H ILE 16 HN ILE 16 0.708 -7.677 -3.658 101 HA ILE 16 HA ILE 16 2.048 -9.092 -5.869 102 HB ILE 16 HB ILE 16 1.968 -10.050 -3.007 103 HG12 ILE 16 HG12 ILE 16 4.321 -8.919 -4.536 104 HG13 ILE 16 HG13 ILE 16 3.398 -8.023 -3.335 105 HG21 ILE 16 HG21 ILE 16 3.563 -11.730 -3.780 106 HG22 ILE 16 HG22 ILE 16 2.050 -11.829 -4.679 107 HG23 ILE 16 HG23 ILE 16 3.466 -11.079 -5.415 108 HD11 ILE 16 HD11 ILE 16 5.435 -8.872 -2.368 109 HD12 ILE 16 HD12 ILE 16 4.044 -9.673 -1.638 110 HD13 ILE 16 HD13 ILE 16 5.012 -10.515 -2.850 111 H ALA 17 HN ALA 17 -0.524 -9.095 -3.460 112 HA ALA 17 HA ALA 17 -2.250 -10.548 -5.238 113 HB1 ALA 17 HB1 ALA 17 -1.011 -12.406 -4.265 114 HB2 ALA 17 HB2 ALA 17 -1.440 -11.858 -2.645 115 HB3 ALA 17 HB3 ALA 17 -2.696 -12.429 -3.745 116 H ASP 18 HN ASP 18 -2.479 -10.670 -1.723 117 HA ASP 18 HA ASP 18 -3.993 -8.319 -1.356 118 HB2 ASP 18 HB2 ASP 18 -5.595 -9.673 -2.765 119 HB3 ASP 18 HB3 ASP 18 -5.677 -10.829 -1.439 120 H ASN 19 HN ASN 19 -1.959 -10.181 -0.154 121 HA ASN 19 HA ASN 19 -2.880 -9.936 2.579 122 HB2 ASN 19 HB2 ASN 19 -2.387 -12.292 3.134 123 HB3 ASN 19 HB3 ASN 19 -3.723 -12.149 1.996 124 HD21 ASN 19 HD21 ASN 19 -0.404 -13.092 2.426 125 HD22 ASN 19 HD22 ASN 19 -0.255 -13.977 0.949 126 H ASN 20 HN ASN 20 -0.536 -9.756 0.276 127 HA ASN 20 HA ASN 20 1.687 -10.069 2.158 128 HB2 ASN 20 HB2 ASN 20 2.555 -9.588 -0.483 129 HB3 ASN 20 HB3 ASN 20 2.673 -11.097 0.419 130 HD21 ASN 20 HD21 ASN 20 0.373 -9.141 -1.409 131 HD22 ASN 20 HD22 ASN 20 -0.427 -10.460 -2.175 132 H ASP 21 HN ASP 21 0.336 -7.936 -0.330 133 HA ASP 21 HA ASP 21 1.499 -5.651 1.008 134 HB2 ASP 21 HB2 ASP 21 1.997 -6.482 -1.823 135 HB3 ASP 21 HB3 ASP 21 2.007 -4.779 -1.391 136 H ASP 22 HN ASP 22 -0.667 -6.868 -1.507 137 HA ASP 22 HA ASP 22 -2.170 -4.426 -1.669 138 HB2 ASP 22 HB2 ASP 22 -1.938 -5.843 -3.621 139 HB3 ASP 22 HB3 ASP 22 -2.626 -7.209 -2.754 140 H SER 23 HN SER 23 -1.943 -5.486 0.966 141 HA SER 23 HA SER 23 -4.763 -6.072 1.549 142 HB2 SER 23 HB2 SER 23 -3.753 -8.103 2.081 143 HB3 SER 23 HB3 SER 23 -2.272 -7.335 2.651 144 HG SER 23 HG SER 23 -3.215 -7.765 4.515 145 H TYR 24 HN TYR 24 -1.768 -4.520 2.574 146 HA TYR 24 HA TYR 24 -3.375 -2.848 4.394 147 HB2 TYR 24 HB2 TYR 24 -1.298 -2.558 5.759 148 HB3 TYR 24 HB3 TYR 24 -1.943 -4.195 5.761 149 HD1 TYR 24 HD2 TYR 24 -0.771 -5.988 4.554 150 HD2 TYR 24 HD1 TYR 24 0.844 -2.061 4.801 151 HE1 TYR 24 HE2 TYR 24 1.425 -6.856 3.870 152 HE2 TYR 24 HE1 TYR 24 3.046 -2.917 4.117 153 HH TYR 24 HH TYR 24 4.284 -5.009 4.103 154 H PHE 25 HN PHE 25 -1.916 -2.799 1.515 155 HA PHE 25 HA PHE 25 -0.904 -0.050 1.809 156 HB2 PHE 25 HB2 PHE 25 -0.280 -2.251 -0.128 157 HB3 PHE 25 HB3 PHE 25 -0.061 -0.581 -0.626 158 HD1 PHE 25 HD1 PHE 25 1.003 0.720 1.715 159 HD2 PHE 25 HD2 PHE 25 1.803 -3.176 0.202 160 HE1 PHE 25 HE1 PHE 25 3.205 0.749 2.813 161 HE2 PHE 25 HE2 PHE 25 4.006 -3.152 1.293 162 HZ PHE 25 HZ PHE 25 4.731 -1.176 2.562 163 H GLN 26 HN GLN 26 -2.945 -2.110 -0.229 164 HA GLN 26 HA GLN 26 -4.334 0.318 -1.157 165 HB2 GLN 26 HB2 GLN 26 -4.065 -2.314 -2.621 166 HB3 GLN 26 HB3 GLN 26 -4.884 -0.876 -3.214 167 HG2 GLN 26 HG2 GLN 26 -2.782 0.331 -3.265 168 HG3 GLN 26 HG3 GLN 26 -1.944 -1.071 -2.602 169 HE21 GLN 26 HE21 GLN 26 -3.503 0.285 -5.396 170 HE22 GLN 26 HE22 GLN 26 -2.914 -0.869 -6.538 171 H ARG 27 HN ARG 27 -4.665 -3.050 -0.165 172 HA ARG 27 HA ARG 27 -6.413 -4.273 0.603 173 HB2 ARG 27 HB2 ARG 27 -6.223 -2.163 2.191 174 HB3 ARG 27 HB3 ARG 27 -7.806 -1.800 1.515 175 HG2 ARG 27 HG2 ARG 27 -8.598 -4.010 2.237 176 HG3 ARG 27 HG3 ARG 27 -7.019 -4.317 2.962 177 HD2 ARG 27 HD2 ARG 27 -8.969 -2.148 3.724 178 HD3 ARG 27 HD3 ARG 27 -8.566 -3.581 4.667 179 HE ARG 27 HE ARG 27 -6.191 -2.507 4.547 180 HH11 ARG 27 HH12 ARG 27 -9.240 -0.863 4.948 181 HH12 ARG 27 HH11 ARG 27 -8.557 0.450 5.849 182 HH21 ARG 27 HH22 ARG 27 -5.287 -0.778 5.730 183 HH22 ARG 27 HH21 ARG 27 -6.313 0.498 6.294 184 H LYS 28 HN LYS 28 -7.190 -4.903 -1.442 185 HA LYS 28 HA LYS 28 -9.731 -3.617 -2.178 186 HB2 LYS 28 HB2 LYS 28 -7.373 -4.160 -3.856 187 HB3 LYS 28 HB3 LYS 28 -8.902 -4.676 -4.552 188 HG2 LYS 28 HG2 LYS 28 -8.526 -2.497 -5.343 189 HG3 LYS 28 HG3 LYS 28 -9.754 -2.346 -4.084 190 HD2 LYS 28 HD2 LYS 28 -8.103 -1.590 -2.502 191 HD3 LYS 28 HD3 LYS 28 -6.805 -1.885 -3.659 192 HE2 LYS 28 HE2 LYS 28 -9.027 0.138 -3.923 193 HE3 LYS 28 HE3 LYS 28 -7.333 0.483 -3.571 194 HZ1 LYS 28 HZ1 LYS 28 -7.829 0.863 -5.896 195 HZ2 LYS 28 HZ2 LYS 28 -8.374 -0.727 -6.077 196 HZ3 LYS 28 HZ3 LYS 28 -6.744 -0.426 -5.739 197 HA PRO 29 HA PRO 29 -10.383 -8.145 -1.341 198 HB2 PRO 29 HB2 PRO 29 -12.865 -7.191 -0.103 199 HB3 PRO 29 HB3 PRO 29 -11.589 -8.199 0.583 200 HG2 PRO 29 HG2 PRO 29 -11.981 -5.656 1.378 201 HG3 PRO 29 HG3 PRO 29 -10.368 -6.389 1.318 202 HD2 PRO 29 HD2 PRO 29 -11.673 -4.515 -0.626 203 HD3 PRO 29 HD3 PRO 29 -10.001 -4.528 -0.021 204 H LYS 30 HN LYS 30 -13.047 -5.850 -1.960 205 HA LYS 30 HA LYS 30 -14.593 -7.668 -3.465 206 HB2 LYS 30 HB2 LYS 30 -14.641 -4.645 -3.457 207 HB3 LYS 30 HB3 LYS 30 -15.885 -5.674 -4.151 208 HG2 LYS 30 HG2 LYS 30 -15.098 -5.674 -1.245 209 HG3 LYS 30 HG3 LYS 30 -16.463 -4.783 -1.920 210 HD2 LYS 30 HD2 LYS 30 -17.472 -6.871 -2.671 211 HD3 LYS 30 HD3 LYS 30 -16.093 -7.775 -2.045 212 HE2 LYS 30 HE2 LYS 30 -16.622 -7.030 0.217 213 HE3 LYS 30 HE3 LYS 30 -17.983 -6.094 -0.402 214 HZ1 LYS 30 HZ1 LYS 30 -19.009 -8.147 -1.154 215 HZ2 LYS 30 HZ2 LYS 30 -18.703 -8.213 0.508 216 HZ3 LYS 30 HZ3 LYS 30 -17.700 -9.047 -0.569 217 H LEU 31 HN LEU 31 -14.776 -8.031 -5.631 218 HA LEU 31 HA LEU 31 -12.887 -6.622 -7.397 219 HB2 LEU 31 HB2 LEU 31 -13.560 -9.566 -7.455 220 HB3 LEU 31 HB3 LEU 31 -12.546 -8.735 -8.617 221 HG LEU 31 HG LEU 31 -11.911 -9.034 -5.680 222 HD11 LEU 31 HD11 LEU 31 -11.831 -11.174 -6.833 223 HD12 LEU 31 HD12 LEU 31 -10.800 -10.477 -8.082 224 HD13 LEU 31 HD13 LEU 31 -10.207 -10.622 -6.427 225 HD21 LEU 31 HD21 LEU 31 -10.267 -7.974 -7.978 226 HD22 LEU 31 HD22 LEU 31 -10.945 -7.022 -6.657 227 HD23 LEU 31 HD23 LEU 31 -9.695 -8.220 -6.327 228 H THR 32 HN THR 32 -15.579 -8.954 -7.603 229 HA THR 32 HA THR 32 -17.113 -7.109 -9.228 230 HB THR 32 HB THR 32 -16.555 -9.823 -10.409 231 HG1 THR 32 HG1 THR 32 -14.996 -8.773 -11.731 232 HG21 THR 32 HG21 THR 32 -18.518 -8.680 -11.252 233 HG22 THR 32 HG22 THR 32 -17.261 -8.674 -12.489 234 HG23 THR 32 HG23 THR 32 -17.577 -7.217 -11.545 235 H GLU 33 HN GLU 33 -17.078 -8.951 -6.712 236 HA GLU 33 HA GLU 33 -19.185 -10.814 -7.049 237 HB2 GLU 33 HB2 GLU 33 -18.224 -9.495 -4.504 238 HB3 GLU 33 HB3 GLU 33 -19.195 -10.955 -4.611 239 HG2 GLU 33 HG2 GLU 33 -16.394 -10.650 -5.666 240 HG3 GLU 33 HG3 GLU 33 -16.835 -11.417 -4.142 241 H ALA 34 HN ALA 34 -19.175 -7.732 -5.236 242 HA ALA 34 HA ALA 34 -21.915 -7.597 -4.801 243 HB1 ALA 34 HB1 ALA 34 -21.589 -5.221 -4.349 244 HB2 ALA 34 HB2 ALA 34 -20.315 -6.195 -3.616 245 HB3 ALA 34 HB3 ALA 34 -19.993 -5.293 -5.096 246 HA PRO 35 HA PRO 35 -22.399 -4.930 -8.793 247 HB2 PRO 35 HB2 PRO 35 -20.427 -5.023 -10.650 248 HB3 PRO 35 HB3 PRO 35 -20.461 -3.827 -9.349 249 HG2 PRO 35 HG2 PRO 35 -18.907 -6.378 -9.537 250 HG3 PRO 35 HG3 PRO 35 -18.379 -4.786 -8.963 251 HD2 PRO 35 HD2 PRO 35 -19.076 -6.792 -7.280 252 HD3 PRO 35 HD3 PRO 35 -19.327 -5.080 -6.886 Start of MODEL 7 1 H1 GLU 1 H1 GLU 1 4.866 8.272 -16.777 2 H2 GLU 1 H2 GLU 1 5.517 9.347 -15.646 3 H3 GLU 1 H3 GLU 1 3.951 9.587 -16.236 4 HA GLU 1 HA GLU 1 3.225 7.522 -15.215 5 HB2 GLU 1 HB2 GLU 1 6.006 7.520 -14.023 6 HB3 GLU 1 HB3 GLU 1 4.715 6.395 -13.623 7 HG2 GLU 1 HG2 GLU 1 6.060 6.678 -16.302 8 HG3 GLU 1 HG3 GLU 1 6.325 5.388 -15.130 9 H HIS 2 HN HIS 2 2.201 7.661 -13.220 10 HA HIS 2 HA HIS 2 2.199 10.277 -12.040 11 HB2 HIS 2 HB2 HIS 2 0.717 7.770 -11.220 12 HB3 HIS 2 HB3 HIS 2 0.404 9.391 -10.609 13 HD1 HIS 2 HD1 HIS 2 -1.032 10.923 -12.025 14 HD2 HIS 2 HD2 HIS 2 -0.086 7.353 -13.928 15 HE1 HIS 2 HE1 HIS 2 -2.483 10.849 -14.078 16 HE2 HIS 2 HE2 HIS 2 -1.967 8.632 -15.155 17 H LYS 3 HN LYS 3 2.091 10.375 -9.543 18 HA LYS 3 HA LYS 3 4.237 8.723 -8.393 19 HB2 LYS 3 HB2 LYS 3 3.855 11.702 -8.051 20 HB3 LYS 3 HB3 LYS 3 5.014 10.730 -7.154 21 HG2 LYS 3 HG2 LYS 3 6.183 10.184 -9.211 22 HG3 LYS 3 HG3 LYS 3 4.996 11.099 -10.144 23 HD2 LYS 3 HD2 LYS 3 6.948 12.466 -9.848 24 HD3 LYS 3 HD3 LYS 3 5.648 13.131 -8.857 25 HE2 LYS 3 HE2 LYS 3 7.744 13.124 -7.626 26 HE3 LYS 3 HE3 LYS 3 6.590 12.015 -6.888 27 HZ1 LYS 3 HZ1 LYS 3 8.809 11.235 -8.703 28 HZ2 LYS 3 HZ2 LYS 3 7.707 10.176 -7.979 29 HZ3 LYS 3 HZ3 LYS 3 8.797 11.044 -7.022 30 H HIS 4 HN HIS 4 1.850 11.183 -7.402 31 HA HIS 4 HA HIS 4 0.422 11.301 -5.637 32 HB2 HIS 4 HB2 HIS 4 0.394 8.312 -6.090 33 HB3 HIS 4 HB3 HIS 4 -0.702 9.144 -4.991 34 HD1 HIS 4 HD1 HIS 4 -0.093 8.463 -8.588 35 HD2 HIS 4 HD2 HIS 4 -2.670 10.743 -6.259 36 HE1 HIS 4 HE1 HIS 4 -1.937 9.183 -10.136 37 HE2 HIS 4 HE2 HIS 4 -3.514 10.519 -8.694 38 H SER 5 HN SER 5 1.814 12.099 -4.088 39 HA SER 5 HA SER 5 3.386 10.265 -2.477 40 HB2 SER 5 HB2 SER 5 4.372 12.416 -3.088 41 HB3 SER 5 HB3 SER 5 3.041 13.268 -2.303 42 HG SER 5 HG SER 5 3.821 12.745 -0.365 43 H ASP 6 HN ASP 6 2.521 9.230 -0.816 44 HA ASP 6 HA ASP 6 0.092 10.246 0.429 45 HB2 ASP 6 HB2 ASP 6 0.126 7.888 -0.183 46 HB3 ASP 6 HB3 ASP 6 1.574 7.633 0.788 47 H GLU 7 HN GLU 7 3.065 8.754 1.714 48 HA GLU 7 HA GLU 7 3.709 10.916 3.420 49 HB2 GLU 7 HB2 GLU 7 1.652 10.067 4.570 50 HB3 GLU 7 HB3 GLU 7 2.474 8.532 4.813 51 HG2 GLU 7 HG2 GLU 7 2.590 9.841 6.822 52 HG3 GLU 7 HG3 GLU 7 4.202 9.693 6.124 53 H SER 8 HN SER 8 3.745 7.371 3.789 54 HA SER 8 HA SER 8 6.633 7.463 4.178 55 HB2 SER 8 HB2 SER 8 6.374 5.057 4.784 56 HB3 SER 8 HB3 SER 8 5.377 6.123 5.772 57 HG SER 8 HG SER 8 3.648 5.219 4.986 58 H THR 9 HN THR 9 4.379 6.936 1.729 59 HA THR 9 HA THR 9 4.566 6.379 -0.463 60 HB THR 9 HB THR 9 7.547 6.192 -0.015 61 HG1 THR 9 HG1 THR 9 5.818 8.383 -0.214 62 HG21 THR 9 HG21 THR 9 7.670 6.804 -2.392 63 HG22 THR 9 HG22 THR 9 5.909 6.782 -2.484 64 HG23 THR 9 HG23 THR 9 6.795 5.293 -2.159 65 H SER 10 HN SER 10 5.366 4.363 2.034 66 HA SER 10 HA SER 10 5.271 2.021 0.266 67 HB2 SER 10 HB2 SER 10 6.867 0.846 1.753 68 HB3 SER 10 HB3 SER 10 7.596 2.255 0.980 69 HG SER 10 HG SER 10 6.475 2.994 3.293 70 H GLU 11 HN GLU 11 3.936 3.730 2.756 71 HA GLU 11 HA GLU 11 2.352 3.324 4.325 72 HB2 GLU 11 HB2 GLU 11 1.108 2.497 2.401 73 HB3 GLU 11 HB3 GLU 11 1.828 0.908 2.596 74 HG2 GLU 11 HG2 GLU 11 -0.365 0.811 3.479 75 HG3 GLU 11 HG3 GLU 11 0.749 0.786 4.846 76 H SEP 12 HN SER 12 2.720 -0.102 3.840 77 HA SEP 12 HA SER 12 4.531 -0.453 6.038 78 HB2 SEP 12 HB2 SER 12 2.325 0.002 7.154 79 HB3 SEP 12 HB3 SER 12 1.703 -1.461 6.391 80 H PHE 13 HN PHE 13 3.858 -1.295 3.136 81 HA PHE 13 HA PHE 13 4.985 -3.901 3.339 82 HB2 PHE 13 HB2 PHE 13 2.462 -4.207 3.835 83 HB3 PHE 13 HB3 PHE 13 2.240 -3.886 2.120 84 HD1 PHE 13 HD2 PHE 13 3.651 -6.214 4.578 85 HD2 PHE 13 HD1 PHE 13 2.837 -5.494 0.464 86 HE1 PHE 13 HE2 PHE 13 4.112 -8.579 4.076 87 HE2 PHE 13 HE1 PHE 13 3.295 -7.857 -0.045 88 HZ PHE 13 HZ PHE 13 3.934 -9.402 1.762 89 H GLU 14 HN GLU 14 6.052 -4.376 1.520 90 HA GLU 14 HA GLU 14 5.236 -3.319 -1.027 91 HB2 GLU 14 HB2 GLU 14 7.416 -2.241 -1.439 92 HB3 GLU 14 HB3 GLU 14 6.515 -1.453 -0.160 93 HG2 GLU 14 HG2 GLU 14 7.882 -2.577 1.508 94 HG3 GLU 14 HG3 GLU 14 8.770 -3.408 0.232 95 H SER 15 HN SER 15 5.704 -5.894 0.388 96 HA SER 15 HA SER 15 8.009 -7.050 -0.936 97 HB2 SER 15 HB2 SER 15 7.192 -7.658 1.406 98 HB3 SER 15 HB3 SER 15 5.896 -8.547 0.607 99 HG SER 15 HG SER 15 7.264 -10.062 0.106 100 H ILE 16 HN ILE 16 6.335 -9.626 -1.089 101 HA ILE 16 HA ILE 16 6.088 -9.926 -3.774 102 HB ILE 16 HB ILE 16 4.115 -11.130 -1.834 103 HG12 ILE 16 HG12 ILE 16 6.138 -12.982 -2.206 104 HG13 ILE 16 HG13 ILE 16 7.015 -11.464 -2.051 105 HG21 ILE 16 HG21 ILE 16 3.620 -11.511 -4.189 106 HG22 ILE 16 HG22 ILE 16 5.250 -12.132 -4.446 107 HG23 ILE 16 HG23 ILE 16 4.127 -13.010 -3.408 108 HD11 ILE 16 HD11 ILE 16 5.870 -11.041 0.076 109 HD12 ILE 16 HD12 ILE 16 5.044 -12.590 -0.078 110 HD13 ILE 16 HD13 ILE 16 6.797 -12.541 0.096 111 H ALA 17 HN ALA 17 3.355 -9.162 -1.631 112 HA ALA 17 HA ALA 17 1.375 -8.098 -1.984 113 HB1 ALA 17 HB1 ALA 17 1.397 -6.191 -3.579 114 HB2 ALA 17 HB2 ALA 17 2.723 -6.165 -2.416 115 HB3 ALA 17 HB3 ALA 17 3.016 -6.682 -4.076 116 H ASP 18 HN ASP 18 0.111 -9.812 -2.647 117 HA ASP 18 HA ASP 18 -0.966 -9.673 -5.263 118 HB2 ASP 18 HB2 ASP 18 -0.292 -11.793 -6.166 119 HB3 ASP 18 HB3 ASP 18 1.172 -10.928 -5.706 120 H ASN 19 HN ASN 19 -1.158 -10.296 -2.142 121 HA ASN 19 HA ASN 19 -3.800 -11.197 -2.147 122 HB2 ASN 19 HB2 ASN 19 -3.628 -13.426 -1.365 123 HB3 ASN 19 HB3 ASN 19 -2.606 -13.335 -2.788 124 HD21 ASN 19 HD21 ASN 19 -0.441 -11.966 -1.457 125 HD22 ASN 19 HD22 ASN 19 0.318 -13.119 -0.427 126 H ASN 20 HN ASN 20 -1.627 -9.438 -0.930 127 HA ASN 20 HA ASN 20 -2.598 -9.624 1.822 128 HB2 ASN 20 HB2 ASN 20 -0.521 -10.687 2.104 129 HB3 ASN 20 HB3 ASN 20 0.278 -9.639 0.935 130 HD21 ASN 20 HD21 ASN 20 0.662 -7.454 1.516 131 HD22 ASN 20 HD22 ASN 20 0.846 -7.008 3.174 132 H ASP 21 HN ASP 21 -0.637 -7.753 -0.466 133 HA ASP 21 HA ASP 21 -0.896 -5.262 0.789 134 HB2 ASP 21 HB2 ASP 21 -0.005 -4.324 -1.195 135 HB3 ASP 21 HB3 ASP 21 0.709 -5.930 -1.100 136 H ASP 22 HN ASP 22 -2.922 -7.081 -1.373 137 HA ASP 22 HA ASP 22 -4.737 -4.937 -1.940 138 HB2 ASP 22 HB2 ASP 22 -4.528 -6.685 -3.561 139 HB3 ASP 22 HB3 ASP 22 -4.811 -7.928 -2.350 140 H SER 23 HN SER 23 -4.024 -5.963 0.879 141 HA SER 23 HA SER 23 -6.787 -6.288 1.837 142 HB2 SER 23 HB2 SER 23 -5.267 -8.281 2.189 143 HB3 SER 23 HB3 SER 23 -4.309 -7.266 3.266 144 HG SER 23 HG SER 23 -5.794 -7.438 4.751 145 H TYR 24 HN TYR 24 -3.579 -4.880 2.543 146 HA TYR 24 HA TYR 24 -5.009 -2.736 3.954 147 HB2 TYR 24 HB2 TYR 24 -3.261 -2.713 5.727 148 HB3 TYR 24 HB3 TYR 24 -4.319 -4.114 5.767 149 HD1 TYR 24 HD2 TYR 24 -0.929 -2.929 4.924 150 HD2 TYR 24 HD1 TYR 24 -3.443 -6.314 5.482 151 HE1 TYR 24 HE2 TYR 24 1.049 -4.390 4.930 152 HE2 TYR 24 HE1 TYR 24 -1.474 -7.784 5.494 153 HH TYR 24 HH TYR 24 1.706 -6.593 5.746 154 H PHE 25 HN PHE 25 -3.239 -3.272 1.430 155 HA PHE 25 HA PHE 25 -1.640 -0.820 1.773 156 HB2 PHE 25 HB2 PHE 25 -0.197 -2.808 1.587 157 HB3 PHE 25 HB3 PHE 25 -0.951 -3.207 0.050 158 HD1 PHE 25 HD1 PHE 25 0.994 -0.557 1.761 159 HD2 PHE 25 HD2 PHE 25 -0.092 -2.363 -1.935 160 HE1 PHE 25 HE1 PHE 25 2.652 0.842 0.594 161 HE2 PHE 25 HE2 PHE 25 1.562 -0.971 -3.109 162 HZ PHE 25 HZ PHE 25 2.937 0.636 -1.844 163 H GLN 26 HN GLN 26 -3.923 -2.564 -0.134 164 HA GLN 26 HA GLN 26 -4.122 -0.271 -1.956 165 HB2 GLN 26 HB2 GLN 26 -2.990 -2.210 -3.059 166 HB3 GLN 26 HB3 GLN 26 -4.446 -3.158 -2.791 167 HG2 GLN 26 HG2 GLN 26 -4.435 -2.367 -5.045 168 HG3 GLN 26 HG3 GLN 26 -5.709 -1.534 -4.158 169 HE21 GLN 26 HE21 GLN 26 -5.466 0.656 -3.672 170 HE22 GLN 26 HE22 GLN 26 -4.312 1.651 -4.484 171 H ARG 27 HN ARG 27 -5.642 -2.510 0.118 172 HA ARG 27 HA ARG 27 -8.277 -2.329 -0.961 173 HB2 ARG 27 HB2 ARG 27 -7.338 -4.207 0.465 174 HB3 ARG 27 HB3 ARG 27 -7.500 -3.125 1.841 175 HG2 ARG 27 HG2 ARG 27 -9.892 -2.975 1.458 176 HG3 ARG 27 HG3 ARG 27 -9.739 -4.031 0.055 177 HD2 ARG 27 HD2 ARG 27 -8.895 -5.820 1.505 178 HD3 ARG 27 HD3 ARG 27 -9.072 -4.763 2.904 179 HE ARG 27 HE ARG 27 -11.530 -4.973 1.533 180 HH11 ARG 27 HH12 ARG 27 -9.398 -6.816 3.584 181 HH12 ARG 27 HH11 ARG 27 -10.670 -7.785 4.250 182 HH21 ARG 27 HH22 ARG 27 -13.206 -6.245 2.405 183 HH22 ARG 27 HH21 ARG 27 -12.833 -7.461 3.581 184 H LYS 28 HN LYS 28 -7.817 0.188 -0.997 185 HA LYS 28 HA LYS 28 -9.105 1.301 1.406 186 HB2 LYS 28 HB2 LYS 28 -6.892 2.516 -0.250 187 HB3 LYS 28 HB3 LYS 28 -7.862 3.442 0.889 188 HG2 LYS 28 HG2 LYS 28 -6.005 2.932 2.140 189 HG3 LYS 28 HG3 LYS 28 -7.114 1.635 2.595 190 HD2 LYS 28 HD2 LYS 28 -6.040 0.166 0.934 191 HD3 LYS 28 HD3 LYS 28 -4.903 1.461 0.548 192 HE2 LYS 28 HE2 LYS 28 -3.846 -0.063 2.073 193 HE3 LYS 28 HE3 LYS 28 -4.171 1.450 2.919 194 HZ1 LYS 28 HZ1 LYS 28 -6.140 0.432 3.895 195 HZ2 LYS 28 HZ2 LYS 28 -4.748 -0.447 4.283 196 HZ3 LYS 28 HZ3 LYS 28 -5.806 -1.023 3.097 197 HA PRO 29 HA PRO 29 -11.742 2.182 -2.305 198 HB2 PRO 29 HB2 PRO 29 -13.928 1.705 -0.405 199 HB3 PRO 29 HB3 PRO 29 -13.613 0.941 -1.964 200 HG2 PRO 29 HG2 PRO 29 -13.302 -0.386 0.356 201 HG3 PRO 29 HG3 PRO 29 -12.257 -0.683 -1.045 202 HD2 PRO 29 HD2 PRO 29 -11.714 0.952 1.409 203 HD3 PRO 29 HD3 PRO 29 -10.648 -0.186 0.555 204 H LYS 30 HN LYS 30 -11.193 3.561 0.719 205 HA LYS 30 HA LYS 30 -13.215 5.552 0.767 206 HB2 LYS 30 HB2 LYS 30 -10.476 5.556 2.048 207 HB3 LYS 30 HB3 LYS 30 -11.780 6.670 2.433 208 HG2 LYS 30 HG2 LYS 30 -11.852 3.685 2.832 209 HG3 LYS 30 HG3 LYS 30 -11.572 4.887 4.091 210 HD2 LYS 30 HD2 LYS 30 -14.067 4.704 2.401 211 HD3 LYS 30 HD3 LYS 30 -13.905 4.056 4.033 212 HE2 LYS 30 HE2 LYS 30 -13.460 6.301 4.887 213 HE3 LYS 30 HE3 LYS 30 -13.597 6.955 3.255 214 HZ1 LYS 30 HZ1 LYS 30 -15.895 6.273 3.188 215 HZ2 LYS 30 HZ2 LYS 30 -15.635 7.244 4.549 216 HZ3 LYS 30 HZ3 LYS 30 -15.775 5.567 4.720 217 H LEU 31 HN LEU 31 -13.047 7.786 0.294 218 HA LEU 31 HA LEU 31 -11.118 8.372 -1.845 219 HB2 LEU 31 HB2 LEU 31 -13.834 9.524 -1.231 220 HB3 LEU 31 HB3 LEU 31 -12.739 10.246 -2.393 221 HG LEU 31 HG LEU 31 -12.763 7.998 -3.597 222 HD11 LEU 31 HD11 LEU 31 -13.656 6.617 -1.836 223 HD12 LEU 31 HD12 LEU 31 -15.121 7.597 -1.766 224 HD13 LEU 31 HD13 LEU 31 -14.778 6.627 -3.198 225 HD21 LEU 31 HD21 LEU 31 -13.922 9.974 -4.428 226 HD22 LEU 31 HD22 LEU 31 -14.860 8.513 -4.739 227 HD23 LEU 31 HD23 LEU 31 -15.317 9.590 -3.419 228 H THR 32 HN THR 32 -9.655 9.937 -1.618 229 HA THR 32 HA THR 32 -8.303 11.445 -0.577 230 HB THR 32 HB THR 32 -9.351 13.530 0.143 231 HG1 THR 32 HG1 THR 32 -11.174 12.870 1.224 232 HG21 THR 32 HG21 THR 32 -9.100 13.134 -2.255 233 HG22 THR 32 HG22 THR 32 -10.554 14.075 -1.923 234 HG23 THR 32 HG23 THR 32 -10.682 12.357 -2.302 235 H GLU 33 HN GLU 33 -8.668 13.040 1.703 236 HA GLU 33 HA GLU 33 -8.275 11.025 3.758 237 HB2 GLU 33 HB2 GLU 33 -7.931 14.026 3.893 238 HB3 GLU 33 HB3 GLU 33 -7.426 12.873 5.122 239 HG2 GLU 33 HG2 GLU 33 -6.350 13.059 2.317 240 HG3 GLU 33 HG3 GLU 33 -5.542 13.609 3.785 241 H ALA 34 HN ALA 34 -10.057 10.296 4.717 242 HA ALA 34 HA ALA 34 -12.236 12.170 5.294 243 HB1 ALA 34 HB1 ALA 34 -13.637 10.203 5.634 244 HB2 ALA 34 HB2 ALA 34 -12.850 10.160 4.055 245 HB3 ALA 34 HB3 ALA 34 -12.244 9.155 5.371 246 HA PRO 35 HA PRO 35 -11.416 10.195 9.602 247 HB2 PRO 35 HB2 PRO 35 -9.201 8.712 9.992 248 HB3 PRO 35 HB3 PRO 35 -10.703 8.011 9.375 249 HG2 PRO 35 HG2 PRO 35 -8.250 8.850 7.879 250 HG3 PRO 35 HG3 PRO 35 -9.235 7.388 7.683 251 HD2 PRO 35 HD2 PRO 35 -9.454 9.566 6.061 252 HD3 PRO 35 HD3 PRO 35 -10.807 8.470 6.403 Start of MODEL 8 1 H1 GLU 1 H1 GLU 1 -0.819 -11.542 10.976 2 H2 GLU 1 H2 GLU 1 -1.475 -12.982 10.377 3 H3 GLU 1 H3 GLU 1 -0.587 -12.990 11.816 4 HA GLU 1 HA GLU 1 -3.172 -11.611 11.396 5 HB2 GLU 1 HB2 GLU 1 -4.096 -13.320 12.902 6 HB3 GLU 1 HB3 GLU 1 -3.437 -14.037 11.438 7 HG2 GLU 1 HG2 GLU 1 -1.407 -14.650 12.672 8 HG3 GLU 1 HG3 GLU 1 -2.109 -13.970 14.139 9 H HIS 2 HN HIS 2 -0.254 -11.789 13.111 10 HA HIS 2 HA HIS 2 -1.389 -10.529 15.501 11 HB2 HIS 2 HB2 HIS 2 1.393 -11.582 14.952 12 HB3 HIS 2 HB3 HIS 2 0.885 -10.837 16.463 13 HD1 HIS 2 HD1 HIS 2 1.056 -14.042 14.757 14 HD2 HIS 2 HD2 HIS 2 -1.203 -12.381 17.823 15 HE1 HIS 2 HE1 HIS 2 0.023 -15.993 15.962 16 HE2 HIS 2 HE2 HIS 2 -1.318 -14.965 17.833 17 H LYS 3 HN LYS 3 0.174 -8.787 16.454 18 HA LYS 3 HA LYS 3 0.936 -6.940 14.289 19 HB2 LYS 3 HB2 LYS 3 -0.406 -6.266 16.913 20 HB3 LYS 3 HB3 LYS 3 0.193 -5.083 15.761 21 HG2 LYS 3 HG2 LYS 3 -1.936 -7.123 15.155 22 HG3 LYS 3 HG3 LYS 3 -2.250 -5.454 15.635 23 HD2 LYS 3 HD2 LYS 3 -0.670 -6.286 13.199 24 HD3 LYS 3 HD3 LYS 3 -2.368 -5.804 13.185 25 HE2 LYS 3 HE2 LYS 3 -0.029 -4.094 14.026 26 HE3 LYS 3 HE3 LYS 3 -0.943 -3.946 12.526 27 HZ1 LYS 3 HZ1 LYS 3 -1.662 -2.319 14.151 28 HZ2 LYS 3 HZ2 LYS 3 -2.027 -3.541 15.262 29 HZ3 LYS 3 HZ3 LYS 3 -2.913 -3.412 13.826 30 H HIS 4 HN HIS 4 2.064 -8.754 16.784 31 HA HIS 4 HA HIS 4 4.021 -6.830 17.755 32 HB2 HIS 4 HB2 HIS 4 2.951 -8.383 19.352 33 HB3 HIS 4 HB3 HIS 4 3.637 -9.745 18.473 34 HD1 HIS 4 HD1 HIS 4 6.045 -10.362 18.967 35 HD2 HIS 4 HD2 HIS 4 4.853 -6.834 20.811 36 HE1 HIS 4 HE1 HIS 4 7.893 -9.785 20.572 37 HE2 HIS 4 HE2 HIS 4 7.112 -7.690 21.733 38 H SER 5 HN SER 5 3.831 -9.687 15.726 39 HA SER 5 HA SER 5 6.718 -9.522 15.210 40 HB2 SER 5 HB2 SER 5 4.742 -11.716 14.537 41 HB3 SER 5 HB3 SER 5 6.471 -11.761 14.189 42 HG SER 5 HG SER 5 6.908 -11.974 16.298 43 H ASP 6 HN ASP 6 4.134 -8.075 14.063 44 HA ASP 6 HA ASP 6 5.119 -8.118 11.293 45 HB2 ASP 6 HB2 ASP 6 3.030 -9.405 11.389 46 HB3 ASP 6 HB3 ASP 6 2.214 -8.036 12.136 47 H GLU 7 HN GLU 7 6.135 -6.204 11.199 48 HA GLU 7 HA GLU 7 4.679 -3.812 11.024 49 HB2 GLU 7 HB2 GLU 7 5.664 -2.610 12.991 50 HB3 GLU 7 HB3 GLU 7 4.472 -3.830 13.416 51 HG2 GLU 7 HG2 GLU 7 6.354 -5.394 13.898 52 HG3 GLU 7 HG3 GLU 7 7.463 -4.048 13.644 53 H SER 8 HN SER 8 5.801 -2.875 9.439 54 HA SER 8 HA SER 8 7.535 -2.133 8.168 55 HB2 SER 8 HB2 SER 8 8.259 -1.002 10.271 56 HB3 SER 8 HB3 SER 8 9.178 -2.443 10.701 57 HG SER 8 HG SER 8 10.514 -0.915 9.696 58 H THR 9 HN THR 9 6.952 -5.036 9.023 59 HA THR 9 HA THR 9 9.146 -6.665 8.939 60 HB THR 9 HB THR 9 6.972 -7.618 9.296 61 HG1 THR 9 HG1 THR 9 7.236 -8.971 7.002 62 HG21 THR 9 HG21 THR 9 5.648 -6.121 7.897 63 HG22 THR 9 HG22 THR 9 5.310 -7.804 7.492 64 HG23 THR 9 HG23 THR 9 6.350 -6.836 6.445 65 H SER 10 HN SER 10 7.617 -4.880 6.391 66 HA SER 10 HA SER 10 9.868 -5.158 4.645 67 HB2 SER 10 HB2 SER 10 8.455 -7.273 4.259 68 HB3 SER 10 HB3 SER 10 7.244 -6.191 3.564 69 HG SER 10 HG SER 10 9.942 -6.321 2.696 70 H GLU 11 HN GLU 11 7.338 -3.533 5.920 71 HA GLU 11 HA GLU 11 6.423 -1.490 5.545 72 HB2 GLU 11 HB2 GLU 11 8.309 -1.281 3.190 73 HB3 GLU 11 HB3 GLU 11 7.458 0.041 3.974 74 HG2 GLU 11 HG2 GLU 11 8.731 -0.351 6.021 75 HG3 GLU 11 HG3 GLU 11 9.592 -1.670 5.228 76 H SEP 12 HN SER 12 4.618 -0.780 4.493 77 HA SEP 12 HA SER 12 3.343 -2.573 2.719 78 HB2 SEP 12 HB2 SER 12 2.655 0.265 3.505 79 HB3 SEP 12 HB3 SER 12 1.596 -0.790 2.567 80 H PHE 13 HN PHE 13 4.895 -2.762 1.010 81 HA PHE 13 HA PHE 13 4.297 -1.190 -1.240 82 HB2 PHE 13 HB2 PHE 13 5.687 0.471 -0.030 83 HB3 PHE 13 HB3 PHE 13 7.029 -0.667 -0.083 84 HD1 PHE 13 HD1 PHE 13 4.845 1.492 -2.115 85 HD2 PHE 13 HD2 PHE 13 8.333 -0.944 -2.045 86 HE1 PHE 13 HE1 PHE 13 5.508 2.387 -4.309 87 HE2 PHE 13 HE2 PHE 13 9.004 -0.054 -4.238 88 HZ PHE 13 HZ PHE 13 7.593 1.627 -5.367 89 H GLU 14 HN GLU 14 7.462 -2.285 -0.437 90 HA GLU 14 HA GLU 14 7.622 -3.997 -2.708 91 HB2 GLU 14 HB2 GLU 14 9.521 -2.676 -1.641 92 HB3 GLU 14 HB3 GLU 14 9.556 -3.921 -0.400 93 HG2 GLU 14 HG2 GLU 14 10.039 -5.605 -2.090 94 HG3 GLU 14 HG3 GLU 14 9.981 -4.369 -3.346 95 H SER 15 HN SER 15 5.886 -4.506 -0.092 96 HA SER 15 HA SER 15 6.714 -6.943 1.003 97 HB2 SER 15 HB2 SER 15 4.946 -5.477 1.961 98 HB3 SER 15 HB3 SER 15 3.866 -5.977 0.660 99 HG SER 15 HG SER 15 3.470 -7.270 2.434 100 H ILE 16 HN ILE 16 4.976 -8.880 0.808 101 HA ILE 16 HA ILE 16 5.584 -10.265 -1.508 102 HB ILE 16 HB ILE 16 3.159 -10.663 0.254 103 HG12 ILE 16 HG12 ILE 16 5.832 -12.069 0.382 104 HG13 ILE 16 HG13 ILE 16 5.412 -10.698 1.402 105 HG21 ILE 16 HG21 ILE 16 4.522 -12.564 -1.649 106 HG22 ILE 16 HG22 ILE 16 3.194 -12.971 -0.564 107 HG23 ILE 16 HG23 ILE 16 2.939 -11.821 -1.875 108 HD11 ILE 16 HD11 ILE 16 5.100 -12.761 2.603 109 HD12 ILE 16 HD12 ILE 16 3.539 -11.990 2.327 110 HD13 ILE 16 HD13 ILE 16 4.028 -13.368 1.341 111 H ALA 17 HN ALA 17 2.450 -8.763 -0.700 112 HA ALA 17 HA ALA 17 0.737 -8.011 -1.987 113 HB1 ALA 17 HB1 ALA 17 2.431 -6.432 -2.746 114 HB2 ALA 17 HB2 ALA 17 2.923 -7.557 -4.012 115 HB3 ALA 17 HB3 ALA 17 1.311 -6.840 -4.045 116 H ASP 18 HN ASP 18 0.041 -8.164 -4.587 117 HA ASP 18 HA ASP 18 -0.838 -9.503 -6.191 118 HB2 ASP 18 HB2 ASP 18 1.299 -11.481 -5.373 119 HB3 ASP 18 HB3 ASP 18 0.346 -11.541 -6.853 120 H ASN 19 HN ASN 19 -1.011 -10.050 -3.040 121 HA ASN 19 HA ASN 19 -3.396 -11.501 -3.109 122 HB2 ASN 19 HB2 ASN 19 -2.692 -13.594 -2.102 123 HB3 ASN 19 HB3 ASN 19 -1.867 -13.370 -3.637 124 HD21 ASN 19 HD21 ASN 19 0.331 -12.982 -3.665 125 HD22 ASN 19 HD22 ASN 19 1.336 -13.241 -2.283 126 H ASN 20 HN ASN 20 -1.086 -9.639 -1.701 127 HA ASN 20 HA ASN 20 -2.346 -9.828 0.960 128 HB2 ASN 20 HB2 ASN 20 0.185 -10.480 0.628 129 HB3 ASN 20 HB3 ASN 20 0.426 -8.739 0.597 130 HD21 ASN 20 HD21 ASN 20 -1.677 -8.137 2.443 131 HD22 ASN 20 HD22 ASN 20 -1.140 -8.642 4.006 132 H ASP 21 HN ASP 21 -0.622 -7.657 -1.260 133 HA ASP 21 HA ASP 21 -1.171 -5.240 -0.004 134 HB2 ASP 21 HB2 ASP 21 -0.601 -4.184 -2.085 135 HB3 ASP 21 HB3 ASP 21 0.420 -5.607 -1.907 136 H ASP 22 HN ASP 22 -3.298 -7.331 -1.672 137 HA ASP 22 HA ASP 22 -5.169 -5.604 -2.767 138 HB2 ASP 22 HB2 ASP 22 -5.020 -8.160 -2.885 139 HB3 ASP 22 HB3 ASP 22 -5.921 -8.162 -1.371 140 H SER 23 HN SER 23 -4.654 -6.488 0.579 141 HA SER 23 HA SER 23 -6.669 -4.533 1.373 142 HB2 SER 23 HB2 SER 23 -6.519 -7.410 2.220 143 HB3 SER 23 HB3 SER 23 -7.226 -6.194 3.276 144 HG SER 23 HG SER 23 -8.033 -6.706 0.607 145 H TYR 24 HN TYR 24 -3.556 -5.381 1.468 146 HA TYR 24 HA TYR 24 -3.132 -4.551 4.252 147 HB2 TYR 24 HB2 TYR 24 -2.048 -6.594 3.960 148 HB3 TYR 24 HB3 TYR 24 -1.554 -6.206 2.318 149 HD1 TYR 24 HD1 TYR 24 -1.053 -4.704 5.691 150 HD2 TYR 24 HD2 TYR 24 0.731 -6.021 2.064 151 HE1 TYR 24 HE1 TYR 24 1.143 -4.026 6.537 152 HE2 TYR 24 HE2 TYR 24 2.944 -5.350 2.905 153 HH TYR 24 HH TYR 24 3.508 -4.552 6.161 154 H PHE 25 HN PHE 25 -2.267 -3.876 0.912 155 HA PHE 25 HA PHE 25 -0.915 -1.414 1.788 156 HB2 PHE 25 HB2 PHE 25 0.574 -2.754 0.475 157 HB3 PHE 25 HB3 PHE 25 -0.660 -3.036 -0.747 158 HD1 PHE 25 HD2 PHE 25 1.274 -0.279 0.834 159 HD2 PHE 25 HD1 PHE 25 -0.702 -1.725 -2.645 160 HE1 PHE 25 HE2 PHE 25 2.084 1.670 -0.430 161 HE2 PHE 25 HE1 PHE 25 0.102 0.224 -3.916 162 HZ PHE 25 HZ PHE 25 1.497 1.924 -2.808 163 H GLN 26 HN GLN 26 -3.599 -2.707 0.069 164 HA GLN 26 HA GLN 26 -4.299 -0.026 -0.925 165 HB2 GLN 26 HB2 GLN 26 -4.075 -1.754 -2.672 166 HB3 GLN 26 HB3 GLN 26 -5.309 -2.714 -1.871 167 HG2 GLN 26 HG2 GLN 26 -6.951 -0.969 -2.264 168 HG3 GLN 26 HG3 GLN 26 -5.718 0.034 -3.025 169 HE21 GLN 26 HE21 GLN 26 -8.219 -0.974 -4.113 170 HE22 GLN 26 HE22 GLN 26 -7.802 -1.897 -5.512 171 H ARG 27 HN ARG 27 -6.143 -2.966 -0.078 172 HA ARG 27 HA ARG 27 -8.157 -3.204 0.973 173 HB2 ARG 27 HB2 ARG 27 -6.279 -2.491 2.768 174 HB3 ARG 27 HB3 ARG 27 -7.419 -1.174 3.007 175 HG2 ARG 27 HG2 ARG 27 -8.149 -4.092 3.151 176 HG3 ARG 27 HG3 ARG 27 -7.739 -3.095 4.547 177 HD2 ARG 27 HD2 ARG 27 -10.010 -2.571 2.632 178 HD3 ARG 27 HD3 ARG 27 -10.170 -3.313 4.223 179 HE ARG 27 HE ARG 27 -8.880 -0.851 4.527 180 HH11 ARG 27 HH12 ARG 27 -11.995 -2.111 3.600 181 HH12 ARG 27 HH11 ARG 27 -12.866 -0.723 4.157 182 HH21 ARG 27 HH22 ARG 27 -10.018 0.986 5.257 183 HH22 ARG 27 HH21 ARG 27 -11.742 1.040 5.095 184 H LYS 28 HN LYS 28 -8.623 -1.644 -1.095 185 HA LYS 28 HA LYS 28 -9.913 -0.004 -1.992 186 HB2 LYS 28 HB2 LYS 28 -11.379 -0.706 0.532 187 HB3 LYS 28 HB3 LYS 28 -12.018 0.482 -0.601 188 HG2 LYS 28 HG2 LYS 28 -11.216 -2.267 -1.471 189 HG3 LYS 28 HG3 LYS 28 -12.830 -1.913 -0.846 190 HD2 LYS 28 HD2 LYS 28 -13.100 -0.202 -2.596 191 HD3 LYS 28 HD3 LYS 28 -11.503 -0.612 -3.224 192 HE2 LYS 28 HE2 LYS 28 -13.288 -1.688 -4.514 193 HE3 LYS 28 HE3 LYS 28 -12.250 -2.871 -3.718 194 HZ1 LYS 28 HZ1 LYS 28 -13.921 -3.086 -1.971 195 HZ2 LYS 28 HZ2 LYS 28 -14.564 -3.474 -3.487 196 HZ3 LYS 28 HZ3 LYS 28 -14.923 -1.982 -2.774 197 HA PRO 29 HA PRO 29 -7.937 3.475 0.278 198 HB2 PRO 29 HB2 PRO 29 -7.566 4.575 -2.410 199 HB3 PRO 29 HB3 PRO 29 -6.356 4.190 -1.184 200 HG2 PRO 29 HG2 PRO 29 -6.606 2.752 -3.450 201 HG3 PRO 29 HG3 PRO 29 -6.113 2.017 -1.913 202 HD2 PRO 29 HD2 PRO 29 -8.804 2.014 -3.238 203 HD3 PRO 29 HD3 PRO 29 -7.946 0.685 -2.430 204 H LYS 30 HN LYS 30 -8.139 5.983 -0.584 205 HA LYS 30 HA LYS 30 -9.495 7.798 -0.725 206 HB2 LYS 30 HB2 LYS 30 -11.421 5.977 -2.173 207 HB3 LYS 30 HB3 LYS 30 -11.378 7.734 -2.235 208 HG2 LYS 30 HG2 LYS 30 -9.188 5.920 -3.231 209 HG3 LYS 30 HG3 LYS 30 -10.430 6.664 -4.241 210 HD2 LYS 30 HD2 LYS 30 -9.641 8.889 -3.540 211 HD3 LYS 30 HD3 LYS 30 -8.374 8.123 -2.578 212 HE2 LYS 30 HE2 LYS 30 -8.713 7.948 -5.569 213 HE3 LYS 30 HE3 LYS 30 -7.482 8.870 -4.705 214 HZ1 LYS 30 HZ1 LYS 30 -6.588 6.806 -3.838 215 HZ2 LYS 30 HZ2 LYS 30 -6.615 6.768 -5.528 216 HZ3 LYS 30 HZ3 LYS 30 -7.778 5.915 -4.646 217 H LEU 31 HN LEU 31 -11.892 8.524 -0.263 218 HA LEU 31 HA LEU 31 -12.659 7.176 2.230 219 HB2 LEU 31 HB2 LEU 31 -13.124 9.985 1.240 220 HB3 LEU 31 HB3 LEU 31 -13.907 9.336 2.668 221 HG LEU 31 HG LEU 31 -11.537 8.872 3.541 222 HD11 LEU 31 HD11 LEU 31 -9.761 10.213 2.641 223 HD12 LEU 31 HD12 LEU 31 -10.428 9.214 1.352 224 HD13 LEU 31 HD13 LEU 31 -10.848 10.925 1.448 225 HD21 LEU 31 HD21 LEU 31 -11.333 11.145 4.397 226 HD22 LEU 31 HD22 LEU 31 -12.465 11.717 3.172 227 HD23 LEU 31 HD23 LEU 31 -13.011 10.605 4.429 228 H THR 32 HN THR 32 -14.376 9.101 -0.232 229 HA THR 32 HA THR 32 -16.346 6.951 -0.480 230 HB THR 32 HB THR 32 -17.125 9.826 0.050 231 HG1 THR 32 HG1 THR 32 -16.744 7.641 1.702 232 HG21 THR 32 HG21 THR 32 -18.804 7.342 -0.320 233 HG22 THR 32 HG22 THR 32 -18.680 8.691 -1.447 234 HG23 THR 32 HG23 THR 32 -19.415 8.931 0.137 235 H GLU 33 HN GLU 33 -15.982 10.332 -1.578 236 HA GLU 33 HA GLU 33 -15.476 9.524 -4.284 237 HB2 GLU 33 HB2 GLU 33 -17.914 9.190 -4.151 238 HB3 GLU 33 HB3 GLU 33 -18.111 10.861 -3.643 239 HG2 GLU 33 HG2 GLU 33 -18.647 10.636 -5.979 240 HG3 GLU 33 HG3 GLU 33 -17.187 11.607 -5.789 241 H ALA 34 HN ALA 34 -13.887 10.897 -4.730 242 HA ALA 34 HA ALA 34 -14.220 13.724 -3.968 243 HB1 ALA 34 HB1 ALA 34 -11.780 11.995 -4.184 244 HB2 ALA 34 HB2 ALA 34 -11.665 13.754 -4.267 245 HB3 ALA 34 HB3 ALA 34 -12.329 12.980 -2.829 246 HA PRO 35 HA PRO 35 -14.258 14.788 -8.259 247 HB2 PRO 35 HB2 PRO 35 -13.219 17.291 -8.190 248 HB3 PRO 35 HB3 PRO 35 -14.845 16.914 -7.609 249 HG2 PRO 35 HG2 PRO 35 -12.314 17.275 -6.051 250 HG3 PRO 35 HG3 PRO 35 -13.943 17.879 -5.695 251 HD2 PRO 35 HD2 PRO 35 -12.904 15.684 -4.495 252 HD3 PRO 35 HD3 PRO 35 -14.638 15.862 -4.827 Start of MODEL 9 1 H1 GLU 1 H1 GLU 1 7.637 14.328 10.834 2 H2 GLU 1 H2 GLU 1 8.118 12.723 11.077 3 H3 GLU 1 H3 GLU 1 7.705 13.692 12.400 4 HA GLU 1 HA GLU 1 5.433 13.820 11.673 5 HB2 GLU 1 HB2 GLU 1 5.901 13.676 9.258 6 HB3 GLU 1 HB3 GLU 1 6.342 11.985 9.446 7 HG2 GLU 1 HG2 GLU 1 4.070 11.464 10.153 8 HG3 GLU 1 HG3 GLU 1 3.625 13.160 9.986 9 H HIS 2 HN HIS 2 4.537 12.753 13.287 10 HA HIS 2 HA HIS 2 5.337 9.960 13.760 11 HB2 HIS 2 HB2 HIS 2 4.166 12.015 15.643 12 HB3 HIS 2 HB3 HIS 2 4.438 10.329 16.068 13 HD1 HIS 2 HD1 HIS 2 6.075 13.580 15.987 14 HD2 HIS 2 HD2 HIS 2 7.270 9.599 16.011 15 HE1 HIS 2 HE1 HIS 2 8.499 13.609 16.659 16 HE2 HIS 2 HE2 HIS 2 9.218 11.196 16.600 17 H LYS 3 HN LYS 3 2.664 12.071 13.090 18 HA LYS 3 HA LYS 3 0.529 10.437 13.861 19 HB2 LYS 3 HB2 LYS 3 0.428 12.859 13.153 20 HB3 LYS 3 HB3 LYS 3 0.549 12.305 11.491 21 HG2 LYS 3 HG2 LYS 3 -1.529 11.096 11.699 22 HG3 LYS 3 HG3 LYS 3 -1.635 11.522 13.409 23 HD2 LYS 3 HD2 LYS 3 -1.685 13.917 12.749 24 HD3 LYS 3 HD3 LYS 3 -1.737 13.409 11.061 25 HE2 LYS 3 HE2 LYS 3 -3.829 12.212 11.485 26 HE3 LYS 3 HE3 LYS 3 -3.776 12.714 13.175 27 HZ1 LYS 3 HZ1 LYS 3 -3.918 15.022 12.441 28 HZ2 LYS 3 HZ2 LYS 3 -5.246 14.128 11.899 29 HZ3 LYS 3 HZ3 LYS 3 -4.000 14.522 10.826 30 H HIS 4 HN HIS 4 -0.656 8.875 12.823 31 HA HIS 4 HA HIS 4 0.743 7.387 10.778 32 HB2 HIS 4 HB2 HIS 4 -1.192 5.781 11.080 33 HB3 HIS 4 HB3 HIS 4 -0.207 6.071 12.508 34 HD1 HIS 4 HD1 HIS 4 -3.624 6.645 11.112 35 HD2 HIS 4 HD2 HIS 4 -1.502 7.412 14.602 36 HE1 HIS 4 HE1 HIS 4 -5.343 7.358 12.802 37 HE2 HIS 4 HE2 HIS 4 -4.047 7.715 14.934 38 H SER 5 HN SER 5 -1.043 10.026 10.515 39 HA SER 5 HA SER 5 -2.815 9.167 8.382 40 HB2 SER 5 HB2 SER 5 -3.612 10.880 9.939 41 HB3 SER 5 HB3 SER 5 -2.266 11.930 9.498 42 HG SER 5 HG SER 5 -4.044 10.964 7.538 43 H ASP 6 HN ASP 6 -1.070 8.376 7.019 44 HA ASP 6 HA ASP 6 0.513 10.483 5.730 45 HB2 ASP 6 HB2 ASP 6 1.757 8.537 6.573 46 HB3 ASP 6 HB3 ASP 6 0.789 7.475 5.557 47 H GLU 7 HN GLU 7 -0.920 7.438 4.542 48 HA GLU 7 HA GLU 7 -2.676 8.715 2.708 49 HB2 GLU 7 HB2 GLU 7 -0.400 9.131 1.663 50 HB3 GLU 7 HB3 GLU 7 -0.279 7.394 1.433 51 HG2 GLU 7 HG2 GLU 7 -2.522 9.057 0.319 52 HG3 GLU 7 HG3 GLU 7 -1.037 8.705 -0.562 53 H SER 8 HN SER 8 -0.661 5.823 2.268 54 HA SER 8 HA SER 8 -3.041 4.199 1.962 55 HB2 SER 8 HB2 SER 8 -1.457 2.396 1.385 56 HB3 SER 8 HB3 SER 8 -1.145 3.854 0.441 57 HG SER 8 HG SER 8 0.665 4.221 1.570 58 H THR 9 HN THR 9 -1.489 5.336 4.550 59 HA THR 9 HA THR 9 -1.233 4.743 6.725 60 HB THR 9 HB THR 9 -3.023 3.595 7.749 61 HG1 THR 9 HG1 THR 9 -4.520 2.509 5.987 62 HG21 THR 9 HG21 THR 9 -4.058 4.922 5.246 63 HG22 THR 9 HG22 THR 9 -3.694 5.715 6.778 64 HG23 THR 9 HG23 THR 9 -5.024 4.562 6.677 65 H SER 10 HN SER 10 0.126 3.091 4.563 66 HA SER 10 HA SER 10 1.429 1.273 6.308 67 HB2 SER 10 HB2 SER 10 -0.718 0.032 5.780 68 HB3 SER 10 HB3 SER 10 -0.165 -0.042 4.106 69 HG SER 10 HG SER 10 1.486 -1.339 4.690 70 H GLU 11 HN GLU 11 1.648 3.369 4.045 71 HA GLU 11 HA GLU 11 2.914 2.305 1.822 72 HB2 GLU 11 HB2 GLU 11 2.285 4.775 2.472 73 HB3 GLU 11 HB3 GLU 11 3.946 4.806 3.053 74 HG2 GLU 11 HG2 GLU 11 4.706 4.123 0.804 75 HG3 GLU 11 HG3 GLU 11 3.038 4.235 0.245 76 H SEP 12 HN SER 12 4.034 2.738 5.040 77 HA SEP 12 HA SER 12 6.824 2.487 4.526 78 HB2 SEP 12 HB2 SER 12 5.876 3.503 6.600 79 HB3 SEP 12 HB3 SER 12 5.325 1.902 7.091 80 H PHE 13 HN PHE 13 4.636 0.413 3.683 81 HA PHE 13 HA PHE 13 6.268 -1.931 4.407 82 HB2 PHE 13 HB2 PHE 13 3.783 -1.551 5.438 83 HB3 PHE 13 HB3 PHE 13 3.387 -2.416 3.955 84 HD1 PHE 13 HD1 PHE 13 4.078 -4.711 3.629 85 HD2 PHE 13 HD2 PHE 13 5.016 -2.620 7.215 86 HE1 PHE 13 HE1 PHE 13 4.638 -6.843 4.721 87 HE2 PHE 13 HE2 PHE 13 5.581 -4.749 8.312 88 HZ PHE 13 HZ PHE 13 5.391 -6.863 7.067 89 H GLU 14 HN GLU 14 5.809 -3.799 2.878 90 HA GLU 14 HA GLU 14 4.680 -3.308 0.343 91 HB2 GLU 14 HB2 GLU 14 6.723 -1.865 0.223 92 HB3 GLU 14 HB3 GLU 14 7.698 -3.317 0.410 93 HG2 GLU 14 HG2 GLU 14 6.721 -4.219 -1.642 94 HG3 GLU 14 HG3 GLU 14 5.788 -2.734 -1.832 95 H SER 15 HN SER 15 3.791 -5.326 1.080 96 HA SER 15 HA SER 15 5.493 -7.629 1.341 97 HB2 SER 15 HB2 SER 15 2.483 -7.546 1.047 98 HB3 SER 15 HB3 SER 15 3.448 -8.871 1.696 99 HG SER 15 HG SER 15 3.943 -6.538 2.985 100 H ILE 16 HN ILE 16 4.196 -9.628 0.022 101 HA ILE 16 HA ILE 16 5.281 -9.501 -2.560 102 HB ILE 16 HB ILE 16 3.253 -11.382 -1.352 103 HG12 ILE 16 HG12 ILE 16 5.271 -12.958 -1.587 104 HG13 ILE 16 HG13 ILE 16 6.222 -11.505 -1.865 105 HG21 ILE 16 HG21 ILE 16 4.599 -11.568 -4.045 106 HG22 ILE 16 HG22 ILE 16 3.681 -12.865 -3.281 107 HG23 ILE 16 HG23 ILE 16 2.874 -11.366 -3.740 108 HD11 ILE 16 HD11 ILE 16 4.528 -11.893 0.582 109 HD12 ILE 16 HD12 ILE 16 6.212 -12.409 0.480 110 HD13 ILE 16 HD13 ILE 16 5.802 -10.703 0.311 111 H ALA 17 HN ALA 17 2.210 -8.527 -1.312 112 HA ALA 17 HA ALA 17 0.452 -7.420 -2.229 113 HB1 ALA 17 HB1 ALA 17 2.200 -6.086 -3.353 114 HB2 ALA 17 HB2 ALA 17 2.138 -7.200 -4.718 115 HB3 ALA 17 HB3 ALA 17 0.723 -6.231 -4.305 116 H ASP 18 HN ASP 18 -1.249 -7.581 -3.895 117 HA ASP 18 HA ASP 18 -2.720 -8.741 -5.167 118 HB2 ASP 18 HB2 ASP 18 -0.321 -10.441 -5.875 119 HB3 ASP 18 HB3 ASP 18 -1.894 -10.546 -6.659 120 H ASN 19 HN ASN 19 -1.491 -9.727 -2.415 121 HA ASN 19 HA ASN 19 -3.523 -11.644 -1.928 122 HB2 ASN 19 HB2 ASN 19 -2.117 -13.570 -1.461 123 HB3 ASN 19 HB3 ASN 19 -1.920 -13.074 -3.137 124 HD21 ASN 19 HD21 ASN 19 0.019 -12.226 -3.814 125 HD22 ASN 19 HD22 ASN 19 1.458 -12.312 -2.861 126 H ASN 20 HN ASN 20 -1.755 -9.204 -0.936 127 HA ASN 20 HA ASN 20 -2.222 -9.750 1.854 128 HB2 ASN 20 HB2 ASN 20 -0.022 -10.754 1.604 129 HB3 ASN 20 HB3 ASN 20 0.584 -9.291 0.831 130 HD21 ASN 20 HD21 ASN 20 0.479 -7.312 2.127 131 HD22 ASN 20 HD22 ASN 20 0.773 -7.425 3.821 132 H ASP 21 HN ASP 21 -0.948 -7.601 -0.619 133 HA ASP 21 HA ASP 21 -0.955 -5.251 0.939 134 HB2 ASP 21 HB2 ASP 21 -1.025 -5.698 -2.048 135 HB3 ASP 21 HB3 ASP 21 -0.914 -4.101 -1.314 136 H ASP 22 HN ASP 22 -3.308 -6.796 -1.185 137 HA ASP 22 HA ASP 22 -5.249 -4.789 -1.192 138 HB2 ASP 22 HB2 ASP 22 -6.729 -6.436 -2.017 139 HB3 ASP 22 HB3 ASP 22 -5.134 -6.963 -2.553 140 H SER 23 HN SER 23 -3.997 -6.475 1.378 141 HA SER 23 HA SER 23 -6.427 -6.556 2.958 142 HB2 SER 23 HB2 SER 23 -3.577 -7.252 3.694 143 HB3 SER 23 HB3 SER 23 -4.987 -7.526 4.707 144 HG SER 23 HG SER 23 -4.531 -9.416 3.611 145 H TYR 24 HN TYR 24 -3.304 -4.797 2.920 146 HA TYR 24 HA TYR 24 -4.668 -2.661 4.370 147 HB2 TYR 24 HB2 TYR 24 -2.746 -2.426 5.958 148 HB3 TYR 24 HB3 TYR 24 -3.772 -3.826 6.215 149 HD1 TYR 24 HD2 TYR 24 -0.507 -2.727 4.851 150 HD2 TYR 24 HD1 TYR 24 -2.871 -6.006 6.173 151 HE1 TYR 24 HE2 TYR 24 1.486 -4.167 4.822 152 HE2 TYR 24 HE1 TYR 24 -0.883 -7.454 6.152 153 HH TYR 24 HH TYR 24 1.307 -7.562 5.112 154 H PHE 25 HN PHE 25 -2.160 -3.621 2.193 155 HA PHE 25 HA PHE 25 -1.056 -0.913 2.130 156 HB2 PHE 25 HB2 PHE 25 0.507 -2.819 2.033 157 HB3 PHE 25 HB3 PHE 25 -0.244 -3.352 0.536 158 HD1 PHE 25 HD1 PHE 25 1.757 -0.679 2.092 159 HD2 PHE 25 HD2 PHE 25 0.305 -2.354 -1.541 160 HE1 PHE 25 HE1 PHE 25 3.284 0.769 0.819 161 HE2 PHE 25 HE2 PHE 25 1.830 -0.909 -2.821 162 HZ PHE 25 HZ PHE 25 3.323 0.655 -1.641 163 H GLN 26 HN GLN 26 -1.971 -3.200 -0.441 164 HA GLN 26 HA GLN 26 -2.475 -1.210 -2.352 165 HB2 GLN 26 HB2 GLN 26 -1.999 -3.553 -2.927 166 HB3 GLN 26 HB3 GLN 26 -3.537 -4.037 -2.228 167 HG2 GLN 26 HG2 GLN 26 -4.747 -2.841 -3.905 168 HG3 GLN 26 HG3 GLN 26 -3.258 -2.151 -4.548 169 HE21 GLN 26 HE21 GLN 26 -5.241 -4.992 -4.316 170 HE22 GLN 26 HE22 GLN 26 -4.441 -5.899 -5.550 171 H ARG 27 HN ARG 27 -4.745 -3.162 -0.418 172 HA ARG 27 HA ARG 27 -6.912 -2.842 0.181 173 HB2 ARG 27 HB2 ARG 27 -5.999 0.023 -0.032 174 HB3 ARG 27 HB3 ARG 27 -7.602 -0.421 0.536 175 HG2 ARG 27 HG2 ARG 27 -5.013 -1.304 1.795 176 HG3 ARG 27 HG3 ARG 27 -6.031 0.018 2.370 177 HD2 ARG 27 HD2 ARG 27 -6.695 -2.917 2.265 178 HD3 ARG 27 HD3 ARG 27 -6.538 -1.895 3.693 179 HE ARG 27 HE ARG 27 -8.546 -0.706 2.360 180 HH11 ARG 27 HH12 ARG 27 -7.961 -4.028 3.228 181 HH12 ARG 27 HH11 ARG 27 -9.641 -4.427 3.353 182 HH21 ARG 27 HH22 ARG 27 -10.765 -1.225 2.521 183 HH22 ARG 27 HH21 ARG 27 -11.234 -2.835 2.949 184 H LYS 28 HN LYS 28 -7.253 -3.793 -2.052 185 HA LYS 28 HA LYS 28 -8.996 -1.980 -3.569 186 HB2 LYS 28 HB2 LYS 28 -6.650 -3.448 -4.516 187 HB3 LYS 28 HB3 LYS 28 -8.091 -3.760 -5.474 188 HG2 LYS 28 HG2 LYS 28 -7.022 -1.962 -6.521 189 HG3 LYS 28 HG3 LYS 28 -8.356 -1.243 -5.618 190 HD2 LYS 28 HD2 LYS 28 -6.812 -0.644 -3.818 191 HD3 LYS 28 HD3 LYS 28 -5.482 -1.367 -4.718 192 HE2 LYS 28 HE2 LYS 28 -5.819 0.248 -6.521 193 HE3 LYS 28 HE3 LYS 28 -7.163 0.963 -5.632 194 HZ1 LYS 28 HZ1 LYS 28 -4.339 0.879 -4.716 195 HZ2 LYS 28 HZ2 LYS 28 -5.627 1.572 -3.868 196 HZ3 LYS 28 HZ3 LYS 28 -5.130 2.236 -5.342 197 HA PRO 29 HA PRO 29 -11.254 -5.809 -2.144 198 HB2 PRO 29 HB2 PRO 29 -13.441 -3.810 -2.051 199 HB3 PRO 29 HB3 PRO 29 -12.962 -5.011 -0.849 200 HG2 PRO 29 HG2 PRO 29 -12.442 -2.426 -0.469 201 HG3 PRO 29 HG3 PRO 29 -11.272 -3.673 0.009 202 HD2 PRO 29 HD2 PRO 29 -11.265 -1.896 -2.403 203 HD3 PRO 29 HD3 PRO 29 -9.915 -2.373 -1.351 204 H LYS 30 HN LYS 30 -12.106 -3.264 -4.444 205 HA LYS 30 HA LYS 30 -13.208 -5.334 -6.207 206 HB2 LYS 30 HB2 LYS 30 -14.955 -3.609 -6.913 207 HB3 LYS 30 HB3 LYS 30 -15.190 -4.398 -5.362 208 HG2 LYS 30 HG2 LYS 30 -15.686 -2.152 -4.969 209 HG3 LYS 30 HG3 LYS 30 -14.055 -2.363 -4.333 210 HD2 LYS 30 HD2 LYS 30 -13.106 -1.353 -6.308 211 HD3 LYS 30 HD3 LYS 30 -14.695 -1.270 -7.072 212 HE2 LYS 30 HE2 LYS 30 -14.024 0.901 -6.171 213 HE3 LYS 30 HE3 LYS 30 -15.454 0.277 -5.348 214 HZ1 LYS 30 HZ1 LYS 30 -14.044 -0.454 -3.529 215 HZ2 LYS 30 HZ2 LYS 30 -13.872 1.208 -3.784 216 HZ3 LYS 30 HZ3 LYS 30 -12.671 0.144 -4.317 217 H LEU 31 HN LEU 31 -13.402 -4.589 -8.484 218 HA LEU 31 HA LEU 31 -11.946 -2.285 -9.333 219 HB2 LEU 31 HB2 LEU 31 -10.103 -3.382 -10.439 220 HB3 LEU 31 HB3 LEU 31 -10.068 -3.746 -8.725 221 HG LEU 31 HG LEU 31 -11.274 -5.664 -10.704 222 HD11 LEU 31 HD11 LEU 31 -8.993 -5.191 -11.442 223 HD12 LEU 31 HD12 LEU 31 -8.394 -5.539 -9.820 224 HD13 LEU 31 HD13 LEU 31 -9.131 -6.821 -10.781 225 HD21 LEU 31 HD21 LEU 31 -10.753 -7.297 -8.969 226 HD22 LEU 31 HD22 LEU 31 -10.052 -6.026 -7.969 227 HD23 LEU 31 HD23 LEU 31 -11.777 -6.009 -8.334 228 H THR 32 HN THR 32 -13.437 -5.370 -10.093 229 HA THR 32 HA THR 32 -14.559 -4.174 -12.512 230 HB THR 32 HB THR 32 -12.580 -5.374 -13.307 231 HG1 THR 32 HG1 THR 32 -14.674 -7.069 -14.076 232 HG21 THR 32 HG21 THR 32 -12.407 -7.803 -13.083 233 HG22 THR 32 HG22 THR 32 -13.863 -7.823 -12.089 234 HG23 THR 32 HG23 THR 32 -12.404 -7.025 -11.499 235 H GLU 33 HN GLU 33 -15.227 -5.455 -9.696 236 HA GLU 33 HA GLU 33 -17.527 -7.008 -10.690 237 HB2 GLU 33 HB2 GLU 33 -17.472 -8.272 -8.584 238 HB3 GLU 33 HB3 GLU 33 -15.975 -8.450 -9.490 239 HG2 GLU 33 HG2 GLU 33 -14.922 -6.770 -8.034 240 HG3 GLU 33 HG3 GLU 33 -16.415 -6.676 -7.099 241 H ALA 34 HN ALA 34 -16.413 -4.390 -8.770 242 HA ALA 34 HA ALA 34 -17.472 -2.720 -7.654 243 HB1 ALA 34 HB1 ALA 34 -19.977 -3.792 -8.951 244 HB2 ALA 34 HB2 ALA 34 -19.775 -2.201 -8.215 245 HB3 ALA 34 HB3 ALA 34 -18.872 -2.620 -9.670 246 HA PRO 35 HA PRO 35 -18.742 -4.378 -3.774 247 HB2 PRO 35 HB2 PRO 35 -20.483 -2.013 -3.404 248 HB3 PRO 35 HB3 PRO 35 -19.126 -2.574 -2.424 249 HG2 PRO 35 HG2 PRO 35 -18.904 -0.418 -3.988 250 HG3 PRO 35 HG3 PRO 35 -17.553 -1.544 -3.771 251 HD2 PRO 35 HD2 PRO 35 -19.447 -1.272 -6.073 252 HD3 PRO 35 HD3 PRO 35 -17.698 -1.582 -6.082 Start of MODEL 10 1 H1 GLU 1 H1 GLU 1 10.521 7.596 -13.269 2 H2 GLU 1 H2 GLU 1 11.515 6.813 -12.147 3 H3 GLU 1 H3 GLU 1 10.608 8.162 -11.676 4 HA GLU 1 HA GLU 1 8.559 6.961 -12.039 5 HB2 GLU 1 HB2 GLU 1 9.477 5.488 -13.820 6 HB3 GLU 1 HB3 GLU 1 10.373 4.604 -12.592 7 HG2 GLU 1 HG2 GLU 1 8.247 3.978 -11.525 8 HG3 GLU 1 HG3 GLU 1 7.379 4.813 -12.811 9 H HIS 2 HN HIS 2 11.576 5.891 -10.576 10 HA HIS 2 HA HIS 2 10.153 4.915 -8.218 11 HB2 HIS 2 HB2 HIS 2 13.070 4.787 -8.999 12 HB3 HIS 2 HB3 HIS 2 12.424 4.157 -7.487 13 HD1 HIS 2 HD1 HIS 2 12.823 3.352 -11.065 14 HD2 HIS 2 HD2 HIS 2 10.731 1.873 -7.794 15 HE1 HIS 2 HE1 HIS 2 12.053 1.055 -11.742 16 HE2 HIS 2 HE2 HIS 2 10.904 0.132 -9.699 17 H LYS 3 HN LYS 3 10.701 5.631 -6.097 18 HA LYS 3 HA LYS 3 11.021 7.213 -4.499 19 HB2 LYS 3 HB2 LYS 3 13.216 8.098 -6.381 20 HB3 LYS 3 HB3 LYS 3 13.024 8.667 -4.728 21 HG2 LYS 3 HG2 LYS 3 13.419 5.776 -5.461 22 HG3 LYS 3 HG3 LYS 3 14.733 6.874 -5.039 23 HD2 LYS 3 HD2 LYS 3 12.372 6.370 -3.238 24 HD3 LYS 3 HD3 LYS 3 13.859 5.424 -3.163 25 HE2 LYS 3 HE2 LYS 3 13.707 8.421 -2.853 26 HE3 LYS 3 HE3 LYS 3 13.778 7.275 -1.514 27 HZ1 LYS 3 HZ1 LYS 3 15.854 7.612 -3.611 28 HZ2 LYS 3 HZ2 LYS 3 15.924 6.517 -2.324 29 HZ3 LYS 3 HZ3 LYS 3 15.957 8.180 -2.020 30 H HIS 4 HN HIS 4 9.283 8.491 -4.380 31 HA HIS 4 HA HIS 4 9.286 10.945 -5.986 32 HB2 HIS 4 HB2 HIS 4 7.721 9.394 -7.064 33 HB3 HIS 4 HB3 HIS 4 6.874 9.177 -5.537 34 HD1 HIS 4 HD1 HIS 4 4.765 10.442 -5.516 35 HD2 HIS 4 HD2 HIS 4 7.717 12.429 -7.660 36 HE1 HIS 4 HE1 HIS 4 3.692 12.565 -6.329 37 HE2 HIS 4 HE2 HIS 4 5.513 13.779 -7.575 38 H SER 5 HN SER 5 7.321 9.371 -3.475 39 HA SER 5 HA SER 5 7.246 11.910 -2.014 40 HB2 SER 5 HB2 SER 5 5.078 10.879 -2.459 41 HB3 SER 5 HB3 SER 5 5.601 9.390 -1.671 42 HG SER 5 HG SER 5 4.332 11.176 -0.474 43 H ASP 6 HN ASP 6 7.505 8.445 -1.175 44 HA ASP 6 HA ASP 6 9.586 9.161 0.772 45 HB2 ASP 6 HB2 ASP 6 7.539 8.906 2.051 46 HB3 ASP 6 HB3 ASP 6 7.218 7.349 1.291 47 H GLU 7 HN GLU 7 7.944 6.441 -0.838 48 HA GLU 7 HA GLU 7 10.493 5.343 -1.638 49 HB2 GLU 7 HB2 GLU 7 10.197 4.463 0.666 50 HB3 GLU 7 HB3 GLU 7 8.680 3.728 0.166 51 HG2 GLU 7 HG2 GLU 7 9.910 2.364 -1.472 52 HG3 GLU 7 HG3 GLU 7 11.418 3.065 -0.888 53 H SER 8 HN SER 8 7.294 3.864 -1.131 54 HA SER 8 HA SER 8 7.212 3.218 -3.989 55 HB2 SER 8 HB2 SER 8 5.546 2.163 -1.687 56 HB3 SER 8 HB3 SER 8 5.425 1.624 -3.363 57 HG SER 8 HG SER 8 7.425 0.729 -3.224 58 H THR 9 HN THR 9 6.668 5.872 -2.858 59 HA THR 9 HA THR 9 5.124 7.549 -2.827 60 HB THR 9 HB THR 9 5.698 7.317 -5.230 61 HG1 THR 9 HG1 THR 9 4.448 9.027 -5.170 62 HG21 THR 9 HG21 THR 9 4.031 6.317 -6.756 63 HG22 THR 9 HG22 THR 9 3.147 5.702 -5.358 64 HG23 THR 9 HG23 THR 9 4.776 5.119 -5.699 65 H SER 10 HN SER 10 4.229 5.167 -1.442 66 HA SER 10 HA SER 10 1.352 5.711 -1.526 67 HB2 SER 10 HB2 SER 10 2.558 2.933 -1.482 68 HB3 SER 10 HB3 SER 10 0.844 3.302 -1.300 69 HG SER 10 HG SER 10 0.787 4.034 -3.391 70 H GLU 11 HN GLU 11 3.728 3.685 0.207 71 HA GLU 11 HA GLU 11 3.474 5.093 2.640 72 HB2 GLU 11 HB2 GLU 11 1.278 4.064 2.737 73 HB3 GLU 11 HB3 GLU 11 1.984 2.478 2.465 74 HG2 GLU 11 HG2 GLU 11 3.105 2.565 4.599 75 HG3 GLU 11 HG3 GLU 11 2.531 4.212 4.864 76 H SEP 12 HN SER 12 3.641 1.620 2.276 77 HA SEP 12 HA SER 12 6.532 1.714 2.783 78 HB2 SEP 12 HB2 SER 12 4.597 -0.179 4.138 79 HB3 SEP 12 HB3 SER 12 6.344 -0.131 4.374 80 H PHE 13 HN PHE 13 4.067 0.655 0.838 81 HA PHE 13 HA PHE 13 5.800 -1.003 -0.710 82 HB2 PHE 13 HB2 PHE 13 3.945 -2.247 1.183 83 HB3 PHE 13 HB3 PHE 13 3.710 -2.798 -0.472 84 HD1 PHE 13 HD2 PHE 13 5.963 -3.406 -1.733 85 HD2 PHE 13 HD1 PHE 13 5.451 -3.370 2.493 86 HE1 PHE 13 HE2 PHE 13 7.875 -4.937 -1.493 87 HE2 PHE 13 HE1 PHE 13 7.365 -4.899 2.740 88 HZ PHE 13 HZ PHE 13 8.571 -5.694 0.740 89 H GLU 14 HN GLU 14 3.786 -2.357 -2.168 90 HA GLU 14 HA GLU 14 1.726 -0.553 -2.924 91 HB2 GLU 14 HB2 GLU 14 3.656 0.597 -3.921 92 HB3 GLU 14 HB3 GLU 14 4.065 -0.863 -4.808 93 HG2 GLU 14 HG2 GLU 14 1.923 -0.730 -5.984 94 HG3 GLU 14 HG3 GLU 14 1.557 0.761 -5.117 95 H SER 15 HN SER 15 3.761 -3.285 -3.881 96 HA SER 15 HA SER 15 1.525 -4.999 -4.209 97 HB2 SER 15 HB2 SER 15 1.741 -5.421 -6.635 98 HB3 SER 15 HB3 SER 15 1.220 -3.772 -6.294 99 HG SER 15 HG SER 15 3.219 -4.455 -7.778 100 H ILE 16 HN ILE 16 2.145 -7.048 -3.958 101 HA ILE 16 HA ILE 16 4.894 -7.819 -4.610 102 HB ILE 16 HB ILE 16 5.102 -9.057 -2.495 103 HG12 ILE 16 HG12 ILE 16 2.651 -7.512 -1.631 104 HG13 ILE 16 HG13 ILE 16 2.643 -9.219 -2.063 105 HG21 ILE 16 HG21 ILE 16 4.639 -6.094 -2.187 106 HG22 ILE 16 HG22 ILE 16 5.545 -7.109 -1.067 107 HG23 ILE 16 HG23 ILE 16 6.131 -6.870 -2.713 108 HD11 ILE 16 HD11 ILE 16 2.712 -8.902 0.343 109 HD12 ILE 16 HD12 ILE 16 4.174 -9.694 -0.243 110 HD13 ILE 16 HD13 ILE 16 4.208 -7.985 0.182 111 H ALA 17 HN ALA 17 1.561 -8.554 -4.257 112 HA ALA 17 HA ALA 17 1.688 -10.805 -5.950 113 HB1 ALA 17 HB1 ALA 17 0.982 -12.547 -4.344 114 HB2 ALA 17 HB2 ALA 17 2.616 -11.955 -4.045 115 HB3 ALA 17 HB3 ALA 17 1.283 -11.414 -3.025 116 H ASP 18 HN ASP 18 -0.523 -11.076 -3.299 117 HA ASP 18 HA ASP 18 -2.556 -9.335 -4.058 118 HB2 ASP 18 HB2 ASP 18 -4.114 -10.939 -5.194 119 HB3 ASP 18 HB3 ASP 18 -2.710 -10.503 -6.162 120 H ASN 19 HN ASN 19 -1.264 -10.850 -1.808 121 HA ASN 19 HA ASN 19 -3.755 -11.724 -0.510 122 HB2 ASN 19 HB2 ASN 19 -2.555 -13.517 0.630 123 HB3 ASN 19 HB3 ASN 19 -2.414 -13.706 -1.115 124 HD21 ASN 19 HD21 ASN 19 -0.433 -13.338 -2.112 125 HD22 ASN 19 HD22 ASN 19 1.045 -13.278 -1.220 126 H ASN 20 HN ASN 20 -1.103 -9.687 -0.466 127 HA ASN 20 HA ASN 20 -1.581 -9.052 2.365 128 HB2 ASN 20 HB2 ASN 20 0.529 -10.228 2.316 129 HB3 ASN 20 HB3 ASN 20 1.104 -9.228 0.986 130 HD21 ASN 20 HD21 ASN 20 1.161 -6.860 1.451 131 HD22 ASN 20 HD22 ASN 20 1.681 -6.368 3.020 132 H ASP 21 HN ASP 21 0.162 -7.830 -0.481 133 HA ASP 21 HA ASP 21 0.051 -5.130 0.179 134 HB2 ASP 21 HB2 ASP 21 0.530 -4.707 -2.203 135 HB3 ASP 21 HB3 ASP 21 1.545 -5.994 -1.559 136 H ASP 22 HN ASP 22 -2.109 -7.135 -1.778 137 HA ASP 22 HA ASP 22 -3.982 -4.958 -2.136 138 HB2 ASP 22 HB2 ASP 22 -3.892 -7.840 -2.999 139 HB3 ASP 22 HB3 ASP 22 -5.356 -6.877 -3.195 140 H SER 23 HN SER 23 -3.231 -6.236 0.534 141 HA SER 23 HA SER 23 -5.938 -7.024 1.384 142 HB2 SER 23 HB2 SER 23 -4.191 -8.731 1.778 143 HB3 SER 23 HB3 SER 23 -3.303 -7.575 2.769 144 HG SER 23 HG SER 23 -5.517 -9.075 3.377 145 H TYR 24 HN TYR 24 -3.088 -5.095 2.369 146 HA TYR 24 HA TYR 24 -4.976 -3.266 3.667 147 HB2 TYR 24 HB2 TYR 24 -3.499 -3.031 5.632 148 HB3 TYR 24 HB3 TYR 24 -4.218 -4.628 5.492 149 HD1 TYR 24 HD2 TYR 24 -2.786 -6.510 4.586 150 HD2 TYR 24 HD1 TYR 24 -1.174 -2.752 5.754 151 HE1 TYR 24 HE2 TYR 24 -0.551 -7.521 4.734 152 HE2 TYR 24 HE1 TYR 24 1.066 -3.751 5.903 153 HH TYR 24 HH TYR 24 1.838 -6.733 4.594 154 H PHE 25 HN PHE 25 -2.621 -3.574 1.452 155 HA PHE 25 HA PHE 25 -1.516 -0.893 1.961 156 HB2 PHE 25 HB2 PHE 25 -0.488 -3.269 0.475 157 HB3 PHE 25 HB3 PHE 25 0.006 -1.672 -0.062 158 HD1 PHE 25 HD2 PHE 25 0.668 -0.105 2.079 159 HD2 PHE 25 HD1 PHE 25 0.998 -4.341 1.832 160 HE1 PHE 25 HE2 PHE 25 2.403 -0.068 3.824 161 HE2 PHE 25 HE1 PHE 25 2.730 -4.312 3.578 162 HZ PHE 25 HZ PHE 25 3.477 -2.164 4.534 163 H GLN 26 HN GLN 26 -3.460 -2.784 -0.179 164 HA GLN 26 HA GLN 26 -3.898 -0.407 -1.856 165 HB2 GLN 26 HB2 GLN 26 -3.006 -3.018 -2.639 166 HB3 GLN 26 HB3 GLN 26 -4.583 -2.707 -3.352 167 HG2 GLN 26 HG2 GLN 26 -2.190 -0.898 -3.580 168 HG3 GLN 26 HG3 GLN 26 -2.725 -2.041 -4.810 169 HE21 GLN 26 HE21 GLN 26 -5.549 -1.534 -4.281 170 HE22 GLN 26 HE22 GLN 26 -5.899 0.005 -4.978 171 H ARG 27 HN ARG 27 -5.229 -2.992 -0.013 172 HA ARG 27 HA ARG 27 -7.909 -2.722 -1.031 173 HB2 ARG 27 HB2 ARG 27 -6.615 -4.712 0.277 174 HB3 ARG 27 HB3 ARG 27 -7.484 -3.975 1.615 175 HG2 ARG 27 HG2 ARG 27 -8.782 -4.893 -0.938 176 HG3 ARG 27 HG3 ARG 27 -8.674 -5.863 0.531 177 HD2 ARG 27 HD2 ARG 27 -9.999 -3.161 0.329 178 HD3 ARG 27 HD3 ARG 27 -10.845 -4.706 0.290 179 HE ARG 27 HE ARG 27 -9.277 -4.607 2.608 180 HH11 ARG 27 HH12 ARG 27 -12.083 -3.068 1.232 181 HH12 ARG 27 HH11 ARG 27 -12.806 -2.723 2.767 182 HH21 ARG 27 HH22 ARG 27 -10.221 -4.162 4.634 183 HH22 ARG 27 HH21 ARG 27 -11.747 -3.344 4.704 184 H LYS 28 HN LYS 28 -7.512 -0.261 -0.601 185 HA LYS 28 HA LYS 28 -8.078 1.628 0.511 186 HB2 LYS 28 HB2 LYS 28 -10.037 -0.344 1.650 187 HB3 LYS 28 HB3 LYS 28 -10.060 1.356 2.109 188 HG2 LYS 28 HG2 LYS 28 -10.147 0.486 -0.752 189 HG3 LYS 28 HG3 LYS 28 -11.610 0.634 0.228 190 HD2 LYS 28 HD2 LYS 28 -11.019 2.985 0.686 191 HD3 LYS 28 HD3 LYS 28 -9.603 2.813 -0.354 192 HE2 LYS 28 HE2 LYS 28 -11.400 3.875 -1.580 193 HE3 LYS 28 HE3 LYS 28 -11.084 2.272 -2.244 194 HZ1 LYS 28 HZ1 LYS 28 -12.979 1.426 -1.006 195 HZ2 LYS 28 HZ2 LYS 28 -13.451 2.685 -2.032 196 HZ3 LYS 28 HZ3 LYS 28 -13.284 2.965 -0.373 197 HA PRO 29 HA PRO 29 -5.627 0.754 4.276 198 HB2 PRO 29 HB2 PRO 29 -3.534 2.409 3.614 199 HB3 PRO 29 HB3 PRO 29 -3.624 0.696 3.207 200 HG2 PRO 29 HG2 PRO 29 -3.765 2.981 1.447 201 HG3 PRO 29 HG3 PRO 29 -3.692 1.264 1.030 202 HD2 PRO 29 HD2 PRO 29 -5.999 3.057 1.098 203 HD3 PRO 29 HD3 PRO 29 -5.849 1.447 0.369 204 H LYS 30 HN LYS 30 -6.586 1.808 5.903 205 HA LYS 30 HA LYS 30 -6.042 4.631 6.233 206 HB2 LYS 30 HB2 LYS 30 -8.622 4.726 7.006 207 HB3 LYS 30 HB3 LYS 30 -8.071 5.189 5.404 208 HG2 LYS 30 HG2 LYS 30 -10.021 3.785 5.236 209 HG3 LYS 30 HG3 LYS 30 -8.617 2.942 4.581 210 HD2 LYS 30 HD2 LYS 30 -8.398 1.657 6.630 211 HD3 LYS 30 HD3 LYS 30 -9.738 2.550 7.354 212 HE2 LYS 30 HE2 LYS 30 -9.922 0.808 4.899 213 HE3 LYS 30 HE3 LYS 30 -10.427 0.339 6.522 214 HZ1 LYS 30 HZ1 LYS 30 -12.288 1.087 5.154 215 HZ2 LYS 30 HZ2 LYS 30 -11.561 2.604 4.969 216 HZ3 LYS 30 HZ3 LYS 30 -12.069 2.091 6.499 217 H LEU 31 HN LEU 31 -6.201 1.613 7.387 218 HA LEU 31 HA LEU 31 -6.212 0.614 9.445 219 HB2 LEU 31 HB2 LEU 31 -4.786 3.205 10.023 220 HB3 LEU 31 HB3 LEU 31 -4.839 1.857 11.141 221 HG LEU 31 HG LEU 31 -3.763 0.465 9.299 222 HD11 LEU 31 HD11 LEU 31 -2.479 1.723 7.626 223 HD12 LEU 31 HD12 LEU 31 -4.217 1.928 7.420 224 HD13 LEU 31 HD13 LEU 31 -3.261 3.210 8.160 225 HD21 LEU 31 HD21 LEU 31 -1.524 1.293 9.834 226 HD22 LEU 31 HD22 LEU 31 -2.228 2.774 10.482 227 HD23 LEU 31 HD23 LEU 31 -2.552 1.228 11.265 228 H THR 32 HN THR 32 -8.639 2.081 8.898 229 HA THR 32 HA THR 32 -9.638 2.235 11.598 230 HB THR 32 HB THR 32 -8.734 4.526 11.247 231 HG1 THR 32 HG1 THR 32 -11.548 4.738 11.267 232 HG21 THR 32 HG21 THR 32 -9.829 6.030 9.676 233 HG22 THR 32 HG22 THR 32 -10.854 4.714 9.104 234 HG23 THR 32 HG23 THR 32 -9.114 4.665 8.818 235 H GLU 33 HN GLU 33 -12.067 3.191 11.381 236 HA GLU 33 HA GLU 33 -13.280 1.931 9.017 237 HB2 GLU 33 HB2 GLU 33 -15.074 1.040 10.408 238 HB3 GLU 33 HB3 GLU 33 -13.516 0.436 10.951 239 HG2 GLU 33 HG2 GLU 33 -14.937 2.758 12.225 240 HG3 GLU 33 HG3 GLU 33 -15.101 1.089 12.766 241 H ALA 34 HN ALA 34 -15.609 2.621 8.732 242 HA ALA 34 HA ALA 34 -15.732 5.423 8.516 243 HB1 ALA 34 HB1 ALA 34 -16.963 3.916 7.031 244 HB2 ALA 34 HB2 ALA 34 -17.998 3.435 8.378 245 HB3 ALA 34 HB3 ALA 34 -18.034 5.095 7.786 246 HA PRO 35 HA PRO 35 -17.204 6.711 12.478 247 HB2 PRO 35 HB2 PRO 35 -18.694 8.882 11.812 248 HB3 PRO 35 HB3 PRO 35 -16.928 8.879 11.773 249 HG2 PRO 35 HG2 PRO 35 -18.876 8.525 9.526 250 HG3 PRO 35 HG3 PRO 35 -17.392 9.496 9.577 251 HD2 PRO 35 HD2 PRO 35 -17.485 7.065 8.404 252 HD3 PRO 35 HD3 PRO 35 -16.032 7.666 9.224 Start of MODEL 11 1 H1 GLU 1 H1 GLU 1 -6.131 8.544 -6.885 2 H2 GLU 1 H2 GLU 1 -6.300 7.241 -7.949 3 H3 GLU 1 H3 GLU 1 -7.306 8.591 -8.100 4 HA GLU 1 HA GLU 1 -5.586 8.572 -9.795 5 HB2 GLU 1 HB2 GLU 1 -5.365 10.747 -7.706 6 HB3 GLU 1 HB3 GLU 1 -4.700 10.865 -9.329 7 HG2 GLU 1 HG2 GLU 1 -7.611 10.512 -8.651 8 HG3 GLU 1 HG3 GLU 1 -6.838 12.027 -9.118 9 H HIS 2 HN HIS 2 -3.522 8.185 -10.375 10 HA HIS 2 HA HIS 2 -1.486 8.006 -8.264 11 HB2 HIS 2 HB2 HIS 2 -1.967 5.936 -10.418 12 HB3 HIS 2 HB3 HIS 2 -0.613 5.933 -9.294 13 HD1 HIS 2 HD1 HIS 2 -3.964 4.655 -9.700 14 HD2 HIS 2 HD2 HIS 2 -1.536 5.684 -6.490 15 HE1 HIS 2 HE1 HIS 2 -4.982 3.523 -7.699 16 HE2 HIS 2 HE2 HIS 2 -3.448 4.093 -5.783 17 H LYS 3 HN LYS 3 -0.252 9.709 -8.832 18 HA LYS 3 HA LYS 3 0.678 9.853 -11.624 19 HB2 LYS 3 HB2 LYS 3 0.239 11.996 -9.557 20 HB3 LYS 3 HB3 LYS 3 1.291 12.264 -10.939 21 HG2 LYS 3 HG2 LYS 3 -0.808 13.161 -11.513 22 HG3 LYS 3 HG3 LYS 3 -0.660 11.647 -12.405 23 HD2 LYS 3 HD2 LYS 3 -2.035 10.524 -10.713 24 HD3 LYS 3 HD3 LYS 3 -2.185 12.044 -9.829 25 HE2 LYS 3 HE2 LYS 3 -3.180 11.485 -12.622 26 HE3 LYS 3 HE3 LYS 3 -4.169 11.640 -11.171 27 HZ1 LYS 3 HZ1 LYS 3 -3.491 13.936 -10.974 28 HZ2 LYS 3 HZ2 LYS 3 -4.160 13.670 -12.505 29 HZ3 LYS 3 HZ3 LYS 3 -2.483 13.796 -12.326 30 H HIS 4 HN HIS 4 1.602 8.827 -8.660 31 HA HIS 4 HA HIS 4 3.583 8.282 -7.692 32 HB2 HIS 4 HB2 HIS 4 4.677 8.824 -10.461 33 HB3 HIS 4 HB3 HIS 4 5.547 8.006 -9.169 34 HD1 HIS 4 HD1 HIS 4 2.981 7.471 -11.785 35 HD2 HIS 4 HD2 HIS 4 4.609 5.384 -8.581 36 HE1 HIS 4 HE1 HIS 4 2.253 5.084 -12.098 37 HE2 HIS 4 HE2 HIS 4 3.311 3.827 -10.187 38 H SER 5 HN SER 5 5.996 9.155 -7.473 39 HA SER 5 HA SER 5 6.262 12.001 -7.790 40 HB2 SER 5 HB2 SER 5 4.846 11.969 -5.807 41 HB3 SER 5 HB3 SER 5 5.936 10.831 -5.016 42 HG SER 5 HG SER 5 6.085 13.517 -5.148 43 H ASP 6 HN ASP 6 7.447 8.901 -6.954 44 HA ASP 6 HA ASP 6 9.530 8.009 -6.797 45 HB2 ASP 6 HB2 ASP 6 9.867 9.128 -8.963 46 HB3 ASP 6 HB3 ASP 6 10.377 10.592 -8.128 47 H GLU 7 HN GLU 7 10.009 7.832 -4.695 48 HA GLU 7 HA GLU 7 11.836 9.722 -3.534 49 HB2 GLU 7 HB2 GLU 7 10.400 10.030 -1.461 50 HB3 GLU 7 HB3 GLU 7 9.904 10.926 -2.888 51 HG2 GLU 7 HG2 GLU 7 8.186 9.250 -3.346 52 HG3 GLU 7 HG3 GLU 7 8.686 8.351 -1.915 53 H SER 8 HN SER 8 9.560 7.149 -2.595 54 HA SER 8 HA SER 8 11.782 5.789 -1.222 55 HB2 SER 8 HB2 SER 8 10.018 4.604 0.063 56 HB3 SER 8 HB3 SER 8 9.932 6.353 0.276 57 HG SER 8 HG SER 8 8.347 6.174 -1.573 58 H THR 9 HN THR 9 10.089 5.807 -4.013 59 HA THR 9 HA THR 9 9.673 4.360 -5.701 60 HB THR 9 HB THR 9 11.364 2.804 -6.235 61 HG1 THR 9 HG1 THR 9 12.921 2.602 -4.139 62 HG21 THR 9 HG21 THR 9 13.446 4.032 -5.815 63 HG22 THR 9 HG22 THR 9 12.628 4.983 -4.574 64 HG23 THR 9 HG23 THR 9 12.131 5.121 -6.262 65 H SER 10 HN SER 10 8.395 3.850 -2.995 66 HA SER 10 HA SER 10 7.031 1.458 -3.746 67 HB2 SER 10 HB2 SER 10 9.108 0.518 -2.716 68 HB3 SER 10 HB3 SER 10 8.668 1.316 -1.205 69 HG SER 10 HG SER 10 7.658 -0.963 -2.350 70 H GLU 11 HN GLU 11 7.163 4.372 -2.317 71 HA GLU 11 HA GLU 11 5.729 5.618 -1.078 72 HB2 GLU 11 HB2 GLU 11 3.867 3.318 -1.653 73 HB3 GLU 11 HB3 GLU 11 3.366 4.829 -0.905 74 HG2 GLU 11 HG2 GLU 11 4.019 6.052 -2.897 75 HG3 GLU 11 HG3 GLU 11 4.586 4.558 -3.644 76 H SEP 12 HN SER 12 4.322 2.627 0.029 77 HA SEP 12 HA SER 12 5.146 3.280 2.751 78 HB2 SEP 12 HB2 SER 12 2.746 2.929 2.390 79 HB3 SEP 12 HB3 SER 12 3.076 1.308 1.777 80 H PHE 13 HN PHE 13 4.566 0.241 1.087 81 HA PHE 13 HA PHE 13 7.193 -0.755 1.277 82 HB2 PHE 13 HB2 PHE 13 6.594 -0.755 3.714 83 HB3 PHE 13 HB3 PHE 13 5.305 -1.897 3.344 84 HD1 PHE 13 HD2 PHE 13 8.952 -1.425 3.454 85 HD2 PHE 13 HD1 PHE 13 5.759 -4.196 2.972 86 HE1 PHE 13 HE2 PHE 13 10.538 -3.290 3.701 87 HE2 PHE 13 HE1 PHE 13 7.339 -6.066 3.218 88 HZ PHE 13 HZ PHE 13 9.732 -5.613 3.585 89 H GLU 14 HN GLU 14 7.105 -1.836 -0.589 90 HA GLU 14 HA GLU 14 4.736 -3.243 -1.399 91 HB2 GLU 14 HB2 GLU 14 6.114 -2.009 -3.028 92 HB3 GLU 14 HB3 GLU 14 7.450 -3.107 -2.715 93 HG2 GLU 14 HG2 GLU 14 6.131 -4.969 -3.573 94 HG3 GLU 14 HG3 GLU 14 4.778 -3.879 -3.867 95 H SER 15 HN SER 15 4.685 -4.739 0.396 96 HA SER 15 HA SER 15 6.729 -6.659 0.831 97 HB2 SER 15 HB2 SER 15 4.902 -6.004 2.461 98 HB3 SER 15 HB3 SER 15 3.794 -6.977 1.492 99 HG SER 15 HG SER 15 4.490 -8.413 2.928 100 H ILE 16 HN ILE 16 4.972 -9.021 0.883 101 HA ILE 16 HA ILE 16 5.653 -10.249 -1.487 102 HB ILE 16 HB ILE 16 3.251 -10.872 0.242 103 HG12 ILE 16 HG12 ILE 16 6.004 -12.124 0.285 104 HG13 ILE 16 HG13 ILE 16 5.494 -10.854 1.392 105 HG21 ILE 16 HG21 ILE 16 3.435 -13.140 -0.700 106 HG22 ILE 16 HG22 ILE 16 3.054 -11.932 -1.926 107 HG23 ILE 16 HG23 ILE 16 4.694 -12.568 -1.792 108 HD11 ILE 16 HD11 ILE 16 3.734 -12.312 2.248 109 HD12 ILE 16 HD12 ILE 16 4.255 -13.584 1.143 110 HD13 ILE 16 HD13 ILE 16 5.332 -13.038 2.428 111 H ALA 17 HN ALA 17 2.466 -8.904 -0.641 112 HA ALA 17 HA ALA 17 0.724 -8.178 -1.899 113 HB1 ALA 17 HB1 ALA 17 1.255 -6.925 -3.922 114 HB2 ALA 17 HB2 ALA 17 2.353 -6.516 -2.604 115 HB3 ALA 17 HB3 ALA 17 2.893 -7.579 -3.903 116 H ASP 18 HN ASP 18 0.223 -8.249 -4.649 117 HA ASP 18 HA ASP 18 -0.656 -9.593 -6.255 118 HB2 ASP 18 HB2 ASP 18 1.457 -11.564 -5.352 119 HB3 ASP 18 HB3 ASP 18 0.542 -11.651 -6.854 120 H ASN 19 HN ASN 19 -0.984 -10.041 -3.142 121 HA ASN 19 HA ASN 19 -3.355 -11.468 -3.190 122 HB2 ASN 19 HB2 ASN 19 -2.745 -13.578 -2.227 123 HB3 ASN 19 HB3 ASN 19 -1.792 -13.369 -3.688 124 HD21 ASN 19 HD21 ASN 19 0.408 -13.081 -3.538 125 HD22 ASN 19 HD22 ASN 19 1.289 -13.353 -2.078 126 H ASN 20 HN ASN 20 -0.980 -9.660 -1.838 127 HA ASN 20 HA ASN 20 -2.129 -9.811 0.866 128 HB2 ASN 20 HB2 ASN 20 0.219 -10.445 0.862 129 HB3 ASN 20 HB3 ASN 20 0.644 -8.978 -0.010 130 HD21 ASN 20 HD21 ASN 20 -1.768 -8.867 2.446 131 HD22 ASN 20 HD22 ASN 20 -0.823 -8.054 3.640 132 H ASP 21 HN ASP 21 -0.727 -7.593 -1.527 133 HA ASP 21 HA ASP 21 -1.376 -5.197 -0.218 134 HB2 ASP 21 HB2 ASP 21 -0.921 -4.103 -2.314 135 HB3 ASP 21 HB3 ASP 21 0.222 -5.432 -2.133 136 H ASP 22 HN ASP 22 -3.392 -7.468 -1.708 137 HA ASP 22 HA ASP 22 -5.412 -5.789 -2.749 138 HB2 ASP 22 HB2 ASP 22 -6.636 -7.752 -3.086 139 HB3 ASP 22 HB3 ASP 22 -4.962 -8.300 -3.140 140 H SER 23 HN SER 23 -4.439 -5.759 0.318 141 HA SER 23 HA SER 23 -6.870 -4.666 1.303 142 HB2 SER 23 HB2 SER 23 -7.427 -7.086 1.438 143 HB3 SER 23 HB3 SER 23 -6.046 -7.317 2.509 144 HG SER 23 HG SER 23 -8.463 -5.966 2.984 145 H TYR 24 HN TYR 24 -3.666 -5.919 1.920 146 HA TYR 24 HA TYR 24 -3.391 -4.527 4.431 147 HB2 TYR 24 HB2 TYR 24 -2.133 -6.426 4.542 148 HB3 TYR 24 HB3 TYR 24 -1.765 -6.414 2.824 149 HD1 TYR 24 HD1 TYR 24 -0.958 -4.535 5.955 150 HD2 TYR 24 HD2 TYR 24 0.372 -5.889 2.148 151 HE1 TYR 24 HE1 TYR 24 1.298 -3.687 6.446 152 HE2 TYR 24 HE2 TYR 24 2.629 -5.050 2.626 153 HH TYR 24 HH TYR 24 3.618 -4.097 5.727 154 H PHE 25 HN PHE 25 -2.307 -4.089 1.095 155 HA PHE 25 HA PHE 25 -0.823 -1.690 1.823 156 HB2 PHE 25 HB2 PHE 25 0.049 -3.304 0.121 157 HB3 PHE 25 HB3 PHE 25 -1.288 -2.856 -0.928 158 HD1 PHE 25 HD1 PHE 25 1.809 -1.671 0.659 159 HD2 PHE 25 HD2 PHE 25 -1.269 -0.818 -2.154 160 HE1 PHE 25 HE1 PHE 25 3.142 0.199 -0.228 161 HE2 PHE 25 HE2 PHE 25 0.058 1.052 -3.046 162 HZ PHE 25 HZ PHE 25 2.267 1.563 -2.083 163 H GLN 26 HN GLN 26 -3.598 -2.595 -0.189 164 HA GLN 26 HA GLN 26 -4.243 0.096 -0.867 165 HB2 GLN 26 HB2 GLN 26 -5.860 -2.449 -1.066 166 HB3 GLN 26 HB3 GLN 26 -6.358 -0.903 -1.737 167 HG2 GLN 26 HG2 GLN 26 -4.429 -0.897 -3.210 168 HG3 GLN 26 HG3 GLN 26 -3.873 -2.415 -2.509 169 HE21 GLN 26 HE21 GLN 26 -3.945 -3.488 -4.469 170 HE22 GLN 26 HE22 GLN 26 -5.429 -3.931 -5.232 171 H ARG 27 HN ARG 27 -5.630 -2.282 1.377 172 HA ARG 27 HA ARG 27 -6.949 -2.076 3.214 173 HB2 ARG 27 HB2 ARG 27 -5.851 0.740 3.226 174 HB3 ARG 27 HB3 ARG 27 -6.746 0.004 4.548 175 HG2 ARG 27 HG2 ARG 27 -4.991 -1.693 4.780 176 HG3 ARG 27 HG3 ARG 27 -4.088 -0.918 3.477 177 HD2 ARG 27 HD2 ARG 27 -3.917 1.125 4.791 178 HD3 ARG 27 HD3 ARG 27 -4.869 0.393 6.080 179 HE ARG 27 HE ARG 27 -2.685 -1.262 5.651 180 HH11 ARG 27 HH12 ARG 27 -3.287 2.015 6.671 181 HH12 ARG 27 HH11 ARG 27 -1.877 2.101 7.673 182 HH21 ARG 27 HH22 ARG 27 -0.824 -1.159 6.971 183 HH22 ARG 27 HH21 ARG 27 -0.478 0.297 7.844 184 H LYS 28 HN LYS 28 -8.965 -2.345 2.368 185 HA LYS 28 HA LYS 28 -10.482 0.120 1.830 186 HB2 LYS 28 HB2 LYS 28 -10.314 -2.396 0.255 187 HB3 LYS 28 HB3 LYS 28 -11.894 -1.634 0.381 188 HG2 LYS 28 HG2 LYS 28 -10.922 -0.819 -1.599 189 HG3 LYS 28 HG3 LYS 28 -10.793 0.490 -0.422 190 HD2 LYS 28 HD2 LYS 28 -8.474 -0.097 0.005 191 HD3 LYS 28 HD3 LYS 28 -8.598 -1.461 -1.108 192 HE2 LYS 28 HE2 LYS 28 -8.935 1.447 -1.839 193 HE3 LYS 28 HE3 LYS 28 -7.495 0.477 -2.139 194 HZ1 LYS 28 HZ1 LYS 28 -8.904 0.648 -4.102 195 HZ2 LYS 28 HZ2 LYS 28 -10.189 -0.066 -3.266 196 HZ3 LYS 28 HZ3 LYS 28 -8.785 -0.956 -3.577 197 HA PRO 29 HA PRO 29 -12.429 -2.204 5.349 198 HB2 PRO 29 HB2 PRO 29 -12.906 0.509 6.370 199 HB3 PRO 29 HB3 PRO 29 -12.110 -0.859 7.153 200 HG2 PRO 29 HG2 PRO 29 -10.731 1.294 6.326 201 HG3 PRO 29 HG3 PRO 29 -10.046 -0.342 6.261 202 HD2 PRO 29 HD2 PRO 29 -11.249 1.295 4.056 203 HD3 PRO 29 HD3 PRO 29 -9.784 0.287 4.040 204 H LYS 30 HN LYS 30 -13.425 0.227 3.137 205 HA LYS 30 HA LYS 30 -16.186 0.240 3.993 206 HB2 LYS 30 HB2 LYS 30 -16.485 1.632 1.885 207 HB3 LYS 30 HB3 LYS 30 -15.443 2.310 3.129 208 HG2 LYS 30 HG2 LYS 30 -13.524 1.972 1.901 209 HG3 LYS 30 HG3 LYS 30 -14.249 0.691 0.926 210 HD2 LYS 30 HD2 LYS 30 -15.541 2.261 -0.311 211 HD3 LYS 30 HD3 LYS 30 -15.106 3.574 0.785 212 HE2 LYS 30 HE2 LYS 30 -13.850 3.681 -1.323 213 HE3 LYS 30 HE3 LYS 30 -12.792 3.440 0.066 214 HZ1 LYS 30 HZ1 LYS 30 -13.707 1.312 -1.795 215 HZ2 LYS 30 HZ2 LYS 30 -12.684 1.087 -0.467 216 HZ3 LYS 30 HZ3 LYS 30 -12.169 2.016 -1.782 217 H LEU 31 HN LEU 31 -14.348 -1.881 2.374 218 HA LEU 31 HA LEU 31 -14.712 -3.659 1.012 219 HB2 LEU 31 HB2 LEU 31 -17.563 -3.216 1.894 220 HB3 LEU 31 HB3 LEU 31 -17.004 -4.633 1.027 221 HG LEU 31 HG LEU 31 -16.160 -3.788 3.800 222 HD11 LEU 31 HD11 LEU 31 -18.396 -4.734 3.715 223 HD12 LEU 31 HD12 LEU 31 -17.789 -6.127 2.821 224 HD13 LEU 31 HD13 LEU 31 -17.275 -5.856 4.486 225 HD21 LEU 31 HD21 LEU 31 -14.969 -5.972 3.825 226 HD22 LEU 31 HD22 LEU 31 -15.270 -6.107 2.092 227 HD23 LEU 31 HD23 LEU 31 -14.271 -4.793 2.715 228 H THR 32 HN THR 32 -17.899 -2.337 0.279 229 HA THR 32 HA THR 32 -17.018 -1.185 -2.218 230 HB THR 32 HB THR 32 -17.105 -3.488 -2.920 231 HG1 THR 32 HG1 THR 32 -18.704 -1.577 -3.910 232 HG21 THR 32 HG21 THR 32 -18.541 -4.376 -1.150 233 HG22 THR 32 HG22 THR 32 -19.152 -4.828 -2.741 234 HG23 THR 32 HG23 THR 32 -19.925 -3.527 -1.837 235 H GLU 33 HN GLU 33 -18.382 0.347 -2.943 236 HA GLU 33 HA GLU 33 -20.052 1.887 -2.886 237 HB2 GLU 33 HB2 GLU 33 -21.742 -0.580 -2.440 238 HB3 GLU 33 HB3 GLU 33 -22.345 0.991 -2.952 239 HG2 GLU 33 HG2 GLU 33 -20.457 -0.782 -4.484 240 HG3 GLU 33 HG3 GLU 33 -22.162 -0.508 -4.837 241 H ALA 34 HN ALA 34 -19.472 3.012 -1.027 242 HA ALA 34 HA ALA 34 -21.408 3.099 1.027 243 HB1 ALA 34 HB1 ALA 34 -18.751 1.928 1.845 244 HB2 ALA 34 HB2 ALA 34 -20.063 2.383 2.933 245 HB3 ALA 34 HB3 ALA 34 -20.286 1.062 1.784 246 HA PRO 35 HA PRO 35 -19.582 7.135 1.245 247 HB2 PRO 35 HB2 PRO 35 -20.666 8.020 3.567 248 HB3 PRO 35 HB3 PRO 35 -21.601 7.860 2.075 249 HG2 PRO 35 HG2 PRO 35 -21.446 6.006 4.420 250 HG3 PRO 35 HG3 PRO 35 -22.868 6.525 3.497 251 HD2 PRO 35 HD2 PRO 35 -21.665 4.129 3.102 252 HD3 PRO 35 HD3 PRO 35 -22.467 5.024 1.794 Start of MODEL 12 1 H1 GLU 1 H1 GLU 1 16.738 8.408 -6.794 2 H2 GLU 1 H2 GLU 1 16.816 7.044 -7.789 3 H3 GLU 1 H3 GLU 1 15.464 7.297 -6.806 4 HA GLU 1 HA GLU 1 16.295 9.054 -9.039 5 HB2 GLU 1 HB2 GLU 1 14.014 7.073 -8.889 6 HB3 GLU 1 HB3 GLU 1 14.359 8.147 -10.238 7 HG2 GLU 1 HG2 GLU 1 16.493 7.010 -10.596 8 HG3 GLU 1 HG3 GLU 1 16.135 5.926 -9.252 9 H HIS 2 HN HIS 2 14.829 8.860 -6.076 10 HA HIS 2 HA HIS 2 13.457 11.379 -6.495 11 HB2 HIS 2 HB2 HIS 2 11.807 9.500 -7.005 12 HB3 HIS 2 HB3 HIS 2 11.908 9.082 -5.296 13 HD1 HIS 2 HD1 HIS 2 10.742 11.842 -7.580 14 HD2 HIS 2 HD2 HIS 2 10.418 10.671 -3.608 15 HE1 HIS 2 HE1 HIS 2 8.989 13.342 -6.578 16 HE2 HIS 2 HE2 HIS 2 8.889 12.685 -4.149 17 H LYS 3 HN LYS 3 15.139 9.165 -4.625 18 HA LYS 3 HA LYS 3 16.109 9.269 -2.578 19 HB2 LYS 3 HB2 LYS 3 16.467 11.672 -3.245 20 HB3 LYS 3 HB3 LYS 3 15.000 12.069 -2.361 21 HG2 LYS 3 HG2 LYS 3 16.888 12.551 -0.979 22 HG3 LYS 3 HG3 LYS 3 16.047 11.154 -0.309 23 HD2 LYS 3 HD2 LYS 3 17.693 9.682 -1.440 24 HD3 LYS 3 HD3 LYS 3 18.564 11.123 -1.974 25 HE2 LYS 3 HE2 LYS 3 18.072 10.265 0.876 26 HE3 LYS 3 HE3 LYS 3 19.608 10.209 0.012 27 HZ1 LYS 3 HZ1 LYS 3 19.475 12.136 1.463 28 HZ2 LYS 3 HZ2 LYS 3 18.083 12.673 0.665 29 HZ3 LYS 3 HZ3 LYS 3 19.560 12.619 -0.157 30 H HIS 4 HN HIS 4 12.838 9.433 -3.068 31 HA HIS 4 HA HIS 4 12.332 8.686 -0.285 32 HB2 HIS 4 HB2 HIS 4 10.724 10.700 -1.864 33 HB3 HIS 4 HB3 HIS 4 10.173 9.966 -0.361 34 HD1 HIS 4 HD1 HIS 4 12.206 12.708 -1.675 35 HD2 HIS 4 HD2 HIS 4 11.807 10.681 1.930 36 HE1 HIS 4 HE1 HIS 4 13.312 14.171 0.046 37 HE2 HIS 4 HE2 HIS 4 12.990 12.961 2.231 38 H SER 5 HN SER 5 10.901 8.930 -3.522 39 HA SER 5 HA SER 5 9.607 7.509 -4.737 40 HB2 SER 5 HB2 SER 5 11.526 5.999 -4.440 41 HB3 SER 5 HB3 SER 5 10.833 5.413 -2.928 42 HG SER 5 HG SER 5 10.431 4.384 -5.240 43 H ASP 6 HN ASP 6 8.719 8.576 -2.000 44 HA ASP 6 HA ASP 6 6.235 7.051 -1.930 45 HB2 ASP 6 HB2 ASP 6 7.943 7.605 0.506 46 HB3 ASP 6 HB3 ASP 6 6.289 7.002 0.563 47 H GLU 7 HN GLU 7 5.646 8.534 0.658 48 HA GLU 7 HA GLU 7 5.713 11.315 0.168 49 HB2 GLU 7 HB2 GLU 7 4.141 10.722 -1.656 50 HB3 GLU 7 HB3 GLU 7 3.079 9.964 -0.478 51 HG2 GLU 7 HG2 GLU 7 2.730 12.116 0.607 52 HG3 GLU 7 HG3 GLU 7 3.813 12.883 -0.552 53 H SER 8 HN SER 8 2.964 9.364 1.246 54 HA SER 8 HA SER 8 3.000 10.596 3.836 55 HB2 SER 8 HB2 SER 8 0.874 9.883 2.790 56 HB3 SER 8 HB3 SER 8 1.421 8.207 2.825 57 HG SER 8 HG SER 8 1.685 9.151 5.269 58 H THR 9 HN THR 9 3.965 7.593 2.357 59 HA THR 9 HA THR 9 6.105 6.970 3.909 60 HB THR 9 HB THR 9 4.683 6.845 5.862 61 HG1 THR 9 HG1 THR 9 6.376 5.353 5.822 62 HG21 THR 9 HG21 THR 9 3.167 4.687 4.395 63 HG22 THR 9 HG22 THR 9 2.564 6.306 4.749 64 HG23 THR 9 HG23 THR 9 2.902 5.182 6.066 65 H SER 10 HN SER 10 3.274 5.729 2.272 66 HA SER 10 HA SER 10 4.904 4.057 0.589 67 HB2 SER 10 HB2 SER 10 2.826 2.766 2.377 68 HB3 SER 10 HB3 SER 10 3.721 1.958 1.092 69 HG SER 10 HG SER 10 4.517 1.798 3.372 70 H GLU 11 HN GLU 11 2.118 5.800 1.324 71 HA GLU 11 HA GLU 11 0.257 6.395 0.169 72 HB2 GLU 11 HB2 GLU 11 2.037 5.594 -2.123 73 HB3 GLU 11 HB3 GLU 11 0.469 6.352 -2.346 74 HG2 GLU 11 HG2 GLU 11 2.765 7.561 -0.820 75 HG3 GLU 11 HG3 GLU 11 2.347 7.936 -2.492 76 H SEP 12 HN SER 12 0.627 4.285 -2.477 77 HA SEP 12 HA SER 12 -0.681 2.007 -1.372 78 HB2 SEP 12 HB2 SER 12 -2.789 2.272 -2.740 79 HB3 SEP 12 HB3 SER 12 -2.651 3.361 -1.360 80 H PHE 13 HN PHE 13 1.382 1.448 -2.514 81 HA PHE 13 HA PHE 13 0.732 0.249 -5.033 82 HB2 PHE 13 HB2 PHE 13 2.646 1.264 -6.277 83 HB3 PHE 13 HB3 PHE 13 1.352 2.400 -5.920 84 HD1 PHE 13 HD2 PHE 13 4.758 1.354 -4.993 85 HD2 PHE 13 HD1 PHE 13 1.735 4.320 -4.572 86 HE1 PHE 13 HE2 PHE 13 6.392 2.868 -3.950 87 HE2 PHE 13 HE1 PHE 13 3.366 5.837 -3.527 88 HZ PHE 13 HZ PHE 13 5.694 5.136 -3.246 89 H GLU 14 HN GLU 14 3.505 -0.123 -5.823 90 HA GLU 14 HA GLU 14 5.192 -1.603 -5.479 91 HB2 GLU 14 HB2 GLU 14 5.718 0.080 -3.692 92 HB3 GLU 14 HB3 GLU 14 4.837 -0.929 -2.554 93 HG2 GLU 14 HG2 GLU 14 6.412 -2.749 -2.943 94 HG3 GLU 14 HG3 GLU 14 7.290 -1.745 -4.094 95 H SER 15 HN SER 15 2.927 -2.854 -5.934 96 HA SER 15 HA SER 15 1.946 -4.582 -3.949 97 HB2 SER 15 HB2 SER 15 1.059 -5.915 -5.868 98 HB3 SER 15 HB3 SER 15 0.680 -4.195 -5.975 99 HG SER 15 HG SER 15 3.041 -4.738 -7.165 100 H ILE 16 HN ILE 16 2.274 -6.829 -3.648 101 HA ILE 16 HA ILE 16 5.002 -7.708 -4.326 102 HB ILE 16 HB ILE 16 3.233 -8.585 -2.036 103 HG12 ILE 16 HG12 ILE 16 5.806 -6.992 -1.991 104 HG13 ILE 16 HG13 ILE 16 4.198 -6.288 -1.838 105 HG21 ILE 16 HG21 ILE 16 5.259 -9.786 -1.254 106 HG22 ILE 16 HG22 ILE 16 4.601 -10.425 -2.760 107 HG23 ILE 16 HG23 ILE 16 6.035 -9.401 -2.791 108 HD11 ILE 16 HD11 ILE 16 5.419 -8.288 0.051 109 HD12 ILE 16 HD12 ILE 16 5.297 -6.550 0.324 110 HD13 ILE 16 HD13 ILE 16 3.834 -7.531 0.215 111 H ALA 17 HN ALA 17 1.654 -8.840 -3.964 112 HA ALA 17 HA ALA 17 2.079 -10.722 -6.137 113 HB1 ALA 17 HB1 ALA 17 2.682 -12.050 -4.205 114 HB2 ALA 17 HB2 ALA 17 1.163 -11.634 -3.411 115 HB3 ALA 17 HB3 ALA 17 1.153 -12.621 -4.875 116 H ASP 18 HN ASP 18 -0.556 -11.223 -3.938 117 HA ASP 18 HA ASP 18 -2.419 -9.381 -4.909 118 HB2 ASP 18 HB2 ASP 18 -3.769 -10.843 -6.396 119 HB3 ASP 18 HB3 ASP 18 -2.183 -10.468 -7.064 120 H ASN 19 HN ASN 19 -1.520 -11.068 -2.580 121 HA ASN 19 HA ASN 19 -4.204 -11.937 -1.750 122 HB2 ASN 19 HB2 ASN 19 -3.318 -13.854 -0.618 123 HB3 ASN 19 HB3 ASN 19 -2.693 -13.880 -2.264 124 HD21 ASN 19 HD21 ASN 19 -0.724 -11.822 -1.825 125 HD22 ASN 19 HD22 ASN 19 0.523 -12.524 -0.859 126 H ASN 20 HN ASN 20 -1.325 -10.215 -1.058 127 HA ASN 20 HA ASN 20 -2.292 -9.665 1.674 128 HB2 ASN 20 HB2 ASN 20 -0.122 -10.786 1.708 129 HB3 ASN 20 HB3 ASN 20 0.542 -9.569 0.622 130 HD21 ASN 20 HD21 ASN 20 0.454 -7.320 1.404 131 HD22 ASN 20 HD22 ASN 20 0.722 -7.032 3.084 132 H ASP 21 HN ASP 21 -0.164 -8.127 -0.738 133 HA ASP 21 HA ASP 21 -0.465 -5.512 0.059 134 HB2 ASP 21 HB2 ASP 21 0.235 -4.870 -2.190 135 HB3 ASP 21 HB3 ASP 21 1.160 -6.265 -1.644 136 H ASP 22 HN ASP 22 -2.559 -7.459 -1.983 137 HA ASP 22 HA ASP 22 -4.335 -5.251 -2.548 138 HB2 ASP 22 HB2 ASP 22 -4.345 -8.193 -3.181 139 HB3 ASP 22 HB3 ASP 22 -5.748 -7.181 -3.516 140 H SER 23 HN SER 23 -3.832 -5.969 0.249 141 HA SER 23 HA SER 23 -6.617 -6.364 1.043 142 HB2 SER 23 HB2 SER 23 -5.433 -8.567 1.186 143 HB3 SER 23 HB3 SER 23 -4.342 -7.849 2.370 144 HG SER 23 HG SER 23 -7.129 -8.282 2.595 145 H TYR 24 HN TYR 24 -3.316 -5.539 2.135 146 HA TYR 24 HA TYR 24 -4.565 -3.710 4.075 147 HB2 TYR 24 HB2 TYR 24 -3.137 -4.387 5.666 148 HB3 TYR 24 HB3 TYR 24 -2.886 -5.785 4.637 149 HD1 TYR 24 HD2 TYR 24 -0.927 -5.727 3.003 150 HD2 TYR 24 HD1 TYR 24 -1.356 -2.950 6.198 151 HE1 TYR 24 HE2 TYR 24 1.467 -5.191 2.850 152 HE2 TYR 24 HE1 TYR 24 1.038 -2.408 6.054 153 HH TYR 24 HH TYR 24 2.982 -3.341 3.439 154 H PHE 25 HN PHE 25 -2.797 -3.767 1.218 155 HA PHE 25 HA PHE 25 -1.309 -1.330 1.824 156 HB2 PHE 25 HB2 PHE 25 -0.786 -3.513 0.178 157 HB3 PHE 25 HB3 PHE 25 -1.165 -2.207 -0.939 158 HD1 PHE 25 HD2 PHE 25 0.022 0.083 -0.380 159 HD2 PHE 25 HD1 PHE 25 1.387 -3.744 0.886 160 HE1 PHE 25 HE2 PHE 25 2.292 0.990 -0.097 161 HE2 PHE 25 HE1 PHE 25 3.660 -2.844 1.171 162 HZ PHE 25 HZ PHE 25 4.120 -0.487 0.676 163 H GLN 26 HN GLN 26 -4.051 -2.411 -0.093 164 HA GLN 26 HA GLN 26 -4.661 0.413 -0.628 165 HB2 GLN 26 HB2 GLN 26 -5.521 -0.264 -2.879 166 HB3 GLN 26 HB3 GLN 26 -3.776 -0.369 -2.696 167 HG2 GLN 26 HG2 GLN 26 -3.991 -2.792 -2.326 168 HG3 GLN 26 HG3 GLN 26 -5.727 -2.657 -2.594 169 HE21 GLN 26 HE21 GLN 26 -3.368 -0.781 -4.342 170 HE22 GLN 26 HE22 GLN 26 -3.598 -1.549 -5.873 171 H ARG 27 HN ARG 27 -5.728 -2.647 0.408 172 HA ARG 27 HA ARG 27 -8.544 -1.969 0.036 173 HB2 ARG 27 HB2 ARG 27 -7.111 -4.475 0.861 174 HB3 ARG 27 HB3 ARG 27 -8.839 -4.292 1.131 175 HG2 ARG 27 HG2 ARG 27 -7.507 -4.033 -1.556 176 HG3 ARG 27 HG3 ARG 27 -8.258 -5.511 -0.948 177 HD2 ARG 27 HD2 ARG 27 -10.396 -4.334 -0.749 178 HD3 ARG 27 HD3 ARG 27 -9.645 -2.864 -1.366 179 HE ARG 27 HE ARG 27 -9.180 -4.803 -3.267 180 HH11 ARG 27 HH12 ARG 27 -11.970 -3.338 -1.775 181 HH12 ARG 27 HH11 ARG 27 -12.980 -3.538 -3.166 182 HH21 ARG 27 HH22 ARG 27 -10.502 -5.070 -5.105 183 HH22 ARG 27 HH21 ARG 27 -12.145 -4.524 -5.061 184 H LYS 28 HN LYS 28 -8.122 -0.137 1.555 185 HA LYS 28 HA LYS 28 -8.497 -1.042 4.334 186 HB2 LYS 28 HB2 LYS 28 -7.129 1.483 3.394 187 HB3 LYS 28 HB3 LYS 28 -7.398 1.031 5.075 188 HG2 LYS 28 HG2 LYS 28 -5.243 0.349 4.820 189 HG3 LYS 28 HG3 LYS 28 -6.074 -1.128 4.323 190 HD2 LYS 28 HD2 LYS 28 -4.553 -0.841 2.607 191 HD3 LYS 28 HD3 LYS 28 -5.994 -0.049 1.961 192 HE2 LYS 28 HE2 LYS 28 -3.973 1.289 1.588 193 HE3 LYS 28 HE3 LYS 28 -5.138 2.118 2.620 194 HZ1 LYS 28 HZ1 LYS 28 -3.848 1.456 4.551 195 HZ2 LYS 28 HZ2 LYS 28 -2.890 2.336 3.469 196 HZ3 LYS 28 HZ3 LYS 28 -2.732 0.654 3.563 197 HA PRO 29 HA PRO 29 -12.239 1.382 3.067 198 HB2 PRO 29 HB2 PRO 29 -13.756 -0.688 4.434 199 HB3 PRO 29 HB3 PRO 29 -13.830 -0.196 2.741 200 HG2 PRO 29 HG2 PRO 29 -12.838 -2.595 3.548 201 HG3 PRO 29 HG3 PRO 29 -12.291 -1.760 2.083 202 HD2 PRO 29 HD2 PRO 29 -10.994 -1.906 4.778 203 HD3 PRO 29 HD3 PRO 29 -10.256 -1.990 3.165 204 H LYS 30 HN LYS 30 -11.044 0.024 6.014 205 HA LYS 30 HA LYS 30 -12.666 1.915 7.586 206 HB2 LYS 30 HB2 LYS 30 -12.267 0.470 9.512 207 HB3 LYS 30 HB3 LYS 30 -12.998 -0.441 8.198 208 HG2 LYS 30 HG2 LYS 30 -10.799 -1.341 7.606 209 HG3 LYS 30 HG3 LYS 30 -10.078 -0.437 8.940 210 HD2 LYS 30 HD2 LYS 30 -11.541 -1.672 10.512 211 HD3 LYS 30 HD3 LYS 30 -12.148 -2.622 9.153 212 HE2 LYS 30 HE2 LYS 30 -9.271 -2.485 10.053 213 HE3 LYS 30 HE3 LYS 30 -10.389 -3.802 10.402 214 HZ1 LYS 30 HZ1 LYS 30 -8.801 -4.061 8.440 215 HZ2 LYS 30 HZ2 LYS 30 -9.822 -2.987 7.621 216 HZ3 LYS 30 HZ3 LYS 30 -10.426 -4.461 8.190 217 H LEU 31 HN LEU 31 -11.314 2.200 9.848 218 HA LEU 31 HA LEU 31 -8.912 3.618 9.002 219 HB2 LEU 31 HB2 LEU 31 -10.431 3.630 11.610 220 HB3 LEU 31 HB3 LEU 31 -8.994 4.585 11.300 221 HG LEU 31 HG LEU 31 -11.600 4.847 9.794 222 HD11 LEU 31 HD11 LEU 31 -10.390 6.556 11.960 223 HD12 LEU 31 HD12 LEU 31 -11.798 6.991 10.990 224 HD13 LEU 31 HD13 LEU 31 -11.867 5.599 12.071 225 HD21 LEU 31 HD21 LEU 31 -10.580 6.899 8.901 226 HD22 LEU 31 HD22 LEU 31 -9.071 6.489 9.717 227 HD23 LEU 31 HD23 LEU 31 -9.688 5.454 8.429 228 H THR 32 HN THR 32 -7.229 3.661 10.991 229 HA THR 32 HA THR 32 -6.087 1.047 11.001 230 HB THR 32 HB THR 32 -5.235 3.478 12.587 231 HG1 THR 32 HG1 THR 32 -3.685 3.612 10.790 232 HG21 THR 32 HG21 THR 32 -3.726 0.973 11.829 233 HG22 THR 32 HG22 THR 32 -4.280 1.399 13.447 234 HG23 THR 32 HG23 THR 32 -3.043 2.374 12.652 235 H GLU 33 HN GLU 33 -6.468 3.071 13.887 236 HA GLU 33 HA GLU 33 -7.070 2.593 16.023 237 HB2 GLU 33 HB2 GLU 33 -8.885 0.579 14.683 238 HB3 GLU 33 HB3 GLU 33 -9.016 1.116 16.352 239 HG2 GLU 33 HG2 GLU 33 -9.357 2.831 13.900 240 HG3 GLU 33 HG3 GLU 33 -10.642 2.235 14.949 241 H ALA 34 HN ALA 34 -7.629 -0.712 14.929 242 HA ALA 34 HA ALA 34 -5.086 -1.693 15.810 243 HB1 ALA 34 HB1 ALA 34 -5.876 -3.025 17.686 244 HB2 ALA 34 HB2 ALA 34 -6.156 -1.309 17.982 245 HB3 ALA 34 HB3 ALA 34 -7.495 -2.351 17.502 246 HA PRO 35 HA PRO 35 -7.141 -4.403 12.729 247 HB2 PRO 35 HB2 PRO 35 -4.885 -5.089 11.409 248 HB3 PRO 35 HB3 PRO 35 -5.731 -3.566 11.111 249 HG2 PRO 35 HG2 PRO 35 -3.310 -4.087 12.792 250 HG3 PRO 35 HG3 PRO 35 -3.613 -2.764 11.651 251 HD2 PRO 35 HD2 PRO 35 -3.895 -2.483 14.337 252 HD3 PRO 35 HD3 PRO 35 -4.878 -1.579 13.167 Start of MODEL 13 1 H1 GLU 1 H1 GLU 1 10.929 -0.685 15.684 2 H2 GLU 1 H2 GLU 1 12.607 -0.575 15.498 3 H3 GLU 1 H3 GLU 1 11.581 0.069 14.316 4 HA GLU 1 HA GLU 1 10.769 1.723 15.828 5 HB2 GLU 1 HB2 GLU 1 11.757 1.949 18.063 6 HB3 GLU 1 HB3 GLU 1 10.945 0.400 17.881 7 HG2 GLU 1 HG2 GLU 1 13.091 -0.693 17.520 8 HG3 GLU 1 HG3 GLU 1 13.912 0.858 17.676 9 H HIS 2 HN HIS 2 13.695 0.551 14.641 10 HA HIS 2 HA HIS 2 15.181 3.010 15.067 11 HB2 HIS 2 HB2 HIS 2 16.326 0.817 15.186 12 HB3 HIS 2 HB3 HIS 2 15.942 0.543 13.489 13 HD1 HIS 2 HD1 HIS 2 17.822 1.075 11.985 14 HD2 HIS 2 HD2 HIS 2 17.888 3.416 15.417 15 HE1 HIS 2 HE1 HIS 2 19.880 2.507 11.784 16 HE2 HIS 2 HE2 HIS 2 19.902 3.914 13.873 17 H LYS 3 HN LYS 3 14.492 1.082 12.143 18 HA LYS 3 HA LYS 3 14.752 3.424 10.481 19 HB2 LYS 3 HB2 LYS 3 13.958 0.590 9.786 20 HB3 LYS 3 HB3 LYS 3 14.286 1.865 8.619 21 HG2 LYS 3 HG2 LYS 3 16.593 2.007 9.434 22 HG3 LYS 3 HG3 LYS 3 16.259 0.708 10.580 23 HD2 LYS 3 HD2 LYS 3 15.942 0.430 7.594 24 HD3 LYS 3 HD3 LYS 3 17.411 -0.011 8.467 25 HE2 LYS 3 HE2 LYS 3 14.663 -1.166 8.938 26 HE3 LYS 3 HE3 LYS 3 15.974 -1.954 8.061 27 HZ1 LYS 3 HZ1 LYS 3 15.819 -2.739 10.344 28 HZ2 LYS 3 HZ2 LYS 3 16.051 -1.167 10.922 29 HZ3 LYS 3 HZ3 LYS 3 17.291 -1.948 10.078 30 H HIS 4 HN HIS 4 13.173 4.753 9.909 31 HA HIS 4 HA HIS 4 10.398 3.948 10.428 32 HB2 HIS 4 HB2 HIS 4 11.596 6.697 10.022 33 HB3 HIS 4 HB3 HIS 4 9.893 6.373 10.330 34 HD1 HIS 4 HD1 HIS 4 9.220 5.751 12.735 35 HD2 HIS 4 HD2 HIS 4 13.285 6.462 12.251 36 HE1 HIS 4 HE1 HIS 4 10.150 5.945 15.063 37 HE2 HIS 4 HE2 HIS 4 12.627 6.282 14.745 38 H SER 5 HN SER 5 12.586 5.054 7.943 39 HA SER 5 HA SER 5 12.436 5.154 5.682 40 HB2 SER 5 HB2 SER 5 10.025 3.370 6.093 41 HB3 SER 5 HB3 SER 5 10.845 3.645 4.556 42 HG SER 5 HG SER 5 12.668 2.927 6.348 43 H ASP 6 HN ASP 6 12.005 7.178 5.063 44 HA ASP 6 HA ASP 6 9.186 7.925 4.736 45 HB2 ASP 6 HB2 ASP 6 10.072 9.012 6.790 46 HB3 ASP 6 HB3 ASP 6 11.312 9.790 5.811 47 H GLU 7 HN GLU 7 9.061 7.861 2.568 48 HA GLU 7 HA GLU 7 10.400 9.883 1.049 49 HB2 GLU 7 HB2 GLU 7 12.177 8.206 1.077 50 HB3 GLU 7 HB3 GLU 7 11.059 6.985 0.486 51 HG2 GLU 7 HG2 GLU 7 10.799 8.233 -1.598 52 HG3 GLU 7 HG3 GLU 7 11.928 9.451 -1.005 53 H SER 8 HN SER 8 9.175 6.679 0.118 54 HA SER 8 HA SER 8 7.163 8.004 -1.550 55 HB2 SER 8 HB2 SER 8 8.658 6.371 -2.654 56 HB3 SER 8 HB3 SER 8 8.080 5.117 -1.559 57 HG SER 8 HG SER 8 6.167 6.547 -2.991 58 H THR 9 HN THR 9 7.382 6.883 1.476 59 HA THR 9 HA THR 9 5.977 6.056 3.057 60 HB THR 9 HB THR 9 3.758 6.947 3.075 61 HG1 THR 9 HG1 THR 9 2.662 7.194 1.283 62 HG21 THR 9 HG21 THR 9 4.183 9.321 2.626 63 HG22 THR 9 HG22 THR 9 5.621 8.885 1.702 64 HG23 THR 9 HG23 THR 9 5.555 8.562 3.434 65 H SER 10 HN SER 10 6.486 4.352 0.623 66 HA SER 10 HA SER 10 4.683 2.248 1.319 67 HB2 SER 10 HB2 SER 10 3.202 3.501 -0.175 68 HB3 SER 10 HB3 SER 10 4.430 3.467 -1.441 69 HG SER 10 HG SER 10 2.691 1.496 -0.602 70 H GLU 11 HN GLU 11 7.517 3.432 0.064 71 HA GLU 11 HA GLU 11 9.430 2.486 -0.721 72 HB2 GLU 11 HB2 GLU 11 8.128 -0.103 0.141 73 HB3 GLU 11 HB3 GLU 11 9.834 0.118 -0.224 74 HG2 GLU 11 HG2 GLU 11 8.341 1.479 2.007 75 HG3 GLU 11 HG3 GLU 11 9.389 0.071 2.181 76 H SEP 12 HN SER 12 6.672 2.366 -2.271 77 HA SEP 12 HA SER 12 5.931 1.730 -4.326 78 HB2 SEP 12 HB2 SER 12 8.911 1.776 -4.855 79 HB3 SEP 12 HB3 SER 12 7.681 1.672 -6.115 80 H PHE 13 HN PHE 13 5.323 -0.303 -3.145 81 HA PHE 13 HA PHE 13 4.932 -2.536 -3.262 82 HB2 PHE 13 HB2 PHE 13 5.959 -1.911 -5.839 83 HB3 PHE 13 HB3 PHE 13 6.696 -3.424 -5.321 84 HD1 PHE 13 HD2 PHE 13 5.299 -5.369 -4.796 85 HD2 PHE 13 HD1 PHE 13 3.645 -1.786 -6.390 86 HE1 PHE 13 HE2 PHE 13 3.255 -6.591 -5.411 87 HE2 PHE 13 HE1 PHE 13 1.597 -3.002 -7.008 88 HZ PHE 13 HZ PHE 13 1.400 -5.408 -6.519 89 H GLU 14 HN GLU 14 5.701 -4.089 -1.999 90 HA GLU 14 HA GLU 14 8.410 -4.921 -1.971 91 HB2 GLU 14 HB2 GLU 14 8.137 -2.661 -0.571 92 HB3 GLU 14 HB3 GLU 14 7.629 -3.800 0.671 93 HG2 GLU 14 HG2 GLU 14 9.750 -5.049 0.260 94 HG3 GLU 14 HG3 GLU 14 10.250 -3.717 -0.780 95 H SER 15 HN SER 15 5.549 -5.823 -2.077 96 HA SER 15 HA SER 15 5.750 -7.881 0.024 97 HB2 SER 15 HB2 SER 15 3.325 -7.842 0.295 98 HB3 SER 15 HB3 SER 15 3.988 -6.236 0.596 99 HG SER 15 HG SER 15 2.548 -7.168 -1.641 100 H ILE 16 HN ILE 16 3.818 -9.576 -0.590 101 HA ILE 16 HA ILE 16 4.689 -10.684 -3.128 102 HB ILE 16 HB ILE 16 2.630 -11.931 -1.330 103 HG12 ILE 16 HG12 ILE 16 4.425 -11.369 0.176 104 HG13 ILE 16 HG13 ILE 16 4.520 -13.091 -0.171 105 HG21 ILE 16 HG21 ILE 16 4.722 -13.071 -3.177 106 HG22 ILE 16 HG22 ILE 16 3.591 -14.014 -2.206 107 HG23 ILE 16 HG23 ILE 16 2.990 -12.967 -3.492 108 HD11 ILE 16 HD11 ILE 16 6.723 -12.130 -0.159 109 HD12 ILE 16 HD12 ILE 16 6.308 -12.630 -1.800 110 HD13 ILE 16 HD13 ILE 16 6.240 -10.924 -1.353 111 H ALA 17 HN ALA 17 2.002 -8.982 -1.824 112 HA ALA 17 HA ALA 17 0.072 -8.194 -2.715 113 HB1 ALA 17 HB1 ALA 17 1.546 -7.491 -4.559 114 HB2 ALA 17 HB2 ALA 17 1.233 -9.026 -5.369 115 HB3 ALA 17 HB3 ALA 17 -0.085 -7.884 -5.104 116 H ASP 18 HN ASP 18 -1.893 -8.832 -4.011 117 HA ASP 18 HA ASP 18 -3.593 -10.264 -4.440 118 HB2 ASP 18 HB2 ASP 18 -1.952 -11.299 -6.012 119 HB3 ASP 18 HB3 ASP 18 -1.469 -12.397 -4.723 120 H ASN 19 HN ASN 19 -1.874 -10.223 -1.769 121 HA ASN 19 HA ASN 19 -3.806 -11.612 -0.230 122 HB2 ASN 19 HB2 ASN 19 -2.349 -13.322 0.716 123 HB3 ASN 19 HB3 ASN 19 -2.507 -13.535 -1.022 124 HD21 ASN 19 HD21 ASN 19 -0.401 -12.403 1.536 125 HD22 ASN 19 HD22 ASN 19 1.071 -12.545 0.644 126 H ASN 20 HN ASN 20 -1.597 -9.249 -0.614 127 HA ASN 20 HA ASN 20 -1.646 -8.611 2.220 128 HB2 ASN 20 HB2 ASN 20 0.418 -9.894 2.029 129 HB3 ASN 20 HB3 ASN 20 0.960 -8.862 0.709 130 HD21 ASN 20 HD21 ASN 20 1.629 -6.770 1.145 131 HD22 ASN 20 HD22 ASN 20 2.027 -6.244 2.741 132 H ASP 21 HN ASP 21 -0.580 -7.633 -1.022 133 HA ASP 21 HA ASP 21 -0.180 -4.918 -0.514 134 HB2 ASP 21 HB2 ASP 21 -0.366 -4.572 -2.891 135 HB3 ASP 21 HB3 ASP 21 0.453 -6.108 -2.630 136 H ASP 22 HN ASP 22 -3.091 -6.762 -1.048 137 HA ASP 22 HA ASP 22 -4.792 -4.482 -1.395 138 HB2 ASP 22 HB2 ASP 22 -5.231 -7.424 -0.981 139 HB3 ASP 22 HB3 ASP 22 -6.589 -6.300 -0.911 140 H SER 23 HN SER 23 -3.024 -5.095 1.109 141 HA SER 23 HA SER 23 -5.126 -4.500 3.084 142 HB2 SER 23 HB2 SER 23 -3.992 -6.753 3.339 143 HB3 SER 23 HB3 SER 23 -2.505 -5.874 3.690 144 HG SER 23 HG SER 23 -3.208 -5.723 5.651 145 H TYR 24 HN TYR 24 -1.829 -3.837 1.985 146 HA TYR 24 HA TYR 24 -1.863 -1.429 3.696 147 HB2 TYR 24 HB2 TYR 24 0.363 -1.676 4.234 148 HB3 TYR 24 HB3 TYR 24 -0.132 -3.360 4.126 149 HD1 TYR 24 HD1 TYR 24 0.272 -4.549 1.863 150 HD2 TYR 24 HD2 TYR 24 2.169 -0.909 2.980 151 HE1 TYR 24 HE1 TYR 24 2.025 -4.955 0.189 152 HE2 TYR 24 HE2 TYR 24 3.928 -1.305 1.308 153 HH TYR 24 HH TYR 24 3.667 -3.699 -1.102 154 H PHE 25 HN PHE 25 -1.170 -2.750 0.534 155 HA PHE 25 HA PHE 25 -0.075 -0.282 -0.492 156 HB2 PHE 25 HB2 PHE 25 0.411 -2.715 -1.272 157 HB3 PHE 25 HB3 PHE 25 -1.062 -2.537 -2.207 158 HD1 PHE 25 HD1 PHE 25 2.087 -0.657 -1.530 159 HD2 PHE 25 HD2 PHE 25 -0.856 -1.823 -4.373 160 HE1 PHE 25 HE1 PHE 25 3.355 0.480 -3.302 161 HE2 PHE 25 HE2 PHE 25 0.407 -0.688 -6.152 162 HZ PHE 25 HZ PHE 25 2.515 0.450 -5.630 163 H GLN 26 HN GLN 26 -3.139 -1.973 -0.494 164 HA GLN 26 HA GLN 26 -4.313 0.279 -1.960 165 HB2 GLN 26 HB2 GLN 26 -5.213 -2.600 -1.839 166 HB3 GLN 26 HB3 GLN 26 -6.139 -1.308 -2.587 167 HG2 GLN 26 HG2 GLN 26 -4.253 -0.904 -4.132 168 HG3 GLN 26 HG3 GLN 26 -3.422 -2.288 -3.425 169 HE21 GLN 26 HE21 GLN 26 -4.196 -4.364 -3.822 170 HE22 GLN 26 HE22 GLN 26 -5.299 -4.701 -5.107 171 H ARG 27 HN ARG 27 -4.526 -1.786 0.840 172 HA ARG 27 HA ARG 27 -5.740 -1.714 2.747 173 HB2 ARG 27 HB2 ARG 27 -4.724 0.693 2.510 174 HB3 ARG 27 HB3 ARG 27 -6.400 1.157 2.242 175 HG2 ARG 27 HG2 ARG 27 -7.010 0.130 4.383 176 HG3 ARG 27 HG3 ARG 27 -5.315 -0.278 4.649 177 HD2 ARG 27 HD2 ARG 27 -5.872 1.740 5.861 178 HD3 ARG 27 HD3 ARG 27 -4.748 2.116 4.557 179 HE ARG 27 HE ARG 27 -7.077 2.635 3.383 180 HH11 ARG 27 HH12 ARG 27 -5.900 3.503 6.546 181 HH12 ARG 27 HH11 ARG 27 -6.817 4.970 6.624 182 HH21 ARG 27 HH22 ARG 27 -8.279 4.566 3.474 183 HH22 ARG 27 HH21 ARG 27 -8.170 5.574 4.878 184 H LYS 28 HN LYS 28 -7.491 -2.974 2.393 185 HA LYS 28 HA LYS 28 -9.954 -1.596 1.570 186 HB2 LYS 28 HB2 LYS 28 -8.739 -4.047 0.448 187 HB3 LYS 28 HB3 LYS 28 -10.470 -4.127 0.749 188 HG2 LYS 28 HG2 LYS 28 -10.261 -3.425 -1.470 189 HG3 LYS 28 HG3 LYS 28 -10.639 -1.959 -0.566 190 HD2 LYS 28 HD2 LYS 28 -8.263 -1.371 -0.534 191 HD3 LYS 28 HD3 LYS 28 -7.891 -2.836 -1.442 192 HE2 LYS 28 HE2 LYS 28 -7.963 -0.903 -2.920 193 HE3 LYS 28 HE3 LYS 28 -9.268 -2.028 -3.300 194 HZ1 LYS 28 HZ1 LYS 28 -10.786 -0.617 -2.039 195 HZ2 LYS 28 HZ2 LYS 28 -10.059 0.246 -3.299 196 HZ3 LYS 28 HZ3 LYS 28 -9.531 0.468 -1.709 197 HA PRO 29 HA PRO 29 -10.360 -3.565 5.801 198 HB2 PRO 29 HB2 PRO 29 -12.068 -1.156 6.103 199 HB3 PRO 29 HB3 PRO 29 -10.847 -1.815 7.198 200 HG2 PRO 29 HG2 PRO 29 -10.355 0.385 5.782 201 HG3 PRO 29 HG3 PRO 29 -9.091 -0.834 6.038 202 HD2 PRO 29 HD2 PRO 29 -10.777 -0.331 3.615 203 HD3 PRO 29 HD3 PRO 29 -9.049 -0.729 3.724 204 H LYS 30 HN LYS 30 -12.615 -2.265 3.455 205 HA LYS 30 HA LYS 30 -14.694 -4.081 4.483 206 HB2 LYS 30 HB2 LYS 30 -16.333 -2.629 3.386 207 HB3 LYS 30 HB3 LYS 30 -15.364 -1.733 4.547 208 HG2 LYS 30 HG2 LYS 30 -13.980 -0.883 2.691 209 HG3 LYS 30 HG3 LYS 30 -15.033 -1.725 1.554 210 HD2 LYS 30 HD2 LYS 30 -16.111 0.260 3.536 211 HD3 LYS 30 HD3 LYS 30 -15.471 0.766 1.973 212 HE2 LYS 30 HE2 LYS 30 -17.826 0.534 1.730 213 HE3 LYS 30 HE3 LYS 30 -17.078 -0.828 0.899 214 HZ1 LYS 30 HZ1 LYS 30 -17.642 -2.266 2.678 215 HZ2 LYS 30 HZ2 LYS 30 -19.041 -1.394 2.302 216 HZ3 LYS 30 HZ3 LYS 30 -18.131 -0.984 3.668 217 H LEU 31 HN LEU 31 -16.340 -4.487 2.502 218 HA LEU 31 HA LEU 31 -15.026 -6.283 0.795 219 HB2 LEU 31 HB2 LEU 31 -17.754 -5.027 0.487 220 HB3 LEU 31 HB3 LEU 31 -17.183 -6.433 -0.389 221 HG LEU 31 HG LEU 31 -17.558 -6.294 2.604 222 HD11 LEU 31 HD11 LEU 31 -19.685 -6.210 1.417 223 HD12 LEU 31 HD12 LEU 31 -19.231 -7.637 0.487 224 HD13 LEU 31 HD13 LEU 31 -19.472 -7.762 2.230 225 HD21 LEU 31 HD21 LEU 31 -17.220 -8.719 2.522 226 HD22 LEU 31 HD22 LEU 31 -16.885 -8.612 0.794 227 HD23 LEU 31 HD23 LEU 31 -15.798 -7.846 1.953 228 H THR 32 HN THR 32 -14.982 -6.238 -1.569 229 HA THR 32 HA THR 32 -14.173 -3.587 -2.525 230 HB THR 32 HB THR 32 -13.046 -4.790 -4.360 231 HG1 THR 32 HG1 THR 32 -12.918 -7.226 -3.728 232 HG21 THR 32 HG21 THR 32 -12.356 -5.857 -1.620 233 HG22 THR 32 HG22 THR 32 -11.822 -4.315 -2.289 234 HG23 THR 32 HG23 THR 32 -11.283 -5.828 -3.019 235 H GLU 33 HN GLU 33 -15.368 -2.498 -3.929 236 HA GLU 33 HA GLU 33 -16.946 -1.947 -5.464 237 HB2 GLU 33 HB2 GLU 33 -16.637 -4.840 -6.281 238 HB3 GLU 33 HB3 GLU 33 -17.516 -3.629 -7.202 239 HG2 GLU 33 HG2 GLU 33 -15.469 -2.346 -7.496 240 HG3 GLU 33 HG3 GLU 33 -14.580 -3.536 -6.545 241 H ALA 34 HN ALA 34 -17.526 -3.854 -2.911 242 HA ALA 34 HA ALA 34 -19.368 -4.579 -1.790 243 HB1 ALA 34 HB1 ALA 34 -19.937 -2.204 -1.980 244 HB2 ALA 34 HB2 ALA 34 -20.766 -2.528 -3.503 245 HB3 ALA 34 HB3 ALA 34 -21.376 -3.223 -2.001 246 HA PRO 35 HA PRO 35 -20.558 -7.519 -5.163 247 HB2 PRO 35 HB2 PRO 35 -20.644 -9.674 -3.461 248 HB3 PRO 35 HB3 PRO 35 -19.197 -9.157 -4.333 249 HG2 PRO 35 HG2 PRO 35 -20.000 -8.613 -1.504 250 HG3 PRO 35 HG3 PRO 35 -18.405 -9.034 -2.155 251 HD2 PRO 35 HD2 PRO 35 -19.039 -6.507 -1.505 252 HD3 PRO 35 HD3 PRO 35 -17.997 -6.877 -2.895 Start of MODEL 14 1 H1 GLU 1 H1 GLU 1 14.414 0.639 -11.164 2 H2 GLU 1 H2 GLU 1 14.901 -0.353 -9.885 3 H3 GLU 1 H3 GLU 1 15.988 0.756 -10.554 4 HA GLU 1 HA GLU 1 14.608 2.592 -9.809 5 HB2 GLU 1 HB2 GLU 1 13.015 0.391 -8.475 6 HB3 GLU 1 HB3 GLU 1 12.785 2.114 -8.209 7 HG2 GLU 1 HG2 GLU 1 12.403 0.672 -10.825 8 HG3 GLU 1 HG3 GLU 1 11.120 1.200 -9.737 9 H HIS 2 HN HIS 2 16.166 3.417 -8.596 10 HA HIS 2 HA HIS 2 16.704 2.231 -5.984 11 HB2 HIS 2 HB2 HIS 2 18.426 1.303 -7.482 12 HB3 HIS 2 HB3 HIS 2 18.890 2.934 -7.954 13 HD1 HIS 2 HD1 HIS 2 19.348 0.403 -5.293 14 HD2 HIS 2 HD2 HIS 2 20.276 4.402 -5.940 15 HE1 HIS 2 HE1 HIS 2 21.045 0.994 -3.536 16 HE2 HIS 2 HE2 HIS 2 21.616 3.409 -3.964 17 H LYS 3 HN LYS 3 15.858 3.921 -4.862 18 HA LYS 3 HA LYS 3 17.275 6.478 -5.104 19 HB2 LYS 3 HB2 LYS 3 14.277 6.190 -4.848 20 HB3 LYS 3 HB3 LYS 3 15.165 7.707 -4.819 21 HG2 LYS 3 HG2 LYS 3 15.869 7.387 -7.104 22 HG3 LYS 3 HG3 LYS 3 15.097 5.800 -7.146 23 HD2 LYS 3 HD2 LYS 3 12.920 6.876 -6.752 24 HD3 LYS 3 HD3 LYS 3 13.709 8.454 -6.776 25 HE2 LYS 3 HE2 LYS 3 14.459 8.013 -9.082 26 HE3 LYS 3 HE3 LYS 3 13.602 6.473 -9.048 27 HZ1 LYS 3 HZ1 LYS 3 12.342 9.145 -8.736 28 HZ2 LYS 3 HZ2 LYS 3 11.529 7.662 -8.742 29 HZ3 LYS 3 HZ3 LYS 3 12.309 8.204 -10.142 30 H HIS 4 HN HIS 4 14.826 4.767 -3.156 31 HA HIS 4 HA HIS 4 14.539 4.537 -0.913 32 HB2 HIS 4 HB2 HIS 4 17.530 4.993 -0.871 33 HB3 HIS 4 HB3 HIS 4 16.580 4.380 0.479 34 HD1 HIS 4 HD1 HIS 4 18.492 3.275 -2.380 35 HD2 HIS 4 HD2 HIS 4 15.279 1.809 -0.191 36 HE1 HIS 4 HE1 HIS 4 18.372 0.822 -2.923 37 HE2 HIS 4 HE2 HIS 4 16.424 -0.048 -1.583 38 H SER 5 HN SER 5 14.746 7.309 -2.268 39 HA SER 5 HA SER 5 14.291 8.798 0.165 40 HB2 SER 5 HB2 SER 5 16.738 9.010 -0.130 41 HB3 SER 5 HB3 SER 5 16.475 9.673 -1.743 42 HG SER 5 HG SER 5 15.546 10.803 0.690 43 H ASP 6 HN ASP 6 13.200 7.946 -2.641 44 HA ASP 6 HA ASP 6 12.660 10.248 -4.131 45 HB2 ASP 6 HB2 ASP 6 10.701 8.930 -5.015 46 HB3 ASP 6 HB3 ASP 6 12.254 8.107 -5.114 47 H GLU 7 HN GLU 7 10.594 8.626 -1.714 48 HA GLU 7 HA GLU 7 9.662 11.075 -0.623 49 HB2 GLU 7 HB2 GLU 7 8.373 11.187 -2.693 50 HB3 GLU 7 HB3 GLU 7 7.744 9.568 -2.412 51 HG2 GLU 7 HG2 GLU 7 6.561 10.342 -0.443 52 HG3 GLU 7 HG3 GLU 7 7.238 11.957 -0.652 53 H SER 8 HN SER 8 8.005 7.990 -1.243 54 HA SER 8 HA SER 8 7.945 7.539 1.664 55 HB2 SER 8 HB2 SER 8 5.718 7.758 0.643 56 HB3 SER 8 HB3 SER 8 6.104 6.461 -0.488 57 HG SER 8 HG SER 8 5.638 6.328 2.282 58 H THR 9 HN THR 9 9.732 6.758 -0.860 59 HA THR 9 HA THR 9 11.089 5.041 -1.464 60 HB THR 9 HB THR 9 10.621 4.164 1.393 61 HG1 THR 9 HG1 THR 9 13.027 5.268 0.895 62 HG21 THR 9 HG21 THR 9 12.806 3.416 -0.555 63 HG22 THR 9 HG22 THR 9 11.538 2.346 0.049 64 HG23 THR 9 HG23 THR 9 12.764 2.974 1.152 65 H SER 10 HN SER 10 9.788 4.079 -2.999 66 HA SER 10 HA SER 10 8.502 2.494 -3.997 67 HB2 SER 10 HB2 SER 10 8.833 0.232 -3.326 68 HB3 SER 10 HB3 SER 10 10.337 1.074 -2.959 69 HG SER 10 HG SER 10 10.005 0.785 -0.888 70 H GLU 11 HN GLU 11 7.400 4.223 -1.748 71 HA GLU 11 HA GLU 11 5.435 4.540 -0.659 72 HB2 GLU 11 HB2 GLU 11 4.576 2.619 -2.807 73 HB3 GLU 11 HB3 GLU 11 3.434 3.316 -1.667 74 HG2 GLU 11 HG2 GLU 11 3.436 4.559 -3.738 75 HG3 GLU 11 HG3 GLU 11 4.047 5.557 -2.421 76 H SEP 12 HN SER 12 4.253 1.378 -1.294 77 HA SEP 12 HA SER 12 5.188 0.283 1.223 78 HB2 SEP 12 HB2 SER 12 3.193 1.649 1.831 79 HB3 SEP 12 HB3 SER 12 2.224 0.669 0.733 80 H PHE 13 HN PHE 13 5.222 -0.274 -1.727 81 HA PHE 13 HA PHE 13 3.813 -2.839 -1.836 82 HB2 PHE 13 HB2 PHE 13 3.775 -0.973 -3.691 83 HB3 PHE 13 HB3 PHE 13 5.330 -1.659 -4.142 84 HD1 PHE 13 HD1 PHE 13 1.938 -2.944 -3.231 85 HD2 PHE 13 HD2 PHE 13 5.264 -3.141 -5.879 86 HE1 PHE 13 HE1 PHE 13 0.785 -4.674 -4.546 87 HE2 PHE 13 HE2 PHE 13 4.118 -4.871 -7.196 88 HZ PHE 13 HZ PHE 13 1.874 -5.640 -6.532 89 H GLU 14 HN GLU 14 5.926 -3.510 -4.010 90 HA GLU 14 HA GLU 14 7.809 -4.773 -4.157 91 HB2 GLU 14 HB2 GLU 14 8.637 -2.526 -3.063 92 HB3 GLU 14 HB3 GLU 14 8.874 -3.543 -1.648 93 HG2 GLU 14 HG2 GLU 14 10.286 -5.038 -3.019 94 HG3 GLU 14 HG3 GLU 14 10.122 -3.902 -4.356 95 H SER 15 HN SER 15 5.517 -5.400 -2.189 96 HA SER 15 HA SER 15 6.943 -7.356 -0.518 97 HB2 SER 15 HB2 SER 15 4.095 -6.371 -0.227 98 HB3 SER 15 HB3 SER 15 4.990 -7.368 0.919 99 HG SER 15 HG SER 15 4.963 -4.687 0.655 100 H ILE 16 HN ILE 16 5.003 -9.159 0.021 101 HA ILE 16 HA ILE 16 5.045 -10.904 -2.143 102 HB ILE 16 HB ILE 16 3.015 -10.867 0.097 103 HG12 ILE 16 HG12 ILE 16 5.612 -12.410 -0.057 104 HG13 ILE 16 HG13 ILE 16 5.430 -10.896 0.822 105 HG21 ILE 16 HG21 ILE 16 2.811 -13.272 -0.357 106 HG22 ILE 16 HG22 ILE 16 2.336 -12.293 -1.746 107 HG23 ILE 16 HG23 ILE 16 3.907 -13.095 -1.728 108 HD11 ILE 16 HD11 ILE 16 3.989 -13.476 1.378 109 HD12 ILE 16 HD12 ILE 16 5.275 -12.749 2.342 110 HD13 ILE 16 HD13 ILE 16 3.705 -11.954 2.222 111 H ALA 17 HN ALA 17 2.258 -9.052 -0.918 112 HA ALA 17 HA ALA 17 0.367 -8.285 -1.908 113 HB1 ALA 17 HB1 ALA 17 0.512 -7.506 -4.210 114 HB2 ALA 17 HB2 ALA 17 1.941 -7.037 -3.289 115 HB3 ALA 17 HB3 ALA 17 2.026 -8.386 -4.422 116 H ASP 18 HN ASP 18 -1.042 -8.729 -4.080 117 HA ASP 18 HA ASP 18 -2.419 -10.174 -5.157 118 HB2 ASP 18 HB2 ASP 18 -0.199 -12.191 -4.751 119 HB3 ASP 18 HB3 ASP 18 -1.568 -12.374 -5.844 120 H ASN 19 HN ASN 19 -1.691 -10.269 -2.061 121 HA ASN 19 HA ASN 19 -4.020 -11.588 -1.239 122 HB2 ASN 19 HB2 ASN 19 -3.101 -13.531 -0.150 123 HB3 ASN 19 HB3 ASN 19 -2.658 -13.579 -1.850 124 HD21 ASN 19 HD21 ASN 19 -0.527 -13.298 -2.445 125 HD22 ASN 19 HD22 ASN 19 0.772 -13.377 -1.309 126 H ASN 20 HN ASN 20 -1.357 -9.667 -0.809 127 HA ASN 20 HA ASN 20 -1.944 -9.320 2.060 128 HB2 ASN 20 HB2 ASN 20 0.368 -10.308 1.416 129 HB3 ASN 20 HB3 ASN 20 0.743 -8.681 0.867 130 HD21 ASN 20 HD21 ASN 20 -0.900 -7.439 2.938 131 HD22 ASN 20 HD22 ASN 20 -0.002 -7.587 4.406 132 H ASP 21 HN ASP 21 -0.255 -7.618 -0.572 133 HA ASP 21 HA ASP 21 -0.607 -5.042 0.389 134 HB2 ASP 21 HB2 ASP 21 -0.243 -6.090 -2.412 135 HB3 ASP 21 HB3 ASP 21 -0.284 -4.368 -2.045 136 H ASP 22 HN ASP 22 -2.964 -7.128 -0.930 137 HA ASP 22 HA ASP 22 -4.712 -5.337 -2.168 138 HB2 ASP 22 HB2 ASP 22 -4.795 -7.911 -2.027 139 HB3 ASP 22 HB3 ASP 22 -5.653 -7.665 -0.510 140 H SER 23 HN SER 23 -3.887 -5.733 1.130 141 HA SER 23 HA SER 23 -5.777 -3.642 1.891 142 HB2 SER 23 HB2 SER 23 -6.753 -5.952 2.395 143 HB3 SER 23 HB3 SER 23 -5.468 -6.123 3.585 144 HG SER 23 HG SER 23 -6.746 -5.072 4.865 145 H TYR 24 HN TYR 24 -2.747 -4.479 1.635 146 HA TYR 24 HA TYR 24 -1.897 -3.393 4.233 147 HB2 TYR 24 HB2 TYR 24 -0.967 -5.513 4.147 148 HB3 TYR 24 HB3 TYR 24 -0.764 -5.467 2.403 149 HD1 TYR 24 HD1 TYR 24 0.504 -3.371 5.250 150 HD2 TYR 24 HD2 TYR 24 1.406 -5.673 1.791 151 HE1 TYR 24 HE1 TYR 24 2.893 -2.867 5.542 152 HE2 TYR 24 HE2 TYR 24 3.787 -5.181 2.068 153 HH TYR 24 HH TYR 24 5.200 -3.449 3.135 154 H PHE 25 HN PHE 25 -1.616 -3.191 0.758 155 HA PHE 25 HA PHE 25 0.038 -0.771 1.028 156 HB2 PHE 25 HB2 PHE 25 1.264 -2.190 -0.353 157 HB3 PHE 25 HB3 PHE 25 -0.173 -2.863 -1.106 158 HD1 PHE 25 HD1 PHE 25 1.910 0.201 -0.936 159 HD2 PHE 25 HD2 PHE 25 -0.934 -2.059 -3.148 160 HE1 PHE 25 HE1 PHE 25 2.205 1.715 -2.853 161 HE2 PHE 25 HE2 PHE 25 -0.646 -0.550 -5.070 162 HZ PHE 25 HZ PHE 25 0.925 1.341 -4.924 163 H GLN 26 HN GLN 26 -2.986 -2.057 0.015 164 HA GLN 26 HA GLN 26 -3.738 0.518 -1.195 165 HB2 GLN 26 HB2 GLN 26 -4.981 -2.219 -1.511 166 HB3 GLN 26 HB3 GLN 26 -5.620 -0.744 -2.224 167 HG2 GLN 26 HG2 GLN 26 -3.618 -0.478 -3.550 168 HG3 GLN 26 HG3 GLN 26 -2.896 -1.891 -2.783 169 HE21 GLN 26 HE21 GLN 26 -5.398 -3.378 -2.770 170 HE22 GLN 26 HE22 GLN 26 -5.667 -3.885 -4.399 171 H ARG 27 HN ARG 27 -5.070 -2.092 0.840 172 HA ARG 27 HA ARG 27 -6.633 -2.093 2.487 173 HB2 ARG 27 HB2 ARG 27 -4.709 -0.457 3.280 174 HB3 ARG 27 HB3 ARG 27 -5.990 0.741 3.154 175 HG2 ARG 27 HG2 ARG 27 -7.364 -0.558 4.691 176 HG3 ARG 27 HG3 ARG 27 -6.087 -1.769 4.807 177 HD2 ARG 27 HD2 ARG 27 -5.868 1.127 5.625 178 HD3 ARG 27 HD3 ARG 27 -6.042 -0.245 6.718 179 HE ARG 27 HE ARG 27 -3.807 -0.744 5.164 180 HH11 ARG 27 HH12 ARG 27 -4.849 1.649 7.473 181 HH12 ARG 27 HH11 ARG 27 -3.246 1.987 8.036 182 HH21 ARG 27 HH22 ARG 27 -1.695 -0.304 5.898 183 HH22 ARG 27 HH21 ARG 27 -1.453 0.877 7.141 184 H LYS 28 HN LYS 28 -8.498 -2.194 1.232 185 HA LYS 28 HA LYS 28 -9.980 0.339 1.029 186 HB2 LYS 28 HB2 LYS 28 -9.560 -1.768 -1.042 187 HB3 LYS 28 HB3 LYS 28 -11.113 -0.944 -0.994 188 HG2 LYS 28 HG2 LYS 28 -9.847 0.260 -2.537 189 HG3 LYS 28 HG3 LYS 28 -9.775 1.224 -1.060 190 HD2 LYS 28 HD2 LYS 28 -7.584 0.253 -0.546 191 HD3 LYS 28 HD3 LYS 28 -7.660 -0.696 -2.031 192 HE2 LYS 28 HE2 LYS 28 -7.651 2.316 -1.842 193 HE3 LYS 28 HE3 LYS 28 -6.287 1.306 -2.319 194 HZ1 LYS 28 HZ1 LYS 28 -7.546 0.558 -4.233 195 HZ2 LYS 28 HZ2 LYS 28 -7.427 2.245 -4.236 196 HZ3 LYS 28 HZ3 LYS 28 -8.871 1.500 -3.768 197 HA PRO 29 HA PRO 29 -12.398 -2.686 3.570 198 HB2 PRO 29 HB2 PRO 29 -13.184 -0.231 4.990 199 HB3 PRO 29 HB3 PRO 29 -12.486 -1.722 5.632 200 HG2 PRO 29 HG2 PRO 29 -11.062 0.547 5.517 201 HG3 PRO 29 HG3 PRO 29 -10.312 -1.035 5.227 202 HD2 PRO 29 HD2 PRO 29 -11.211 1.024 3.237 203 HD3 PRO 29 HD3 PRO 29 -9.707 0.074 3.274 204 H LYS 30 HN LYS 30 -13.437 0.624 2.732 205 HA LYS 30 HA LYS 30 -16.189 -0.145 2.474 206 HB2 LYS 30 HB2 LYS 30 -14.845 2.389 1.518 207 HB3 LYS 30 HB3 LYS 30 -16.567 2.145 1.770 208 HG2 LYS 30 HG2 LYS 30 -14.477 2.055 3.937 209 HG3 LYS 30 HG3 LYS 30 -15.499 3.444 3.567 210 HD2 LYS 30 HD2 LYS 30 -17.491 2.105 4.072 211 HD3 LYS 30 HD3 LYS 30 -16.461 0.723 4.452 212 HE2 LYS 30 HE2 LYS 30 -16.470 3.378 5.884 213 HE3 LYS 30 HE3 LYS 30 -17.182 1.880 6.480 214 HZ1 LYS 30 HZ1 LYS 30 -14.994 0.882 6.524 215 HZ2 LYS 30 HZ2 LYS 30 -14.995 2.303 7.442 216 HZ3 LYS 30 HZ3 LYS 30 -14.297 2.293 5.902 217 H LEU 31 HN LEU 31 -17.239 -0.833 0.710 218 HA LEU 31 HA LEU 31 -15.733 -0.948 -1.814 219 HB2 LEU 31 HB2 LEU 31 -18.040 -2.639 -0.850 220 HB3 LEU 31 HB3 LEU 31 -17.277 -2.790 -2.420 221 HG LEU 31 HG LEU 31 -15.913 -3.271 0.232 222 HD11 LEU 31 HD11 LEU 31 -17.569 -4.986 -0.269 223 HD12 LEU 31 HD12 LEU 31 -16.864 -5.214 -1.869 224 HD13 LEU 31 HD13 LEU 31 -15.932 -5.624 -0.429 225 HD21 LEU 31 HD21 LEU 31 -14.363 -2.459 -1.453 226 HD22 LEU 31 HD22 LEU 31 -14.089 -4.172 -1.140 227 HD23 LEU 31 HD23 LEU 31 -14.945 -3.667 -2.598 228 H THR 32 HN THR 32 -19.008 -0.422 -0.533 229 HA THR 32 HA THR 32 -19.474 1.619 -2.535 230 HB THR 32 HB THR 32 -20.183 -0.371 -3.754 231 HG1 THR 32 HG1 THR 32 -21.642 0.998 -4.437 232 HG21 THR 32 HG21 THR 32 -20.669 -1.823 -1.841 233 HG22 THR 32 HG22 THR 32 -22.035 -1.755 -2.954 234 HG23 THR 32 HG23 THR 32 -22.077 -0.837 -1.449 235 H GLU 33 HN GLU 33 -19.717 0.515 0.520 236 HA GLU 33 HA GLU 33 -22.294 1.432 1.304 237 HB2 GLU 33 HB2 GLU 33 -19.808 1.060 2.987 238 HB3 GLU 33 HB3 GLU 33 -21.451 1.216 3.593 239 HG2 GLU 33 HG2 GLU 33 -22.069 -0.871 2.518 240 HG3 GLU 33 HG3 GLU 33 -20.443 -1.021 1.850 241 H ALA 34 HN ALA 34 -19.561 3.067 0.307 242 HA ALA 34 HA ALA 34 -20.513 5.548 1.564 243 HB1 ALA 34 HB1 ALA 34 -18.510 4.798 2.754 244 HB2 ALA 34 HB2 ALA 34 -17.618 4.770 1.233 245 HB3 ALA 34 HB3 ALA 34 -18.215 6.299 1.877 246 HA PRO 35 HA PRO 35 -20.371 7.184 -2.545 247 HB2 PRO 35 HB2 PRO 35 -20.054 9.822 -2.068 248 HB3 PRO 35 HB3 PRO 35 -21.557 8.971 -1.695 249 HG2 PRO 35 HG2 PRO 35 -19.313 9.742 0.132 250 HG3 PRO 35 HG3 PRO 35 -21.062 9.867 0.395 251 HD2 PRO 35 HD2 PRO 35 -19.547 7.851 1.416 252 HD3 PRO 35 HD3 PRO 35 -21.258 7.654 0.983 Start of MODEL 15 1 H1 GLU 1 H1 GLU 1 18.354 4.905 15.738 2 H2 GLU 1 H2 GLU 1 18.749 3.577 16.709 3 H3 GLU 1 H3 GLU 1 17.315 3.571 15.810 4 HA GLU 1 HA GLU 1 20.051 3.600 14.678 5 HB2 GLU 1 HB2 GLU 1 18.000 1.377 14.807 6 HB3 GLU 1 HB3 GLU 1 19.540 1.293 13.962 7 HG2 GLU 1 HG2 GLU 1 20.728 1.533 16.070 8 HG3 GLU 1 HG3 GLU 1 19.194 1.663 16.930 9 H HIS 2 HN HIS 2 16.835 4.457 14.310 10 HA HIS 2 HA HIS 2 16.702 4.000 11.447 11 HB2 HIS 2 HB2 HIS 2 14.687 3.748 12.863 12 HB3 HIS 2 HB3 HIS 2 14.776 5.458 13.269 13 HD1 HIS 2 HD1 HIS 2 14.038 7.147 11.461 14 HD2 HIS 2 HD2 HIS 2 13.711 3.170 10.302 15 HE1 HIS 2 HE1 HIS 2 12.659 7.171 9.358 16 HE2 HIS 2 HE2 HIS 2 12.547 4.761 8.629 17 H LYS 3 HN LYS 3 17.169 5.439 9.909 18 HA LYS 3 HA LYS 3 17.247 8.282 10.510 19 HB2 LYS 3 HB2 LYS 3 19.525 8.548 9.592 20 HB3 LYS 3 HB3 LYS 3 19.506 7.603 11.074 21 HG2 LYS 3 HG2 LYS 3 19.613 5.541 9.693 22 HG3 LYS 3 HG3 LYS 3 19.790 6.561 8.265 23 HD2 LYS 3 HD2 LYS 3 21.644 6.808 10.615 24 HD3 LYS 3 HD3 LYS 3 21.919 5.615 9.345 25 HE2 LYS 3 HE2 LYS 3 23.208 7.540 8.801 26 HE3 LYS 3 HE3 LYS 3 21.841 7.494 7.690 27 HZ1 LYS 3 HZ1 LYS 3 20.758 9.204 8.891 28 HZ2 LYS 3 HZ2 LYS 3 22.352 9.720 8.662 29 HZ3 LYS 3 HZ3 LYS 3 21.865 9.122 10.167 30 H HIS 4 HN HIS 4 17.713 5.710 8.127 31 HA HIS 4 HA HIS 4 15.970 6.939 6.257 32 HB2 HIS 4 HB2 HIS 4 17.946 8.390 5.928 33 HB3 HIS 4 HB3 HIS 4 18.912 6.970 5.544 34 HD1 HIS 4 HD1 HIS 4 16.363 9.276 4.117 35 HD2 HIS 4 HD2 HIS 4 18.436 5.852 3.001 36 HE1 HIS 4 HE1 HIS 4 15.991 9.043 1.641 37 HE2 HIS 4 HE2 HIS 4 17.212 6.935 0.997 38 H SER 5 HN SER 5 15.244 5.470 4.791 39 HA SER 5 HA SER 5 16.721 2.934 4.566 40 HB2 SER 5 HB2 SER 5 14.852 2.601 6.114 41 HB3 SER 5 HB3 SER 5 13.727 3.237 4.913 42 HG SER 5 HG SER 5 14.336 0.769 5.201 43 H ASP 6 HN ASP 6 14.058 4.846 3.172 44 HA ASP 6 HA ASP 6 15.132 4.320 0.510 45 HB2 ASP 6 HB2 ASP 6 12.263 3.736 1.276 46 HB3 ASP 6 HB3 ASP 6 12.895 3.720 -0.368 47 H GLU 7 HN GLU 7 12.025 5.615 1.650 48 HA GLU 7 HA GLU 7 12.690 8.341 1.454 49 HB2 GLU 7 HB2 GLU 7 12.898 7.843 -0.952 50 HB3 GLU 7 HB3 GLU 7 11.254 7.222 -0.965 51 HG2 GLU 7 HG2 GLU 7 10.417 9.439 -0.357 52 HG3 GLU 7 HG3 GLU 7 12.067 10.057 -0.366 53 H SER 8 HN SER 8 9.872 6.556 0.228 54 HA SER 8 HA SER 8 8.187 7.956 2.161 55 HB2 SER 8 HB2 SER 8 7.440 6.201 -0.195 56 HB3 SER 8 HB3 SER 8 6.301 7.080 0.825 57 HG SER 8 HG SER 8 8.255 8.701 -0.130 58 H THR 9 HN THR 9 9.921 5.167 1.983 59 HA THR 9 HA THR 9 9.981 3.232 3.168 60 HB THR 9 HB THR 9 7.867 4.416 4.965 61 HG1 THR 9 HG1 THR 9 9.496 5.538 5.989 62 HG21 THR 9 HG21 THR 9 10.143 2.487 5.445 63 HG22 THR 9 HG22 THR 9 8.419 2.109 5.465 64 HG23 THR 9 HG23 THR 9 9.107 3.154 6.706 65 H SER 10 HN SER 10 7.739 3.914 1.140 66 HA SER 10 HA SER 10 6.285 1.406 1.539 67 HB2 SER 10 HB2 SER 10 4.813 3.196 2.390 68 HB3 SER 10 HB3 SER 10 4.941 4.029 0.840 69 HG SER 10 HG SER 10 3.235 2.133 1.523 70 H GLU 11 HN GLU 11 7.657 3.819 -0.490 71 HA GLU 11 HA GLU 11 8.191 3.894 -2.694 72 HB2 GLU 11 HB2 GLU 11 7.711 0.923 -2.459 73 HB3 GLU 11 HB3 GLU 11 8.358 1.692 -3.900 74 HG2 GLU 11 HG2 GLU 11 10.169 0.785 -2.644 75 HG3 GLU 11 HG3 GLU 11 10.245 2.544 -2.542 76 H SEP 12 HN SER 12 5.226 3.684 -1.659 77 HA SEP 12 HA SER 12 3.169 4.033 -2.551 78 HB2 SEP 12 HB2 SER 12 4.294 5.669 -3.996 79 HB3 SEP 12 HB3 SER 12 4.678 4.393 -5.150 80 H PHE 13 HN PHE 13 4.994 1.403 -3.190 81 HA PHE 13 HA PHE 13 2.822 -0.276 -3.726 82 HB2 PHE 13 HB2 PHE 13 3.473 -1.050 -6.021 83 HB3 PHE 13 HB3 PHE 13 2.788 0.568 -5.968 84 HD1 PHE 13 HD2 PHE 13 5.873 -1.375 -6.416 85 HD2 PHE 13 HD1 PHE 13 4.074 2.478 -6.599 86 HE1 PHE 13 HE2 PHE 13 7.845 -0.515 -7.610 87 HE2 PHE 13 HE1 PHE 13 6.046 3.345 -7.790 88 HZ PHE 13 HZ PHE 13 7.909 1.848 -8.338 89 H GLU 14 HN GLU 14 3.341 -2.230 -3.004 90 HA GLU 14 HA GLU 14 5.997 -3.297 -3.330 91 HB2 GLU 14 HB2 GLU 14 4.875 -2.530 -0.650 92 HB3 GLU 14 HB3 GLU 14 6.060 -3.813 -0.809 93 HG2 GLU 14 HG2 GLU 14 6.457 -0.967 -1.695 94 HG3 GLU 14 HG3 GLU 14 7.064 -1.666 -0.195 95 H SER 15 HN SER 15 4.608 -4.723 -4.620 96 HA SER 15 HA SER 15 2.679 -6.381 -3.311 97 HB2 SER 15 HB2 SER 15 2.656 -7.651 -5.428 98 HB3 SER 15 HB3 SER 15 2.502 -5.917 -5.708 99 HG SER 15 HG SER 15 5.091 -6.571 -5.701 100 H ILE 16 HN ILE 16 2.990 -8.192 -2.202 101 HA ILE 16 HA ILE 16 5.592 -9.561 -2.439 102 HB ILE 16 HB ILE 16 3.995 -9.415 0.111 103 HG12 ILE 16 HG12 ILE 16 6.420 -7.742 -0.568 104 HG13 ILE 16 HG13 ILE 16 4.767 -7.141 -0.657 105 HG21 ILE 16 HG21 ILE 16 5.529 -11.283 -0.051 106 HG22 ILE 16 HG22 ILE 16 6.848 -10.192 -0.477 107 HG23 ILE 16 HG23 ILE 16 6.123 -10.113 1.129 108 HD11 ILE 16 HD11 ILE 16 4.488 -7.577 1.732 109 HD12 ILE 16 HD12 ILE 16 6.152 -8.156 1.814 110 HD13 ILE 16 HD13 ILE 16 5.825 -6.470 1.415 111 H ALA 17 HN ALA 17 2.145 -9.774 -2.165 112 HA ALA 17 HA ALA 17 2.153 -12.505 -3.037 113 HB1 ALA 17 HB1 ALA 17 0.983 -11.983 -0.310 114 HB2 ALA 17 HB2 ALA 17 1.172 -13.533 -1.130 115 HB3 ALA 17 HB3 ALA 17 2.594 -12.656 -0.563 116 H ASP 18 HN ASP 18 -0.528 -12.749 -1.547 117 HA ASP 18 HA ASP 18 -2.158 -10.861 -3.071 118 HB2 ASP 18 HB2 ASP 18 -3.653 -12.735 -3.780 119 HB3 ASP 18 HB3 ASP 18 -2.053 -12.812 -4.512 120 H ASN 19 HN ASN 19 -1.356 -11.318 -0.279 121 HA ASN 19 HA ASN 19 -4.030 -11.453 0.912 122 HB2 ASN 19 HB2 ASN 19 -3.333 -12.880 2.673 123 HB3 ASN 19 HB3 ASN 19 -2.708 -13.631 1.207 124 HD21 ASN 19 HD21 ASN 19 -0.464 -13.332 0.702 125 HD22 ASN 19 HD22 ASN 19 0.680 -13.054 1.968 126 H ASN 20 HN ASN 20 -0.735 -10.338 0.919 127 HA ASN 20 HA ASN 20 -1.188 -8.588 3.208 128 HB2 ASN 20 HB2 ASN 20 1.035 -9.871 2.595 129 HB3 ASN 20 HB3 ASN 20 1.298 -8.489 1.539 130 HD21 ASN 20 HD21 ASN 20 -0.208 -6.758 3.439 131 HD22 ASN 20 HD22 ASN 20 0.906 -6.426 4.715 132 H ASP 21 HN ASP 21 -0.182 -8.279 -0.191 133 HA ASP 21 HA ASP 21 -0.307 -5.498 -0.362 134 HB2 ASP 21 HB2 ASP 21 -0.376 -5.804 -2.772 135 HB3 ASP 21 HB3 ASP 21 0.728 -6.981 -2.067 136 H ASP 22 HN ASP 22 -2.798 -7.741 0.049 137 HA ASP 22 HA ASP 22 -4.935 -6.705 -1.367 138 HB2 ASP 22 HB2 ASP 22 -6.300 -7.974 0.018 139 HB3 ASP 22 HB3 ASP 22 -4.740 -8.771 0.226 140 H SER 23 HN SER 23 -3.426 -5.501 1.553 141 HA SER 23 HA SER 23 -5.093 -3.102 1.388 142 HB2 SER 23 HB2 SER 23 -4.596 -4.831 3.795 143 HB3 SER 23 HB3 SER 23 -4.962 -3.120 3.970 144 HG SER 23 HG SER 23 -6.793 -4.658 3.995 145 H TYR 24 HN TYR 24 -2.081 -4.630 2.226 146 HA TYR 24 HA TYR 24 -0.781 -2.350 3.297 147 HB2 TYR 24 HB2 TYR 24 0.155 -4.386 3.925 148 HB3 TYR 24 HB3 TYR 24 0.057 -5.047 2.301 149 HD1 TYR 24 HD1 TYR 24 1.701 -2.143 3.958 150 HD2 TYR 24 HD2 TYR 24 2.104 -5.445 1.309 151 HE1 TYR 24 HE1 TYR 24 4.052 -1.560 3.608 152 HE2 TYR 24 HE2 TYR 24 4.469 -4.877 0.954 153 HH TYR 24 HH TYR 24 6.122 -2.583 2.892 154 H PHE 25 HN PHE 25 -1.489 -3.419 0.108 155 HA PHE 25 HA PHE 25 0.195 -1.265 -0.992 156 HB2 PHE 25 HB2 PHE 25 1.221 -3.117 -1.906 157 HB3 PHE 25 HB3 PHE 25 -0.262 -4.058 -1.950 158 HD1 PHE 25 HD2 PHE 25 1.206 -0.995 -3.496 159 HD2 PHE 25 HD1 PHE 25 -1.204 -4.464 -4.001 160 HE1 PHE 25 HE2 PHE 25 0.963 -0.473 -5.888 161 HE2 PHE 25 HE1 PHE 25 -1.452 -3.949 -6.394 162 HZ PHE 25 HZ PHE 25 -0.368 -1.950 -7.340 163 H GLN 26 HN GLN 26 -2.813 -3.071 -1.229 164 HA GLN 26 HA GLN 26 -3.886 -1.252 -3.202 165 HB2 GLN 26 HB2 GLN 26 -5.008 -3.668 -1.794 166 HB3 GLN 26 HB3 GLN 26 -5.982 -2.665 -2.859 167 HG2 GLN 26 HG2 GLN 26 -3.414 -3.944 -3.738 168 HG3 GLN 26 HG3 GLN 26 -4.979 -4.746 -3.869 169 HE21 GLN 26 HE21 GLN 26 -2.987 -2.133 -5.011 170 HE22 GLN 26 HE22 GLN 26 -3.923 -1.766 -6.417 171 H ARG 27 HN ARG 27 -4.286 -1.990 0.219 172 HA ARG 27 HA ARG 27 -5.242 -0.854 1.938 173 HB2 ARG 27 HB2 ARG 27 -5.160 1.524 0.081 174 HB3 ARG 27 HB3 ARG 27 -5.300 1.569 1.832 175 HG2 ARG 27 HG2 ARG 27 -3.068 0.613 2.044 176 HG3 ARG 27 HG3 ARG 27 -2.929 0.542 0.285 177 HD2 ARG 27 HD2 ARG 27 -1.776 2.495 1.009 178 HD3 ARG 27 HD3 ARG 27 -3.277 3.021 0.249 179 HE ARG 27 HE ARG 27 -3.382 2.707 3.125 180 HH11 ARG 27 HH12 ARG 27 -2.866 4.868 0.439 181 HH12 ARG 27 HH11 ARG 27 -3.193 6.297 1.360 182 HH21 ARG 27 HH22 ARG 27 -3.809 4.586 4.345 183 HH22 ARG 27 HH21 ARG 27 -3.724 6.138 3.581 184 H LYS 28 HN LYS 28 -7.192 -1.936 1.957 185 HA LYS 28 HA LYS 28 -9.461 -0.386 0.933 186 HB2 LYS 28 HB2 LYS 28 -8.837 -3.248 0.370 187 HB3 LYS 28 HB3 LYS 28 -10.519 -2.796 0.598 188 HG2 LYS 28 HG2 LYS 28 -10.278 -2.615 -1.678 189 HG3 LYS 28 HG3 LYS 28 -9.991 -0.955 -1.155 190 HD2 LYS 28 HD2 LYS 28 -7.578 -1.341 -1.261 191 HD3 LYS 28 HD3 LYS 28 -7.865 -3.004 -1.774 192 HE2 LYS 28 HE2 LYS 28 -8.696 -0.517 -3.266 193 HE3 LYS 28 HE3 LYS 28 -7.335 -1.560 -3.674 194 HZ1 LYS 28 HZ1 LYS 28 -9.251 -2.060 -5.041 195 HZ2 LYS 28 HZ2 LYS 28 -10.196 -2.356 -3.672 196 HZ3 LYS 28 HZ3 LYS 28 -8.898 -3.377 -4.038 197 HA PRO 29 HA PRO 29 -10.061 -1.706 5.350 198 HB2 PRO 29 HB2 PRO 29 -10.273 1.056 6.109 199 HB3 PRO 29 HB3 PRO 29 -9.023 -0.104 6.560 200 HG2 PRO 29 HG2 PRO 29 -8.607 2.088 4.945 201 HG3 PRO 29 HG3 PRO 29 -7.591 0.636 4.953 202 HD2 PRO 29 HD2 PRO 29 -9.759 1.427 3.050 203 HD3 PRO 29 HD3 PRO 29 -8.208 0.621 2.727 204 H LYS 30 HN LYS 30 -11.756 -0.230 6.898 205 HA LYS 30 HA LYS 30 -13.953 0.197 7.287 206 HB2 LYS 30 HB2 LYS 30 -13.980 1.088 4.397 207 HB3 LYS 30 HB3 LYS 30 -15.186 1.484 5.614 208 HG2 LYS 30 HG2 LYS 30 -12.289 2.287 5.774 209 HG3 LYS 30 HG3 LYS 30 -13.579 3.313 5.147 210 HD2 LYS 30 HD2 LYS 30 -13.587 2.125 7.917 211 HD3 LYS 30 HD3 LYS 30 -12.956 3.730 7.544 212 HE2 LYS 30 HE2 LYS 30 -15.153 4.379 6.669 213 HE3 LYS 30 HE3 LYS 30 -15.777 2.776 7.056 214 HZ1 LYS 30 HZ1 LYS 30 -14.708 4.726 9.027 215 HZ2 LYS 30 HZ2 LYS 30 -15.346 3.201 9.387 216 HZ3 LYS 30 HZ3 LYS 30 -16.348 4.407 8.754 217 H LEU 31 HN LEU 31 -16.265 -0.214 6.276 218 HA LEU 31 HA LEU 31 -16.267 -3.025 5.484 219 HB2 LEU 31 HB2 LEU 31 -18.323 -1.202 6.692 220 HB3 LEU 31 HB3 LEU 31 -18.794 -2.723 5.959 221 HG LEU 31 HG LEU 31 -17.252 -3.892 7.547 222 HD11 LEU 31 HD11 LEU 31 -16.508 -2.663 9.533 223 HD12 LEU 31 HD12 LEU 31 -15.760 -2.049 8.060 224 HD13 LEU 31 HD13 LEU 31 -17.085 -1.161 8.812 225 HD21 LEU 31 HD21 LEU 31 -19.658 -3.740 7.955 226 HD22 LEU 31 HD22 LEU 31 -18.746 -3.692 9.463 227 HD23 LEU 31 HD23 LEU 31 -19.421 -2.207 8.794 228 H THR 32 HN THR 32 -18.446 -3.493 4.144 229 HA THR 32 HA THR 32 -18.052 -2.058 1.640 230 HB THR 32 HB THR 32 -18.051 -4.478 1.498 231 HG1 THR 32 HG1 THR 32 -18.960 -4.029 -0.361 232 HG21 THR 32 HG21 THR 32 -20.854 -4.340 2.617 233 HG22 THR 32 HG22 THR 32 -19.436 -4.966 3.457 234 HG23 THR 32 HG23 THR 32 -20.050 -5.795 2.026 235 H GLU 33 HN GLU 33 -20.226 -2.133 4.263 236 HA GLU 33 HA GLU 33 -22.526 -1.197 2.791 237 HB2 GLU 33 HB2 GLU 33 -22.045 -1.283 5.776 238 HB3 GLU 33 HB3 GLU 33 -23.591 -1.007 4.984 239 HG2 GLU 33 HG2 GLU 33 -23.543 -3.246 4.054 240 HG3 GLU 33 HG3 GLU 33 -21.959 -3.527 4.773 241 H ALA 34 HN ALA 34 -20.505 0.215 5.373 242 HA ALA 34 HA ALA 34 -21.488 2.858 4.903 243 HB1 ALA 34 HB1 ALA 34 -19.094 1.952 6.501 244 HB2 ALA 34 HB2 ALA 34 -19.839 3.550 6.562 245 HB3 ALA 34 HB3 ALA 34 -20.736 2.137 7.117 246 HA PRO 35 HA PRO 35 -18.630 4.121 1.769 247 HB2 PRO 35 HB2 PRO 35 -18.612 6.787 2.096 248 HB3 PRO 35 HB3 PRO 35 -20.048 5.929 1.525 249 HG2 PRO 35 HG2 PRO 35 -19.419 6.959 4.261 250 HG3 PRO 35 HG3 PRO 35 -20.948 7.020 3.365 251 HD2 PRO 35 HD2 PRO 35 -20.381 5.169 5.312 252 HD3 PRO 35 HD3 PRO 35 -21.536 4.899 3.993 Start of MODEL 16 1 H1 GLU 1 H1 GLU 1 22.166 2.934 2.974 2 H2 GLU 1 H2 GLU 1 23.802 2.522 3.075 3 H3 GLU 1 H3 GLU 1 23.326 4.136 3.243 4 HA GLU 1 HA GLU 1 22.634 1.931 5.095 5 HB2 GLU 1 HB2 GLU 1 24.524 4.262 5.481 6 HB3 GLU 1 HB3 GLU 1 24.155 3.016 6.666 7 HG2 GLU 1 HG2 GLU 1 25.522 2.578 4.021 8 HG3 GLU 1 HG3 GLU 1 26.312 2.644 5.596 9 H HIS 2 HN HIS 2 21.350 2.496 6.847 10 HA HIS 2 HA HIS 2 19.627 3.542 7.901 11 HB2 HIS 2 HB2 HIS 2 21.117 6.055 7.110 12 HB3 HIS 2 HB3 HIS 2 19.900 5.926 8.375 13 HD1 HIS 2 HD1 HIS 2 23.487 5.500 7.727 14 HD2 HIS 2 HD2 HIS 2 20.767 4.405 10.671 15 HE1 HIS 2 HE1 HIS 2 24.878 4.822 9.709 16 HE2 HIS 2 HE2 HIS 2 23.214 4.079 11.446 17 H LYS 3 HN LYS 3 18.250 5.898 7.452 18 HA LYS 3 HA LYS 3 17.419 5.842 4.650 19 HB2 LYS 3 HB2 LYS 3 15.054 5.636 5.238 20 HB3 LYS 3 HB3 LYS 3 15.959 4.226 5.767 21 HG2 LYS 3 HG2 LYS 3 15.388 6.491 7.643 22 HG3 LYS 3 HG3 LYS 3 14.197 5.226 7.342 23 HD2 LYS 3 HD2 LYS 3 17.018 4.741 8.298 24 HD3 LYS 3 HD3 LYS 3 15.600 4.805 9.343 25 HE2 LYS 3 HE2 LYS 3 14.626 2.911 8.147 26 HE3 LYS 3 HE3 LYS 3 16.029 2.855 7.081 27 HZ1 LYS 3 HZ1 LYS 3 17.418 2.384 9.016 28 HZ2 LYS 3 HZ2 LYS 3 16.217 1.209 8.820 29 HZ3 LYS 3 HZ3 LYS 3 16.052 2.394 10.015 30 H HIS 4 HN HIS 4 15.895 7.633 4.133 31 HA HIS 4 HA HIS 4 16.727 10.037 5.571 32 HB2 HIS 4 HB2 HIS 4 17.031 9.962 3.122 33 HB3 HIS 4 HB3 HIS 4 15.295 9.751 2.920 34 HD1 HIS 4 HD1 HIS 4 13.944 11.830 2.707 35 HD2 HIS 4 HD2 HIS 4 17.712 12.564 4.300 36 HE1 HIS 4 HE1 HIS 4 14.141 14.334 2.844 37 HE2 HIS 4 HE2 HIS 4 16.400 14.753 3.876 38 H SER 5 HN SER 5 13.936 8.079 4.956 39 HA SER 5 HA SER 5 12.405 9.636 6.857 40 HB2 SER 5 HB2 SER 5 10.454 9.874 5.347 41 HB3 SER 5 HB3 SER 5 11.854 10.781 4.776 42 HG SER 5 HG SER 5 10.971 9.657 3.055 43 H ASP 6 HN ASP 6 11.895 7.119 4.376 44 HA ASP 6 HA ASP 6 11.136 5.255 6.500 45 HB2 ASP 6 HB2 ASP 6 9.453 5.764 4.037 46 HB3 ASP 6 HB3 ASP 6 9.150 4.521 5.247 47 H GLU 7 HN GLU 7 10.932 5.168 2.949 48 HA GLU 7 HA GLU 7 13.270 3.586 2.607 49 HB2 GLU 7 HB2 GLU 7 11.818 1.879 3.646 50 HB3 GLU 7 HB3 GLU 7 10.622 2.138 2.384 51 HG2 GLU 7 HG2 GLU 7 12.280 1.404 0.711 52 HG3 GLU 7 HG3 GLU 7 13.409 1.062 2.022 53 H SER 8 HN SER 8 10.096 3.349 1.035 54 HA SER 8 HA SER 8 11.322 4.371 -1.430 55 HB2 SER 8 HB2 SER 8 9.320 3.350 -2.552 56 HB3 SER 8 HB3 SER 8 10.338 2.179 -1.714 57 HG SER 8 HG SER 8 8.065 1.925 -1.307 58 H THR 9 HN THR 9 9.589 5.410 1.135 59 HA THR 9 HA THR 9 8.293 7.216 1.597 60 HB THR 9 HB THR 9 9.061 8.289 -1.115 61 HG1 THR 9 HG1 THR 9 10.904 7.474 0.118 62 HG21 THR 9 HG21 THR 9 8.444 9.594 1.539 63 HG22 THR 9 HG22 THR 9 7.463 9.660 0.074 64 HG23 THR 9 HG23 THR 9 9.038 10.452 0.117 65 H SER 10 HN SER 10 7.294 4.912 -0.112 66 HA SER 10 HA SER 10 4.713 6.111 -0.728 67 HB2 SER 10 HB2 SER 10 4.706 4.729 -2.915 68 HB3 SER 10 HB3 SER 10 5.598 6.253 -2.904 69 HG SER 10 HG SER 10 6.555 3.617 -2.899 70 H GLU 11 HN GLU 11 6.665 3.156 -0.660 71 HA GLU 11 HA GLU 11 6.196 1.009 -0.128 72 HB2 GLU 11 HB2 GLU 11 4.191 2.258 1.747 73 HB3 GLU 11 HB3 GLU 11 4.944 0.680 1.886 74 HG2 GLU 11 HG2 GLU 11 7.116 1.721 2.223 75 HG3 GLU 11 HG3 GLU 11 6.380 3.315 2.054 76 H SEP 12 HN SER 12 4.410 2.496 -2.133 77 HA SEP 12 HA SER 12 1.889 1.116 -1.974 78 HB2 SEP 12 HB2 SER 12 3.102 2.699 -4.256 79 HB3 SEP 12 HB3 SER 12 1.423 2.171 -4.145 80 H PHE 13 HN PHE 13 4.766 -0.098 -2.419 81 HA PHE 13 HA PHE 13 3.898 -2.429 -3.752 82 HB2 PHE 13 HB2 PHE 13 5.360 -2.259 -5.771 83 HB3 PHE 13 HB3 PHE 13 4.005 -1.136 -5.785 84 HD1 PHE 13 HD2 PHE 13 7.639 -1.464 -5.516 85 HD2 PHE 13 HD1 PHE 13 4.355 1.242 -5.590 86 HE1 PHE 13 HE2 PHE 13 9.194 0.407 -5.889 87 HE2 PHE 13 HE1 PHE 13 5.903 3.118 -5.965 88 HZ PHE 13 HZ PHE 13 8.325 2.701 -6.114 89 H GLU 14 HN GLU 14 6.360 -3.296 -4.806 90 HA GLU 14 HA GLU 14 8.310 -4.278 -4.182 91 HB2 GLU 14 HB2 GLU 14 8.939 -1.841 -3.887 92 HB3 GLU 14 HB3 GLU 14 8.597 -2.041 -2.174 93 HG2 GLU 14 HG2 GLU 14 10.330 -3.694 -1.974 94 HG3 GLU 14 HG3 GLU 14 10.620 -3.649 -3.712 95 H SER 15 HN SER 15 6.037 -5.320 -3.070 96 HA SER 15 HA SER 15 7.070 -6.332 -0.522 97 HB2 SER 15 HB2 SER 15 5.382 -4.598 0.010 98 HB3 SER 15 HB3 SER 15 4.193 -5.481 -0.948 99 HG SER 15 HG SER 15 4.709 -5.814 1.578 100 H ILE 16 HN ILE 16 5.364 -8.192 0.171 101 HA ILE 16 HA ILE 16 5.742 -10.274 -1.666 102 HB ILE 16 HB ILE 16 3.711 -10.166 0.571 103 HG12 ILE 16 HG12 ILE 16 6.530 -11.263 0.642 104 HG13 ILE 16 HG13 ILE 16 6.086 -9.673 1.253 105 HG21 ILE 16 HG21 ILE 16 3.290 -11.984 -0.977 106 HG22 ILE 16 HG22 ILE 16 4.971 -12.502 -0.860 107 HG23 ILE 16 HG23 ILE 16 3.913 -12.617 0.546 108 HD11 ILE 16 HD11 ILE 16 5.042 -12.310 2.261 109 HD12 ILE 16 HD12 ILE 16 6.241 -11.286 3.052 110 HD13 ILE 16 HD13 ILE 16 4.581 -10.719 2.869 111 H ALA 17 HN ALA 17 2.816 -8.443 -0.832 112 HA ALA 17 HA ALA 17 0.836 -8.133 -1.896 113 HB1 ALA 17 HB1 ALA 17 2.286 -7.147 -3.602 114 HB2 ALA 17 HB2 ALA 17 2.441 -8.725 -4.377 115 HB3 ALA 17 HB3 ALA 17 0.871 -7.924 -4.312 116 H ASP 18 HN ASP 18 -0.540 -9.243 -3.866 117 HA ASP 18 HA ASP 18 -1.781 -11.038 -4.487 118 HB2 ASP 18 HB2 ASP 18 0.582 -12.725 -3.637 119 HB3 ASP 18 HB3 ASP 18 -0.725 -13.210 -4.712 120 H ASN 19 HN ASN 19 -0.981 -10.278 -1.505 121 HA ASN 19 HA ASN 19 -3.153 -11.519 -0.260 122 HB2 ASN 19 HB2 ASN 19 -2.088 -13.073 1.201 123 HB3 ASN 19 HB3 ASN 19 -1.570 -13.476 -0.428 124 HD21 ASN 19 HD21 ASN 19 0.556 -13.155 -1.019 125 HD22 ASN 19 HD22 ASN 19 1.802 -12.821 0.129 126 H ASN 20 HN ASN 20 -0.539 -9.448 -0.447 127 HA ASN 20 HA ASN 20 -0.946 -8.443 2.290 128 HB2 ASN 20 HB2 ASN 20 1.410 -9.144 1.372 129 HB3 ASN 20 HB3 ASN 20 1.347 -7.586 0.559 130 HD21 ASN 20 HD21 ASN 20 -0.242 -6.408 2.723 131 HD22 ASN 20 HD22 ASN 20 0.866 -6.117 4.013 132 H ASP 21 HN ASP 21 -0.264 -7.274 -1.009 133 HA ASP 21 HA ASP 21 -0.888 -4.592 -0.568 134 HB2 ASP 21 HB2 ASP 21 -0.973 -6.286 -3.061 135 HB3 ASP 21 HB3 ASP 21 -1.315 -4.559 -3.084 136 H ASP 22 HN ASP 22 -2.950 -7.249 -0.537 137 HA ASP 22 HA ASP 22 -5.298 -6.249 -1.673 138 HB2 ASP 22 HB2 ASP 22 -4.735 -8.613 -0.847 139 HB3 ASP 22 HB3 ASP 22 -5.238 -8.043 0.743 140 H SER 23 HN SER 23 -3.636 -5.204 1.085 141 HA SER 23 HA SER 23 -5.798 -3.387 1.767 142 HB2 SER 23 HB2 SER 23 -6.155 -5.424 3.192 143 HB3 SER 23 HB3 SER 23 -4.566 -5.145 3.901 144 HG SER 23 HG SER 23 -6.804 -4.131 4.715 145 H TYR 24 HN TYR 24 -2.532 -4.533 2.305 146 HA TYR 24 HA TYR 24 -1.534 -2.309 3.709 147 HB2 TYR 24 HB2 TYR 24 -0.224 -4.217 3.862 148 HB3 TYR 24 HB3 TYR 24 -0.380 -4.581 2.149 149 HD1 TYR 24 HD1 TYR 24 1.015 -1.865 4.283 150 HD2 TYR 24 HD2 TYR 24 1.552 -4.384 0.901 151 HE1 TYR 24 HE1 TYR 24 3.212 -0.854 3.894 152 HE2 TYR 24 HE2 TYR 24 3.763 -3.384 0.501 153 HH TYR 24 HH TYR 24 4.941 -1.254 1.025 154 H PHE 25 HN PHE 25 -2.229 -2.847 0.373 155 HA PHE 25 HA PHE 25 -0.873 -0.328 -0.337 156 HB2 PHE 25 HB2 PHE 25 0.153 -1.939 -1.666 157 HB3 PHE 25 HB3 PHE 25 -1.329 -2.864 -1.867 158 HD1 PHE 25 HD2 PHE 25 0.037 0.510 -2.695 159 HD2 PHE 25 HD1 PHE 25 -2.365 -2.786 -3.897 160 HE1 PHE 25 HE2 PHE 25 -0.340 1.589 -4.876 161 HE2 PHE 25 HE1 PHE 25 -2.751 -1.717 -6.080 162 HZ PHE 25 HZ PHE 25 -1.738 0.474 -6.572 163 H GLN 26 HN GLN 26 -3.652 -2.334 -1.332 164 HA GLN 26 HA GLN 26 -5.005 -0.137 -2.541 165 HB2 GLN 26 HB2 GLN 26 -5.293 -2.521 -3.221 166 HB3 GLN 26 HB3 GLN 26 -6.150 -2.807 -1.713 167 HG2 GLN 26 HG2 GLN 26 -7.732 -2.510 -3.490 168 HG3 GLN 26 HG3 GLN 26 -7.833 -1.140 -2.382 169 HE21 GLN 26 HE21 GLN 26 -8.756 0.179 -3.946 170 HE22 GLN 26 HE22 GLN 26 -7.846 0.824 -5.264 171 H ARG 27 HN ARG 27 -5.216 -1.761 0.580 172 HA ARG 27 HA ARG 27 -6.174 -1.165 2.549 173 HB2 ARG 27 HB2 ARG 27 -6.531 1.537 1.242 174 HB3 ARG 27 HB3 ARG 27 -6.691 1.198 2.959 175 HG2 ARG 27 HG2 ARG 27 -4.325 0.540 3.033 176 HG3 ARG 27 HG3 ARG 27 -4.177 0.940 1.321 177 HD2 ARG 27 HD2 ARG 27 -4.822 3.260 1.828 178 HD3 ARG 27 HD3 ARG 27 -4.912 2.848 3.540 179 HE ARG 27 HE ARG 27 -2.379 2.130 2.717 180 HH11 ARG 27 HH12 ARG 27 -4.269 5.055 2.857 181 HH12 ARG 27 HH11 ARG 27 -2.894 6.086 3.062 182 HH21 ARG 27 HH22 ARG 27 -0.563 3.482 2.984 183 HH22 ARG 27 HH21 ARG 27 -0.787 5.193 3.132 184 H LYS 28 HN LYS 28 -7.987 -2.250 2.867 185 HA LYS 28 HA LYS 28 -10.454 -1.247 1.608 186 HB2 LYS 28 HB2 LYS 28 -9.322 -3.918 1.684 187 HB3 LYS 28 HB3 LYS 28 -10.944 -3.888 2.362 188 HG2 LYS 28 HG2 LYS 28 -11.205 -4.371 0.082 189 HG3 LYS 28 HG3 LYS 28 -11.655 -2.674 0.263 190 HD2 LYS 28 HD2 LYS 28 -9.467 -1.985 -0.536 191 HD3 LYS 28 HD3 LYS 28 -8.960 -3.672 -0.652 192 HE2 LYS 28 HE2 LYS 28 -11.217 -2.407 -2.205 193 HE3 LYS 28 HE3 LYS 28 -9.605 -2.743 -2.837 194 HZ1 LYS 28 HZ1 LYS 28 -11.557 -4.758 -1.865 195 HZ2 LYS 28 HZ2 LYS 28 -9.993 -5.105 -2.404 196 HZ3 LYS 28 HZ3 LYS 28 -11.136 -4.472 -3.478 197 HA PRO 29 HA PRO 29 -11.167 -1.081 6.141 198 HB2 PRO 29 HB2 PRO 29 -11.656 1.657 6.186 199 HB3 PRO 29 HB3 PRO 29 -10.115 0.883 6.560 200 HG2 PRO 29 HG2 PRO 29 -10.716 2.568 4.347 201 HG3 PRO 29 HG3 PRO 29 -9.206 1.701 4.664 202 HD2 PRO 29 HD2 PRO 29 -11.451 0.995 2.862 203 HD3 PRO 29 HD3 PRO 29 -9.734 0.552 2.761 204 H LYS 30 HN LYS 30 -12.881 1.266 4.069 205 HA LYS 30 HA LYS 30 -15.077 1.707 3.730 206 HB2 LYS 30 HB2 LYS 30 -15.355 -1.210 4.458 207 HB3 LYS 30 HB3 LYS 30 -16.678 -0.220 3.858 208 HG2 LYS 30 HG2 LYS 30 -15.979 -1.250 1.937 209 HG3 LYS 30 HG3 LYS 30 -15.052 0.250 1.874 210 HD2 LYS 30 HD2 LYS 30 -13.589 -1.572 1.326 211 HD3 LYS 30 HD3 LYS 30 -13.143 -0.957 2.918 212 HE2 LYS 30 HE2 LYS 30 -13.155 -3.417 2.833 213 HE3 LYS 30 HE3 LYS 30 -14.321 -2.779 3.990 214 HZ1 LYS 30 HZ1 LYS 30 -15.245 -4.584 2.661 215 HZ2 LYS 30 HZ2 LYS 30 -14.968 -3.705 1.243 216 HZ3 LYS 30 HZ3 LYS 30 -16.077 -3.136 2.386 217 H LEU 31 HN LEU 31 -13.788 1.478 6.592 218 HA LEU 31 HA LEU 31 -14.395 1.871 8.754 219 HB2 LEU 31 HB2 LEU 31 -16.611 3.358 7.341 220 HB3 LEU 31 HB3 LEU 31 -16.181 3.561 9.028 221 HG LEU 31 HG LEU 31 -14.369 4.180 6.693 222 HD11 LEU 31 HD11 LEU 31 -15.907 6.022 8.519 223 HD12 LEU 31 HD12 LEU 31 -14.744 6.520 7.290 224 HD13 LEU 31 HD13 LEU 31 -16.245 5.726 6.813 225 HD21 LEU 31 HD21 LEU 31 -12.948 5.238 8.383 226 HD22 LEU 31 HD22 LEU 31 -14.040 4.681 9.650 227 HD23 LEU 31 HD23 LEU 31 -13.138 3.511 8.686 228 H THR 32 HN THR 32 -17.073 2.333 9.774 229 HA THR 32 HA THR 32 -18.833 1.218 10.676 230 HB THR 32 HB THR 32 -18.572 -0.681 8.336 231 HG1 THR 32 HG1 THR 32 -20.566 0.917 7.916 232 HG21 THR 32 HG21 THR 32 -20.939 -1.147 8.755 233 HG22 THR 32 HG22 THR 32 -20.910 -0.068 10.149 234 HG23 THR 32 HG23 THR 32 -19.956 -1.551 10.162 235 H GLU 33 HN GLU 33 -17.325 -1.643 9.236 236 HA GLU 33 HA GLU 33 -16.045 -2.426 11.682 237 HB2 GLU 33 HB2 GLU 33 -18.372 -2.997 12.212 238 HB3 GLU 33 HB3 GLU 33 -18.473 -3.967 10.749 239 HG2 GLU 33 HG2 GLU 33 -18.154 -5.366 12.704 240 HG3 GLU 33 HG3 GLU 33 -16.767 -5.474 11.619 241 H ALA 34 HN ALA 34 -17.426 -3.742 8.672 242 HA ALA 34 HA ALA 34 -16.574 -5.118 7.072 243 HB1 ALA 34 HB1 ALA 34 -13.978 -3.801 7.859 244 HB2 ALA 34 HB2 ALA 34 -14.288 -4.675 6.358 245 HB3 ALA 34 HB3 ALA 34 -15.146 -3.171 6.697 246 HA PRO 35 HA PRO 35 -15.529 -8.362 10.236 247 HB2 PRO 35 HB2 PRO 35 -16.795 -9.911 8.024 248 HB3 PRO 35 HB3 PRO 35 -17.033 -10.042 9.770 249 HG2 PRO 35 HG2 PRO 35 -18.860 -8.859 8.241 250 HG3 PRO 35 HG3 PRO 35 -18.462 -8.215 9.845 251 HD2 PRO 35 HD2 PRO 35 -17.675 -7.212 7.146 252 HD3 PRO 35 HD3 PRO 35 -18.061 -6.304 8.621 Start of MODEL 17 1 H1 GLU 1 H1 GLU 1 17.930 5.880 8.402 2 H2 GLU 1 H2 GLU 1 19.483 5.788 7.739 3 H3 GLU 1 H3 GLU 1 18.217 6.453 6.835 4 HA GLU 1 HA GLU 1 19.337 7.583 9.332 5 HB2 GLU 1 HB2 GLU 1 19.569 8.522 6.465 6 HB3 GLU 1 HB3 GLU 1 20.182 9.380 7.871 7 HG2 GLU 1 HG2 GLU 1 21.709 7.539 8.340 8 HG3 GLU 1 HG3 GLU 1 21.089 6.665 6.941 9 H HIS 2 HN HIS 2 16.526 6.980 8.035 10 HA HIS 2 HA HIS 2 14.464 7.932 8.044 11 HB2 HIS 2 HB2 HIS 2 15.781 9.903 9.924 12 HB3 HIS 2 HB3 HIS 2 14.045 9.723 9.690 13 HD1 HIS 2 HD1 HIS 2 12.890 8.012 11.100 14 HD2 HIS 2 HD2 HIS 2 17.021 7.571 11.140 15 HE1 HIS 2 HE1 HIS 2 13.362 6.262 12.844 16 HE2 HIS 2 HE2 HIS 2 15.874 6.065 12.902 17 H LYS 3 HN LYS 3 16.759 9.002 6.276 18 HA LYS 3 HA LYS 3 15.741 11.660 5.646 19 HB2 LYS 3 HB2 LYS 3 18.088 10.082 4.590 20 HB3 LYS 3 HB3 LYS 3 17.629 11.666 3.981 21 HG2 LYS 3 HG2 LYS 3 18.378 11.080 6.838 22 HG3 LYS 3 HG3 LYS 3 19.472 11.739 5.620 23 HD2 LYS 3 HD2 LYS 3 16.888 13.036 6.484 24 HD3 LYS 3 HD3 LYS 3 18.480 13.465 7.111 25 HE2 LYS 3 HE2 LYS 3 19.203 14.081 4.857 26 HE3 LYS 3 HE3 LYS 3 17.617 13.639 4.225 27 HZ1 LYS 3 HZ1 LYS 3 17.812 16.025 4.560 28 HZ2 LYS 3 HZ2 LYS 3 18.144 15.792 6.202 29 HZ3 LYS 3 HZ3 LYS 3 16.628 15.375 5.579 30 H HIS 4 HN HIS 4 16.645 8.848 3.646 31 HA HIS 4 HA HIS 4 14.436 9.538 1.833 32 HB2 HIS 4 HB2 HIS 4 16.799 7.730 1.291 33 HB3 HIS 4 HB3 HIS 4 15.624 8.312 0.117 34 HD1 HIS 4 HD1 HIS 4 15.891 10.731 -0.731 35 HD2 HIS 4 HD2 HIS 4 18.774 9.582 2.032 36 HE1 HIS 4 HE1 HIS 4 17.665 12.511 -0.830 37 HE2 HIS 4 HE2 HIS 4 19.436 11.755 0.795 38 H SER 5 HN SER 5 14.704 7.754 4.413 39 HA SER 5 HA SER 5 13.560 5.287 3.325 40 HB2 SER 5 HB2 SER 5 15.391 5.045 4.951 41 HB3 SER 5 HB3 SER 5 14.455 5.948 6.142 42 HG SER 5 HG SER 5 13.775 3.446 4.987 43 H ASP 6 HN ASP 6 12.428 8.198 4.148 44 HA ASP 6 HA ASP 6 9.841 7.098 4.965 45 HB2 ASP 6 HB2 ASP 6 10.873 7.840 7.039 46 HB3 ASP 6 HB3 ASP 6 11.232 9.411 6.332 47 H GLU 7 HN GLU 7 8.645 7.583 3.231 48 HA GLU 7 HA GLU 7 8.016 10.302 2.650 49 HB2 GLU 7 HB2 GLU 7 10.223 9.894 1.419 50 HB3 GLU 7 HB3 GLU 7 9.316 8.806 0.377 51 HG2 GLU 7 HG2 GLU 7 8.601 11.696 0.792 52 HG3 GLU 7 HG3 GLU 7 9.637 11.119 -0.510 53 H SER 8 HN SER 8 8.109 7.380 0.618 54 HA SER 8 HA SER 8 5.166 7.465 0.520 55 HB2 SER 8 HB2 SER 8 6.259 7.882 -1.660 56 HB3 SER 8 HB3 SER 8 7.092 6.334 -1.527 57 HG SER 8 HG SER 8 5.197 5.278 -1.788 58 H THR 9 HN THR 9 7.049 6.151 2.433 59 HA THR 9 HA THR 9 7.533 4.124 3.376 60 HB THR 9 HB THR 9 5.462 4.542 4.440 61 HG1 THR 9 HG1 THR 9 6.242 2.364 4.607 62 HG21 THR 9 HG21 THR 9 4.091 3.445 1.981 63 HG22 THR 9 HG22 THR 9 4.101 5.128 2.507 64 HG23 THR 9 HG23 THR 9 3.288 3.904 3.482 65 H SER 10 HN SER 10 8.838 3.054 1.940 66 HA SER 10 HA SER 10 9.509 1.356 0.590 67 HB2 SER 10 HB2 SER 10 6.749 0.259 1.178 68 HB3 SER 10 HB3 SER 10 8.065 -0.648 0.431 69 HG SER 10 HG SER 10 8.795 -1.016 2.354 70 H GLU 11 HN GLU 11 7.782 3.697 -0.388 71 HA GLU 11 HA GLU 11 7.003 4.493 -2.368 72 HB2 GLU 11 HB2 GLU 11 8.466 2.105 -3.508 73 HB3 GLU 11 HB3 GLU 11 7.907 3.499 -4.423 74 HG2 GLU 11 HG2 GLU 11 9.962 3.556 -2.225 75 HG3 GLU 11 HG3 GLU 11 10.299 3.605 -3.955 76 H SEP 12 HN SER 12 5.596 2.190 -0.884 77 HA SEP 12 HA SER 12 3.777 0.836 -1.126 78 HB2 SEP 12 HB2 SER 12 1.920 1.825 -2.403 79 HB3 SEP 12 HB3 SER 12 2.733 3.040 -1.419 80 H PHE 13 HN PHE 13 5.566 -0.560 -2.237 81 HA PHE 13 HA PHE 13 4.324 -1.691 -4.604 82 HB2 PHE 13 HB2 PHE 13 6.575 0.018 -4.828 83 HB3 PHE 13 HB3 PHE 13 7.146 -1.621 -5.120 84 HD1 PHE 13 HD2 PHE 13 4.716 0.931 -6.222 85 HD2 PHE 13 HD1 PHE 13 6.657 -2.745 -7.130 86 HE1 PHE 13 HE2 PHE 13 3.838 1.040 -8.517 87 HE2 PHE 13 HE1 PHE 13 5.785 -2.642 -9.429 88 HZ PHE 13 HZ PHE 13 4.384 -0.742 -10.128 89 H GLU 14 HN GLU 14 6.880 -3.213 -5.101 90 HA GLU 14 HA GLU 14 7.705 -5.251 -4.567 91 HB2 GLU 14 HB2 GLU 14 7.471 -4.336 -1.706 92 HB3 GLU 14 HB3 GLU 14 8.619 -5.475 -2.388 93 HG2 GLU 14 HG2 GLU 14 9.736 -3.725 -3.588 94 HG3 GLU 14 HG3 GLU 14 8.520 -2.554 -3.082 95 H SER 15 HN SER 15 4.895 -5.100 -4.886 96 HA SER 15 HA SER 15 3.288 -6.226 -2.970 97 HB2 SER 15 HB2 SER 15 1.912 -7.096 -4.822 98 HB3 SER 15 HB3 SER 15 2.451 -5.447 -5.136 99 HG SER 15 HG SER 15 3.549 -7.838 -6.200 100 H ILE 16 HN ILE 16 2.844 -8.240 -2.201 101 HA ILE 16 HA ILE 16 4.649 -10.407 -3.064 102 HB ILE 16 HB ILE 16 3.383 -10.180 -0.337 103 HG12 ILE 16 HG12 ILE 16 5.905 -9.645 0.251 104 HG13 ILE 16 HG13 ILE 16 5.930 -9.026 -1.398 105 HG21 ILE 16 HG21 ILE 16 4.028 -12.419 -0.956 106 HG22 ILE 16 HG22 ILE 16 5.637 -11.862 -1.421 107 HG23 ILE 16 HG23 ILE 16 5.138 -11.807 0.270 108 HD11 ILE 16 HD11 ILE 16 5.477 -7.275 0.242 109 HD12 ILE 16 HD12 ILE 16 4.126 -7.494 -0.870 110 HD13 ILE 16 HD13 ILE 16 4.034 -8.143 0.767 111 H ALA 17 HN ALA 17 1.389 -9.511 -2.153 112 HA ALA 17 HA ALA 17 0.316 -11.778 -3.574 113 HB1 ALA 17 HB1 ALA 17 -0.239 -11.533 -0.616 114 HB2 ALA 17 HB2 ALA 17 -0.907 -12.737 -1.718 115 HB3 ALA 17 HB3 ALA 17 0.818 -12.737 -1.352 116 H ASP 18 HN ASP 18 -2.252 -11.613 -2.199 117 HA ASP 18 HA ASP 18 -3.110 -8.936 -3.076 118 HB2 ASP 18 HB2 ASP 18 -3.853 -10.821 -4.563 119 HB3 ASP 18 HB3 ASP 18 -4.745 -11.482 -3.196 120 H ASN 19 HN ASN 19 -2.435 -10.532 -0.465 121 HA ASN 19 HA ASN 19 -4.590 -9.324 1.108 122 HB2 ASN 19 HB2 ASN 19 -4.337 -11.374 2.656 123 HB3 ASN 19 HB3 ASN 19 -5.259 -11.570 1.170 124 HD21 ASN 19 HD21 ASN 19 -1.759 -11.377 1.286 125 HD22 ASN 19 HD22 ASN 19 -1.470 -13.013 0.820 126 H ASN 20 HN ASN 20 -1.407 -9.498 0.414 127 HA ASN 20 HA ASN 20 -0.609 -8.687 3.135 128 HB2 ASN 20 HB2 ASN 20 0.439 -10.815 2.269 129 HB3 ASN 20 HB3 ASN 20 1.219 -9.843 1.025 130 HD21 ASN 20 HD21 ASN 20 0.642 -8.703 4.267 131 HD22 ASN 20 HD22 ASN 20 2.295 -8.672 4.759 132 H ASP 21 HN ASP 21 -0.791 -7.888 -0.183 133 HA ASP 21 HA ASP 21 0.794 -5.471 0.223 134 HB2 ASP 21 HB2 ASP 21 1.603 -6.791 -1.648 135 HB3 ASP 21 HB3 ASP 21 -0.017 -6.865 -2.333 136 H ASP 22 HN ASP 22 -2.263 -6.741 -0.978 137 HA ASP 22 HA ASP 22 -3.384 -4.110 -1.365 138 HB2 ASP 22 HB2 ASP 22 -4.461 -6.917 -1.548 139 HB3 ASP 22 HB3 ASP 22 -5.526 -5.517 -1.668 140 H SER 23 HN SER 23 -2.418 -5.456 1.269 141 HA SER 23 HA SER 23 -4.818 -5.152 2.902 142 HB2 SER 23 HB2 SER 23 -3.338 -7.146 3.217 143 HB3 SER 23 HB3 SER 23 -2.054 -6.058 3.738 144 HG SER 23 HG SER 23 -3.441 -5.382 5.440 145 H TYR 24 HN TYR 24 -1.424 -4.006 2.887 146 HA TYR 24 HA TYR 24 -2.408 -1.543 4.165 147 HB2 TYR 24 HB2 TYR 24 -0.364 -1.451 5.538 148 HB3 TYR 24 HB3 TYR 24 -1.362 -2.852 5.901 149 HD1 TYR 24 HD1 TYR 24 -0.614 -5.102 5.278 150 HD2 TYR 24 HD2 TYR 24 1.833 -1.693 4.579 151 HE1 TYR 24 HE1 TYR 24 1.331 -6.572 4.960 152 HE2 TYR 24 HE2 TYR 24 3.785 -3.154 4.259 153 HH TYR 24 HH TYR 24 3.521 -6.514 3.854 154 H PHE 25 HN PHE 25 -0.625 -2.879 1.607 155 HA PHE 25 HA PHE 25 1.030 -0.511 1.237 156 HB2 PHE 25 HB2 PHE 25 0.794 -3.132 -0.202 157 HB3 PHE 25 HB3 PHE 25 1.561 -1.767 -0.997 158 HD1 PHE 25 HD2 PHE 25 2.950 -0.541 1.319 159 HD2 PHE 25 HD1 PHE 25 2.577 -4.611 0.137 160 HE1 PHE 25 HE2 PHE 25 5.060 -1.060 2.465 161 HE2 PHE 25 HE1 PHE 25 4.686 -5.142 1.289 162 HZ PHE 25 HZ PHE 25 5.959 -3.412 2.378 163 H GLN 26 HN GLN 26 -1.787 -2.054 -0.196 164 HA GLN 26 HA GLN 26 -2.195 0.348 -1.853 165 HB2 GLN 26 HB2 GLN 26 -3.161 -2.476 -2.340 166 HB3 GLN 26 HB3 GLN 26 -3.529 -1.090 -3.354 167 HG2 GLN 26 HG2 GLN 26 -0.773 -2.183 -2.843 168 HG3 GLN 26 HG3 GLN 26 -1.748 -2.498 -4.277 169 HE21 GLN 26 HE21 GLN 26 0.159 -0.171 -2.557 170 HE22 GLN 26 HE22 GLN 26 0.279 0.985 -3.834 171 H ARG 27 HN ARG 27 -3.605 -1.922 0.394 172 HA ARG 27 HA ARG 27 -5.523 -1.935 1.597 173 HB2 ARG 27 HB2 ARG 27 -4.439 0.435 2.029 174 HB3 ARG 27 HB3 ARG 27 -5.878 0.998 1.189 175 HG2 ARG 27 HG2 ARG 27 -7.275 -0.185 2.816 176 HG3 ARG 27 HG3 ARG 27 -5.819 -0.710 3.663 177 HD2 ARG 27 HD2 ARG 27 -5.220 1.649 4.044 178 HD3 ARG 27 HD3 ARG 27 -6.713 2.142 3.244 179 HE ARG 27 HE ARG 27 -7.269 0.365 5.376 180 HH11 ARG 27 HH12 ARG 27 -6.319 3.655 4.723 181 HH12 ARG 27 HH11 ARG 27 -7.004 4.279 6.186 182 HH21 ARG 27 HH22 ARG 27 -8.173 1.179 7.305 183 HH22 ARG 27 HH21 ARG 27 -8.057 2.872 7.653 184 H LYS 28 HN LYS 28 -6.801 -3.091 0.173 185 HA LYS 28 HA LYS 28 -8.818 -1.499 -1.252 186 HB2 LYS 28 HB2 LYS 28 -7.112 -3.696 -2.308 187 HB3 LYS 28 HB3 LYS 28 -8.796 -3.677 -2.811 188 HG2 LYS 28 HG2 LYS 28 -7.637 -2.511 -4.475 189 HG3 LYS 28 HG3 LYS 28 -8.412 -1.265 -3.496 190 HD2 LYS 28 HD2 LYS 28 -6.359 -0.764 -2.383 191 HD3 LYS 28 HD3 LYS 28 -5.562 -2.161 -3.108 192 HE2 LYS 28 HE2 LYS 28 -6.624 0.229 -4.612 193 HE3 LYS 28 HE3 LYS 28 -4.931 -0.051 -4.206 194 HZ1 LYS 28 HZ1 LYS 28 -5.010 -2.089 -5.528 195 HZ2 LYS 28 HZ2 LYS 28 -5.381 -0.730 -6.464 196 HZ3 LYS 28 HZ3 LYS 28 -6.617 -1.766 -5.950 197 HA PRO 29 HA PRO 29 -10.803 -4.389 1.784 198 HB2 PRO 29 HB2 PRO 29 -12.758 -2.178 1.871 199 HB3 PRO 29 HB3 PRO 29 -11.936 -3.003 3.199 200 HG2 PRO 29 HG2 PRO 29 -11.276 -0.507 2.521 201 HG3 PRO 29 HG3 PRO 29 -10.037 -1.678 3.021 202 HD2 PRO 29 HD2 PRO 29 -10.794 -0.789 0.257 203 HD3 PRO 29 HD3 PRO 29 -9.177 -1.021 0.961 204 H LYS 30 HN LYS 30 -12.076 -2.548 -0.927 205 HA LYS 30 HA LYS 30 -13.548 -4.821 -1.860 206 HB2 LYS 30 HB2 LYS 30 -15.726 -3.397 -1.954 207 HB3 LYS 30 HB3 LYS 30 -15.307 -4.244 -0.471 208 HG2 LYS 30 HG2 LYS 30 -16.051 -2.075 0.129 209 HG3 LYS 30 HG3 LYS 30 -14.303 -2.114 0.366 210 HD2 LYS 30 HD2 LYS 30 -13.991 -0.981 -1.784 211 HD3 LYS 30 HD3 LYS 30 -15.740 -0.947 -2.020 212 HE2 LYS 30 HE2 LYS 30 -14.235 0.385 0.230 213 HE3 LYS 30 HE3 LYS 30 -14.886 1.197 -1.193 214 HZ1 LYS 30 HZ1 LYS 30 -17.105 0.555 -0.513 215 HZ2 LYS 30 HZ2 LYS 30 -16.346 1.418 0.727 216 HZ3 LYS 30 HZ3 LYS 30 -16.492 -0.263 0.835 217 H LEU 31 HN LEU 31 -14.882 -4.187 -3.858 218 HA LEU 31 HA LEU 31 -13.304 -2.250 -5.417 219 HB2 LEU 31 HB2 LEU 31 -14.912 -4.608 -6.406 220 HB3 LEU 31 HB3 LEU 31 -13.935 -3.540 -7.394 221 HG LEU 31 HG LEU 31 -12.843 -5.344 -5.235 222 HD11 LEU 31 HD11 LEU 31 -12.006 -6.720 -7.065 223 HD12 LEU 31 HD12 LEU 31 -13.767 -6.631 -7.092 224 HD13 LEU 31 HD13 LEU 31 -12.819 -5.676 -8.232 225 HD21 LEU 31 HD21 LEU 31 -11.491 -3.347 -5.642 226 HD22 LEU 31 HD22 LEU 31 -10.675 -4.803 -6.210 227 HD23 LEU 31 HD23 LEU 31 -11.454 -3.720 -7.364 228 H THR 32 HN THR 32 -16.014 -2.241 -3.770 229 HA THR 32 HA THR 32 -17.789 -1.183 -5.829 230 HB THR 32 HB THR 32 -18.280 -1.617 -2.877 231 HG1 THR 32 HG1 THR 32 -18.297 -3.613 -3.696 232 HG21 THR 32 HG21 THR 32 -19.705 0.149 -3.770 233 HG22 THR 32 HG22 THR 32 -20.652 -1.304 -3.451 234 HG23 THR 32 HG23 THR 32 -20.190 -0.897 -5.104 235 H GLU 33 HN GLU 33 -18.066 0.912 -6.204 236 HA GLU 33 HA GLU 33 -16.732 2.843 -4.465 237 HB2 GLU 33 HB2 GLU 33 -18.036 3.289 -7.156 238 HB3 GLU 33 HB3 GLU 33 -17.004 4.420 -6.293 239 HG2 GLU 33 HG2 GLU 33 -16.169 1.759 -7.423 240 HG3 GLU 33 HG3 GLU 33 -15.802 3.345 -8.100 241 H ALA 34 HN ALA 34 -17.896 4.990 -4.188 242 HA ALA 34 HA ALA 34 -20.797 4.730 -3.988 243 HB1 ALA 34 HB1 ALA 34 -19.924 3.937 -1.833 244 HB2 ALA 34 HB2 ALA 34 -19.086 5.474 -1.616 245 HB3 ALA 34 HB3 ALA 34 -20.850 5.430 -1.663 246 HA PRO 35 HA PRO 35 -20.708 8.951 -5.279 247 HB2 PRO 35 HB2 PRO 35 -23.003 9.898 -4.164 248 HB3 PRO 35 HB3 PRO 35 -22.979 8.842 -5.581 249 HG2 PRO 35 HG2 PRO 35 -23.462 8.150 -2.709 250 HG3 PRO 35 HG3 PRO 35 -24.315 7.581 -4.157 251 HD2 PRO 35 HD2 PRO 35 -22.441 6.089 -2.915 252 HD3 PRO 35 HD3 PRO 35 -22.676 6.040 -4.674 Start of MODEL 18 1 H1 GLU 1 H1 GLU 1 15.072 -2.823 6.370 2 H2 GLU 1 H2 GLU 1 13.734 -2.813 7.403 3 H3 GLU 1 H3 GLU 1 14.140 -1.422 6.532 4 HA GLU 1 HA GLU 1 13.638 -2.503 4.460 5 HB2 GLU 1 HB2 GLU 1 14.255 -4.788 5.278 6 HB3 GLU 1 HB3 GLU 1 12.739 -4.833 6.168 7 HG2 GLU 1 HG2 GLU 1 12.507 -6.057 4.117 8 HG3 GLU 1 HG3 GLU 1 11.515 -4.602 4.045 9 H HIS 2 HN HIS 2 12.050 -2.361 7.547 10 HA HIS 2 HA HIS 2 9.657 -1.297 6.220 11 HB2 HIS 2 HB2 HIS 2 9.667 -3.273 8.510 12 HB3 HIS 2 HB3 HIS 2 8.238 -2.443 7.906 13 HD1 HIS 2 HD1 HIS 2 7.158 -3.346 5.786 14 HD2 HIS 2 HD2 HIS 2 10.703 -5.276 6.778 15 HE1 HIS 2 HE1 HIS 2 7.270 -5.361 4.285 16 HE2 HIS 2 HE2 HIS 2 9.405 -6.534 4.927 17 H LYS 3 HN LYS 3 11.911 -1.245 8.829 18 HA LYS 3 HA LYS 3 10.419 0.798 10.285 19 HB2 LYS 3 HB2 LYS 3 13.074 -0.507 10.911 20 HB3 LYS 3 HB3 LYS 3 12.211 0.607 11.961 21 HG2 LYS 3 HG2 LYS 3 11.178 -2.078 11.071 22 HG3 LYS 3 HG3 LYS 3 11.942 -1.745 12.626 23 HD2 LYS 3 HD2 LYS 3 9.438 -0.393 11.624 24 HD3 LYS 3 HD3 LYS 3 9.458 -1.775 12.720 25 HE2 LYS 3 HE2 LYS 3 10.719 0.912 13.256 26 HE3 LYS 3 HE3 LYS 3 9.186 0.349 13.920 27 HZ1 LYS 3 HZ1 LYS 3 10.371 -1.443 15.031 28 HZ2 LYS 3 HZ2 LYS 3 10.985 0.061 15.501 29 HZ3 LYS 3 HZ3 LYS 3 11.841 -0.894 14.399 30 H HIS 4 HN HIS 4 12.466 0.725 7.706 31 HA HIS 4 HA HIS 4 13.744 3.283 8.390 32 HB2 HIS 4 HB2 HIS 4 14.399 1.310 6.191 33 HB3 HIS 4 HB3 HIS 4 15.247 2.826 6.476 34 HD1 HIS 4 HD1 HIS 4 15.169 -0.691 7.485 35 HD2 HIS 4 HD2 HIS 4 16.707 2.866 8.988 36 HE1 HIS 4 HE1 HIS 4 16.843 -1.368 9.235 37 HE2 HIS 4 HE2 HIS 4 17.751 0.800 10.141 38 H SER 5 HN SER 5 12.507 4.945 7.801 39 HA SER 5 HA SER 5 11.301 4.885 5.112 40 HB2 SER 5 HB2 SER 5 9.561 4.777 6.837 41 HB3 SER 5 HB3 SER 5 10.211 6.230 7.597 42 HG SER 5 HG SER 5 9.250 6.116 4.931 43 H ASP 6 HN ASP 6 12.347 6.226 3.809 44 HA ASP 6 HA ASP 6 13.437 8.718 4.939 45 HB2 ASP 6 HB2 ASP 6 15.193 7.275 4.085 46 HB3 ASP 6 HB3 ASP 6 14.361 7.126 2.539 47 H GLU 7 HN GLU 7 12.601 7.602 1.651 48 HA GLU 7 HA GLU 7 10.426 9.390 1.324 49 HB2 GLU 7 HB2 GLU 7 12.080 11.147 1.315 50 HB3 GLU 7 HB3 GLU 7 13.089 10.258 0.182 51 HG2 GLU 7 HG2 GLU 7 11.417 10.529 -1.556 52 HG3 GLU 7 HG3 GLU 7 10.356 11.367 -0.424 53 H SER 8 HN SER 8 9.269 7.965 0.163 54 HA SER 8 HA SER 8 8.644 6.567 -1.512 55 HB2 SER 8 HB2 SER 8 10.981 7.820 -2.991 56 HB3 SER 8 HB3 SER 8 9.715 6.837 -3.726 57 HG SER 8 HG SER 8 9.376 9.332 -2.416 58 H THR 9 HN THR 9 10.961 6.147 0.459 59 HA THR 9 HA THR 9 12.903 4.461 -0.455 60 HB THR 9 HB THR 9 12.814 5.188 1.871 61 HG1 THR 9 HG1 THR 9 12.823 2.687 2.634 62 HG21 THR 9 HG21 THR 9 11.281 4.146 3.467 63 HG22 THR 9 HG22 THR 9 10.510 3.254 2.156 64 HG23 THR 9 HG23 THR 9 10.390 5.013 2.216 65 H SER 10 HN SER 10 9.526 3.895 -0.008 66 HA SER 10 HA SER 10 9.631 1.433 -1.501 67 HB2 SER 10 HB2 SER 10 8.673 1.472 1.371 68 HB3 SER 10 HB3 SER 10 8.351 0.159 0.238 69 HG SER 10 HG SER 10 10.342 -0.514 0.455 70 H GLU 11 HN GLU 11 8.244 4.298 -0.664 71 HA GLU 11 HA GLU 11 6.297 5.347 -1.183 72 HB2 GLU 11 HB2 GLU 11 5.915 2.983 -3.030 73 HB3 GLU 11 HB3 GLU 11 4.995 4.480 -3.091 74 HG2 GLU 11 HG2 GLU 11 7.070 5.708 -3.577 75 HG3 GLU 11 HG3 GLU 11 7.949 4.179 -3.581 76 H SEP 12 HN SER 12 3.747 4.585 -1.664 77 HA SEP 12 HA SER 12 3.030 3.307 0.860 78 HB2 SEP 12 HB2 SER 12 2.015 5.491 0.294 79 HB3 SEP 12 HB3 SER 12 1.286 4.769 -1.140 80 H PHE 13 HN PHE 13 4.042 1.693 -1.328 81 HA PHE 13 HA PHE 13 2.127 -0.387 -1.280 82 HB2 PHE 13 HB2 PHE 13 1.560 -0.502 -3.656 83 HB3 PHE 13 HB3 PHE 13 1.004 1.015 -2.960 84 HD1 PHE 13 HD2 PHE 13 2.226 3.115 -3.448 85 HD2 PHE 13 HD1 PHE 13 3.152 -0.547 -5.409 86 HE1 PHE 13 HE2 PHE 13 3.424 4.360 -5.199 87 HE2 PHE 13 HE1 PHE 13 4.356 0.691 -7.161 88 HZ PHE 13 HZ PHE 13 4.475 3.141 -7.074 89 H GLU 14 HN GLU 14 2.873 -2.320 -2.388 90 HA GLU 14 HA GLU 14 5.443 -2.354 -3.628 91 HB2 GLU 14 HB2 GLU 14 6.131 -2.143 -1.290 92 HB3 GLU 14 HB3 GLU 14 5.152 -3.540 -0.864 93 HG2 GLU 14 HG2 GLU 14 6.549 -4.956 -2.265 94 HG3 GLU 14 HG3 GLU 14 7.521 -3.557 -2.716 95 H SER 15 HN SER 15 2.793 -4.084 -2.129 96 HA SER 15 HA SER 15 1.791 -6.077 -2.542 97 HB2 SER 15 HB2 SER 15 1.420 -6.623 -4.906 98 HB3 SER 15 HB3 SER 15 1.206 -4.898 -4.614 99 HG SER 15 HG SER 15 2.452 -5.223 -6.466 100 H ILE 16 HN ILE 16 2.851 -7.659 -1.509 101 HA ILE 16 HA ILE 16 5.285 -8.787 -2.655 102 HB ILE 16 HB ILE 16 3.868 -9.556 -0.097 103 HG12 ILE 16 HG12 ILE 16 5.985 -8.322 0.852 104 HG13 ILE 16 HG13 ILE 16 5.957 -7.494 -0.701 105 HG21 ILE 16 HG21 ILE 16 5.283 -11.326 -0.932 106 HG22 ILE 16 HG22 ILE 16 6.625 -10.200 -1.130 107 HG23 ILE 16 HG23 ILE 16 6.030 -10.588 0.484 108 HD11 ILE 16 HD11 ILE 16 3.811 -6.580 -0.261 109 HD12 ILE 16 HD12 ILE 16 3.603 -7.602 1.162 110 HD13 ILE 16 HD13 ILE 16 4.804 -6.310 1.171 111 H ALA 17 HN ALA 17 1.914 -9.464 -2.269 112 HA ALA 17 HA ALA 17 2.149 -11.786 -3.991 113 HB1 ALA 17 HB1 ALA 17 0.901 -11.987 -1.251 114 HB2 ALA 17 HB2 ALA 17 0.856 -13.239 -2.493 115 HB3 ALA 17 HB3 ALA 17 2.396 -12.763 -1.777 116 H ASP 18 HN ASP 18 -0.723 -11.784 -2.193 117 HA ASP 18 HA ASP 18 -2.235 -9.748 -3.336 118 HB2 ASP 18 HB2 ASP 18 -3.506 -11.004 -5.063 119 HB3 ASP 18 HB3 ASP 18 -1.813 -10.781 -5.495 120 H ASN 19 HN ASN 19 -1.913 -11.375 -0.918 121 HA ASN 19 HA ASN 19 -4.729 -12.143 -0.582 122 HB2 ASN 19 HB2 ASN 19 -3.815 -13.912 1.066 123 HB3 ASN 19 HB3 ASN 19 -3.733 -14.249 -0.659 124 HD21 ASN 19 HD21 ASN 19 -1.606 -12.001 0.976 125 HD22 ASN 19 HD22 ASN 19 -0.169 -12.942 0.804 126 H ASN 20 HN ASN 20 -2.111 -10.318 0.509 127 HA ASN 20 HA ASN 20 -3.659 -9.382 2.770 128 HB2 ASN 20 HB2 ASN 20 -2.347 -11.245 3.720 129 HB3 ASN 20 HB3 ASN 20 -0.867 -10.469 3.166 130 HD21 ASN 20 HD21 ASN 20 -0.231 -8.501 4.125 131 HD22 ASN 20 HD22 ASN 20 -0.785 -8.057 5.700 132 H ASP 21 HN ASP 21 -0.641 -9.177 0.939 133 HA ASP 21 HA ASP 21 0.228 -6.669 1.747 134 HB2 ASP 21 HB2 ASP 21 1.349 -6.566 -0.500 135 HB3 ASP 21 HB3 ASP 21 1.659 -8.049 0.400 136 H ASP 22 HN ASP 22 -2.158 -7.582 -0.668 137 HA ASP 22 HA ASP 22 -2.575 -4.893 -1.582 138 HB2 ASP 22 HB2 ASP 22 -3.921 -7.535 -2.064 139 HB3 ASP 22 HB3 ASP 22 -4.659 -6.038 -2.634 140 H SER 23 HN SER 23 -2.942 -5.702 1.328 141 HA SER 23 HA SER 23 -5.604 -4.498 1.648 142 HB2 SER 23 HB2 SER 23 -5.689 -6.928 2.152 143 HB3 SER 23 HB3 SER 23 -4.460 -6.690 3.392 144 HG SER 23 HG SER 23 -6.866 -6.633 3.939 145 H TYR 24 HN TYR 24 -2.451 -5.132 3.201 146 HA TYR 24 HA TYR 24 -2.949 -2.864 4.983 147 HB2 TYR 24 HB2 TYR 24 -1.429 -3.760 6.464 148 HB3 TYR 24 HB3 TYR 24 -2.086 -5.212 5.729 149 HD1 TYR 24 HD2 TYR 24 -0.745 -6.190 3.730 150 HD2 TYR 24 HD1 TYR 24 0.876 -3.445 6.546 151 HE1 TYR 24 HE2 TYR 24 1.526 -6.904 3.110 152 HE2 TYR 24 HE1 TYR 24 3.149 -4.148 5.930 153 HH TYR 24 HH TYR 24 3.824 -6.001 3.181 154 H PHE 25 HN PHE 25 -1.915 -3.050 2.000 155 HA PHE 25 HA PHE 25 0.114 -0.951 2.386 156 HB2 PHE 25 HB2 PHE 25 0.479 -3.505 1.130 157 HB3 PHE 25 HB3 PHE 25 0.665 -2.235 -0.074 158 HD1 PHE 25 HD2 PHE 25 2.129 -0.172 0.813 159 HD2 PHE 25 HD1 PHE 25 2.356 -4.172 2.246 160 HE1 PHE 25 HE2 PHE 25 4.415 0.251 1.618 161 HE2 PHE 25 HE1 PHE 25 4.643 -3.757 3.055 162 HZ PHE 25 HZ PHE 25 5.676 -1.543 2.740 163 H GLN 26 HN GLN 26 -2.074 -2.441 0.004 164 HA GLN 26 HA GLN 26 -2.376 0.183 -1.279 165 HB2 GLN 26 HB2 GLN 26 -3.071 -2.592 -2.256 166 HB3 GLN 26 HB3 GLN 26 -3.401 -1.113 -3.149 167 HG2 GLN 26 HG2 GLN 26 -1.029 -0.634 -3.282 168 HG3 GLN 26 HG3 GLN 26 -0.668 -2.066 -2.320 169 HE21 GLN 26 HE21 GLN 26 -1.699 -0.869 -5.412 170 HE22 GLN 26 HE22 GLN 26 -1.492 -2.346 -6.283 171 H ARG 27 HN ARG 27 -4.055 -2.211 0.559 172 HA ARG 27 HA ARG 27 -6.142 -2.326 1.441 173 HB2 ARG 27 HB2 ARG 27 -6.124 0.644 0.877 174 HB3 ARG 27 HB3 ARG 27 -7.305 -0.182 1.884 175 HG2 ARG 27 HG2 ARG 27 -5.515 -0.862 3.412 176 HG3 ARG 27 HG3 ARG 27 -4.345 -0.002 2.409 177 HD2 ARG 27 HD2 ARG 27 -5.467 2.099 2.849 178 HD3 ARG 27 HD3 ARG 27 -6.719 1.267 3.770 179 HE ARG 27 HE ARG 27 -4.028 0.882 4.747 180 HH11 ARG 27 HH12 ARG 27 -6.941 2.786 4.929 181 HH12 ARG 27 HH11 ARG 27 -6.591 3.405 6.509 182 HH21 ARG 27 HH22 ARG 27 -3.561 1.690 6.825 183 HH22 ARG 27 HH21 ARG 27 -4.669 2.784 7.586 184 H LYS 28 HN LYS 28 -6.659 -3.576 -0.523 185 HA LYS 28 HA LYS 28 -8.700 -2.228 -2.120 186 HB2 LYS 28 HB2 LYS 28 -6.821 -4.413 -2.979 187 HB3 LYS 28 HB3 LYS 28 -8.151 -3.783 -3.952 188 HG2 LYS 28 HG2 LYS 28 -5.866 -2.163 -2.903 189 HG3 LYS 28 HG3 LYS 28 -5.998 -2.779 -4.554 190 HD2 LYS 28 HD2 LYS 28 -8.158 -1.529 -4.724 191 HD3 LYS 28 HD3 LYS 28 -7.788 -0.815 -3.153 192 HE2 LYS 28 HE2 LYS 28 -6.067 -0.586 -5.625 193 HE3 LYS 28 HE3 LYS 28 -7.166 0.660 -5.034 194 HZ1 LYS 28 HZ1 LYS 28 -4.833 -0.414 -3.544 195 HZ2 LYS 28 HZ2 LYS 28 -5.873 0.809 -3.010 196 HZ3 LYS 28 HZ3 LYS 28 -4.880 1.071 -4.354 197 HA PRO 29 HA PRO 29 -10.732 -5.727 0.162 198 HB2 PRO 29 HB2 PRO 29 -12.924 -3.842 0.559 199 HB3 PRO 29 HB3 PRO 29 -11.965 -4.703 1.765 200 HG2 PRO 29 HG2 PRO 29 -11.779 -2.028 1.403 201 HG3 PRO 29 HG3 PRO 29 -10.403 -3.021 1.918 202 HD2 PRO 29 HD2 PRO 29 -11.058 -1.964 -0.811 203 HD3 PRO 29 HD3 PRO 29 -9.493 -2.018 0.027 204 H LYS 30 HN LYS 30 -12.014 -3.390 -2.145 205 HA LYS 30 HA LYS 30 -13.906 -5.402 -3.144 206 HB2 LYS 30 HB2 LYS 30 -14.875 -3.438 -4.407 207 HB3 LYS 30 HB3 LYS 30 -15.021 -3.364 -2.657 208 HG2 LYS 30 HG2 LYS 30 -13.216 -1.798 -2.509 209 HG3 LYS 30 HG3 LYS 30 -12.864 -1.973 -4.228 210 HD2 LYS 30 HD2 LYS 30 -15.064 -1.034 -4.766 211 HD3 LYS 30 HD3 LYS 30 -15.406 -0.854 -3.042 212 HE2 LYS 30 HE2 LYS 30 -13.152 0.483 -4.536 213 HE3 LYS 30 HE3 LYS 30 -14.666 1.254 -4.064 214 HZ1 LYS 30 HZ1 LYS 30 -14.107 0.860 -1.749 215 HZ2 LYS 30 HZ2 LYS 30 -12.889 1.757 -2.506 216 HZ3 LYS 30 HZ3 LYS 30 -12.658 0.110 -2.198 217 H LEU 31 HN LEU 31 -14.079 -5.770 -5.425 218 HA LEU 31 HA LEU 31 -11.546 -5.279 -6.847 219 HB2 LEU 31 HB2 LEU 31 -13.551 -7.495 -7.276 220 HB3 LEU 31 HB3 LEU 31 -12.042 -7.294 -8.146 221 HG LEU 31 HG LEU 31 -12.284 -7.857 -5.188 222 HD11 LEU 31 HD11 LEU 31 -11.455 -9.649 -7.466 223 HD12 LEU 31 HD12 LEU 31 -11.413 -10.065 -5.752 224 HD13 LEU 31 HD13 LEU 31 -12.957 -9.764 -6.550 225 HD21 LEU 31 HD21 LEU 31 -9.869 -7.692 -6.986 226 HD22 LEU 31 HD22 LEU 31 -10.301 -6.555 -5.709 227 HD23 LEU 31 HD23 LEU 31 -9.860 -8.213 -5.302 228 H THR 32 HN THR 32 -15.060 -5.475 -7.258 229 HA THR 32 HA THR 32 -14.789 -3.907 -9.739 230 HB THR 32 HB THR 32 -17.062 -4.758 -10.320 231 HG1 THR 32 HG1 THR 32 -16.960 -5.651 -7.794 232 HG21 THR 32 HG21 THR 32 -14.952 -6.863 -9.829 233 HG22 THR 32 HG22 THR 32 -15.080 -5.825 -11.250 234 HG23 THR 32 HG23 THR 32 -16.326 -7.028 -10.922 235 H GLU 33 HN GLU 33 -16.381 -2.263 -10.147 236 HA GLU 33 HA GLU 33 -16.930 -0.675 -7.845 237 HB2 GLU 33 HB2 GLU 33 -16.374 0.320 -10.020 238 HB3 GLU 33 HB3 GLU 33 -17.854 -0.335 -10.704 239 HG2 GLU 33 HG2 GLU 33 -19.174 1.043 -9.185 240 HG3 GLU 33 HG3 GLU 33 -17.692 1.697 -8.490 241 H ALA 34 HN ALA 34 -18.872 -0.159 -6.886 242 HA ALA 34 HA ALA 34 -21.356 -1.256 -7.846 243 HB1 ALA 34 HB1 ALA 34 -21.824 -2.614 -5.868 244 HB2 ALA 34 HB2 ALA 34 -20.410 -3.211 -6.736 245 HB3 ALA 34 HB3 ALA 34 -20.206 -2.279 -5.253 246 HA PRO 35 HA PRO 35 -22.517 2.445 -5.627 247 HB2 PRO 35 HB2 PRO 35 -25.150 2.429 -6.174 248 HB3 PRO 35 HB3 PRO 35 -23.942 2.807 -7.409 249 HG2 PRO 35 HG2 PRO 35 -25.410 0.246 -6.913 250 HG3 PRO 35 HG3 PRO 35 -25.045 1.047 -8.451 251 HD2 PRO 35 HD2 PRO 35 -23.602 -1.053 -7.454 252 HD3 PRO 35 HD3 PRO 35 -22.929 0.174 -8.544 Start of MODEL 19 1 H1 GLU 1 H1 GLU 1 26.243 -5.781 -3.519 2 H2 GLU 1 H2 GLU 1 24.786 -6.519 -3.960 3 H3 GLU 1 H3 GLU 1 24.940 -5.799 -2.438 4 HA GLU 1 HA GLU 1 25.178 -3.631 -3.438 5 HB2 GLU 1 HB2 GLU 1 26.210 -4.374 -5.537 6 HB3 GLU 1 HB3 GLU 1 24.700 -5.130 -6.023 7 HG2 GLU 1 HG2 GLU 1 25.057 -2.989 -7.139 8 HG3 GLU 1 HG3 GLU 1 23.613 -2.972 -6.128 9 H HIS 2 HN HIS 2 23.406 -3.032 -2.355 10 HA HIS 2 HA HIS 2 20.831 -3.397 -3.642 11 HB2 HIS 2 HB2 HIS 2 19.766 -4.119 -1.483 12 HB3 HIS 2 HB3 HIS 2 20.819 -5.325 -2.217 13 HD1 HIS 2 HD1 HIS 2 20.588 -3.003 0.717 14 HD2 HIS 2 HD2 HIS 2 23.079 -5.998 -0.730 15 HE1 HIS 2 HE1 HIS 2 22.154 -3.548 2.609 16 HE2 HIS 2 HE2 HIS 2 23.663 -5.351 1.706 17 H LYS 3 HN LYS 3 19.571 -1.637 -3.433 18 HA LYS 3 HA LYS 3 19.669 0.112 -1.187 19 HB2 LYS 3 HB2 LYS 3 20.638 2.058 -2.180 20 HB3 LYS 3 HB3 LYS 3 21.775 0.737 -2.396 21 HG2 LYS 3 HG2 LYS 3 19.862 1.690 -4.519 22 HG3 LYS 3 HG3 LYS 3 21.542 2.209 -4.377 23 HD2 LYS 3 HD2 LYS 3 22.245 -0.156 -4.608 24 HD3 LYS 3 HD3 LYS 3 20.556 -0.603 -4.855 25 HE2 LYS 3 HE2 LYS 3 20.476 0.862 -6.828 26 HE3 LYS 3 HE3 LYS 3 22.178 1.256 -6.589 27 HZ1 LYS 3 HZ1 LYS 3 22.716 -1.087 -6.903 28 HZ2 LYS 3 HZ2 LYS 3 21.919 -0.456 -8.256 29 HZ3 LYS 3 HZ3 LYS 3 21.084 -1.444 -7.166 30 H HIS 4 HN HIS 4 18.105 1.809 -1.298 31 HA HIS 4 HA HIS 4 16.482 2.253 -3.579 32 HB2 HIS 4 HB2 HIS 4 15.655 0.008 -3.057 33 HB3 HIS 4 HB3 HIS 4 15.294 0.509 -1.409 34 HD1 HIS 4 HD1 HIS 4 14.024 0.717 -4.906 35 HD2 HIS 4 HD2 HIS 4 12.977 2.089 -1.125 36 HE1 HIS 4 HE1 HIS 4 11.667 1.564 -5.128 37 HE2 HIS 4 HE2 HIS 4 11.048 2.376 -2.824 38 H SER 5 HN SER 5 16.252 4.369 -3.272 39 HA SER 5 HA SER 5 14.758 5.317 -0.995 40 HB2 SER 5 HB2 SER 5 17.592 6.277 -1.458 41 HB3 SER 5 HB3 SER 5 16.443 7.025 -0.348 42 HG SER 5 HG SER 5 16.444 5.152 0.874 43 H ASP 6 HN ASP 6 13.420 5.599 -2.970 44 HA ASP 6 HA ASP 6 14.165 7.621 -4.864 45 HB2 ASP 6 HB2 ASP 6 12.642 5.713 -5.401 46 HB3 ASP 6 HB3 ASP 6 11.429 6.436 -4.350 47 H GLU 7 HN GLU 7 12.046 7.449 -2.039 48 HA GLU 7 HA GLU 7 12.349 10.182 -1.405 49 HB2 GLU 7 HB2 GLU 7 10.839 10.350 -3.426 50 HB3 GLU 7 HB3 GLU 7 9.616 9.494 -2.499 51 HG2 GLU 7 HG2 GLU 7 10.854 12.077 -1.591 52 HG3 GLU 7 HG3 GLU 7 9.400 11.997 -2.583 53 H SER 8 HN SER 8 9.514 8.038 -1.271 54 HA SER 8 HA SER 8 9.647 8.160 1.658 55 HB2 SER 8 HB2 SER 8 7.274 7.279 1.503 56 HB3 SER 8 HB3 SER 8 7.518 8.894 0.839 57 HG SER 8 HG SER 8 7.771 7.774 -1.242 58 H THR 9 HN THR 9 11.062 6.421 -0.447 59 HA THR 9 HA THR 9 11.753 4.288 -0.742 60 HB THR 9 HB THR 9 12.299 3.058 1.222 61 HG1 THR 9 HG1 THR 9 11.148 3.156 3.019 62 HG21 THR 9 HG21 THR 9 13.405 4.773 2.598 63 HG22 THR 9 HG22 THR 9 12.447 6.015 1.792 64 HG23 THR 9 HG23 THR 9 13.617 5.067 0.873 65 H SER 10 HN SER 10 10.176 3.527 -2.111 66 HA SER 10 HA SER 10 8.553 2.126 -2.851 67 HB2 SER 10 HB2 SER 10 9.756 0.455 -1.486 68 HB3 SER 10 HB3 SER 10 8.765 0.890 -0.095 69 HG SER 10 HG SER 10 7.496 0.144 -2.477 70 H GLU 11 HN GLU 11 8.030 4.509 -0.838 71 HA GLU 11 HA GLU 11 6.236 5.570 0.061 72 HB2 GLU 11 HB2 GLU 11 5.566 5.593 -2.278 73 HB3 GLU 11 HB3 GLU 11 4.801 4.024 -2.094 74 HG2 GLU 11 HG2 GLU 11 3.158 5.807 -2.091 75 HG3 GLU 11 HG3 GLU 11 3.192 4.980 -0.534 76 H SEP 12 HN SER 12 4.111 2.963 -0.766 77 HA SEP 12 HA SER 12 4.228 1.657 1.776 78 HB2 SEP 12 HB2 SER 12 3.013 3.721 2.398 79 HB3 SEP 12 HB3 SER 12 1.796 3.362 1.174 80 H PHE 13 HN PHE 13 4.121 1.227 -1.224 81 HA PHE 13 HA PHE 13 2.314 -1.047 -1.118 82 HB2 PHE 13 HB2 PHE 13 1.242 -0.482 -3.268 83 HB3 PHE 13 HB3 PHE 13 0.880 0.708 -2.023 84 HD1 PHE 13 HD2 PHE 13 1.910 2.931 -2.097 85 HD2 PHE 13 HD1 PHE 13 2.484 0.097 -5.220 86 HE1 PHE 13 HE2 PHE 13 2.698 4.729 -3.579 87 HE2 PHE 13 HE1 PHE 13 3.274 1.892 -6.708 88 HZ PHE 13 HZ PHE 13 3.381 4.212 -5.888 89 H GLU 14 HN GLU 14 2.928 -2.731 -2.414 90 HA GLU 14 HA GLU 14 4.872 -2.446 -4.486 91 HB2 GLU 14 HB2 GLU 14 6.324 -2.336 -2.501 92 HB3 GLU 14 HB3 GLU 14 5.668 -3.867 -1.938 93 HG2 GLU 14 HG2 GLU 14 6.573 -4.981 -3.907 94 HG3 GLU 14 HG3 GLU 14 7.233 -3.445 -4.469 95 H SER 15 HN SER 15 2.641 -4.198 -2.607 96 HA SER 15 HA SER 15 1.574 -6.190 -2.823 97 HB2 SER 15 HB2 SER 15 0.843 -6.750 -5.094 98 HB3 SER 15 HB3 SER 15 0.715 -5.018 -4.804 99 HG SER 15 HG SER 15 1.667 -5.482 -6.831 100 H ILE 16 HN ILE 16 2.984 -7.601 -1.850 101 HA ILE 16 HA ILE 16 5.194 -8.770 -3.247 102 HB ILE 16 HB ILE 16 3.866 -9.700 -0.697 103 HG12 ILE 16 HG12 ILE 16 6.301 -7.937 -1.042 104 HG13 ILE 16 HG13 ILE 16 4.694 -7.341 -0.637 105 HG21 ILE 16 HG21 ILE 16 6.594 -10.289 -1.843 106 HG22 ILE 16 HG22 ILE 16 6.015 -10.806 -0.260 107 HG23 ILE 16 HG23 ILE 16 5.246 -11.418 -1.724 108 HD11 ILE 16 HD11 ILE 16 6.104 -7.509 1.332 109 HD12 ILE 16 HD12 ILE 16 4.740 -8.624 1.437 110 HD13 ILE 16 HD13 ILE 16 6.345 -9.229 1.026 111 H ALA 17 HN ALA 17 1.853 -9.606 -2.652 112 HA ALA 17 HA ALA 17 1.940 -11.614 -4.709 113 HB1 ALA 17 HB1 ALA 17 1.355 -12.437 -1.867 114 HB2 ALA 17 HB2 ALA 17 1.088 -13.443 -3.292 115 HB3 ALA 17 HB3 ALA 17 2.724 -12.949 -2.855 116 H ASP 18 HN ASP 18 -0.384 -11.900 -2.140 117 HA ASP 18 HA ASP 18 -2.293 -10.023 -2.880 118 HB2 ASP 18 HB2 ASP 18 -3.887 -11.407 -4.172 119 HB3 ASP 18 HB3 ASP 18 -2.386 -11.133 -5.048 120 H ASN 19 HN ASN 19 -1.169 -11.672 -0.663 121 HA ASN 19 HA ASN 19 -3.739 -12.533 0.485 122 HB2 ASN 19 HB2 ASN 19 -2.560 -14.340 1.677 123 HB3 ASN 19 HB3 ASN 19 -2.437 -14.524 -0.070 124 HD21 ASN 19 HD21 ASN 19 -0.742 -13.777 2.862 125 HD22 ASN 19 HD22 ASN 19 0.854 -13.897 2.211 126 H ASN 20 HN ASN 20 -1.485 -10.254 0.642 127 HA ASN 20 HA ASN 20 -2.034 -9.700 3.438 128 HB2 ASN 20 HB2 ASN 20 -0.005 -10.937 3.713 129 HB3 ASN 20 HB3 ASN 20 0.768 -10.087 2.377 130 HD21 ASN 20 HD21 ASN 20 1.116 -7.775 2.654 131 HD22 ASN 20 HD22 ASN 20 1.438 -7.153 4.230 132 H ASP 21 HN ASP 21 0.285 -8.542 1.011 133 HA ASP 21 HA ASP 21 0.063 -5.847 1.584 134 HB2 ASP 21 HB2 ASP 21 0.697 -7.058 -1.115 135 HB3 ASP 21 HB3 ASP 21 1.131 -5.444 -0.564 136 H ASP 22 HN ASP 22 -1.894 -7.936 -0.389 137 HA ASP 22 HA ASP 22 -3.399 -5.777 -1.562 138 HB2 ASP 22 HB2 ASP 22 -3.601 -8.775 -1.598 139 HB3 ASP 22 HB3 ASP 22 -4.909 -7.779 -2.235 140 H SER 23 HN SER 23 -3.168 -6.116 1.395 141 HA SER 23 HA SER 23 -6.049 -6.135 1.980 142 HB2 SER 23 HB2 SER 23 -4.876 -8.196 2.837 143 HB3 SER 23 HB3 SER 23 -3.926 -7.140 3.881 144 HG SER 23 HG SER 23 -6.041 -6.372 4.665 145 H TYR 24 HN TYR 24 -2.817 -4.927 2.927 146 HA TYR 24 HA TYR 24 -4.192 -2.507 3.865 147 HB2 TYR 24 HB2 TYR 24 -2.815 -2.381 5.866 148 HB3 TYR 24 HB3 TYR 24 -3.800 -3.834 5.861 149 HD1 TYR 24 HD2 TYR 24 -2.699 -6.032 5.289 150 HD2 TYR 24 HD1 TYR 24 -0.471 -2.485 6.037 151 HE1 TYR 24 HE2 TYR 24 -0.690 -7.386 5.699 152 HE2 TYR 24 HE1 TYR 24 1.545 -3.831 6.450 153 HH TYR 24 HH TYR 24 1.761 -7.113 5.643 154 H PHE 25 HN PHE 25 -2.018 -3.606 1.758 155 HA PHE 25 HA PHE 25 -0.277 -1.248 2.049 156 HB2 PHE 25 HB2 PHE 25 0.239 -3.986 0.988 157 HB3 PHE 25 HB3 PHE 25 1.120 -2.642 0.279 158 HD1 PHE 25 HD2 PHE 25 1.619 -0.925 2.599 159 HD2 PHE 25 HD1 PHE 25 1.784 -5.163 2.241 160 HE1 PHE 25 HE2 PHE 25 3.244 -1.015 4.444 161 HE2 PHE 25 HE1 PHE 25 3.407 -5.259 4.084 162 HZ PHE 25 HZ PHE 25 4.140 -3.183 5.188 163 H GLN 26 HN GLN 26 -2.426 -2.962 -0.111 164 HA GLN 26 HA GLN 26 -2.365 -0.630 -1.882 165 HB2 GLN 26 HB2 GLN 26 -2.299 -1.985 -3.878 166 HB3 GLN 26 HB3 GLN 26 -0.911 -2.373 -2.872 167 HG2 GLN 26 HG2 GLN 26 -1.524 -4.478 -3.373 168 HG3 GLN 26 HG3 GLN 26 -2.599 -4.243 -1.996 169 HE21 GLN 26 HE21 GLN 26 -4.800 -3.981 -2.344 170 HE22 GLN 26 HE22 GLN 26 -5.549 -4.328 -3.862 171 H ARG 27 HN ARG 27 -4.170 -2.675 -0.020 172 HA ARG 27 HA ARG 27 -6.506 -2.888 -1.671 173 HB2 ARG 27 HB2 ARG 27 -5.665 -4.231 0.516 174 HB3 ARG 27 HB3 ARG 27 -6.783 -3.105 1.270 175 HG2 ARG 27 HG2 ARG 27 -7.440 -5.014 -0.963 176 HG3 ARG 27 HG3 ARG 27 -7.868 -5.214 0.736 177 HD2 ARG 27 HD2 ARG 27 -9.211 -3.164 0.627 178 HD3 ARG 27 HD3 ARG 27 -8.792 -2.986 -1.076 179 HE ARG 27 HE ARG 27 -10.069 -5.484 -0.350 180 HH11 ARG 27 HH12 ARG 27 -10.466 -2.236 -1.556 181 HH12 ARG 27 HH11 ARG 27 -11.993 -2.564 -2.304 182 HH21 ARG 27 HH22 ARG 27 -12.074 -5.925 -1.339 183 HH22 ARG 27 HH21 ARG 27 -12.906 -4.663 -2.184 184 H LYS 28 HN LYS 28 -6.140 -0.404 -2.041 185 HA LYS 28 HA LYS 28 -6.894 1.721 -1.829 186 HB2 LYS 28 HB2 LYS 28 -9.208 0.204 -0.639 187 HB3 LYS 28 HB3 LYS 28 -9.258 1.928 -0.996 188 HG2 LYS 28 HG2 LYS 28 -8.496 -0.051 -3.092 189 HG3 LYS 28 HG3 LYS 28 -10.194 0.284 -2.731 190 HD2 LYS 28 HD2 LYS 28 -9.869 2.624 -3.239 191 HD3 LYS 28 HD3 LYS 28 -8.138 2.366 -3.470 192 HE2 LYS 28 HE2 LYS 28 -9.275 2.503 -5.614 193 HE3 LYS 28 HE3 LYS 28 -8.616 0.887 -5.361 194 HZ1 LYS 28 HZ1 LYS 28 -11.449 1.687 -4.964 195 HZ2 LYS 28 HZ2 LYS 28 -10.822 0.139 -4.699 196 HZ3 LYS 28 HZ3 LYS 28 -10.846 0.784 -6.262 197 HA PRO 29 HA PRO 29 -5.508 2.074 2.596 198 HB2 PRO 29 HB2 PRO 29 -3.599 4.008 1.508 199 HB3 PRO 29 HB3 PRO 29 -3.294 2.554 2.460 200 HG2 PRO 29 HG2 PRO 29 -2.638 2.733 -0.152 201 HG3 PRO 29 HG3 PRO 29 -3.139 1.208 0.601 202 HD2 PRO 29 HD2 PRO 29 -4.728 3.094 -1.102 203 HD3 PRO 29 HD3 PRO 29 -4.689 1.317 -1.123 204 H LYS 30 HN LYS 30 -5.446 4.772 0.257 205 HA LYS 30 HA LYS 30 -6.332 6.668 2.220 206 HB2 LYS 30 HB2 LYS 30 -6.330 8.269 0.372 207 HB3 LYS 30 HB3 LYS 30 -4.837 7.340 0.398 208 HG2 LYS 30 HG2 LYS 30 -5.678 5.927 -1.404 209 HG3 LYS 30 HG3 LYS 30 -7.183 6.847 -1.425 210 HD2 LYS 30 HD2 LYS 30 -5.910 8.877 -1.990 211 HD3 LYS 30 HD3 LYS 30 -4.425 7.922 -2.017 212 HE2 LYS 30 HE2 LYS 30 -5.352 6.551 -3.826 213 HE3 LYS 30 HE3 LYS 30 -6.825 7.520 -3.801 214 HZ1 LYS 30 HZ1 LYS 30 -4.104 8.530 -4.435 215 HZ2 LYS 30 HZ2 LYS 30 -5.518 9.457 -4.416 216 HZ3 LYS 30 HZ3 LYS 30 -5.331 8.226 -5.560 217 H LEU 31 HN LEU 31 -8.233 8.119 1.702 218 HA LEU 31 HA LEU 31 -10.494 6.531 0.678 219 HB2 LEU 31 HB2 LEU 31 -10.681 8.510 2.943 220 HB3 LEU 31 HB3 LEU 31 -11.907 7.380 2.405 221 HG LEU 31 HG LEU 31 -9.299 6.609 3.716 222 HD11 LEU 31 HD11 LEU 31 -12.100 6.613 4.829 223 HD12 LEU 31 HD12 LEU 31 -10.646 6.055 5.655 224 HD13 LEU 31 HD13 LEU 31 -10.829 7.761 5.247 225 HD21 LEU 31 HD21 LEU 31 -11.706 4.939 2.993 226 HD22 LEU 31 HD22 LEU 31 -10.151 4.916 2.160 227 HD23 LEU 31 HD23 LEU 31 -10.262 4.378 3.835 228 H THR 32 HN THR 32 -12.175 7.697 -0.341 229 HA THR 32 HA THR 32 -13.020 9.266 -1.758 230 HB THR 32 HB THR 32 -11.587 11.209 0.065 231 HG1 THR 32 HG1 THR 32 -13.795 9.664 0.394 232 HG21 THR 32 HG21 THR 32 -12.183 12.265 -2.039 233 HG22 THR 32 HG22 THR 32 -13.253 12.837 -0.760 234 HG23 THR 32 HG23 THR 32 -13.826 11.637 -1.917 235 H GLU 33 HN GLU 33 -12.017 8.838 -3.668 236 HA GLU 33 HA GLU 33 -9.350 9.906 -4.167 237 HB2 GLU 33 HB2 GLU 33 -11.131 8.219 -5.936 238 HB3 GLU 33 HB3 GLU 33 -9.457 8.641 -6.266 239 HG2 GLU 33 HG2 GLU 33 -8.743 7.395 -4.299 240 HG3 GLU 33 HG3 GLU 33 -10.421 6.987 -3.943 241 H ALA 34 HN ALA 34 -8.992 10.917 -6.368 242 HA ALA 34 HA ALA 34 -11.239 12.663 -7.115 243 HB1 ALA 34 HB1 ALA 34 -9.716 13.916 -5.671 244 HB2 ALA 34 HB2 ALA 34 -8.379 13.552 -6.764 245 HB3 ALA 34 HB3 ALA 34 -9.721 14.555 -7.316 246 HA PRO 35 HA PRO 35 -9.712 10.579 -10.932 247 HB2 PRO 35 HB2 PRO 35 -12.082 10.932 -12.268 248 HB3 PRO 35 HB3 PRO 35 -11.730 9.544 -11.232 249 HG2 PRO 35 HG2 PRO 35 -13.272 12.032 -10.609 250 HG3 PRO 35 HG3 PRO 35 -13.638 10.350 -10.179 251 HD2 PRO 35 HD2 PRO 35 -12.569 12.061 -8.405 252 HD3 PRO 35 HD3 PRO 35 -12.131 10.340 -8.422 Start of MODEL 20 1 H1 GLU 1 H1 GLU 1 -5.922 11.557 -9.092 2 H2 GLU 1 H2 GLU 1 -6.193 12.331 -10.571 3 H3 GLU 1 H3 GLU 1 -4.680 12.448 -9.819 4 HA GLU 1 HA GLU 1 -5.901 9.975 -10.898 5 HB2 GLU 1 HB2 GLU 1 -5.138 11.539 -12.640 6 HB3 GLU 1 HB3 GLU 1 -3.555 11.614 -11.880 7 HG2 GLU 1 HG2 GLU 1 -3.520 10.153 -13.808 8 HG3 GLU 1 HG3 GLU 1 -3.217 9.241 -12.329 9 H HIS 2 HN HIS 2 -3.262 11.518 -9.162 10 HA HIS 2 HA HIS 2 -2.257 8.846 -8.433 11 HB2 HIS 2 HB2 HIS 2 -0.733 11.451 -8.643 12 HB3 HIS 2 HB3 HIS 2 -0.058 9.937 -8.050 13 HD1 HIS 2 HD1 HIS 2 -0.806 11.794 -11.137 14 HD2 HIS 2 HD2 HIS 2 0.213 7.910 -10.071 15 HE1 HIS 2 HE1 HIS 2 -0.096 10.675 -13.274 16 HE2 HIS 2 HE2 HIS 2 0.594 8.350 -12.592 17 H LYS 3 HN LYS 3 -2.183 8.316 -6.336 18 HA LYS 3 HA LYS 3 -2.878 10.404 -4.380 19 HB2 LYS 3 HB2 LYS 3 -3.770 8.566 -2.982 20 HB3 LYS 3 HB3 LYS 3 -4.594 8.704 -4.529 21 HG2 LYS 3 HG2 LYS 3 -3.206 6.849 -5.389 22 HG3 LYS 3 HG3 LYS 3 -2.499 6.678 -3.780 23 HD2 LYS 3 HD2 LYS 3 -4.715 6.217 -2.855 24 HD3 LYS 3 HD3 LYS 3 -5.426 6.398 -4.460 25 HE2 LYS 3 HE2 LYS 3 -5.138 4.052 -3.942 26 HE3 LYS 3 HE3 LYS 3 -4.057 4.516 -5.255 27 HZ1 LYS 3 HZ1 LYS 3 -3.288 4.214 -2.401 28 HZ2 LYS 3 HZ2 LYS 3 -2.249 4.673 -3.653 29 HZ3 LYS 3 HZ3 LYS 3 -2.928 3.124 -3.644 30 H HIS 4 HN HIS 4 -0.325 8.682 -5.491 31 HA HIS 4 HA HIS 4 0.929 8.267 -2.884 32 HB2 HIS 4 HB2 HIS 4 1.065 6.518 -4.694 33 HB3 HIS 4 HB3 HIS 4 2.052 7.644 -5.619 34 HD1 HIS 4 HD1 HIS 4 2.131 5.951 -2.214 35 HD2 HIS 4 HD2 HIS 4 4.704 7.390 -5.141 36 HE1 HIS 4 HE1 HIS 4 4.442 5.315 -1.450 37 HE2 HIS 4 HE2 HIS 4 5.983 6.193 -3.239 38 H SER 5 HN SER 5 1.382 10.055 -5.890 39 HA SER 5 HA SER 5 2.568 11.914 -6.425 40 HB2 SER 5 HB2 SER 5 1.131 12.897 -4.680 41 HB3 SER 5 HB3 SER 5 2.341 12.491 -3.463 42 HG SER 5 HG SER 5 2.576 14.640 -4.132 43 H ASP 6 HN ASP 6 3.977 9.430 -5.255 44 HA ASP 6 HA ASP 6 6.119 8.738 -4.948 45 HB2 ASP 6 HB2 ASP 6 6.637 9.999 -6.948 46 HB3 ASP 6 HB3 ASP 6 6.743 11.494 -6.024 47 H GLU 7 HN GLU 7 6.972 8.399 -3.017 48 HA GLU 7 HA GLU 7 7.844 10.651 -1.390 49 HB2 GLU 7 HB2 GLU 7 5.875 8.583 -0.395 50 HB3 GLU 7 HB3 GLU 7 6.735 9.712 0.642 51 HG2 GLU 7 HG2 GLU 7 5.667 11.582 -0.534 52 HG3 GLU 7 HG3 GLU 7 4.776 10.430 -1.528 53 H SER 8 HN SER 8 7.249 7.330 -0.369 54 HA SER 8 HA SER 8 10.106 7.013 0.147 55 HB2 SER 8 HB2 SER 8 7.758 5.252 0.905 56 HB3 SER 8 HB3 SER 8 9.429 4.996 1.406 57 HG SER 8 HG SER 8 8.238 7.475 1.921 58 H THR 9 HN THR 9 7.814 6.281 -2.192 59 HA THR 9 HA THR 9 7.810 5.030 -4.084 60 HB THR 9 HB THR 9 10.757 4.552 -3.670 61 HG1 THR 9 HG1 THR 9 9.550 6.866 -4.818 62 HG21 THR 9 HG21 THR 9 9.742 3.402 -5.567 63 HG22 THR 9 HG22 THR 9 10.803 4.692 -6.131 64 HG23 THR 9 HG23 THR 9 9.054 4.921 -6.139 65 H SER 10 HN SER 10 7.994 3.787 -1.195 66 HA SER 10 HA SER 10 7.665 1.067 -2.112 67 HB2 SER 10 HB2 SER 10 9.829 1.776 -0.117 68 HB3 SER 10 HB3 SER 10 9.283 0.136 -0.467 69 HG SER 10 HG SER 10 11.156 1.432 -1.707 70 H GLU 11 HN GLU 11 6.769 3.593 -0.264 71 HA GLU 11 HA GLU 11 6.060 2.537 2.212 72 HB2 GLU 11 HB2 GLU 11 5.983 4.945 1.611 73 HB3 GLU 11 HB3 GLU 11 4.557 4.619 0.636 74 HG2 GLU 11 HG2 GLU 11 3.376 3.863 2.657 75 HG3 GLU 11 HG3 GLU 11 4.800 4.269 3.616 76 H SEP 12 HN SER 12 3.832 3.140 -0.437 77 HA SEP 12 HA SER 12 2.052 1.066 0.578 78 HB2 SEP 12 HB2 SER 12 1.082 3.251 -0.002 79 HB3 SEP 12 HB3 SER 12 1.652 3.067 -1.660 80 H PHE 13 HN PHE 13 4.647 0.551 -0.849 81 HA PHE 13 HA PHE 13 3.584 -1.429 -2.708 82 HB2 PHE 13 HB2 PHE 13 4.446 0.910 -3.760 83 HB3 PHE 13 HB3 PHE 13 5.963 0.018 -3.714 84 HD1 PHE 13 HD1 PHE 13 2.408 -0.539 -4.714 85 HD2 PHE 13 HD2 PHE 13 6.525 -1.177 -5.585 86 HE1 PHE 13 HE1 PHE 13 1.784 -1.698 -6.792 87 HE2 PHE 13 HE2 PHE 13 5.909 -2.336 -7.665 88 HZ PHE 13 HZ PHE 13 3.541 -2.588 -8.278 89 H GLU 14 HN GLU 14 6.261 -1.992 -3.755 90 HA GLU 14 HA GLU 14 8.064 -3.295 -3.298 91 HB2 GLU 14 HB2 GLU 14 8.605 -1.282 -1.845 92 HB3 GLU 14 HB3 GLU 14 7.958 -2.194 -0.490 93 HG2 GLU 14 HG2 GLU 14 9.644 -3.920 -0.838 94 HG3 GLU 14 HG3 GLU 14 10.284 -3.021 -2.212 95 H SER 15 HN SER 15 5.145 -3.922 -2.366 96 HA SER 15 HA SER 15 5.846 -6.260 -0.712 97 HB2 SER 15 HB2 SER 15 3.507 -6.232 0.077 98 HB3 SER 15 HB3 SER 15 4.332 -4.716 0.439 99 HG SER 15 HG SER 15 2.275 -5.244 -1.367 100 H ILE 16 HN ILE 16 4.447 -8.177 -1.041 101 HA ILE 16 HA ILE 16 4.456 -8.979 -3.751 102 HB ILE 16 HB ILE 16 3.004 -10.281 -1.441 103 HG12 ILE 16 HG12 ILE 16 5.774 -10.884 -2.495 104 HG13 ILE 16 HG13 ILE 16 5.465 -9.880 -1.083 105 HG21 ILE 16 HG21 ILE 16 3.930 -11.387 -4.091 106 HG22 ILE 16 HG22 ILE 16 3.232 -12.335 -2.779 107 HG23 ILE 16 HG23 ILE 16 2.259 -11.112 -3.596 108 HD11 ILE 16 HD11 ILE 16 6.068 -12.152 -0.460 109 HD12 ILE 16 HD12 ILE 16 4.422 -11.765 0.042 110 HD13 ILE 16 HD13 ILE 16 4.697 -12.772 -1.379 111 H ALA 17 HN ALA 17 1.717 -8.563 -1.513 112 HA ALA 17 HA ALA 17 -0.468 -8.048 -1.836 113 HB1 ALA 17 HB1 ALA 17 0.471 -5.938 -2.592 114 HB2 ALA 17 HB2 ALA 17 0.610 -6.574 -4.232 115 HB3 ALA 17 HB3 ALA 17 -0.982 -6.345 -3.508 116 H ASP 18 HN ASP 18 -1.045 -10.216 -2.216 117 HA ASP 18 HA ASP 18 -2.544 -10.657 -4.536 118 HB2 ASP 18 HB2 ASP 18 -0.243 -10.952 -5.516 119 HB3 ASP 18 HB3 ASP 18 -0.026 -12.331 -4.444 120 H ASN 19 HN ASN 19 -1.870 -11.140 -1.478 121 HA ASN 19 HA ASN 19 -3.734 -13.286 -1.176 122 HB2 ASN 19 HB2 ASN 19 -2.222 -14.806 0.012 123 HB3 ASN 19 HB3 ASN 19 -1.706 -14.566 -1.654 124 HD21 ASN 19 HD21 ASN 19 0.132 -13.315 -2.071 125 HD22 ASN 19 HD22 ASN 19 1.315 -13.012 -0.849 126 H ASN 20 HN ASN 20 -1.903 -10.672 -0.006 127 HA ASN 20 HA ASN 20 -3.550 -10.443 2.325 128 HB2 ASN 20 HB2 ASN 20 -1.971 -11.972 3.278 129 HB3 ASN 20 HB3 ASN 20 -0.612 -11.071 2.611 130 HD21 ASN 20 HD21 ASN 20 -0.283 -8.894 3.413 131 HD22 ASN 20 HD22 ASN 20 -0.681 -8.540 5.059 132 H ASP 21 HN ASP 21 -0.322 -9.357 1.255 133 HA ASP 21 HA ASP 21 -0.407 -6.769 2.155 134 HB2 ASP 21 HB2 ASP 21 0.854 -7.733 -0.415 135 HB3 ASP 21 HB3 ASP 21 1.251 -6.238 0.422 136 H ASP 22 HN ASP 22 -2.124 -8.175 -0.492 137 HA ASP 22 HA ASP 22 -2.797 -5.718 -1.791 138 HB2 ASP 22 HB2 ASP 22 -2.827 -8.194 -2.671 139 HB3 ASP 22 HB3 ASP 22 -4.459 -8.202 -2.008 140 H SER 23 HN SER 23 -3.253 -5.888 1.097 141 HA SER 23 HA SER 23 -6.015 -4.990 1.139 142 HB2 SER 23 HB2 SER 23 -5.924 -7.456 1.795 143 HB3 SER 23 HB3 SER 23 -5.026 -6.942 3.220 144 HG SER 23 HG SER 23 -7.027 -6.818 3.955 145 H TYR 24 HN TYR 24 -2.973 -5.461 2.932 146 HA TYR 24 HA TYR 24 -3.597 -3.001 4.416 147 HB2 TYR 24 HB2 TYR 24 -2.494 -3.817 6.234 148 HB3 TYR 24 HB3 TYR 24 -3.029 -5.326 5.527 149 HD1 TYR 24 HD2 TYR 24 -1.315 -6.507 3.943 150 HD2 TYR 24 HD1 TYR 24 -0.271 -3.533 6.799 151 HE1 TYR 24 HE2 TYR 24 1.006 -7.323 3.939 152 HE2 TYR 24 HE1 TYR 24 2.050 -4.341 6.806 153 HH TYR 24 HH TYR 24 3.279 -6.423 4.471 154 H PHE 25 HN PHE 25 -2.285 -3.538 1.668 155 HA PHE 25 HA PHE 25 -0.200 -1.518 2.031 156 HB2 PHE 25 HB2 PHE 25 0.250 -4.283 1.193 157 HB3 PHE 25 HB3 PHE 25 0.886 -3.107 0.050 158 HD1 PHE 25 HD2 PHE 25 1.834 -0.954 1.753 159 HD2 PHE 25 HD1 PHE 25 2.039 -5.164 2.335 160 HE1 PHE 25 HE2 PHE 25 3.824 -0.659 3.169 161 HE2 PHE 25 HE1 PHE 25 4.031 -4.874 3.749 162 HZ PHE 25 HZ PHE 25 4.926 -2.620 4.167 163 H GLN 26 HN GLN 26 -2.313 -3.288 -0.187 164 HA GLN 26 HA GLN 26 -1.988 -1.155 -2.175 165 HB2 GLN 26 HB2 GLN 26 -3.181 -3.919 -2.381 166 HB3 GLN 26 HB3 GLN 26 -3.255 -2.733 -3.676 167 HG2 GLN 26 HG2 GLN 26 -0.719 -3.806 -2.462 168 HG3 GLN 26 HG3 GLN 26 -1.448 -4.376 -3.962 169 HE21 GLN 26 HE21 GLN 26 0.252 -1.784 -2.401 170 HE22 GLN 26 HE22 GLN 26 0.682 -0.927 -3.837 171 H ARG 27 HN ARG 27 -4.164 -2.238 0.219 172 HA ARG 27 HA ARG 27 -6.390 -0.815 -1.056 173 HB2 ARG 27 HB2 ARG 27 -6.349 -2.834 1.182 174 HB3 ARG 27 HB3 ARG 27 -7.780 -1.908 0.752 175 HG2 ARG 27 HG2 ARG 27 -7.582 -2.847 -1.559 176 HG3 ARG 27 HG3 ARG 27 -6.312 -3.908 -0.946 177 HD2 ARG 27 HD2 ARG 27 -7.868 -4.869 0.660 178 HD3 ARG 27 HD3 ARG 27 -9.136 -3.775 0.109 179 HE ARG 27 HE ARG 27 -7.991 -5.489 -1.927 180 HH11 ARG 27 HH12 ARG 27 -10.518 -5.037 0.430 181 HH12 ARG 27 HH11 ARG 27 -11.602 -6.155 -0.328 182 HH21 ARG 27 HH22 ARG 27 -9.413 -6.966 -2.930 183 HH22 ARG 27 HH21 ARG 27 -10.974 -7.254 -2.236 184 H LYS 28 HN LYS 28 -5.343 1.201 -0.551 185 HA LYS 28 HA LYS 28 -5.787 2.031 2.243 186 HB2 LYS 28 HB2 LYS 28 -3.607 2.634 0.329 187 HB3 LYS 28 HB3 LYS 28 -4.158 3.972 1.328 188 HG2 LYS 28 HG2 LYS 28 -2.333 2.978 2.447 189 HG3 LYS 28 HG3 LYS 28 -3.788 2.496 3.324 190 HD2 LYS 28 HD2 LYS 28 -3.746 0.322 2.353 191 HD3 LYS 28 HD3 LYS 28 -2.482 0.793 1.214 192 HE2 LYS 28 HE2 LYS 28 -1.559 -0.535 3.034 193 HE3 LYS 28 HE3 LYS 28 -0.925 1.108 3.069 194 HZ1 LYS 28 HZ1 LYS 28 -1.535 0.323 5.277 195 HZ2 LYS 28 HZ2 LYS 28 -3.131 0.082 4.771 196 HZ3 LYS 28 HZ3 LYS 28 -2.487 1.645 4.821 197 HA PRO 29 HA PRO 29 -8.743 4.442 -0.391 198 HB2 PRO 29 HB2 PRO 29 -10.697 3.894 1.693 199 HB3 PRO 29 HB3 PRO 29 -10.745 3.451 -0.015 200 HG2 PRO 29 HG2 PRO 29 -10.446 1.625 1.970 201 HG3 PRO 29 HG3 PRO 29 -9.759 1.411 0.351 202 HD2 PRO 29 HD2 PRO 29 -8.417 2.332 2.870 203 HD3 PRO 29 HD3 PRO 29 -7.834 1.198 1.633 204 H LYS 30 HN LYS 30 -8.062 4.433 3.045 205 HA LYS 30 HA LYS 30 -8.965 7.201 3.311 206 HB2 LYS 30 HB2 LYS 30 -8.533 6.851 5.738 207 HB3 LYS 30 HB3 LYS 30 -9.707 5.729 5.065 208 HG2 LYS 30 HG2 LYS 30 -7.982 3.998 4.943 209 HG3 LYS 30 HG3 LYS 30 -6.807 5.125 5.621 210 HD2 LYS 30 HD2 LYS 30 -7.596 3.710 7.382 211 HD3 LYS 30 HD3 LYS 30 -8.267 5.321 7.632 212 HE2 LYS 30 HE2 LYS 30 -10.384 4.612 6.674 213 HE3 LYS 30 HE3 LYS 30 -9.716 3.017 6.331 214 HZ1 LYS 30 HZ1 LYS 30 -9.466 2.626 8.682 215 HZ2 LYS 30 HZ2 LYS 30 -11.069 3.054 8.355 216 HZ3 LYS 30 HZ3 LYS 30 -10.017 4.185 9.046 217 H LEU 31 HN LEU 31 -7.526 8.670 4.622 218 HA LEU 31 HA LEU 31 -4.683 8.200 4.036 219 HB2 LEU 31 HB2 LEU 31 -6.187 10.778 3.584 220 HB3 LEU 31 HB3 LEU 31 -4.451 10.586 3.436 221 HG LEU 31 HG LEU 31 -6.505 9.187 1.718 222 HD11 LEU 31 HD11 LEU 31 -4.672 11.501 1.100 223 HD12 LEU 31 HD12 LEU 31 -5.719 10.675 -0.055 224 HD13 LEU 31 HD13 LEU 31 -6.424 11.583 1.282 225 HD21 LEU 31 HD21 LEU 31 -3.492 9.264 1.561 226 HD22 LEU 31 HD22 LEU 31 -4.484 7.866 1.979 227 HD23 LEU 31 HD23 LEU 31 -4.562 8.549 0.354 228 H THR 32 HN THR 32 -3.687 8.088 5.918 229 HA THR 32 HA THR 32 -3.083 8.441 8.083 230 HB THR 32 HB THR 32 -2.671 10.717 8.737 231 HG1 THR 32 HG1 THR 32 -4.569 11.757 8.210 232 HG21 THR 32 HG21 THR 32 -1.445 11.549 6.786 233 HG22 THR 32 HG22 THR 32 -2.321 10.419 5.753 234 HG23 THR 32 HG23 THR 32 -1.219 9.811 6.989 235 H GLU 33 HN GLU 33 -5.997 7.962 7.498 236 HA GLU 33 HA GLU 33 -7.319 9.381 9.666 237 HB2 GLU 33 HB2 GLU 33 -8.338 7.336 7.689 238 HB3 GLU 33 HB3 GLU 33 -9.332 8.103 8.920 239 HG2 GLU 33 HG2 GLU 33 -7.907 9.507 6.672 240 HG3 GLU 33 HG3 GLU 33 -9.633 9.161 6.757 241 H ALA 34 HN ALA 34 -8.894 7.865 10.975 242 HA ALA 34 HA ALA 34 -7.533 5.402 11.781 243 HB1 ALA 34 HB1 ALA 34 -8.317 7.568 13.730 244 HB2 ALA 34 HB2 ALA 34 -7.636 5.992 14.140 245 HB3 ALA 34 HB3 ALA 34 -6.668 7.166 13.247 246 HA PRO 35 HA PRO 35 -11.576 3.646 12.009 247 HB2 PRO 35 HB2 PRO 35 -10.765 2.390 14.575 248 HB3 PRO 35 HB3 PRO 35 -11.353 1.637 13.088 249 HG2 PRO 35 HG2 PRO 35 -8.783 1.481 13.770 250 HG3 PRO 35 HG3 PRO 35 -9.266 1.699 12.077 251 HD2 PRO 35 HD2 PRO 35 -8.203 3.712 14.020 252 HD3 PRO 35 HD3 PRO 35 -7.849 3.519 12.290
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