NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558308 | 2m3z | 18980 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 1 H1 ILE 1 2.229 -14.802 32.706 2 H2 ILE 1 H2 ILE 1 2.380 -15.201 34.284 3 H3 ILE 1 H3 ILE 1 2.644 -13.657 33.794 4 HA ILE 1 HA ILE 1 0.061 -15.050 33.622 5 HB ILE 1 HB ILE 1 0.757 -14.622 35.959 6 HG12 ILE 1 HG13 ILE 1 -1.192 -13.573 36.753 7 HG13 ILE 1 HG12 ILE 1 -1.672 -12.933 35.163 8 HG21 ILE 1 HG21 ILE 1 2.094 -12.550 35.682 9 HG22 ILE 1 HG22 ILE 1 0.613 -11.649 35.281 10 HG23 ILE 1 HG23 ILE 1 0.824 -12.359 36.887 11 HD11 ILE 1 HD11 ILE 1 -1.999 -15.243 34.330 12 HD12 ILE 1 HD12 ILE 1 -1.491 -15.887 35.910 13 HD13 ILE 1 HD13 ILE 1 -2.977 -14.927 35.773 14 H GLN 2 H GLN 2 -1.704 -13.816 32.780 15 HA GLN 2 HA GLN 2 -1.473 -11.072 32.000 16 HB2 GLN 2 HB2 GLN 2 -1.755 -11.385 29.562 17 HB3 GLN 2 HB3 GLN 2 -0.168 -11.895 30.122 18 HG2 GLN 2 HG2 GLN 2 -0.913 -14.284 30.054 19 HG3 GLN 2 HG3 GLN 2 -2.496 -13.759 29.469 20 HE21 GLN 2 HE22 GLN 2 -2.577 -12.678 27.298 21 HE22 GLN 2 HE21 GLN 2 -1.336 -13.115 26.132 22 H LYS 3 H LYS 3 -3.499 -10.197 31.439 23 HA LYS 3 HA LYS 3 -5.811 -11.941 32.209 24 HB2 LYS 3 HB2 LYS 3 -5.409 -8.925 32.123 25 HB3 LYS 3 HB3 LYS 3 -6.963 -9.704 32.436 26 HG2 LYS 3 HG2 LYS 3 -6.099 -10.807 34.432 27 HG3 LYS 3 HG3 LYS 3 -4.468 -10.212 34.112 28 HD2 LYS 3 HD2 LYS 3 -5.514 -8.901 35.868 29 HD3 LYS 3 HD3 LYS 3 -5.195 -7.894 34.450 30 HE2 LYS 3 HE2 LYS 3 -7.564 -8.043 33.780 31 HE3 LYS 3 HE3 LYS 3 -7.905 -9.133 35.133 32 HZ1 LYS 3 HZ1 LYS 3 -7.364 -7.345 36.653 33 HZ2 LYS 3 HZ2 LYS 3 -6.901 -6.353 35.439 34 HZ3 LYS 3 HZ3 LYS 3 -8.480 -6.783 35.595 35 H GLY 4 H GLY 4 -4.618 -9.984 29.530 36 HA2 GLY 4 HA2 GLY 4 -7.063 -10.532 27.879 37 HA3 GLY 4 HA3 GLY 4 -5.798 -9.336 27.538 38 H ASN 5 H ASN 5 -6.456 -10.743 25.482 39 HA ASN 5 HA ASN 5 -4.964 -13.115 24.899 40 HB2 ASN 5 HB2 ASN 5 -6.772 -12.270 23.482 41 HB3 ASN 5 HB3 ASN 5 -5.893 -10.771 23.178 42 HD21 ASN 5 HD22 ASN 5 -4.480 -10.702 21.408 43 HD22 ASN 5 HD21 ASN 5 -4.043 -12.126 20.484 44 H PHE 6 H PHE 6 -4.056 -9.702 24.981 45 HA PHE 6 HA PHE 6 -1.389 -10.158 23.819 46 HB2 PHE 6 HB2 PHE 6 -2.711 -7.613 24.833 47 HB3 PHE 6 HB3 PHE 6 -1.250 -7.716 23.860 48 HD1 PHE 6 HD1 PHE 6 -1.461 -8.914 21.522 49 HD2 PHE 6 HD2 PHE 6 -4.811 -7.354 23.753 50 HE1 PHE 6 HE1 PHE 6 -2.817 -8.844 19.444 51 HE2 PHE 6 HE2 PHE 6 -6.162 -7.293 21.673 52 HZ PHE 6 HZ PHE 6 -5.169 -8.036 19.517 53 H ARG 7 H ARG 7 0.469 -9.156 24.817 54 HA ARG 7 HA ARG 7 0.933 -9.943 27.561 55 HB2 ARG 7 HB2 ARG 7 3.219 -8.956 27.078 56 HB3 ARG 7 HB3 ARG 7 2.708 -10.332 26.112 57 HG2 ARG 7 HG2 ARG 7 2.231 -8.895 24.199 58 HG3 ARG 7 HG3 ARG 7 2.551 -7.443 25.156 59 HD2 ARG 7 HD2 ARG 7 4.923 -8.146 25.421 60 HD3 ARG 7 HD3 ARG 7 4.580 -9.633 24.537 61 HE ARG 7 HE ARG 7 4.667 -8.493 22.540 62 HH11 ARG 7 HH11 ARG 7 4.432 -6.007 25.091 63 HH12 ARG 7 HH12 ARG 7 4.495 -4.731 23.866 64 HH21 ARG 7 HH21 ARG 7 4.781 -6.684 21.131 65 HH22 ARG 7 HH22 ARG 7 4.665 -5.077 21.840 66 H ASN 8 H ASN 8 -0.862 -8.592 28.380 67 HA ASN 8 HA ASN 8 -0.241 -5.747 28.821 68 HB2 ASN 8 HB2 ASN 8 -2.437 -5.493 29.461 69 HB3 ASN 8 HB3 ASN 8 -2.556 -6.737 28.232 70 HD21 ASN 8 HD22 ASN 8 -3.922 -5.877 31.038 71 HD22 ASN 8 HD21 ASN 8 -4.221 -7.444 31.757 72 H GLN 9 H GLN 9 0.763 -8.481 30.354 73 HA GLN 9 HA GLN 9 1.537 -7.018 32.807 74 HB2 GLN 9 HB2 GLN 9 0.184 -9.753 32.862 75 HB3 GLN 9 HB3 GLN 9 0.992 -8.995 34.232 76 HG2 GLN 9 HG2 GLN 9 -0.682 -7.164 34.204 77 HG3 GLN 9 HG3 GLN 9 -1.528 -7.948 32.865 78 HE21 GLN 9 HE22 GLN 9 -2.597 -7.376 35.558 79 HE22 GLN 9 HE21 GLN 9 -2.981 -8.955 36.262 80 H ARG 10 H ARG 10 1.665 -10.119 31.040 81 HA ARG 10 HA ARG 10 4.143 -11.150 31.680 82 HB2 ARG 10 HB2 ARG 10 2.341 -12.195 30.374 83 HB3 ARG 10 HB3 ARG 10 2.625 -11.089 29.038 84 HG2 ARG 10 HG2 ARG 10 4.840 -12.128 28.637 85 HG3 ARG 10 HG3 ARG 10 4.584 -13.207 30.035 86 HD2 ARG 10 HD2 ARG 10 2.526 -14.086 28.980 87 HD3 ARG 10 HD3 ARG 10 2.754 -12.999 27.597 88 HE ARG 10 HE ARG 10 5.089 -14.573 27.839 89 HH11 ARG 10 HH21 ARG 10 1.656 -15.044 27.076 90 HH12 ARG 10 HH22 ARG 10 1.980 -16.425 26.062 91 HH21 ARG 10 HH11 ARG 10 5.430 -16.372 26.517 92 HH22 ARG 10 HH12 ARG 10 4.085 -17.166 25.755 93 H LYS 11 H LYS 11 5.853 -9.794 31.877 94 HA LYS 11 HA LYS 11 7.678 -8.552 31.424 95 HB2 LYS 11 HB2 LYS 11 7.959 -10.107 29.496 96 HB3 LYS 11 HB3 LYS 11 7.104 -8.955 28.458 97 HG2 LYS 11 HG2 LYS 11 8.842 -7.246 28.889 98 HG3 LYS 11 HG3 LYS 11 9.646 -8.335 30.026 99 HD2 LYS 11 HD2 LYS 11 10.842 -8.352 27.936 100 HD3 LYS 11 HD3 LYS 11 10.094 -9.935 28.182 101 HE2 LYS 11 HE2 LYS 11 8.253 -9.310 26.631 102 HE3 LYS 11 HE3 LYS 11 8.962 -7.702 26.425 103 HZ1 LYS 11 HZ1 LYS 11 9.583 -9.186 24.612 104 HZ2 LYS 11 HZ2 LYS 11 10.920 -8.765 25.448 105 HZ3 LYS 11 HZ3 LYS 11 10.268 -10.252 25.642 106 H THR 12 H THR 12 5.238 -7.502 28.998 107 HA THR 12 HA THR 12 5.784 -4.638 29.655 108 HB THR 12 HB THR 12 4.631 -4.206 27.458 109 HG1 THR 12 HG1 THR 12 3.496 -6.241 27.405 110 HG21 THR 12 HG21 THR 12 7.120 -4.389 27.633 111 HG22 THR 12 HG22 THR 12 6.995 -6.118 27.235 112 HG23 THR 12 HG23 THR 12 6.487 -4.890 26.058 113 H VAL 13 H VAL 13 3.939 -3.191 29.436 114 HA VAL 13 HA VAL 13 1.289 -4.299 30.207 115 HB VAL 13 HB VAL 13 2.308 -3.196 32.176 116 HG11 VAL 13 HG11 VAL 13 2.215 -0.604 30.581 117 HG12 VAL 13 HG12 VAL 13 2.643 -0.787 32.289 118 HG13 VAL 13 HG13 VAL 13 3.698 -1.470 31.044 119 HG21 VAL 13 HG21 VAL 13 0.418 -1.764 32.761 120 HG22 VAL 13 HG22 VAL 13 -0.067 -1.654 31.057 121 HG23 VAL 13 HG23 VAL 13 -0.135 -3.211 31.911 122 H LYS 14 H LYS 14 -0.446 -3.405 29.067 123 HA LYS 14 HA LYS 14 0.248 -1.598 26.790 124 HB2 LYS 14 HB2 LYS 14 0.380 -4.049 26.234 125 HB3 LYS 14 HB3 LYS 14 -1.318 -4.211 26.689 126 HG2 LYS 14 HG2 LYS 14 -1.923 -2.562 24.888 127 HG3 LYS 14 HG3 LYS 14 -0.212 -2.510 24.423 128 HD2 LYS 14 HD2 LYS 14 -0.285 -4.956 23.937 129 HD3 LYS 14 HD3 LYS 14 -2.000 -4.988 24.414 130 HE2 LYS 14 HE2 LYS 14 -2.496 -3.303 22.626 131 HE3 LYS 14 HE3 LYS 14 -0.801 -3.347 22.135 132 HZ1 LYS 14 HZ1 LYS 14 -2.677 -5.646 22.013 133 HZ2 LYS 14 HZ2 LYS 14 -2.142 -4.778 20.740 134 HZ3 LYS 14 HZ3 LYS 14 -1.092 -5.701 21.581 135 H CYS 15 H CYS 15 -1.130 0.051 26.455 136 HA CYS 15 HA CYS 15 -3.451 0.498 28.082 137 HB2 CYS 15 HB2 CYS 15 -2.138 2.274 27.259 138 HB3 CYS 15 HB3 CYS 15 -2.376 1.784 25.577 139 H PHE 16 H PHE 16 -5.598 0.314 27.733 140 HA PHE 16 HA PHE 16 -6.547 -1.455 25.586 141 HB2 PHE 16 HB2 PHE 16 -8.032 0.005 27.798 142 HB3 PHE 16 HB3 PHE 16 -8.698 -1.235 26.749 143 HD1 PHE 16 HD2 PHE 16 -5.709 -2.827 27.278 144 HD2 PHE 16 HD1 PHE 16 -9.106 -1.424 29.522 145 HE1 PHE 16 HE2 PHE 16 -5.286 -4.537 29.015 146 HE2 PHE 16 HE1 PHE 16 -8.740 -3.195 31.212 147 HZ PHE 16 HZ PHE 16 -6.800 -4.748 30.971 148 H ASN 17 H ASN 17 -6.441 2.050 26.134 149 HA ASN 17 HA ASN 17 -8.676 2.586 24.307 150 HB2 ASN 17 HB2 ASN 17 -8.283 4.032 26.267 151 HB3 ASN 17 HB3 ASN 17 -6.708 4.491 25.631 152 HD21 ASN 17 HD21 ASN 17 -7.492 6.766 25.670 153 HD22 ASN 17 HD22 ASN 17 -8.492 7.314 24.335 154 H CYS 18 H CYS 18 -5.120 3.301 24.213 155 HA CYS 18 HA CYS 18 -5.404 3.831 21.278 156 HB2 CYS 18 HB2 CYS 18 -3.506 5.119 21.344 157 HB3 CYS 18 HB3 CYS 18 -4.429 5.591 22.759 158 H GLY 19 H GLY 19 -4.127 1.404 23.364 159 HA2 GLY 19 HA2 GLY 19 -3.501 -0.739 22.692 160 HA3 GLY 19 HA3 GLY 19 -3.291 -0.169 21.024 161 H LYS 20 H LYS 20 -1.470 2.005 22.767 162 HA LYS 20 HA LYS 20 1.007 0.574 22.112 163 HB2 LYS 20 HB2 LYS 20 0.945 2.786 21.383 164 HB3 LYS 20 HB3 LYS 20 0.247 3.389 22.892 165 HG2 LYS 20 HG2 LYS 20 2.285 2.981 24.072 166 HG3 LYS 20 HG3 LYS 20 3.076 2.322 22.616 167 HD2 LYS 20 HD2 LYS 20 2.821 4.570 21.553 168 HD3 LYS 20 HD3 LYS 20 2.105 5.189 23.050 169 HE2 LYS 20 HE2 LYS 20 4.907 3.995 22.744 170 HE3 LYS 20 HE3 LYS 20 4.538 5.717 22.857 171 HZ1 LYS 20 HZ1 LYS 20 5.238 4.822 24.992 172 HZ2 LYS 20 HZ2 LYS 20 3.693 5.335 25.101 173 HZ3 LYS 20 HZ3 LYS 20 4.024 3.727 25.016 174 H GLU 21 H GLU 21 2.634 -0.005 23.461 175 HA GLU 21 HA GLU 21 2.163 -0.799 26.104 176 HB2 GLU 21 HB2 GLU 21 4.698 -0.522 24.493 177 HB3 GLU 21 HB3 GLU 21 4.565 -1.339 26.058 178 HG2 GLU 21 HG2 GLU 21 3.925 -3.126 25.011 179 HG3 GLU 21 HG3 GLU 21 2.388 -2.416 24.751 180 H GLY 22 H GLY 22 3.596 -0.462 27.845 181 HA2 GLY 22 HA2 GLY 22 4.999 0.675 29.320 182 HA3 GLY 22 HA3 GLY 22 5.052 2.059 28.201 183 H HIS 23 H HIS 23 1.833 1.299 28.799 184 HA HIS 23 HA HIS 23 1.464 2.730 31.287 185 HB2 HIS 23 HB2 HIS 23 0.501 4.752 30.387 186 HB3 HIS 23 HB3 HIS 23 2.055 4.558 29.625 187 HD1 HIS 23 HD1 HIS 23 1.898 3.543 26.987 188 HD2 HIS 23 HD2 HIS 23 -1.652 4.811 28.846 189 HE1 HIS 23 HE1 HIS 23 0.185 3.934 25.126 190 H ILE 24 H ILE 24 -0.963 3.412 31.400 191 HA ILE 24 HA ILE 24 -2.797 1.327 30.333 192 HB ILE 24 HB ILE 24 -3.920 1.259 32.527 193 HG12 ILE 24 HG12 ILE 24 -1.586 2.916 33.622 194 HG13 ILE 24 HG13 ILE 24 -3.237 3.490 33.389 195 HG21 ILE 24 HG21 ILE 24 -2.408 -0.262 33.589 196 HG22 ILE 24 HG22 ILE 24 -2.075 -0.364 31.859 197 HG23 ILE 24 HG23 ILE 24 -0.984 0.554 32.907 198 HD11 ILE 24 HD11 ILE 24 -2.385 1.309 35.323 199 HD12 ILE 24 HD12 ILE 24 -2.937 2.946 35.709 200 HD13 ILE 24 HD13 ILE 24 -4.071 1.782 34.996 201 H ALA 25 H ALA 25 -5.074 2.105 30.231 202 HA ALA 25 HA ALA 25 -5.244 4.616 29.105 203 HB1 ALA 25 HB1 ALA 25 -7.697 4.248 29.177 204 HB2 ALA 25 HB2 ALA 25 -6.850 2.742 28.776 205 HB3 ALA 25 HB3 ALA 25 -7.490 3.000 30.419 206 H LYS 26 H LYS 26 -5.616 3.919 32.546 207 HA LYS 26 HA LYS 26 -6.742 6.418 33.405 208 HB2 LYS 26 HB2 LYS 26 -6.471 4.170 34.640 209 HB3 LYS 26 HB3 LYS 26 -4.799 4.639 34.940 210 HG2 LYS 26 HG2 LYS 26 -5.585 6.649 36.171 211 HG3 LYS 26 HG3 LYS 26 -7.266 6.226 35.791 212 HD2 LYS 26 HD2 LYS 26 -6.934 4.042 37.015 213 HD3 LYS 26 HD3 LYS 26 -5.310 4.597 37.474 214 HE2 LYS 26 HE2 LYS 26 -6.341 6.590 38.589 215 HE3 LYS 26 HE3 LYS 26 -7.947 5.989 38.151 216 HZ1 LYS 26 HZ1 LYS 26 -7.508 4.017 39.512 217 HZ2 LYS 26 HZ2 LYS 26 -6.024 4.576 39.918 218 HZ3 LYS 26 HZ3 LYS 26 -7.360 5.369 40.417 219 H ASN 27 H ASN 27 -3.509 5.500 32.511 220 HA ASN 27 HA ASN 27 -2.248 8.013 33.468 221 HB2 ASN 27 HB2 ASN 27 -1.401 5.663 33.975 222 HB3 ASN 27 HB3 ASN 27 -1.061 5.493 32.257 223 HD21 ASN 27 HD22 ASN 27 1.086 4.981 33.380 224 HD22 ASN 27 HD21 ASN 27 2.167 6.332 33.614 225 H CYS 28 H CYS 28 -3.380 6.425 30.567 226 HA CYS 28 HA CYS 28 -1.876 7.573 28.526 227 HB2 CYS 28 HB2 CYS 28 -3.557 5.747 28.351 228 HB3 CYS 28 HB3 CYS 28 -4.843 6.952 28.462 229 H ARG 29 H ARG 29 -2.164 9.212 27.075 230 HA ARG 29 HA ARG 29 -3.710 11.630 27.932 231 HB2 ARG 29 HB2 ARG 29 -1.084 11.435 26.395 232 HB3 ARG 29 HB3 ARG 29 -1.971 12.931 26.720 233 HG2 ARG 29 HG2 ARG 29 -1.741 12.539 29.170 234 HG3 ARG 29 HG3 ARG 29 -0.771 11.091 28.838 235 HD2 ARG 29 HD2 ARG 29 0.884 12.472 27.617 236 HD3 ARG 29 HD3 ARG 29 -0.052 13.926 27.963 237 HE ARG 29 HE ARG 29 1.662 12.398 29.792 238 HH11 ARG 29 HH21 ARG 29 -0.879 14.862 29.691 239 HH12 ARG 29 HH22 ARG 29 -0.472 15.471 31.268 240 HH21 ARG 29 HH11 ARG 29 2.126 13.229 31.813 241 HH22 ARG 29 HH12 ARG 29 1.203 14.554 32.450 242 H ALA 30 H ALA 30 -3.889 9.162 25.665 243 HA ALA 30 HA ALA 30 -4.442 10.673 23.252 244 HB1 ALA 30 HB1 ALA 30 -5.242 7.834 24.047 245 HB2 ALA 30 HB2 ALA 30 -5.215 8.484 22.406 246 HB3 ALA 30 HB3 ALA 30 -3.696 8.285 23.292 247 HA PRO 31 HA PRO 31 -8.661 11.882 24.000 248 HB2 PRO 31 HB2 PRO 31 -9.897 11.551 21.560 249 HB3 PRO 31 HB3 PRO 31 -8.746 12.871 21.931 250 HG2 PRO 31 HG2 PRO 31 -8.168 10.225 20.563 251 HG3 PRO 31 HG3 PRO 31 -7.677 11.872 20.044 252 HD2 PRO 31 HD2 PRO 31 -5.973 10.272 21.392 253 HD3 PRO 31 HD3 PRO 31 -6.042 12.018 21.757 254 H ARG 32 H ARG 32 -10.588 11.017 24.636 255 HA ARG 32 HA ARG 32 -10.719 8.047 24.740 256 HB2 ARG 32 HB2 ARG 32 -12.183 10.076 26.444 257 HB3 ARG 32 HB3 ARG 32 -12.098 8.332 26.659 258 HG2 ARG 32 HG2 ARG 32 -9.600 8.519 26.917 259 HG3 ARG 32 HG3 ARG 32 -9.760 10.280 26.864 260 HD2 ARG 32 HD2 ARG 32 -11.241 10.207 28.851 261 HD3 ARG 32 HD3 ARG 32 -11.019 8.464 28.965 262 HE ARG 32 HE ARG 32 -9.223 10.535 29.852 263 HH11 ARG 32 HH21 ARG 32 -9.040 7.212 28.575 264 HH12 ARG 32 HH22 ARG 32 -7.521 6.940 29.403 265 HH21 ARG 32 HH11 ARG 32 -7.230 10.039 30.795 266 HH22 ARG 32 HH12 ARG 32 -6.554 8.446 30.564 267 H LYS 33 H LYS 33 -12.217 6.901 23.918 268 HA LYS 33 HA LYS 33 -13.704 7.841 21.692 269 HB2 LYS 33 HB2 LYS 33 -13.659 5.167 23.171 270 HB3 LYS 33 HB3 LYS 33 -14.444 5.413 21.607 271 HG2 LYS 33 HG2 LYS 33 -12.322 6.094 20.588 272 HG3 LYS 33 HG3 LYS 33 -11.478 5.887 22.128 273 HD2 LYS 33 HD2 LYS 33 -11.889 3.492 22.115 274 HD3 LYS 33 HD3 LYS 33 -12.978 3.638 20.732 275 HE2 LYS 33 HE2 LYS 33 -10.839 2.779 19.970 276 HE3 LYS 33 HE3 LYS 33 -11.135 4.379 19.289 277 HZ1 LYS 33 HZ1 LYS 33 -9.640 5.287 21.017 278 HZ2 LYS 33 HZ2 LYS 33 -9.329 3.786 21.577 279 HZ3 LYS 33 HZ3 LYS 33 -8.869 4.195 20.072 280 H LYS 34 H LYS 34 -16.018 6.981 21.260 281 HA LYS 34 HA LYS 34 -17.885 8.027 23.314 282 HB2 LYS 34 HB2 LYS 34 -18.322 7.103 20.435 283 HB3 LYS 34 HB3 LYS 34 -19.575 7.775 21.489 284 HG2 LYS 34 HG2 LYS 34 -18.289 9.896 21.683 285 HG3 LYS 34 HG3 LYS 34 -17.078 9.255 20.554 286 HD2 LYS 34 HD2 LYS 34 -18.825 9.011 18.810 287 HD3 LYS 34 HD3 LYS 34 -20.038 9.658 19.937 288 HE2 LYS 34 HE2 LYS 34 -18.738 11.772 20.115 289 HE3 LYS 34 HE3 LYS 34 -17.534 11.131 18.990 290 HZ1 LYS 34 HZ1 LYS 34 -20.390 11.614 18.336 291 HZ2 LYS 34 HZ2 LYS 34 -19.138 12.547 17.857 292 HZ3 LYS 34 HZ3 LYS 34 -19.276 11.020 17.294 293 H GLY 35 H GLY 35 -16.401 5.429 23.573 294 HA2 GLY 35 HA2 GLY 35 -18.516 3.755 24.646 295 HA3 GLY 35 HA3 GLY 35 -17.882 3.125 23.136 296 H CYS 36 H CYS 36 -17.697 1.490 24.982 297 HA CYS 36 HA CYS 36 -15.708 1.475 26.970 298 HB2 CYS 36 HB2 CYS 36 -17.648 0.065 26.840 299 HB3 CYS 36 HB3 CYS 36 -17.059 -0.701 25.369 300 H TRP 37 H TRP 37 -13.566 0.928 27.041 301 HA TRP 37 HA TRP 37 -12.102 0.343 24.545 302 HB2 TRP 37 HB2 TRP 37 -11.085 0.448 27.396 303 HB3 TRP 37 HB3 TRP 37 -10.130 0.494 25.924 304 HD1 TRP 37 HD1 TRP 37 -11.529 2.807 24.330 305 HE1 TRP 37 HE1 TRP 37 -11.419 5.233 25.157 306 HE3 TRP 37 HE3 TRP 37 -10.471 1.953 29.264 307 HZ2 TRP 37 HZ2 TRP 37 -11.121 6.604 27.650 308 HZ3 TRP 37 HZ3 TRP 37 -10.372 3.832 30.867 309 HH2 TRP 37 HH2 TRP 37 -10.739 6.176 30.078 310 H LYS 38 H LYS 38 -13.622 -1.548 27.038 311 HA LYS 38 HA LYS 38 -11.758 -3.826 26.739 312 HB2 LYS 38 HB2 LYS 38 -12.424 -3.081 28.939 313 HB3 LYS 38 HB3 LYS 38 -14.122 -3.378 28.621 314 HG2 LYS 38 HG2 LYS 38 -13.726 -5.785 28.419 315 HG3 LYS 38 HG3 LYS 38 -11.977 -5.539 28.458 316 HD2 LYS 38 HD2 LYS 38 -12.723 -6.366 30.612 317 HD3 LYS 38 HD3 LYS 38 -12.081 -4.738 30.762 318 HE2 LYS 38 HE2 LYS 38 -14.016 -4.932 32.162 319 HE3 LYS 38 HE3 LYS 38 -14.390 -3.816 30.855 320 HZ1 LYS 38 HZ1 LYS 38 -15.183 -6.680 30.821 321 HZ2 LYS 38 HZ2 LYS 38 -16.164 -5.492 31.354 322 HZ3 LYS 38 HZ3 LYS 38 -15.713 -5.504 29.797 323 H CYS 39 H CYS 39 -15.162 -3.103 25.920 324 HA CYS 39 HA CYS 39 -15.104 -5.576 24.177 325 HB2 CYS 39 HB2 CYS 39 -17.368 -5.871 24.335 326 HB3 CYS 39 HB3 CYS 39 -16.841 -5.589 25.985 327 H GLY 40 H GLY 40 -15.417 -2.110 24.021 328 HA2 GLY 40 HA2 GLY 40 -15.051 -0.887 22.028 329 HA3 GLY 40 HA3 GLY 40 -15.559 -2.280 21.060 330 H LYS 41 H LYS 41 -18.019 -2.191 23.200 331 HA LYS 41 HA LYS 41 -19.757 -0.853 21.273 332 HB2 LYS 41 HB2 LYS 41 -20.356 -2.170 23.937 333 HB3 LYS 41 HB3 LYS 41 -21.572 -1.624 22.782 334 HG2 LYS 41 HG2 LYS 41 -20.724 -3.228 21.102 335 HG3 LYS 41 HG3 LYS 41 -19.477 -3.779 22.239 336 HD2 LYS 41 HD2 LYS 41 -21.292 -4.397 23.864 337 HD3 LYS 41 HD3 LYS 41 -22.497 -4.018 22.627 338 HE2 LYS 41 HE2 LYS 41 -20.261 -6.087 22.370 339 HE3 LYS 41 HE3 LYS 41 -21.921 -6.458 22.842 340 HZ1 LYS 41 HZ1 LYS 41 -21.120 -5.319 20.221 341 HZ2 LYS 41 HZ2 LYS 41 -21.600 -6.856 20.488 342 HZ3 LYS 41 HZ3 LYS 41 -22.663 -5.631 20.674 343 H GLU 42 H GLU 42 -21.290 0.790 21.717 344 HA GLU 42 HA GLU 42 -20.151 3.038 23.170 345 HB2 GLU 42 HB2 GLU 42 -21.877 4.351 22.136 346 HB3 GLU 42 HB3 GLU 42 -21.112 3.305 20.946 347 HG2 GLU 42 HG2 GLU 42 -23.056 1.734 21.099 348 HG3 GLU 42 HG3 GLU 42 -23.820 2.812 22.271 349 H GLY 43 H GLY 43 -21.500 4.499 24.486 350 HA2 GLY 43 HA2 GLY 43 -23.152 5.084 25.964 351 HA3 GLY 43 HA3 GLY 43 -23.899 3.488 25.758 352 H HIS 44 H HIS 44 -20.695 3.020 26.837 353 HA HIS 44 HA HIS 44 -21.278 3.465 29.675 354 HB2 HIS 44 HB2 HIS 44 -21.142 1.132 30.332 355 HB3 HIS 44 HB3 HIS 44 -22.454 1.342 29.200 356 HD1 HIS 44 HD1 HIS 44 -22.149 0.112 26.799 357 HD2 HIS 44 HD2 HIS 44 -19.040 -0.371 29.574 358 HE1 HIS 44 HE1 HIS 44 -20.742 -1.861 25.983 359 H GLN 45 H GLN 45 -19.547 2.962 31.125 360 HA GLN 45 HA GLN 45 -16.806 3.168 29.964 361 HB2 GLN 45 HB2 GLN 45 -17.915 3.560 32.786 362 HB3 GLN 45 HB3 GLN 45 -16.196 3.506 32.409 363 HG2 GLN 45 HG2 GLN 45 -16.490 5.470 30.874 364 HG3 GLN 45 HG3 GLN 45 -18.177 5.567 31.360 365 HE21 GLN 45 HE22 GLN 45 -16.544 7.869 31.807 366 HE22 GLN 45 HE21 GLN 45 -16.279 7.964 33.534 367 H MET 46 H MET 46 -15.236 1.566 30.499 368 HA MET 46 HA MET 46 -16.299 -1.020 30.448 369 HB2 MET 46 HB2 MET 46 -14.007 -1.771 30.389 370 HB3 MET 46 HB3 MET 46 -14.264 -0.401 29.319 371 HG2 MET 46 HG2 MET 46 -13.161 1.098 30.875 372 HG3 MET 46 HG3 MET 46 -13.079 -0.178 32.096 373 HE1 MET 46 HE1 MET 46 -9.340 0.237 31.267 374 HE2 MET 46 HE2 MET 46 -10.626 1.417 31.594 375 HE3 MET 46 HE3 MET 46 -10.514 -0.068 32.559 376 H LYS 47 H LYS 47 -15.812 0.726 33.353 377 HA LYS 47 HA LYS 47 -15.599 -1.693 35.026 378 HB2 LYS 47 HB2 LYS 47 -16.059 -0.099 36.911 379 HB3 LYS 47 HB3 LYS 47 -14.578 0.140 36.028 380 HG2 LYS 47 HG2 LYS 47 -15.405 2.056 34.883 381 HG3 LYS 47 HG3 LYS 47 -17.072 1.783 35.459 382 HD2 LYS 47 HD2 LYS 47 -16.296 2.203 37.783 383 HD3 LYS 47 HD3 LYS 47 -14.648 2.470 37.186 384 HE2 LYS 47 HE2 LYS 47 -15.651 4.302 35.686 385 HE3 LYS 47 HE3 LYS 47 -17.151 4.114 36.589 386 HZ1 LYS 47 HZ1 LYS 47 -14.523 4.931 37.714 387 HZ2 LYS 47 HZ2 LYS 47 -15.833 5.887 37.524 388 HZ3 LYS 47 HZ3 LYS 47 -15.871 4.676 38.620 389 H ASP 48 H ASP 48 -18.193 0.053 33.503 390 HA ASP 48 HA ASP 48 -20.295 -1.214 35.173 391 HB2 ASP 48 HB2 ASP 48 -20.496 1.117 34.253 392 HB3 ASP 48 HB3 ASP 48 -20.494 0.437 32.625 393 H CYS 49 H CYS 49 -18.324 -1.985 32.511 394 HA CYS 49 HA CYS 49 -20.060 -3.845 31.103 395 HB2 CYS 49 HB2 CYS 49 -18.238 -2.464 30.129 396 HB3 CYS 49 HB3 CYS 49 -17.057 -3.437 30.981 397 H THR 50 H THR 50 -20.637 -4.842 33.273 398 HA THR 50 HA THR 50 -18.784 -7.019 34.143 399 HB THR 50 HB THR 50 -20.262 -7.100 36.140 400 HG1 THR 50 HG1 THR 50 -21.812 -5.450 36.349 401 HG21 THR 50 HG21 THR 50 -19.540 -5.006 37.148 402 HG22 THR 50 HG22 THR 50 -18.244 -5.625 36.110 403 HG23 THR 50 HG23 THR 50 -19.260 -4.276 35.554 404 H GLU 51 H GLU 51 -21.667 -6.654 32.307 405 HA GLU 51 HA GLU 51 -22.998 -9.049 33.115 406 HB2 GLU 51 HB2 GLU 51 -24.484 -8.673 31.251 407 HB3 GLU 51 HB3 GLU 51 -24.191 -7.182 32.140 408 HG2 GLU 51 HG2 GLU 51 -22.577 -6.457 30.369 409 HG3 GLU 51 HG3 GLU 51 -22.910 -7.945 29.475 410 H ARG 52 H ARG 52 -23.410 -10.971 31.981 411 HA ARG 52 HA ARG 52 -21.061 -12.236 30.863 412 HB2 ARG 52 HB2 ARG 52 -23.928 -13.217 31.182 413 HB3 ARG 52 HB3 ARG 52 -22.567 -14.221 30.667 414 HG2 ARG 52 HG2 ARG 52 -21.401 -13.761 32.813 415 HG3 ARG 52 HG3 ARG 52 -22.787 -12.796 33.358 416 HD2 ARG 52 HD2 ARG 52 -24.259 -14.778 33.133 417 HD3 ARG 52 HD3 ARG 52 -22.886 -15.757 32.619 418 HE ARG 52 HE ARG 52 -23.531 -14.820 35.327 419 HH11 ARG 52 HH21 ARG 52 -20.940 -16.211 33.352 420 HH12 ARG 52 HH22 ARG 52 -20.084 -16.808 34.742 421 HH21 ARG 52 HH11 ARG 52 -22.375 -15.612 37.065 422 HH22 ARG 52 HH12 ARG 52 -20.884 -16.469 36.812 423 H GLN 53 H GLN 53 -20.828 -13.233 28.845 424 HA GLN 53 HA GLN 53 -22.108 -11.938 26.519 425 HB2 GLN 53 HB2 GLN 53 -20.024 -14.157 26.750 426 HB3 GLN 53 HB3 GLN 53 -20.604 -13.470 25.231 427 HG2 GLN 53 HG2 GLN 53 -19.765 -11.231 25.903 428 HG3 GLN 53 HG3 GLN 53 -19.151 -11.908 27.416 429 HE21 GLN 53 HE22 GLN 53 -18.779 -12.116 23.819 430 HE22 GLN 53 HE21 GLN 53 -17.128 -12.707 23.906 431 H ALA 54 H ALA 54 -23.043 -13.286 24.770 432 HA ALA 54 HA ALA 54 -24.239 -15.866 25.438 433 HB1 ALA 54 HB1 ALA 54 -26.570 -15.059 25.186 434 HB2 ALA 54 HB2 ALA 54 -25.782 -14.282 26.568 435 HB3 ALA 54 HB3 ALA 54 -25.986 -13.388 25.045 436 H ASN 55 H ASN 55 -25.545 -16.709 23.635 437 HA ASN 55 HA ASN 55 -25.223 -15.602 20.944 438 HB2 ASN 55 HB2 ASN 55 -22.995 -16.585 21.333 439 HB3 ASN 55 HB3 ASN 55 -23.732 -18.121 21.773 440 HD21 ASN 55 HD22 ASN 55 -25.243 -19.023 19.994 441 HD22 ASN 55 HD21 ASN 55 -24.563 -18.968 18.356 442 H9 1HF 103 H9 1HF 58 -9.747 4.187 36.109 443 H12 1HF 103 H12 1HF 58 -8.860 6.250 31.417 444 H4 1HF 103 H4 1HF 58 -5.865 -2.612 34.184 445 H6 1HF 103 H6 1HF 58 -2.305 -4.741 32.939 446 H7 1HF 103 H7 1HF 58 -2.266 -3.430 30.803 447 H1 1HF 103 H1 1HF 58 -3.636 -1.522 29.430 448 H8 1HF 103 H8 1HF 58 -8.089 -0.242 36.120 449 H11 1HF 103 H11 1HF 58 -10.070 7.954 33.193 450 H10 1HF 103 H10 1HF 58 -10.341 6.433 35.486 451 H9 1HF 104 H9 1HF 59 -12.041 2.236 36.903 452 H12 1HF 104 H12 1HF 59 -12.533 -1.922 33.804 453 H4 1HF 104 H4 1HF 59 -14.266 7.068 30.794 454 H6 1HF 104 H6 1HF 59 -14.759 8.768 26.847 455 H7 1HF 104 H7 1HF 59 -14.369 6.520 25.829 456 H1 1HF 104 H1 1HF 59 -14.296 3.849 26.481 457 H8 1HF 104 H8 1HF 59 -13.363 6.007 34.334 458 H11 1HF 104 H11 1HF 59 -11.850 -2.514 36.409 459 H10 1HF 104 H10 1HF 59 -11.657 -0.026 37.617 Start of MODEL 2 1 H1 ILE 1 H1 ILE 1 -7.799 -15.812 10.309 2 H2 ILE 1 H2 ILE 1 -7.715 -14.194 10.047 3 H3 ILE 1 H3 ILE 1 -8.573 -14.774 11.307 4 HA ILE 1 HA ILE 1 -6.634 -15.579 12.402 5 HB ILE 1 HB ILE 1 -5.410 -16.119 10.315 6 HG12 ILE 1 HG13 ILE 1 -3.221 -15.703 11.040 7 HG13 ILE 1 HG12 ILE 1 -3.688 -14.482 12.248 8 HG21 ILE 1 HG21 ILE 1 -4.627 -13.169 10.213 9 HG22 ILE 1 HG22 ILE 1 -4.008 -14.470 9.185 10 HG23 ILE 1 HG23 ILE 1 -5.698 -13.992 9.055 11 HD11 ILE 1 HD11 ILE 1 -4.885 -16.224 13.544 12 HD12 ILE 1 HD12 ILE 1 -4.443 -17.439 12.321 13 HD13 ILE 1 HD13 ILE 1 -3.185 -16.652 13.294 14 H GLN 2 H GLN 2 -5.481 -14.248 13.931 15 HA GLN 2 HA GLN 2 -5.457 -11.356 13.674 16 HB2 GLN 2 HB2 GLN 2 -7.836 -11.844 14.329 17 HB3 GLN 2 HB3 GLN 2 -7.256 -12.698 15.752 18 HG2 GLN 2 HG2 GLN 2 -8.080 -10.433 16.268 19 HG3 GLN 2 HG3 GLN 2 -6.392 -10.612 16.706 20 HE21 GLN 2 HE22 GLN 2 -8.644 -9.026 14.421 21 HE22 GLN 2 HE21 GLN 2 -7.439 -7.915 13.787 22 H LYS 3 H LYS 3 -4.300 -10.370 15.503 23 HA LYS 3 HA LYS 3 -1.949 -11.847 16.133 24 HB2 LYS 3 HB2 LYS 3 -3.020 -9.211 17.236 25 HB3 LYS 3 HB3 LYS 3 -1.365 -9.798 17.434 26 HG2 LYS 3 HG2 LYS 3 -1.049 -9.789 14.970 27 HG3 LYS 3 HG3 LYS 3 -2.696 -9.167 14.764 28 HD2 LYS 3 HD2 LYS 3 -2.078 -7.148 16.121 29 HD3 LYS 3 HD3 LYS 3 -0.434 -7.783 16.261 30 HE2 LYS 3 HE2 LYS 3 -0.395 -6.156 14.515 31 HE3 LYS 3 HE3 LYS 3 -0.227 -7.744 13.761 32 HZ1 LYS 3 HZ1 LYS 3 -2.598 -7.633 13.183 33 HZ2 LYS 3 HZ2 LYS 3 -2.747 -6.171 13.902 34 HZ3 LYS 3 HZ3 LYS 3 -1.811 -6.339 12.573 35 H GLY 4 H GLY 4 -4.904 -11.744 17.911 36 HA2 GLY 4 HA2 GLY 4 -5.555 -12.890 19.839 37 HA3 GLY 4 HA3 GLY 4 -3.908 -13.535 19.984 38 H ASN 5 H ASN 5 -4.298 -13.204 22.286 39 HA ASN 5 HA ASN 5 -4.534 -10.582 23.445 40 HB2 ASN 5 HB2 ASN 5 -5.192 -12.616 24.640 41 HB3 ASN 5 HB3 ASN 5 -3.532 -13.218 24.587 42 HD21 ASN 5 HD22 ASN 5 -2.655 -13.062 26.636 43 HD22 ASN 5 HD21 ASN 5 -2.835 -11.666 27.680 44 H PHE 6 H PHE 6 -3.061 -9.037 23.742 45 HA PHE 6 HA PHE 6 -0.265 -9.374 22.957 46 HB2 PHE 6 HB2 PHE 6 -1.761 -7.004 24.149 47 HB3 PHE 6 HB3 PHE 6 -0.139 -6.955 23.473 48 HD1 PHE 6 HD1 PHE 6 0.141 -7.742 20.980 49 HD2 PHE 6 HD2 PHE 6 -3.607 -6.513 22.730 50 HE1 PHE 6 HE1 PHE 6 -0.764 -7.269 18.719 51 HE2 PHE 6 HE2 PHE 6 -4.506 -6.044 20.467 52 HZ PHE 6 HZ PHE 6 -3.090 -6.421 18.457 53 H ARG 7 H ARG 7 1.524 -8.609 24.336 54 HA ARG 7 HA ARG 7 1.506 -9.803 26.995 55 HB2 ARG 7 HB2 ARG 7 3.664 -8.197 25.570 56 HB3 ARG 7 HB3 ARG 7 3.872 -9.121 27.058 57 HG2 ARG 7 HG2 ARG 7 3.226 -10.258 24.304 58 HG3 ARG 7 HG3 ARG 7 4.774 -10.321 25.145 59 HD2 ARG 7 HD2 ARG 7 3.722 -11.688 26.951 60 HD3 ARG 7 HD3 ARG 7 2.200 -11.686 26.031 61 HE ARG 7 HE ARG 7 4.335 -12.588 24.361 62 HH11 ARG 7 HH11 ARG 7 2.368 -13.782 27.052 63 HH12 ARG 7 HH12 ARG 7 2.576 -15.443 26.581 64 HH21 ARG 7 HH21 ARG 7 4.559 -14.747 23.813 65 HH22 ARG 7 HH22 ARG 7 3.801 -15.978 24.776 66 H ASN 8 H ASN 8 -0.309 -8.434 27.657 67 HA ASN 8 HA ASN 8 0.464 -5.741 28.660 68 HB2 ASN 8 HB2 ASN 8 -1.836 -5.230 28.743 69 HB3 ASN 8 HB3 ASN 8 -1.588 -6.070 27.219 70 HD21 ASN 8 HD22 ASN 8 -2.387 -8.388 27.073 71 HD22 ASN 8 HD21 ASN 8 -3.674 -8.852 28.155 72 H GLN 9 H GLN 9 0.331 -8.888 29.846 73 HA GLN 9 HA GLN 9 -0.244 -8.067 32.680 74 HB2 GLN 9 HB2 GLN 9 -0.349 -10.796 31.304 75 HB3 GLN 9 HB3 GLN 9 -0.593 -10.525 33.026 76 HG2 GLN 9 HG2 GLN 9 -2.352 -9.400 30.798 77 HG3 GLN 9 HG3 GLN 9 -2.712 -10.819 31.765 78 HE21 GLN 9 HE22 GLN 9 -3.484 -7.572 31.524 79 HE22 GLN 9 HE21 GLN 9 -3.933 -7.312 33.217 80 H ARG 10 H ARG 10 1.829 -10.434 30.883 81 HA ARG 10 HA ARG 10 3.807 -10.442 33.028 82 HB2 ARG 10 HB2 ARG 10 3.142 -12.479 31.794 83 HB3 ARG 10 HB3 ARG 10 3.815 -11.803 30.303 84 HG2 ARG 10 HG2 ARG 10 6.072 -11.755 31.335 85 HG3 ARG 10 HG3 ARG 10 5.393 -12.360 32.861 86 HD2 ARG 10 HD2 ARG 10 4.677 -14.436 31.713 87 HD3 ARG 10 HD3 ARG 10 5.351 -13.826 30.187 88 HE ARG 10 HE ARG 10 7.391 -13.735 32.156 89 HH11 ARG 10 HH21 ARG 10 5.594 -16.220 30.390 90 HH12 ARG 10 HH22 ARG 10 6.892 -17.371 30.507 91 HH21 ARG 10 HH11 ARG 10 9.025 -15.267 32.271 92 HH22 ARG 10 HH12 ARG 10 8.806 -16.836 31.557 93 H LYS 11 H LYS 11 5.488 -9.188 33.176 94 HA LYS 11 HA LYS 11 7.271 -7.862 32.839 95 HB2 LYS 11 HB2 LYS 11 7.882 -9.696 31.267 96 HB3 LYS 11 HB3 LYS 11 7.206 -8.764 29.926 97 HG2 LYS 11 HG2 LYS 11 8.821 -6.930 30.390 98 HG3 LYS 11 HG3 LYS 11 9.484 -7.864 31.746 99 HD2 LYS 11 HD2 LYS 11 10.074 -9.700 30.159 100 HD3 LYS 11 HD3 LYS 11 9.500 -8.717 28.809 101 HE2 LYS 11 HE2 LYS 11 11.750 -7.933 30.730 102 HE3 LYS 11 HE3 LYS 11 11.999 -8.705 29.163 103 HZ1 LYS 11 HZ1 LYS 11 10.764 -6.037 29.561 104 HZ2 LYS 11 HZ2 LYS 11 12.260 -6.324 28.982 105 HZ3 LYS 11 HZ3 LYS 11 10.957 -6.774 28.109 106 H THR 12 H THR 12 5.504 -7.303 29.770 107 HA THR 12 HA THR 12 5.747 -4.356 30.094 108 HB THR 12 HB THR 12 4.863 -4.424 27.669 109 HG1 THR 12 HG1 THR 12 4.081 -6.512 27.604 110 HG21 THR 12 HG21 THR 12 7.052 -5.003 26.753 111 HG22 THR 12 HG22 THR 12 7.246 -4.051 28.234 112 HG23 THR 12 HG23 THR 12 7.514 -5.810 28.266 113 H VAL 13 H VAL 13 3.859 -3.088 29.292 114 HA VAL 13 HA VAL 13 1.204 -4.205 29.960 115 HB VAL 13 HB VAL 13 2.113 -3.128 32.018 116 HG11 VAL 13 HG11 VAL 13 1.921 -0.486 30.515 117 HG12 VAL 13 HG12 VAL 13 2.317 -0.721 32.223 118 HG13 VAL 13 HG13 VAL 13 3.439 -1.287 30.977 119 HG21 VAL 13 HG21 VAL 13 -0.292 -3.308 31.641 120 HG22 VAL 13 HG22 VAL 13 0.104 -1.840 32.543 121 HG23 VAL 13 HG23 VAL 13 -0.309 -1.729 30.820 122 H LYS 14 H LYS 14 -0.423 -3.387 28.665 123 HA LYS 14 HA LYS 14 0.262 -1.237 26.720 124 HB2 LYS 14 HB2 LYS 14 0.523 -3.548 25.761 125 HB3 LYS 14 HB3 LYS 14 -1.166 -3.864 26.153 126 HG2 LYS 14 HG2 LYS 14 -1.827 -1.933 24.671 127 HG3 LYS 14 HG3 LYS 14 -0.142 -1.792 24.172 128 HD2 LYS 14 HD2 LYS 14 -1.683 -4.402 23.927 129 HD3 LYS 14 HD3 LYS 14 -1.888 -3.148 22.728 130 HE2 LYS 14 HE2 LYS 14 0.842 -4.337 23.413 131 HE3 LYS 14 HE3 LYS 14 -0.237 -4.975 22.168 132 HZ1 LYS 14 HZ1 LYS 14 1.131 -2.359 22.133 133 HZ2 LYS 14 HZ2 LYS 14 1.153 -3.537 21.017 134 HZ3 LYS 14 HZ3 LYS 14 -0.197 -2.622 21.225 135 H CYS 15 H CYS 15 -1.212 0.296 26.408 136 HA CYS 15 HA CYS 15 -3.519 0.608 28.050 137 HB2 CYS 15 HB2 CYS 15 -2.250 2.418 27.216 138 HB3 CYS 15 HB3 CYS 15 -2.534 1.949 25.536 139 H PHE 16 H PHE 16 -5.678 0.347 27.732 140 HA PHE 16 HA PHE 16 -6.602 -1.337 25.495 141 HB2 PHE 16 HB2 PHE 16 -8.191 -0.103 27.759 142 HB3 PHE 16 HB3 PHE 16 -8.692 -1.402 26.683 143 HD1 PHE 16 HD2 PHE 16 -5.761 -2.872 27.100 144 HD2 PHE 16 HD1 PHE 16 -8.977 -1.454 29.595 145 HE1 PHE 16 HE2 PHE 16 -5.167 -4.538 28.845 146 HE2 PHE 16 HE1 PHE 16 -8.401 -3.145 31.312 147 HZ PHE 16 HZ PHE 16 -6.482 -4.693 30.933 148 H ASN 17 H ASN 17 -6.511 2.109 26.213 149 HA ASN 17 HA ASN 17 -8.830 2.765 24.536 150 HB2 ASN 17 HB2 ASN 17 -8.318 4.146 26.506 151 HB3 ASN 17 HB3 ASN 17 -6.737 4.538 25.851 152 HD21 ASN 17 HD21 ASN 17 -6.885 6.747 25.396 153 HD22 ASN 17 HD22 ASN 17 -8.089 7.402 24.299 154 H CYS 18 H CYS 18 -5.262 3.305 24.269 155 HA CYS 18 HA CYS 18 -5.673 3.896 21.352 156 HB2 CYS 18 HB2 CYS 18 -3.795 5.229 21.357 157 HB3 CYS 18 HB3 CYS 18 -4.717 5.697 22.774 158 H GLY 19 H GLY 19 -4.384 1.429 23.342 159 HA2 GLY 19 HA2 GLY 19 -3.698 -0.670 22.611 160 HA3 GLY 19 HA3 GLY 19 -3.559 -0.052 20.953 161 H LYS 20 H LYS 20 -1.786 1.917 23.108 162 HA LYS 20 HA LYS 20 0.750 0.676 22.153 163 HB2 LYS 20 HB2 LYS 20 0.034 3.473 23.071 164 HB3 LYS 20 HB3 LYS 20 1.684 2.955 22.703 165 HG2 LYS 20 HG2 LYS 20 0.999 2.356 20.417 166 HG3 LYS 20 HG3 LYS 20 -0.653 2.897 20.736 167 HD2 LYS 20 HD2 LYS 20 1.826 4.672 20.853 168 HD3 LYS 20 HD3 LYS 20 0.714 4.552 19.480 169 HE2 LYS 20 HE2 LYS 20 -1.166 5.300 20.947 170 HE3 LYS 20 HE3 LYS 20 -0.041 5.480 22.290 171 HZ1 LYS 20 HZ1 LYS 20 0.102 6.994 19.741 172 HZ2 LYS 20 HZ2 LYS 20 -0.414 7.588 21.173 173 HZ3 LYS 20 HZ3 LYS 20 1.151 7.157 20.986 174 H GLU 21 H GLU 21 2.481 0.253 23.396 175 HA GLU 21 HA GLU 21 2.259 -0.659 25.984 176 HB2 GLU 21 HB2 GLU 21 4.649 -0.012 24.280 177 HB3 GLU 21 HB3 GLU 21 4.711 -0.870 25.829 178 HG2 GLU 21 HG2 GLU 21 4.341 -2.680 24.657 179 HG3 GLU 21 HG3 GLU 21 2.678 -2.269 24.716 180 H GLY 22 H GLY 22 3.669 -0.235 27.759 181 HA2 GLY 22 HA2 GLY 22 4.945 0.947 29.280 182 HA3 GLY 22 HA3 GLY 22 4.981 2.325 28.156 183 H HIS 23 H HIS 23 1.768 1.468 28.799 184 HA HIS 23 HA HIS 23 1.365 3.038 31.202 185 HB2 HIS 23 HB2 HIS 23 0.476 5.017 30.225 186 HB3 HIS 23 HB3 HIS 23 1.987 4.758 29.413 187 HD1 HIS 23 HD1 HIS 23 1.745 3.839 26.798 188 HD2 HIS 23 HD2 HIS 23 -1.789 4.932 28.813 189 HE1 HIS 23 HE1 HIS 23 -0.040 4.218 25.011 190 H ILE 24 H ILE 24 -1.093 3.688 31.305 191 HA ILE 24 HA ILE 24 -2.858 1.576 30.177 192 HB ILE 24 HB ILE 24 -4.016 1.352 32.329 193 HG12 ILE 24 HG12 ILE 24 -1.730 2.880 33.644 194 HG13 ILE 24 HG13 ILE 24 -3.324 3.563 33.323 195 HG21 ILE 24 HG21 ILE 24 -2.136 -0.200 31.607 196 HG22 ILE 24 HG22 ILE 24 -1.073 0.674 32.719 197 HG23 ILE 24 HG23 ILE 24 -2.490 -0.203 33.337 198 HD11 ILE 24 HD11 ILE 24 -2.745 1.208 35.157 199 HD12 ILE 24 HD12 ILE 24 -3.225 2.845 35.624 200 HD13 ILE 24 HD13 ILE 24 -4.371 1.812 34.747 201 H ALA 25 H ALA 25 -5.160 2.251 30.133 202 HA ALA 25 HA ALA 25 -5.423 4.768 29.069 203 HB1 ALA 25 HB1 ALA 25 -7.859 4.342 29.173 204 HB2 ALA 25 HB2 ALA 25 -6.988 2.858 28.748 205 HB3 ALA 25 HB3 ALA 25 -7.609 3.090 30.404 206 H LYS 26 H LYS 26 -5.620 4.030 32.492 207 HA LYS 26 HA LYS 26 -6.905 6.395 33.450 208 HB2 LYS 26 HB2 LYS 26 -6.426 4.189 34.643 209 HB3 LYS 26 HB3 LYS 26 -4.768 4.757 34.869 210 HG2 LYS 26 HG2 LYS 26 -5.592 6.699 36.151 211 HG3 LYS 26 HG3 LYS 26 -7.271 6.214 35.837 212 HD2 LYS 26 HD2 LYS 26 -6.825 4.044 37.013 213 HD3 LYS 26 HD3 LYS 26 -5.205 4.612 37.426 214 HE2 LYS 26 HE2 LYS 26 -7.823 5.980 38.234 215 HE3 LYS 26 HE3 LYS 26 -6.930 4.850 39.254 216 HZ1 LYS 26 HZ1 LYS 26 -5.884 7.460 38.302 217 HZ2 LYS 26 HZ2 LYS 26 -6.375 7.121 39.820 218 HZ3 LYS 26 HZ3 LYS 26 -5.046 6.392 39.218 219 H ASN 27 H ASN 27 -3.481 5.793 32.669 220 HA ASN 27 HA ASN 27 -2.880 8.666 33.202 221 HB2 ASN 27 HB2 ASN 27 -0.572 8.000 33.607 222 HB3 ASN 27 HB3 ASN 27 -1.724 7.247 34.701 223 HD21 ASN 27 HD22 ASN 27 -0.210 5.603 35.287 224 HD22 ASN 27 HD21 ASN 27 0.176 4.309 34.170 225 H CYS 28 H CYS 28 -3.522 6.663 30.641 226 HA CYS 28 HA CYS 28 -1.899 7.452 28.527 227 HB2 CYS 28 HB2 CYS 28 -3.762 5.866 28.401 228 HB3 CYS 28 HB3 CYS 28 -4.927 7.175 28.614 229 H ARG 29 H ARG 29 -1.944 9.061 26.976 230 HA ARG 29 HA ARG 29 -3.137 11.707 27.736 231 HB2 ARG 29 HB2 ARG 29 -0.608 11.125 26.149 232 HB3 ARG 29 HB3 ARG 29 -1.228 12.723 26.539 233 HG2 ARG 29 HG2 ARG 29 -0.197 10.705 28.589 234 HG3 ARG 29 HG3 ARG 29 0.706 12.043 27.901 235 HD2 ARG 29 HD2 ARG 29 0.026 12.776 30.023 236 HD3 ARG 29 HD3 ARG 29 -1.000 13.640 28.866 237 HE ARG 29 HE ARG 29 -2.385 11.300 29.608 238 HH11 ARG 29 HH21 ARG 29 -1.327 14.202 31.337 239 HH12 ARG 29 HH22 ARG 29 -2.642 14.089 32.470 240 HH21 ARG 29 HH11 ARG 29 -4.011 11.231 30.992 241 HH22 ARG 29 HH12 ARG 29 -4.164 12.395 32.291 242 H ALA 30 H ALA 30 -3.649 9.217 25.562 243 HA ALA 30 HA ALA 30 -4.130 10.844 23.157 244 HB1 ALA 30 HB1 ALA 30 -3.330 8.471 23.055 245 HB2 ALA 30 HB2 ALA 30 -4.855 7.950 23.805 246 HB3 ALA 30 HB3 ALA 30 -4.866 8.692 22.204 247 HA PRO 31 HA PRO 31 -8.410 11.808 24.084 248 HB2 PRO 31 HB2 PRO 31 -9.684 11.563 21.658 249 HB3 PRO 31 HB3 PRO 31 -8.594 12.920 22.080 250 HG2 PRO 31 HG2 PRO 31 -7.914 10.397 20.537 251 HG3 PRO 31 HG3 PRO 31 -7.526 12.096 20.110 252 HD2 PRO 31 HD2 PRO 31 -5.707 10.503 21.318 253 HD3 PRO 31 HD3 PRO 31 -5.846 12.223 21.776 254 H ARG 32 H ARG 32 -10.231 10.744 24.747 255 HA ARG 32 HA ARG 32 -10.182 7.777 24.616 256 HB2 ARG 32 HB2 ARG 32 -11.707 9.630 26.439 257 HB3 ARG 32 HB3 ARG 32 -11.667 7.861 26.481 258 HG2 ARG 32 HG2 ARG 32 -9.279 7.843 26.961 259 HG3 ARG 32 HG3 ARG 32 -9.209 9.612 26.888 260 HD2 ARG 32 HD2 ARG 32 -10.660 9.833 28.795 261 HD3 ARG 32 HD3 ARG 32 -10.980 8.093 28.847 262 HE ARG 32 HE ARG 32 -8.281 8.128 29.098 263 HH11 ARG 32 HH21 ARG 32 -10.799 9.826 30.923 264 HH12 ARG 32 HH22 ARG 32 -9.723 10.161 32.257 265 HH21 ARG 32 HH11 ARG 32 -7.080 8.291 30.962 266 HH22 ARG 32 HH12 ARG 32 -7.633 9.284 32.284 267 H LYS 33 H LYS 33 -11.692 6.531 23.916 268 HA LYS 33 HA LYS 33 -13.333 7.279 21.744 269 HB2 LYS 33 HB2 LYS 33 -13.190 4.784 23.494 270 HB3 LYS 33 HB3 LYS 33 -14.223 4.879 22.063 271 HG2 LYS 33 HG2 LYS 33 -12.329 5.335 20.619 272 HG3 LYS 33 HG3 LYS 33 -11.217 5.366 22.000 273 HD2 LYS 33 HD2 LYS 33 -11.470 3.020 22.391 274 HD3 LYS 33 HD3 LYS 33 -12.897 2.920 21.353 275 HE2 LYS 33 HE2 LYS 33 -10.966 1.936 20.231 276 HE3 LYS 33 HE3 LYS 33 -11.567 3.345 19.354 277 HZ1 LYS 33 HZ1 LYS 33 -9.191 3.350 21.147 278 HZ2 LYS 33 HZ2 LYS 33 -9.149 3.345 19.513 279 HZ3 LYS 33 HZ3 LYS 33 -9.745 4.641 20.307 280 H LYS 34 H LYS 34 -15.656 6.708 21.453 281 HA LYS 34 HA LYS 34 -17.373 7.908 23.570 282 HB2 LYS 34 HB2 LYS 34 -17.704 7.352 20.596 283 HB3 LYS 34 HB3 LYS 34 -19.096 7.672 21.615 284 HG2 LYS 34 HG2 LYS 34 -18.482 9.693 20.539 285 HG3 LYS 34 HG3 LYS 34 -18.233 9.851 22.276 286 HD2 LYS 34 HD2 LYS 34 -15.809 9.671 21.995 287 HD3 LYS 34 HD3 LYS 34 -16.006 9.318 20.259 288 HE2 LYS 34 HE2 LYS 34 -17.045 11.552 19.941 289 HE3 LYS 34 HE3 LYS 34 -16.880 11.885 21.669 290 HZ1 LYS 34 HZ1 LYS 34 -14.620 11.432 19.795 291 HZ2 LYS 34 HZ2 LYS 34 -15.070 12.878 20.408 292 HZ3 LYS 34 HZ3 LYS 34 -14.463 11.730 21.399 293 H GLY 35 H GLY 35 -16.167 5.224 23.861 294 HA2 GLY 35 HA2 GLY 35 -18.454 3.707 24.793 295 HA3 GLY 35 HA3 GLY 35 -17.798 3.047 23.304 296 H CYS 36 H CYS 36 -17.805 1.369 25.105 297 HA CYS 36 HA CYS 36 -15.883 1.176 27.159 298 HB2 CYS 36 HB2 CYS 36 -17.895 -0.127 26.933 299 HB3 CYS 36 HB3 CYS 36 -17.285 -0.909 25.480 300 H TRP 37 H TRP 37 -13.773 0.611 27.241 301 HA TRP 37 HA TRP 37 -12.283 -0.028 24.788 302 HB2 TRP 37 HB2 TRP 37 -11.371 0.006 27.682 303 HB3 TRP 37 HB3 TRP 37 -10.357 -0.016 26.244 304 HD1 TRP 37 HD1 TRP 37 -11.523 2.300 24.555 305 HE1 TRP 37 HE1 TRP 37 -11.156 4.731 25.287 306 HE3 TRP 37 HE3 TRP 37 -10.795 1.554 29.567 307 HZ2 TRP 37 HZ2 TRP 37 -10.804 6.166 27.733 308 HZ3 TRP 37 HZ3 TRP 37 -10.528 3.493 31.096 309 HH2 TRP 37 HH2 TRP 37 -10.568 5.813 30.181 310 H LYS 38 H LYS 38 -13.947 -1.917 27.185 311 HA LYS 38 HA LYS 38 -12.099 -4.209 26.865 312 HB2 LYS 38 HB2 LYS 38 -12.793 -3.183 29.089 313 HB3 LYS 38 HB3 LYS 38 -14.372 -3.903 28.873 314 HG2 LYS 38 HG2 LYS 38 -13.105 -5.332 30.285 315 HG3 LYS 38 HG3 LYS 38 -13.208 -6.172 28.734 316 HD2 LYS 38 HD2 LYS 38 -10.893 -5.440 28.186 317 HD3 LYS 38 HD3 LYS 38 -10.833 -4.492 29.689 318 HE2 LYS 38 HE2 LYS 38 -11.115 -6.579 31.005 319 HE3 LYS 38 HE3 LYS 38 -11.190 -7.520 29.507 320 HZ1 LYS 38 HZ1 LYS 38 -8.851 -5.916 30.390 321 HZ2 LYS 38 HZ2 LYS 38 -8.963 -7.546 30.470 322 HZ3 LYS 38 HZ3 LYS 38 -8.920 -6.803 29.015 323 H CYS 39 H CYS 39 -15.442 -3.386 26.051 324 HA CYS 39 HA CYS 39 -15.473 -5.932 24.428 325 HB2 CYS 39 HB2 CYS 39 -17.712 -6.251 24.667 326 HB3 CYS 39 HB3 CYS 39 -17.190 -5.849 26.294 327 H GLY 40 H GLY 40 -15.692 -2.478 24.227 328 HA2 GLY 40 HA2 GLY 40 -15.302 -1.298 22.230 329 HA3 GLY 40 HA3 GLY 40 -15.868 -2.680 21.276 330 H LYS 41 H LYS 41 -18.308 -2.416 23.446 331 HA LYS 41 HA LYS 41 -20.029 -1.085 21.516 332 HB2 LYS 41 HB2 LYS 41 -20.549 -2.224 24.277 333 HB3 LYS 41 HB3 LYS 41 -21.813 -1.609 23.205 334 HG2 LYS 41 HG2 LYS 41 -21.237 -3.287 21.500 335 HG3 LYS 41 HG3 LYS 41 -19.917 -3.897 22.508 336 HD2 LYS 41 HD2 LYS 41 -21.565 -4.535 24.275 337 HD3 LYS 41 HD3 LYS 41 -22.873 -3.924 23.250 338 HE2 LYS 41 HE2 LYS 41 -22.817 -6.295 22.940 339 HE3 LYS 41 HE3 LYS 41 -22.181 -5.556 21.465 340 HZ1 LYS 41 HZ1 LYS 41 -20.765 -7.361 22.086 341 HZ2 LYS 41 HZ2 LYS 41 -19.914 -6.002 22.435 342 HZ3 LYS 41 HZ3 LYS 41 -20.632 -6.870 23.631 343 H GLU 42 H GLU 42 -21.448 0.691 21.897 344 HA GLU 42 HA GLU 42 -19.934 2.950 22.788 345 HB2 GLU 42 HB2 GLU 42 -21.694 4.295 21.863 346 HB3 GLU 42 HB3 GLU 42 -21.304 2.970 20.773 347 HG2 GLU 42 HG2 GLU 42 -23.323 1.727 21.594 348 HG3 GLU 42 HG3 GLU 42 -23.715 3.089 22.646 349 H GLY 43 H GLY 43 -20.690 4.739 24.057 350 HA2 GLY 43 HA2 GLY 43 -21.802 5.872 25.711 351 HA3 GLY 43 HA3 GLY 43 -22.912 4.501 25.887 352 H HIS 44 H HIS 44 -21.514 2.470 26.852 353 HA HIS 44 HA HIS 44 -21.224 3.430 29.586 354 HB2 HIS 44 HB2 HIS 44 -21.397 1.114 30.218 355 HB3 HIS 44 HB3 HIS 44 -22.608 1.489 29.011 356 HD1 HIS 44 HD1 HIS 44 -22.663 -0.223 27.022 357 HD2 HIS 44 HD2 HIS 44 -19.159 -0.276 29.319 358 HE1 HIS 44 HE1 HIS 44 -21.340 -2.284 26.281 359 H GLN 45 H GLN 45 -19.622 2.643 31.126 360 HA GLN 45 HA GLN 45 -16.828 2.757 30.079 361 HB2 GLN 45 HB2 GLN 45 -18.002 3.129 32.876 362 HB3 GLN 45 HB3 GLN 45 -16.276 3.054 32.524 363 HG2 GLN 45 HG2 GLN 45 -16.542 5.032 30.982 364 HG3 GLN 45 HG3 GLN 45 -18.220 5.157 31.492 365 HE21 GLN 45 HE22 GLN 45 -16.561 7.381 31.883 366 HE22 GLN 45 HE21 GLN 45 -16.235 7.530 33.595 367 H MET 46 H MET 46 -15.316 1.130 30.639 368 HA MET 46 HA MET 46 -16.398 -1.449 30.601 369 HB2 MET 46 HB2 MET 46 -14.114 -2.233 30.738 370 HB3 MET 46 HB3 MET 46 -14.328 -0.959 29.540 371 HG2 MET 46 HG2 MET 46 -13.238 0.661 30.977 372 HG3 MET 46 HG3 MET 46 -13.229 -0.485 32.318 373 HE1 MET 46 HE1 MET 46 -10.614 -0.413 32.870 374 HE2 MET 46 HE2 MET 46 -9.427 -0.194 31.577 375 HE3 MET 46 HE3 MET 46 -10.721 1.001 31.804 376 H LYS 47 H LYS 47 -15.849 0.385 33.499 377 HA LYS 47 HA LYS 47 -15.923 -2.018 35.210 378 HB2 LYS 47 HB2 LYS 47 -16.153 -0.403 37.079 379 HB3 LYS 47 HB3 LYS 47 -14.687 -0.253 36.150 380 HG2 LYS 47 HG2 LYS 47 -15.403 1.738 35.077 381 HG3 LYS 47 HG3 LYS 47 -17.083 1.551 35.640 382 HD2 LYS 47 HD2 LYS 47 -16.294 1.874 37.977 383 HD3 LYS 47 HD3 LYS 47 -14.638 2.092 37.384 384 HE2 LYS 47 HE2 LYS 47 -15.573 3.993 35.926 385 HE3 LYS 47 HE3 LYS 47 -17.082 3.834 36.818 386 HZ1 LYS 47 HZ1 LYS 47 -14.437 4.537 37.979 387 HZ2 LYS 47 HZ2 LYS 47 -15.713 5.542 37.805 388 HZ3 LYS 47 HZ3 LYS 47 -15.799 4.305 38.868 389 H ASP 48 H ASP 48 -18.291 0.047 33.702 390 HA ASP 48 HA ASP 48 -20.527 -0.926 35.397 391 HB2 ASP 48 HB2 ASP 48 -20.532 1.381 34.468 392 HB3 ASP 48 HB3 ASP 48 -20.497 0.720 32.834 393 H CYS 49 H CYS 49 -18.906 -1.568 32.349 394 HA CYS 49 HA CYS 49 -20.628 -3.502 31.190 395 HB2 CYS 49 HB2 CYS 49 -18.692 -2.344 30.144 396 HB3 CYS 49 HB3 CYS 49 -17.602 -3.335 31.108 397 H THR 50 H THR 50 -20.645 -5.711 31.178 398 HA THR 50 HA THR 50 -19.344 -7.208 33.429 399 HB THR 50 HB THR 50 -21.417 -8.608 33.426 400 HG1 THR 50 HG1 THR 50 -23.219 -7.754 32.332 401 HG21 THR 50 HG21 THR 50 -21.981 -5.650 33.930 402 HG22 THR 50 HG22 THR 50 -22.825 -7.042 34.639 403 HG23 THR 50 HG23 THR 50 -21.131 -6.734 35.052 404 H GLU 51 H GLU 51 -19.574 -7.075 30.000 405 HA GLU 51 HA GLU 51 -19.314 -10.020 29.717 406 HB2 GLU 51 HB2 GLU 51 -19.728 -9.683 27.349 407 HB3 GLU 51 HB3 GLU 51 -21.035 -9.104 28.375 408 HG2 GLU 51 HG2 GLU 51 -20.289 -6.767 28.044 409 HG3 GLU 51 HG3 GLU 51 -18.954 -7.335 27.028 410 H ARG 52 H ARG 52 -17.607 -11.037 28.937 411 HA ARG 52 HA ARG 52 -15.101 -9.530 28.294 412 HB2 ARG 52 HB2 ARG 52 -15.431 -11.701 30.415 413 HB3 ARG 52 HB3 ARG 52 -13.899 -10.972 29.946 414 HG2 ARG 52 HG2 ARG 52 -16.205 -9.484 31.281 415 HG3 ARG 52 HG3 ARG 52 -14.758 -10.088 32.077 416 HD2 ARG 52 HD2 ARG 52 -13.333 -8.613 30.755 417 HD3 ARG 52 HD3 ARG 52 -14.707 -8.020 29.835 418 HE ARG 52 HE ARG 52 -14.086 -7.474 32.693 419 HH11 ARG 52 HH21 ARG 52 -16.303 -6.796 30.004 420 HH12 ARG 52 HH22 ARG 52 -16.846 -5.309 30.693 421 HH21 ARG 52 HH11 ARG 52 -14.854 -5.585 33.565 422 HH22 ARG 52 HH12 ARG 52 -15.969 -4.585 32.689 423 H GLN 53 H GLN 53 -17.148 -11.856 27.207 424 HA GLN 53 HA GLN 53 -15.407 -14.022 26.507 425 HB2 GLN 53 HB2 GLN 53 -18.011 -13.194 25.141 426 HB3 GLN 53 HB3 GLN 53 -17.206 -14.755 25.052 427 HG2 GLN 53 HG2 GLN 53 -18.790 -15.276 26.596 428 HG3 GLN 53 HG3 GLN 53 -17.525 -14.760 27.699 429 HE21 GLN 53 HE22 GLN 53 -20.803 -14.199 26.645 430 HE22 GLN 53 HE21 GLN 53 -21.063 -12.749 27.603 431 H ALA 54 H ALA 54 -14.442 -14.601 24.529 432 HA ALA 54 HA ALA 54 -13.359 -12.390 22.993 433 HB1 ALA 54 HB1 ALA 54 -12.034 -14.357 23.711 434 HB2 ALA 54 HB2 ALA 54 -13.050 -15.414 22.700 435 HB3 ALA 54 HB3 ALA 54 -12.023 -14.177 21.948 436 H ASN 55 H ASN 55 -16.166 -14.305 22.550 437 HA ASN 55 HA ASN 55 -16.791 -13.163 19.951 438 HB2 ASN 55 HB2 ASN 55 -15.262 -15.230 19.531 439 HB3 ASN 55 HB3 ASN 55 -16.624 -16.191 20.097 440 HD21 ASN 55 HD22 ASN 55 -18.651 -14.398 18.749 441 HD22 ASN 55 HD21 ASN 55 -18.470 -14.791 17.033 442 H9 1HF 103 H9 1HF 58 -9.794 3.990 36.189 443 H12 1HF 103 H12 1HF 58 -8.940 6.227 31.565 444 H4 1HF 103 H4 1HF 58 -5.723 -2.647 34.046 445 H6 1HF 103 H6 1HF 58 -2.416 -4.962 32.488 446 H7 1HF 103 H7 1HF 58 -2.375 -3.521 30.429 447 H1 1HF 103 H1 1HF 58 -3.667 -1.455 29.240 448 H8 1HF 103 H8 1HF 58 -8.003 -0.385 36.077 449 H11 1HF 103 H11 1HF 58 -10.256 7.817 33.380 450 H10 1HF 103 H10 1HF 58 -10.468 6.228 35.625 451 H9 1HF 104 H9 1HF 59 -12.039 1.795 37.094 452 H12 1HF 104 H12 1HF 59 -12.682 -2.332 33.981 453 H4 1HF 104 H4 1HF 59 -13.914 6.830 31.136 454 H6 1HF 104 H6 1HF 59 -13.910 8.695 27.240 455 H7 1HF 104 H7 1HF 59 -13.813 6.453 26.155 456 H1 1HF 104 H1 1HF 59 -14.253 3.760 26.715 457 H8 1HF 104 H8 1HF 59 -13.293 5.627 34.601 458 H11 1HF 104 H11 1HF 59 -11.972 -2.953 36.572 459 H10 1HF 104 H10 1HF 59 -11.708 -0.476 37.791 Start of MODEL 3 1 H1 ILE 1 H1 ILE 1 0.479 -21.552 23.698 2 H2 ILE 1 H2 ILE 1 1.591 -20.874 24.684 3 H3 ILE 1 H3 ILE 1 1.925 -21.104 23.093 4 HA ILE 1 HA ILE 1 -0.160 -19.308 24.142 5 HB ILE 1 HB ILE 1 1.182 -17.420 23.338 6 HG12 ILE 1 HG13 ILE 1 3.412 -19.406 23.029 7 HG13 ILE 1 HG12 ILE 1 2.642 -18.559 21.655 8 HG21 ILE 1 HG21 ILE 1 1.165 -18.204 25.725 9 HG22 ILE 1 HG22 ILE 1 2.712 -19.036 25.419 10 HG23 ILE 1 HG23 ILE 1 2.587 -17.276 25.266 11 HD11 ILE 1 HD11 ILE 1 3.467 -16.393 22.591 12 HD12 ILE 1 HD12 ILE 1 4.401 -17.313 23.794 13 HD13 ILE 1 HD13 ILE 1 4.743 -17.512 22.070 14 H GLN 2 H GLN 2 -1.259 -17.992 22.575 15 HA GLN 2 HA GLN 2 -1.405 -19.213 19.842 16 HB2 GLN 2 HB2 GLN 2 -3.366 -17.449 21.379 17 HB3 GLN 2 HB3 GLN 2 -3.579 -18.003 19.715 18 HG2 GLN 2 HG2 GLN 2 -3.510 -20.377 20.506 19 HG3 GLN 2 HG3 GLN 2 -3.420 -19.800 22.174 20 HE21 GLN 2 HE22 GLN 2 -5.320 -18.378 22.937 21 HE22 GLN 2 HE21 GLN 2 -6.889 -18.736 22.234 22 H LYS 3 H LYS 3 -1.579 -17.758 18.012 23 HA LYS 3 HA LYS 3 0.489 -15.848 17.924 24 HB2 LYS 3 HB2 LYS 3 -0.458 -17.239 16.070 25 HB3 LYS 3 HB3 LYS 3 -1.883 -16.191 16.033 26 HG2 LYS 3 HG2 LYS 3 -0.473 -14.272 15.379 27 HG3 LYS 3 HG3 LYS 3 0.989 -15.267 15.543 28 HD2 LYS 3 HD2 LYS 3 0.173 -16.754 13.731 29 HD3 LYS 3 HD3 LYS 3 -1.295 -15.763 13.578 30 HE2 LYS 3 HE2 LYS 3 0.106 -13.783 13.018 31 HE3 LYS 3 HE3 LYS 3 1.566 -14.770 13.172 32 HZ1 LYS 3 HZ1 LYS 3 -0.591 -15.223 11.182 33 HZ2 LYS 3 HZ2 LYS 3 0.873 -14.574 10.860 34 HZ3 LYS 3 HZ3 LYS 3 0.760 -16.135 11.325 35 H GLY 4 H GLY 4 -2.818 -15.330 18.855 36 HA2 GLY 4 HA2 GLY 4 -2.839 -12.419 18.471 37 HA3 GLY 4 HA3 GLY 4 -4.104 -13.422 19.216 38 H ASN 5 H ASN 5 -1.254 -14.203 20.832 39 HA ASN 5 HA ASN 5 -2.049 -12.856 23.213 40 HB2 ASN 5 HB2 ASN 5 -0.264 -13.888 24.272 41 HB3 ASN 5 HB3 ASN 5 -0.676 -15.015 22.992 42 HD21 ASN 5 HD22 ASN 5 0.836 -15.185 21.139 43 HD22 ASN 5 HD21 ASN 5 2.474 -14.554 21.287 44 H PHE 6 H PHE 6 -0.877 -11.324 24.514 45 HA PHE 6 HA PHE 6 1.100 -9.560 23.199 46 HB2 PHE 6 HB2 PHE 6 -1.475 -8.573 24.509 47 HB3 PHE 6 HB3 PHE 6 -0.104 -7.551 24.140 48 HD1 PHE 6 HD1 PHE 6 0.740 -7.484 21.665 49 HD2 PHE 6 HD2 PHE 6 -3.183 -8.824 22.861 50 HE1 PHE 6 HE1 PHE 6 -0.119 -7.014 19.383 51 HE2 PHE 6 HE2 PHE 6 -4.035 -8.353 20.579 52 HZ PHE 6 HZ PHE 6 -2.508 -7.443 18.838 53 H ARG 7 H ARG 7 2.316 -8.309 24.644 54 HA ARG 7 HA ARG 7 2.810 -9.407 27.299 55 HB2 ARG 7 HB2 ARG 7 4.649 -7.739 27.343 56 HB3 ARG 7 HB3 ARG 7 4.692 -8.864 25.994 57 HG2 ARG 7 HG2 ARG 7 3.760 -7.099 24.485 58 HG3 ARG 7 HG3 ARG 7 3.777 -5.958 25.838 59 HD2 ARG 7 HD2 ARG 7 6.237 -6.234 26.024 60 HD3 ARG 7 HD3 ARG 7 6.203 -7.403 24.689 61 HE ARG 7 HE ARG 7 4.938 -5.052 23.753 62 HH11 ARG 7 HH11 ARG 7 8.246 -5.938 24.699 63 HH12 ARG 7 HH12 ARG 7 8.928 -4.728 23.651 64 HH21 ARG 7 HH21 ARG 7 5.804 -3.623 22.517 65 HH22 ARG 7 HH22 ARG 7 7.547 -3.396 22.384 66 H ASN 8 H ASN 8 0.372 -8.823 27.584 67 HA ASN 8 HA ASN 8 -0.271 -6.082 28.307 68 HB2 ASN 8 HB2 ASN 8 -1.787 -7.720 27.163 69 HB3 ASN 8 HB3 ASN 8 -1.843 -8.675 28.644 70 HD21 ASN 8 HD22 ASN 8 -3.572 -8.186 30.027 71 HD22 ASN 8 HD21 ASN 8 -4.442 -6.666 29.982 72 H GLN 9 H GLN 9 0.993 -8.740 30.099 73 HA GLN 9 HA GLN 9 0.872 -7.189 32.638 74 HB2 GLN 9 HB2 GLN 9 0.033 -10.115 32.346 75 HB3 GLN 9 HB3 GLN 9 0.385 -9.323 33.884 76 HG2 GLN 9 HG2 GLN 9 -1.465 -7.712 33.489 77 HG3 GLN 9 HG3 GLN 9 -1.880 -8.554 31.992 78 HE21 GLN 9 HE22 GLN 9 -3.650 -8.200 34.312 79 HE22 GLN 9 HE21 GLN 9 -4.005 -9.836 34.872 80 H ARG 10 H ARG 10 2.244 -9.988 30.840 81 HA ARG 10 HA ARG 10 4.554 -10.312 32.511 82 HB2 ARG 10 HB2 ARG 10 3.632 -12.060 31.067 83 HB3 ARG 10 HB3 ARG 10 4.016 -11.120 29.621 84 HG2 ARG 10 HG2 ARG 10 6.397 -11.303 30.050 85 HG3 ARG 10 HG3 ARG 10 6.120 -12.078 31.620 86 HD2 ARG 10 HD2 ARG 10 5.281 -13.234 28.925 87 HD3 ARG 10 HD3 ARG 10 6.788 -13.636 29.763 88 HE ARG 10 HE ARG 10 4.768 -14.108 31.628 89 HH11 ARG 10 HH21 ARG 10 5.644 -15.467 28.481 90 HH12 ARG 10 HH22 ARG 10 4.949 -17.016 28.855 91 HH21 ARG 10 HH11 ARG 10 3.879 -16.123 32.041 92 HH22 ARG 10 HH12 ARG 10 3.967 -17.379 30.845 93 H LYS 11 H LYS 11 6.215 -9.020 32.700 94 HA LYS 11 HA LYS 11 7.909 -7.560 32.430 95 HB2 LYS 11 HB2 LYS 11 7.591 -8.230 29.475 96 HB3 LYS 11 HB3 LYS 11 8.933 -7.331 30.141 97 HG2 LYS 11 HG2 LYS 11 8.215 -10.203 30.864 98 HG3 LYS 11 HG3 LYS 11 9.473 -9.706 29.744 99 HD2 LYS 11 HD2 LYS 11 9.434 -9.181 32.749 100 HD3 LYS 11 HD3 LYS 11 10.404 -10.377 31.891 101 HE2 LYS 11 HE2 LYS 11 11.544 -8.547 30.625 102 HE3 LYS 11 HE3 LYS 11 10.618 -7.351 31.542 103 HZ1 LYS 11 HZ1 LYS 11 12.525 -9.296 32.720 104 HZ2 LYS 11 HZ2 LYS 11 12.807 -7.703 32.510 105 HZ3 LYS 11 HZ3 LYS 11 11.668 -8.193 33.572 106 H THR 12 H THR 12 4.996 -6.643 30.823 107 HA THR 12 HA THR 12 5.282 -3.879 31.587 108 HB THR 12 HB THR 12 6.686 -3.870 29.549 109 HG1 THR 12 HG1 THR 12 5.827 -2.007 28.885 110 HG21 THR 12 HG21 THR 12 5.429 -5.581 28.213 111 HG22 THR 12 HG22 THR 12 4.107 -4.409 28.013 112 HG23 THR 12 HG23 THR 12 5.712 -4.061 27.344 113 H VAL 13 H VAL 13 3.392 -2.788 30.022 114 HA VAL 13 HA VAL 13 0.889 -4.339 30.348 115 HB VAL 13 HB VAL 13 1.299 -3.274 32.538 116 HG11 VAL 13 HG11 VAL 13 2.548 -1.244 31.822 117 HG12 VAL 13 HG12 VAL 13 1.048 -0.580 31.141 118 HG13 VAL 13 HG13 VAL 13 1.182 -0.869 32.881 119 HG21 VAL 13 HG21 VAL 13 -0.895 -2.263 32.822 120 HG22 VAL 13 HG22 VAL 13 -1.058 -2.052 31.063 121 HG23 VAL 13 HG23 VAL 13 -0.984 -3.683 31.771 122 H LYS 14 H LYS 14 -0.728 -3.736 28.929 123 HA LYS 14 HA LYS 14 0.095 -1.767 26.835 124 HB2 LYS 14 HB2 LYS 14 0.271 -4.240 26.339 125 HB3 LYS 14 HB3 LYS 14 -1.477 -4.346 26.522 126 HG2 LYS 14 HG2 LYS 14 -1.783 -2.777 24.625 127 HG3 LYS 14 HG3 LYS 14 -0.020 -2.644 24.466 128 HD2 LYS 14 HD2 LYS 14 0.105 -5.119 24.048 129 HD3 LYS 14 HD3 LYS 14 -1.652 -5.208 24.211 130 HE2 LYS 14 HE2 LYS 14 -1.364 -5.188 21.903 131 HE3 LYS 14 HE3 LYS 14 -1.781 -3.515 22.279 132 HZ1 LYS 14 HZ1 LYS 14 0.661 -3.024 22.202 133 HZ2 LYS 14 HZ2 LYS 14 0.949 -4.559 21.735 134 HZ3 LYS 14 HZ3 LYS 14 0.075 -3.562 20.778 135 H CYS 15 H CYS 15 -1.175 -0.047 26.529 136 HA CYS 15 HA CYS 15 -3.553 0.465 27.949 137 HB2 CYS 15 HB2 CYS 15 -2.128 2.167 27.102 138 HB3 CYS 15 HB3 CYS 15 -2.417 1.674 25.431 139 H PHE 16 H PHE 16 -5.701 0.302 27.563 140 HA PHE 16 HA PHE 16 -6.644 -1.412 25.368 141 HB2 PHE 16 HB2 PHE 16 -8.161 0.102 27.518 142 HB3 PHE 16 HB3 PHE 16 -8.823 -1.124 26.449 143 HD1 PHE 16 HD2 PHE 16 -6.089 -2.961 26.960 144 HD2 PHE 16 HD1 PHE 16 -9.172 -1.117 29.332 145 HE1 PHE 16 HE2 PHE 16 -5.797 -4.690 28.711 146 HE2 PHE 16 HE1 PHE 16 -8.934 -2.895 31.046 147 HZ PHE 16 HZ PHE 16 -7.227 -4.686 30.736 148 H ASN 17 H ASN 17 -6.427 2.080 25.949 149 HA ASN 17 HA ASN 17 -8.611 2.694 24.084 150 HB2 ASN 17 HB2 ASN 17 -8.258 4.029 26.137 151 HB3 ASN 17 HB3 ASN 17 -6.685 4.546 25.535 152 HD21 ASN 17 HD21 ASN 17 -7.596 6.787 25.755 153 HD22 ASN 17 HD22 ASN 17 -8.543 7.398 24.412 154 H CYS 18 H CYS 18 -5.033 3.301 24.115 155 HA CYS 18 HA CYS 18 -5.203 3.884 21.174 156 HB2 CYS 18 HB2 CYS 18 -3.262 5.096 21.292 157 HB3 CYS 18 HB3 CYS 18 -4.207 5.612 22.678 158 H GLY 19 H GLY 19 -4.184 1.376 23.269 159 HA2 GLY 19 HA2 GLY 19 -3.657 -0.792 22.562 160 HA3 GLY 19 HA3 GLY 19 -3.245 -0.180 20.950 161 H LYS 20 H LYS 20 -1.519 1.777 23.027 162 HA LYS 20 HA LYS 20 0.930 0.266 22.370 163 HB2 LYS 20 HB2 LYS 20 0.418 3.089 23.342 164 HB3 LYS 20 HB3 LYS 20 2.033 2.430 23.053 165 HG2 LYS 20 HG2 LYS 20 1.434 1.967 20.708 166 HG3 LYS 20 HG3 LYS 20 -0.172 2.661 20.949 167 HD2 LYS 20 HD2 LYS 20 2.459 4.172 21.276 168 HD3 LYS 20 HD3 LYS 20 1.431 4.204 19.835 169 HE2 LYS 20 HE2 LYS 20 -0.455 5.099 21.206 170 HE3 LYS 20 HE3 LYS 20 0.591 5.124 22.623 171 HZ1 LYS 20 HZ1 LYS 20 0.503 7.290 21.557 172 HZ2 LYS 20 HZ2 LYS 20 2.027 6.709 21.456 173 HZ3 LYS 20 HZ3 LYS 20 1.051 6.686 20.142 174 H GLU 21 H GLU 21 2.391 -0.593 23.702 175 HA GLU 21 HA GLU 21 2.072 -1.185 26.375 176 HB2 GLU 21 HB2 GLU 21 4.505 -1.085 24.615 177 HB3 GLU 21 HB3 GLU 21 4.466 -1.749 26.260 178 HG2 GLU 21 HG2 GLU 21 3.825 -3.608 25.305 179 HG3 GLU 21 HG3 GLU 21 2.238 -2.969 25.329 180 H GLY 22 H GLY 22 3.428 -0.742 28.147 181 HA2 GLY 22 HA2 GLY 22 4.864 0.459 29.536 182 HA3 GLY 22 HA3 GLY 22 4.909 1.798 28.362 183 H HIS 23 H HIS 23 1.670 1.087 28.878 184 HA HIS 23 HA HIS 23 1.252 2.518 31.352 185 HB2 HIS 23 HB2 HIS 23 0.404 4.593 30.465 186 HB3 HIS 23 HB3 HIS 23 1.980 4.356 29.763 187 HD1 HIS 23 HD1 HIS 23 1.971 3.657 27.088 188 HD2 HIS 23 HD2 HIS 23 -1.729 4.604 28.844 189 HE1 HIS 23 HE1 HIS 23 0.336 4.090 25.172 190 H ILE 24 H ILE 24 -1.100 3.257 31.502 191 HA ILE 24 HA ILE 24 -3.023 1.298 30.335 192 HB ILE 24 HB ILE 24 -4.240 1.388 32.501 193 HG12 ILE 24 HG12 ILE 24 -1.777 2.811 33.644 194 HG13 ILE 24 HG13 ILE 24 -3.349 3.552 33.349 195 HG21 ILE 24 HG21 ILE 24 -2.623 -0.435 31.898 196 HG22 ILE 24 HG22 ILE 24 -1.394 0.381 32.883 197 HG23 ILE 24 HG23 ILE 24 -2.880 -0.245 33.633 198 HD11 ILE 24 HD11 ILE 24 -2.793 1.323 35.335 199 HD12 ILE 24 HD12 ILE 24 -3.186 3.013 35.683 200 HD13 ILE 24 HD13 ILE 24 -4.412 1.963 34.945 201 H ALA 25 H ALA 25 -5.241 2.157 30.151 202 HA ALA 25 HA ALA 25 -5.320 4.659 28.997 203 HB1 ALA 25 HB1 ALA 25 -6.965 2.832 28.657 204 HB2 ALA 25 HB2 ALA 25 -7.630 3.117 30.284 205 HB3 ALA 25 HB3 ALA 25 -7.781 4.360 29.027 206 H LYS 26 H LYS 26 -5.723 4.038 32.447 207 HA LYS 26 HA LYS 26 -6.793 6.591 33.243 208 HB2 LYS 26 HB2 LYS 26 -6.581 4.359 34.535 209 HB3 LYS 26 HB3 LYS 26 -4.906 4.808 34.840 210 HG2 LYS 26 HG2 LYS 26 -5.678 6.873 35.996 211 HG3 LYS 26 HG3 LYS 26 -7.359 6.449 35.623 212 HD2 LYS 26 HD2 LYS 26 -7.048 4.304 36.920 213 HD3 LYS 26 HD3 LYS 26 -5.423 4.862 37.366 214 HE2 LYS 26 HE2 LYS 26 -6.447 6.902 38.405 215 HE3 LYS 26 HE3 LYS 26 -8.055 6.288 37.990 216 HZ1 LYS 26 HZ1 LYS 26 -7.615 4.368 39.424 217 HZ2 LYS 26 HZ2 LYS 26 -6.131 4.941 39.807 218 HZ3 LYS 26 HZ3 LYS 26 -7.467 5.753 40.277 219 H ASN 27 H ASN 27 -3.577 5.524 32.450 220 HA ASN 27 HA ASN 27 -2.227 8.001 33.365 221 HB2 ASN 27 HB2 ASN 27 -1.494 5.621 33.904 222 HB3 ASN 27 HB3 ASN 27 -1.147 5.414 32.193 223 HD21 ASN 27 HD22 ASN 27 0.937 4.807 33.446 224 HD22 ASN 27 HD21 ASN 27 2.092 6.101 33.633 225 H CYS 28 H CYS 28 -3.374 6.398 30.470 226 HA CYS 28 HA CYS 28 -1.834 7.476 28.428 227 HB2 CYS 28 HB2 CYS 28 -3.573 5.713 28.254 228 HB3 CYS 28 HB3 CYS 28 -4.823 6.957 28.359 229 H ARG 29 H ARG 29 -1.969 9.139 27.018 230 HA ARG 29 HA ARG 29 -3.294 11.648 27.894 231 HB2 ARG 29 HB2 ARG 29 -0.868 11.660 27.748 232 HB3 ARG 29 HB3 ARG 29 -0.947 11.106 26.083 233 HG2 ARG 29 HG2 ARG 29 -0.385 13.500 26.281 234 HG3 ARG 29 HG3 ARG 29 -1.835 13.224 25.332 235 HD2 ARG 29 HD2 ARG 29 -3.204 13.791 27.422 236 HD3 ARG 29 HD3 ARG 29 -1.686 14.181 28.226 237 HE ARG 29 HE ARG 29 -1.573 16.168 27.054 238 HH11 ARG 29 HH21 ARG 29 -4.028 14.172 25.433 239 HH12 ARG 29 HH22 ARG 29 -4.614 15.520 24.498 240 HH21 ARG 29 HH11 ARG 29 -2.364 17.832 25.786 241 HH22 ARG 29 HH12 ARG 29 -3.672 17.548 24.677 242 H ALA 30 H ALA 30 -3.782 9.156 25.553 243 HA ALA 30 HA ALA 30 -4.453 10.749 23.273 244 HB1 ALA 30 HB1 ALA 30 -5.340 8.648 22.376 245 HB2 ALA 30 HB2 ALA 30 -3.783 8.364 23.177 246 HB3 ALA 30 HB3 ALA 30 -5.302 7.914 23.987 247 HA PRO 31 HA PRO 31 -8.693 12.092 23.988 248 HB2 PRO 31 HB2 PRO 31 -9.165 10.988 21.229 249 HB3 PRO 31 HB3 PRO 31 -9.645 12.573 21.901 250 HG2 PRO 31 HG2 PRO 31 -7.489 12.345 20.242 251 HG3 PRO 31 HG3 PRO 31 -7.461 13.445 21.656 252 HD2 PRO 31 HD2 PRO 31 -6.163 10.729 21.381 253 HD3 PRO 31 HD3 PRO 31 -5.604 12.205 22.214 254 H ARG 32 H ARG 32 -10.735 11.225 24.405 255 HA ARG 32 HA ARG 32 -10.806 8.246 24.701 256 HB2 ARG 32 HB2 ARG 32 -12.213 10.331 26.389 257 HB3 ARG 32 HB3 ARG 32 -12.184 8.588 26.623 258 HG2 ARG 32 HG2 ARG 32 -9.674 8.700 26.846 259 HG3 ARG 32 HG3 ARG 32 -9.782 10.464 26.779 260 HD2 ARG 32 HD2 ARG 32 -11.227 10.457 28.791 261 HD3 ARG 32 HD3 ARG 32 -11.065 8.710 28.917 262 HE ARG 32 HE ARG 32 -9.173 10.727 29.739 263 HH11 ARG 32 HH21 ARG 32 -9.161 7.369 28.542 264 HH12 ARG 32 HH22 ARG 32 -7.623 7.062 29.320 265 HH21 ARG 32 HH11 ARG 32 -7.168 10.175 30.628 266 HH22 ARG 32 HH12 ARG 32 -6.559 8.554 30.410 267 H LYS 33 H LYS 33 -12.261 7.113 23.838 268 HA LYS 33 HA LYS 33 -13.761 8.052 21.624 269 HB2 LYS 33 HB2 LYS 33 -13.669 5.369 23.079 270 HB3 LYS 33 HB3 LYS 33 -14.463 5.607 21.519 271 HG2 LYS 33 HG2 LYS 33 -12.374 6.279 20.466 272 HG3 LYS 33 HG3 LYS 33 -11.510 6.178 22.008 273 HD2 LYS 33 HD2 LYS 33 -11.874 3.775 22.127 274 HD3 LYS 33 HD3 LYS 33 -12.924 3.815 20.710 275 HE2 LYS 33 HE2 LYS 33 -10.685 2.952 20.167 276 HE3 LYS 33 HE3 LYS 33 -11.082 4.406 19.248 277 HZ1 LYS 33 HZ1 LYS 33 -9.409 4.448 21.706 278 HZ2 LYS 33 HZ2 LYS 33 -8.794 4.372 20.196 279 HZ3 LYS 33 HZ3 LYS 33 -9.651 5.684 20.668 280 H LYS 34 H LYS 34 -16.049 7.165 21.163 281 HA LYS 34 HA LYS 34 -17.957 8.139 23.216 282 HB2 LYS 34 HB2 LYS 34 -18.341 7.289 20.308 283 HB3 LYS 34 HB3 LYS 34 -19.616 7.916 21.362 284 HG2 LYS 34 HG2 LYS 34 -18.357 10.045 21.634 285 HG3 LYS 34 HG3 LYS 34 -17.125 9.451 20.503 286 HD2 LYS 34 HD2 LYS 34 -18.848 9.238 18.731 287 HD3 LYS 34 HD3 LYS 34 -20.082 9.839 19.860 288 HE2 LYS 34 HE2 LYS 34 -18.805 11.962 20.117 289 HE3 LYS 34 HE3 LYS 34 -17.582 11.365 18.988 290 HZ1 LYS 34 HZ1 LYS 34 -19.188 12.797 17.877 291 HZ2 LYS 34 HZ2 LYS 34 -19.303 11.287 17.269 292 HZ3 LYS 34 HZ3 LYS 34 -20.435 11.839 18.314 293 H GLY 35 H GLY 35 -16.447 5.565 23.456 294 HA2 GLY 35 HA2 GLY 35 -18.535 3.873 24.519 295 HA3 GLY 35 HA3 GLY 35 -17.922 3.239 23.002 296 H CYS 36 H CYS 36 -17.647 1.573 24.813 297 HA CYS 36 HA CYS 36 -15.661 1.649 26.799 298 HB2 CYS 36 HB2 CYS 36 -17.535 0.153 26.667 299 HB3 CYS 36 HB3 CYS 36 -16.889 -0.610 25.216 300 H TRP 37 H TRP 37 -13.521 1.084 26.923 301 HA TRP 37 HA TRP 37 -11.995 0.581 24.434 302 HB2 TRP 37 HB2 TRP 37 -11.010 0.696 27.296 303 HB3 TRP 37 HB3 TRP 37 -10.051 0.796 25.827 304 HD1 TRP 37 HD1 TRP 37 -11.443 3.080 24.251 305 HE1 TRP 37 HE1 TRP 37 -11.418 5.499 25.105 306 HE3 TRP 37 HE3 TRP 37 -10.547 2.194 29.209 307 HZ2 TRP 37 HZ2 TRP 37 -11.237 6.847 27.622 308 HZ3 TRP 37 HZ3 TRP 37 -10.538 4.057 30.832 309 HH2 TRP 37 HH2 TRP 37 -10.915 6.403 30.055 310 H LYS 38 H LYS 38 -13.435 -1.313 26.999 311 HA LYS 38 HA LYS 38 -11.515 -3.539 26.720 312 HB2 LYS 38 HB2 LYS 38 -12.239 -2.732 28.913 313 HB3 LYS 38 HB3 LYS 38 -13.908 -3.173 28.583 314 HG2 LYS 38 HG2 LYS 38 -13.220 -5.568 28.377 315 HG3 LYS 38 HG3 LYS 38 -11.536 -5.097 28.623 316 HD2 LYS 38 HD2 LYS 38 -12.402 -5.977 30.699 317 HD3 LYS 38 HD3 LYS 38 -12.075 -4.260 30.882 318 HE2 LYS 38 HE2 LYS 38 -14.143 -4.792 32.006 319 HE3 LYS 38 HE3 LYS 38 -14.498 -3.755 30.630 320 HZ1 LYS 38 HZ1 LYS 38 -14.813 -6.710 30.609 321 HZ2 LYS 38 HZ2 LYS 38 -16.040 -5.655 30.840 322 HZ3 LYS 38 HZ3 LYS 38 -15.274 -5.678 29.411 323 H CYS 39 H CYS 39 -14.962 -2.956 25.934 324 HA CYS 39 HA CYS 39 -14.849 -5.462 24.248 325 HB2 CYS 39 HB2 CYS 39 -17.067 -5.876 24.494 326 HB3 CYS 39 HB3 CYS 39 -16.530 -5.497 26.119 327 H GLY 40 H GLY 40 -15.310 -2.023 24.057 328 HA2 GLY 40 HA2 GLY 40 -15.045 -0.812 22.040 329 HA3 GLY 40 HA3 GLY 40 -15.512 -2.238 21.104 330 H LYS 41 H LYS 41 -17.944 -2.284 23.246 331 HA LYS 41 HA LYS 41 -19.735 -0.946 21.364 332 HB2 LYS 41 HB2 LYS 41 -20.343 -2.443 23.939 333 HB3 LYS 41 HB3 LYS 41 -21.530 -1.874 22.764 334 HG2 LYS 41 HG2 LYS 41 -20.420 -3.326 21.020 335 HG3 LYS 41 HG3 LYS 41 -19.323 -3.927 22.268 336 HD2 LYS 41 HD2 LYS 41 -21.017 -5.560 22.015 337 HD3 LYS 41 HD3 LYS 41 -21.323 -4.758 23.564 338 HE2 LYS 41 HE2 LYS 41 -23.099 -3.381 22.517 339 HE3 LYS 41 HE3 LYS 41 -22.713 -4.063 20.932 340 HZ1 LYS 41 HZ1 LYS 41 -24.603 -5.189 21.836 341 HZ2 LYS 41 HZ2 LYS 41 -23.370 -6.258 21.835 342 HZ3 LYS 41 HZ3 LYS 41 -23.854 -5.554 23.238 343 H GLU 42 H GLU 42 -21.408 0.568 21.950 344 HA GLU 42 HA GLU 42 -20.230 2.841 23.354 345 HB2 GLU 42 HB2 GLU 42 -21.948 4.148 22.302 346 HB3 GLU 42 HB3 GLU 42 -21.206 3.071 21.127 347 HG2 GLU 42 HG2 GLU 42 -23.162 1.521 21.328 348 HG3 GLU 42 HG3 GLU 42 -23.904 2.626 22.487 349 H GLY 43 H GLY 43 -21.770 4.359 24.544 350 HA2 GLY 43 HA2 GLY 43 -23.409 4.896 26.047 351 HA3 GLY 43 HA3 GLY 43 -24.068 3.258 25.884 352 H HIS 44 H HIS 44 -20.823 3.080 26.957 353 HA HIS 44 HA HIS 44 -21.428 3.392 29.804 354 HB2 HIS 44 HB2 HIS 44 -21.186 1.047 30.382 355 HB3 HIS 44 HB3 HIS 44 -22.485 1.206 29.223 356 HD1 HIS 44 HD1 HIS 44 -21.735 0.446 26.588 357 HD2 HIS 44 HD2 HIS 44 -19.218 -0.575 29.795 358 HE1 HIS 44 HE1 HIS 44 -20.164 -1.369 25.737 359 H GLN 45 H GLN 45 -19.639 2.907 31.222 360 HA GLN 45 HA GLN 45 -16.926 3.228 30.008 361 HB2 GLN 45 HB2 GLN 45 -17.999 3.653 32.838 362 HB3 GLN 45 HB3 GLN 45 -16.285 3.622 32.437 363 HG2 GLN 45 HG2 GLN 45 -16.634 5.542 30.859 364 HG3 GLN 45 HG3 GLN 45 -18.317 5.624 31.369 365 HE21 GLN 45 HE22 GLN 45 -16.690 7.959 31.729 366 HE22 GLN 45 HE21 GLN 45 -16.417 8.103 33.450 367 H MET 46 H MET 46 -15.297 1.683 30.551 368 HA MET 46 HA MET 46 -16.299 -0.929 30.517 369 HB2 MET 46 HB2 MET 46 -13.989 -1.623 30.417 370 HB3 MET 46 HB3 MET 46 -14.305 -0.263 29.347 371 HG2 MET 46 HG2 MET 46 -13.219 1.274 30.874 372 HG3 MET 46 HG3 MET 46 -13.072 0.003 32.096 373 HE1 MET 46 HE1 MET 46 -10.657 1.655 31.557 374 HE2 MET 46 HE2 MET 46 -10.532 0.173 32.526 375 HE3 MET 46 HE3 MET 46 -9.364 0.482 31.228 376 H LYS 47 H LYS 47 -15.840 0.831 33.405 377 HA LYS 47 HA LYS 47 -15.479 -1.554 35.091 378 HB2 LYS 47 HB2 LYS 47 -16.072 0.034 36.959 379 HB3 LYS 47 HB3 LYS 47 -14.593 0.332 36.094 380 HG2 LYS 47 HG2 LYS 47 -15.509 2.176 34.886 381 HG3 LYS 47 HG3 LYS 47 -17.157 1.848 35.487 382 HD2 LYS 47 HD2 LYS 47 -16.377 2.362 37.789 383 HD3 LYS 47 HD3 LYS 47 -14.744 2.665 37.173 384 HE2 LYS 47 HE2 LYS 47 -15.823 4.417 35.627 385 HE3 LYS 47 HE3 LYS 47 -17.301 4.217 36.566 386 HZ1 LYS 47 HZ1 LYS 47 -15.994 4.878 38.552 387 HZ2 LYS 47 HZ2 LYS 47 -14.673 5.141 37.608 388 HZ3 LYS 47 HZ3 LYS 47 -16.014 6.055 37.417 389 H ASP 48 H ASP 48 -18.194 -0.015 33.551 390 HA ASP 48 HA ASP 48 -20.201 -1.418 35.222 391 HB2 ASP 48 HB2 ASP 48 -20.590 0.844 34.196 392 HB3 ASP 48 HB3 ASP 48 -20.497 0.097 32.601 393 H CYS 49 H CYS 49 -18.160 -2.074 32.572 394 HA CYS 49 HA CYS 49 -19.737 -4.041 31.159 395 HB2 CYS 49 HB2 CYS 49 -18.034 -2.439 30.247 396 HB3 CYS 49 HB3 CYS 49 -16.775 -3.422 30.978 397 H THR 50 H THR 50 -19.717 -4.771 33.793 398 HA THR 50 HA THR 50 -18.048 -7.208 34.108 399 HB THR 50 HB THR 50 -20.350 -6.159 35.810 400 HG1 THR 50 HG1 THR 50 -18.657 -5.356 37.090 401 HG21 THR 50 HG21 THR 50 -18.162 -8.222 36.380 402 HG22 THR 50 HG22 THR 50 -19.308 -7.580 37.579 403 HG23 THR 50 HG23 THR 50 -19.904 -8.552 36.230 404 H GLU 51 H GLU 51 -21.379 -6.289 33.410 405 HA GLU 51 HA GLU 51 -22.156 -9.054 32.658 406 HB2 GLU 51 HB2 GLU 51 -24.417 -8.147 32.481 407 HB3 GLU 51 HB3 GLU 51 -23.714 -7.827 34.063 408 HG2 GLU 51 HG2 GLU 51 -23.249 -5.479 33.405 409 HG3 GLU 51 HG3 GLU 51 -23.881 -5.797 31.787 410 H ARG 52 H ARG 52 -23.569 -9.107 30.594 411 HA ARG 52 HA ARG 52 -22.364 -7.481 28.383 412 HB2 ARG 52 HB2 ARG 52 -23.785 -10.154 28.107 413 HB3 ARG 52 HB3 ARG 52 -22.975 -9.232 26.847 414 HG2 ARG 52 HG2 ARG 52 -21.747 -10.820 29.109 415 HG3 ARG 52 HG3 ARG 52 -21.549 -11.038 27.376 416 HD2 ARG 52 HD2 ARG 52 -20.354 -8.877 29.134 417 HD3 ARG 52 HD3 ARG 52 -19.512 -10.160 28.291 418 HE ARG 52 HE ARG 52 -20.212 -9.068 26.136 419 HH11 ARG 52 HH21 ARG 52 -20.072 -6.990 29.015 420 HH12 ARG 52 HH22 ARG 52 -19.184 -5.754 28.182 421 HH21 ARG 52 HH11 ARG 52 -19.428 -7.272 25.045 422 HH22 ARG 52 HH12 ARG 52 -19.070 -5.800 25.901 423 H GLN 53 H GLN 53 -23.772 -6.571 26.853 424 HA GLN 53 HA GLN 53 -26.701 -6.651 27.365 425 HB2 GLN 53 HB2 GLN 53 -25.032 -4.100 27.175 426 HB3 GLN 53 HB3 GLN 53 -26.798 -4.175 27.102 427 HG2 GLN 53 HG2 GLN 53 -26.821 -5.202 29.393 428 HG3 GLN 53 HG3 GLN 53 -25.073 -4.972 29.487 429 HE21 GLN 53 HE22 GLN 53 -26.376 -3.845 31.499 430 HE22 GLN 53 HE21 GLN 53 -26.511 -2.094 31.270 431 H ALA 54 H ALA 54 -27.967 -6.210 25.570 432 HA ALA 54 HA ALA 54 -26.974 -5.464 22.974 433 HB1 ALA 54 HB1 ALA 54 -27.668 -8.404 23.464 434 HB2 ALA 54 HB2 ALA 54 -27.338 -7.671 21.881 435 HB3 ALA 54 HB3 ALA 54 -26.049 -7.781 23.088 436 H ASN 55 H ASN 55 -28.709 -5.763 21.300 437 HA ASN 55 HA ASN 55 -31.489 -6.041 22.164 438 HB2 ASN 55 HB2 ASN 55 -30.974 -3.753 22.932 439 HB3 ASN 55 HB3 ASN 55 -30.403 -3.327 21.324 440 HD21 ASN 55 HD22 ASN 55 -32.111 -3.739 19.543 441 HD22 ASN 55 HD21 ASN 55 -33.738 -3.147 19.934 442 H9 1HF 103 H9 1HF 58 -9.825 4.225 35.998 443 H12 1HF 103 H12 1HF 58 -8.874 6.324 31.332 444 H4 1HF 103 H4 1HF 58 -6.149 -2.754 33.905 445 H6 1HF 103 H6 1HF 58 -3.184 -5.434 32.233 446 H7 1HF 103 H7 1HF 58 -2.961 -3.945 30.238 447 H1 1HF 103 H1 1HF 58 -3.986 -1.708 29.107 448 H8 1HF 103 H8 1HF 58 -8.058 -0.165 36.034 449 H11 1HF 103 H11 1HF 58 -10.178 7.991 33.082 450 H10 1HF 103 H10 1HF 58 -10.469 6.459 35.364 451 H9 1HF 104 H9 1HF 59 -12.132 2.478 36.870 452 H12 1HF 104 H12 1HF 59 -12.525 -1.728 33.828 453 H4 1HF 104 H4 1HF 59 -14.431 7.181 30.705 454 H6 1HF 104 H6 1HF 59 -14.840 8.872 26.746 455 H7 1HF 104 H7 1HF 59 -14.421 6.625 25.740 456 H1 1HF 104 H1 1HF 59 -14.310 3.959 26.396 457 H8 1HF 104 H8 1HF 59 -13.567 6.174 34.248 458 H11 1HF 104 H11 1HF 59 -11.826 -2.273 36.440 459 H10 1HF 104 H10 1HF 59 -11.686 0.235 37.615 Start of MODEL 4 1 H1 ILE 1 H1 ILE 1 -13.916 -12.343 15.130 2 H2 ILE 1 H2 ILE 1 -15.247 -12.480 16.070 3 H3 ILE 1 H3 ILE 1 -14.862 -13.687 15.029 4 HA ILE 1 HA ILE 1 -14.346 -14.278 17.306 5 HB ILE 1 HB ILE 1 -12.015 -14.954 17.075 6 HG12 ILE 1 HG13 ILE 1 -11.998 -13.465 14.470 7 HG13 ILE 1 HG12 ILE 1 -11.097 -12.905 15.909 8 HG21 ILE 1 HG21 ILE 1 -12.350 -16.487 15.266 9 HG22 ILE 1 HG22 ILE 1 -13.918 -16.207 16.017 10 HG23 ILE 1 HG23 ILE 1 -13.518 -15.426 14.465 11 HD11 ILE 1 HD11 ILE 1 -10.523 -15.423 14.311 12 HD12 ILE 1 HD12 ILE 1 -9.541 -13.956 14.432 13 HD13 ILE 1 HD13 ILE 1 -9.751 -14.994 15.858 14 H GLN 2 H GLN 2 -12.932 -13.972 19.196 15 HA GLN 2 HA GLN 2 -12.719 -11.154 19.953 16 HB2 GLN 2 HB2 GLN 2 -11.949 -13.740 21.372 17 HB3 GLN 2 HB3 GLN 2 -11.747 -12.128 22.065 18 HG2 GLN 2 HG2 GLN 2 -14.182 -11.713 21.880 19 HG3 GLN 2 HG3 GLN 2 -14.416 -13.331 21.216 20 HE21 GLN 2 HE22 GLN 2 -14.566 -15.095 22.705 21 HE22 GLN 2 HE21 GLN 2 -14.349 -14.871 24.434 22 H LYS 3 H LYS 3 -10.819 -10.068 20.618 23 HA LYS 3 HA LYS 3 -8.671 -10.284 18.754 24 HB2 LYS 3 HB2 LYS 3 -9.608 -8.222 19.855 25 HB3 LYS 3 HB3 LYS 3 -8.813 -8.704 21.361 26 HG2 LYS 3 HG2 LYS 3 -6.604 -8.527 20.265 27 HG3 LYS 3 HG3 LYS 3 -7.390 -8.172 18.713 28 HD2 LYS 3 HD2 LYS 3 -8.356 -6.088 19.707 29 HD3 LYS 3 HD3 LYS 3 -7.582 -6.481 21.245 30 HE2 LYS 3 HE2 LYS 3 -6.215 -4.841 20.174 31 HE3 LYS 3 HE3 LYS 3 -5.340 -6.373 20.127 32 HZ1 LYS 3 HZ1 LYS 3 -6.883 -5.213 17.863 33 HZ2 LYS 3 HZ2 LYS 3 -5.256 -5.201 17.996 34 HZ3 LYS 3 HZ3 LYS 3 -6.043 -6.617 17.802 35 H GLY 4 H GLY 4 -9.029 -11.685 21.925 36 HA2 GLY 4 HA2 GLY 4 -7.774 -13.451 22.844 37 HA3 GLY 4 HA3 GLY 4 -6.457 -13.145 21.696 38 H ASN 5 H ASN 5 -5.845 -13.713 24.226 39 HA ASN 5 HA ASN 5 -5.449 -11.310 25.857 40 HB2 ASN 5 HB2 ASN 5 -6.056 -13.518 26.825 41 HB3 ASN 5 HB3 ASN 5 -4.535 -14.190 26.232 42 HD21 ASN 5 HD22 ASN 5 -3.072 -14.387 27.917 43 HD22 ASN 5 HD21 ASN 5 -2.873 -13.193 29.187 44 H PHE 6 H PHE 6 -3.402 -10.535 26.574 45 HA PHE 6 HA PHE 6 -0.991 -11.214 24.942 46 HB2 PHE 6 HB2 PHE 6 -1.856 -8.413 25.780 47 HB3 PHE 6 HB3 PHE 6 -0.403 -8.830 24.893 48 HD1 PHE 6 HD1 PHE 6 -0.551 -9.699 22.535 49 HD2 PHE 6 HD2 PHE 6 -3.991 -8.183 24.650 50 HE1 PHE 6 HE1 PHE 6 -1.758 -9.429 20.384 51 HE2 PHE 6 HE2 PHE 6 -5.199 -7.923 22.498 52 HZ PHE 6 HZ PHE 6 -4.082 -8.547 20.359 53 H ARG 7 H ARG 7 1.011 -10.164 26.067 54 HA ARG 7 HA ARG 7 1.184 -11.239 28.743 55 HB2 ARG 7 HB2 ARG 7 3.524 -10.698 28.637 56 HB3 ARG 7 HB3 ARG 7 3.007 -11.481 27.152 57 HG2 ARG 7 HG2 ARG 7 3.021 -9.370 25.936 58 HG3 ARG 7 HG3 ARG 7 3.334 -8.450 27.413 59 HD2 ARG 7 HD2 ARG 7 5.222 -10.542 26.252 60 HD3 ARG 7 HD3 ARG 7 5.348 -8.807 25.962 61 HE ARG 7 HE ARG 7 5.707 -8.439 28.360 62 HH11 ARG 7 HH11 ARG 7 6.432 -11.729 27.252 63 HH12 ARG 7 HH12 ARG 7 7.438 -12.037 28.635 64 HH21 ARG 7 HH21 ARG 7 6.869 -8.920 30.091 65 HH22 ARG 7 HH22 ARG 7 7.683 -10.455 30.252 66 H ASN 8 H ASN 8 -0.464 -8.646 28.246 67 HA ASN 8 HA ASN 8 0.834 -6.463 29.487 68 HB2 ASN 8 HB2 ASN 8 -1.325 -5.358 29.260 69 HB3 ASN 8 HB3 ASN 8 -0.936 -6.275 27.814 70 HD21 ASN 8 HD22 ASN 8 -3.026 -6.196 30.718 71 HD22 ASN 8 HD21 ASN 8 -4.206 -7.327 30.075 72 H GLN 9 H GLN 9 0.502 -8.956 31.274 73 HA GLN 9 HA GLN 9 -0.025 -7.395 33.760 74 HB2 GLN 9 HB2 GLN 9 -0.903 -10.273 33.229 75 HB3 GLN 9 HB3 GLN 9 -0.950 -9.466 34.801 76 HG2 GLN 9 HG2 GLN 9 -2.510 -7.760 33.868 77 HG3 GLN 9 HG3 GLN 9 -2.565 -8.649 32.344 78 HE21 GLN 9 HE22 GLN 9 -4.693 -8.048 34.480 79 HE22 GLN 9 HE21 GLN 9 -5.370 -9.648 34.812 80 H ARG 10 H ARG 10 2.112 -9.373 31.920 81 HA ARG 10 HA ARG 10 3.505 -10.568 34.220 82 HB2 ARG 10 HB2 ARG 10 2.910 -11.808 32.110 83 HB3 ARG 10 HB3 ARG 10 4.076 -10.813 31.236 84 HG2 ARG 10 HG2 ARG 10 5.892 -11.665 32.728 85 HG3 ARG 10 HG3 ARG 10 4.713 -12.628 33.621 86 HD2 ARG 10 HD2 ARG 10 5.310 -12.925 30.647 87 HD3 ARG 10 HD3 ARG 10 6.044 -13.909 31.926 88 HE ARG 10 HE ARG 10 3.293 -14.134 32.322 89 HH11 ARG 10 HH21 ARG 10 5.539 -15.048 29.745 90 HH12 ARG 10 HH22 ARG 10 4.528 -16.354 29.205 91 HH21 ARG 10 HH11 ARG 10 2.037 -15.831 31.571 92 HH22 ARG 10 HH12 ARG 10 2.581 -16.794 30.232 93 H LYS 11 H LYS 11 3.820 -8.237 34.852 94 HA LYS 11 HA LYS 11 5.114 -6.447 35.359 95 HB2 LYS 11 HB2 LYS 11 7.028 -8.088 35.271 96 HB3 LYS 11 HB3 LYS 11 7.343 -7.567 33.609 97 HG2 LYS 11 HG2 LYS 11 7.705 -5.246 34.391 98 HG3 LYS 11 HG3 LYS 11 7.338 -5.745 36.055 99 HD2 LYS 11 HD2 LYS 11 9.277 -7.294 36.016 100 HD3 LYS 11 HD3 LYS 11 9.643 -6.792 34.350 101 HE2 LYS 11 HE2 LYS 11 9.943 -4.447 35.126 102 HE3 LYS 11 HE3 LYS 11 9.573 -4.944 36.783 103 HZ1 LYS 11 HZ1 LYS 11 11.962 -4.820 36.411 104 HZ2 LYS 11 HZ2 LYS 11 11.546 -6.366 36.729 105 HZ3 LYS 11 HZ3 LYS 11 11.890 -5.907 35.196 106 H THR 12 H THR 12 5.353 -7.261 31.907 107 HA THR 12 HA THR 12 5.256 -4.644 30.764 108 HB THR 12 HB THR 12 4.082 -7.248 29.686 109 HG1 THR 12 HG1 THR 12 6.738 -6.241 29.561 110 HG21 THR 12 HG21 THR 12 3.545 -5.400 28.197 111 HG22 THR 12 HG22 THR 12 5.217 -4.788 28.279 112 HG23 THR 12 HG23 THR 12 4.861 -6.330 27.477 113 H VAL 13 H VAL 13 3.448 -3.490 29.929 114 HA VAL 13 HA VAL 13 0.718 -4.361 30.543 115 HB VAL 13 HB VAL 13 1.559 -3.198 32.615 116 HG11 VAL 13 HG11 VAL 13 1.778 -0.782 32.678 117 HG12 VAL 13 HG12 VAL 13 2.962 -1.443 31.537 118 HG13 VAL 13 HG13 VAL 13 1.481 -0.663 30.937 119 HG21 VAL 13 HG21 VAL 13 -0.452 -1.885 32.974 120 HG22 VAL 13 HG22 VAL 13 -0.780 -1.838 31.230 121 HG23 VAL 13 HG23 VAL 13 -0.825 -3.383 32.113 122 H LYS 14 H LYS 14 -0.847 -3.350 29.237 123 HA LYS 14 HA LYS 14 0.115 -1.478 27.151 124 HB2 LYS 14 HB2 LYS 14 0.348 -3.966 26.533 125 HB3 LYS 14 HB3 LYS 14 -1.416 -4.050 26.568 126 HG2 LYS 14 HG2 LYS 14 -1.550 -2.335 24.782 127 HG3 LYS 14 HG3 LYS 14 0.206 -2.150 24.841 128 HD2 LYS 14 HD2 LYS 14 -0.190 -3.517 22.973 129 HD3 LYS 14 HD3 LYS 14 0.415 -4.603 24.230 130 HE2 LYS 14 HE2 LYS 14 -1.865 -5.388 24.707 131 HE3 LYS 14 HE3 LYS 14 -2.547 -4.178 23.612 132 HZ1 LYS 14 HZ1 LYS 14 -1.442 -5.285 21.767 133 HZ2 LYS 14 HZ2 LYS 14 -0.772 -6.399 22.759 134 HZ3 LYS 14 HZ3 LYS 14 -2.394 -6.358 22.549 135 H CYS 15 H CYS 15 -1.303 0.049 26.551 136 HA CYS 15 HA CYS 15 -3.637 0.553 28.096 137 HB2 CYS 15 HB2 CYS 15 -2.258 2.245 27.179 138 HB3 CYS 15 HB3 CYS 15 -2.569 1.712 25.523 139 H PHE 16 H PHE 16 -5.790 0.372 27.752 140 HA PHE 16 HA PHE 16 -6.759 -1.418 25.624 141 HB2 PHE 16 HB2 PHE 16 -8.239 0.089 27.807 142 HB3 PHE 16 HB3 PHE 16 -8.916 -1.150 26.760 143 HD1 PHE 16 HD2 PHE 16 -6.011 -2.830 27.284 144 HD2 PHE 16 HD1 PHE 16 -9.320 -1.272 29.562 145 HE1 PHE 16 HE2 PHE 16 -5.636 -4.546 29.032 146 HE2 PHE 16 HE1 PHE 16 -8.990 -3.045 31.267 147 HZ PHE 16 HZ PHE 16 -7.127 -4.677 31.007 148 H ASN 17 H ASN 17 -6.565 2.086 26.120 149 HA ASN 17 HA ASN 17 -8.762 2.650 24.255 150 HB2 ASN 17 HB2 ASN 17 -8.372 4.132 26.183 151 HB3 ASN 17 HB3 ASN 17 -6.764 4.517 25.585 152 HD21 ASN 17 HD21 ASN 17 -7.289 6.800 25.391 153 HD22 ASN 17 HD22 ASN 17 -8.301 7.349 24.065 154 H CYS 18 H CYS 18 -5.185 3.277 24.204 155 HA CYS 18 HA CYS 18 -5.411 3.732 21.253 156 HB2 CYS 18 HB2 CYS 18 -3.476 4.964 21.307 157 HB3 CYS 18 HB3 CYS 18 -4.411 5.507 22.688 158 H GLY 19 H GLY 19 -4.325 1.283 23.386 159 HA2 GLY 19 HA2 GLY 19 -3.733 -0.886 22.766 160 HA3 GLY 19 HA3 GLY 19 -3.452 -0.341 21.100 161 H LYS 20 H LYS 20 -1.685 1.748 23.021 162 HA LYS 20 HA LYS 20 0.801 0.347 22.280 163 HB2 LYS 20 HB2 LYS 20 0.247 3.150 23.298 164 HB3 LYS 20 HB3 LYS 20 1.845 2.544 22.849 165 HG2 LYS 20 HG2 LYS 20 1.073 2.163 20.547 166 HG3 LYS 20 HG3 LYS 20 -0.556 2.725 20.970 167 HD2 LYS 20 HD2 LYS 20 0.369 4.946 21.584 168 HD3 LYS 20 HD3 LYS 20 1.993 4.392 21.113 169 HE2 LYS 20 HE2 LYS 20 1.165 3.961 18.804 170 HE3 LYS 20 HE3 LYS 20 -0.449 4.506 19.278 171 HZ1 LYS 20 HZ1 LYS 20 0.795 6.275 18.189 172 HZ2 LYS 20 HZ2 LYS 20 0.497 6.699 19.739 173 HZ3 LYS 20 HZ3 LYS 20 1.991 6.197 19.298 174 H GLU 21 H GLU 21 2.532 -0.082 23.571 175 HA GLU 21 HA GLU 21 2.167 -1.131 26.120 176 HB2 GLU 21 HB2 GLU 21 4.657 -0.423 24.571 177 HB3 GLU 21 HB3 GLU 21 4.602 -1.406 26.043 178 HG2 GLU 21 HG2 GLU 21 4.199 -3.130 24.772 179 HG3 GLU 21 HG3 GLU 21 2.580 -2.589 24.636 180 H GLY 22 H GLY 22 3.461 -0.800 27.941 181 HA2 GLY 22 HA2 GLY 22 4.660 0.272 29.602 182 HA3 GLY 22 HA3 GLY 22 4.871 1.661 28.513 183 H HIS 23 H HIS 23 1.558 1.060 28.904 184 HA HIS 23 HA HIS 23 1.179 2.538 31.369 185 HB2 HIS 23 HB2 HIS 23 0.383 4.613 30.454 186 HB3 HIS 23 HB3 HIS 23 1.931 4.313 29.717 187 HD1 HIS 23 HD1 HIS 23 1.814 3.475 27.064 188 HD2 HIS 23 HD2 HIS 23 -1.780 4.701 28.872 189 HE1 HIS 23 HE1 HIS 23 0.165 3.962 25.178 190 H ILE 24 H ILE 24 -1.188 3.402 31.404 191 HA ILE 24 HA ILE 24 -3.136 1.403 30.379 192 HB ILE 24 HB ILE 24 -4.285 1.485 32.565 193 HG12 ILE 24 HG12 ILE 24 -1.849 3.009 33.632 194 HG13 ILE 24 HG13 ILE 24 -3.454 3.687 33.366 195 HG21 ILE 24 HG21 ILE 24 -2.885 -0.099 33.692 196 HG22 ILE 24 HG22 ILE 24 -2.567 -0.287 31.967 197 HG23 ILE 24 HG23 ILE 24 -1.407 0.586 32.980 198 HD11 ILE 24 HD11 ILE 24 -4.418 2.088 35.013 199 HD12 ILE 24 HD12 ILE 24 -2.769 1.514 35.373 200 HD13 ILE 24 HD13 ILE 24 -3.214 3.194 35.704 201 H ALA 25 H ALA 25 -5.344 2.291 30.205 202 HA ALA 25 HA ALA 25 -5.383 4.787 29.024 203 HB1 ALA 25 HB1 ALA 25 -7.842 4.516 29.032 204 HB2 ALA 25 HB2 ALA 25 -7.043 2.971 28.685 205 HB3 ALA 25 HB3 ALA 25 -7.719 3.283 30.304 206 H LYS 26 H LYS 26 -5.800 4.185 32.463 207 HA LYS 26 HA LYS 26 -6.857 6.738 33.266 208 HB2 LYS 26 HB2 LYS 26 -6.648 4.498 34.546 209 HB3 LYS 26 HB3 LYS 26 -4.975 4.951 34.861 210 HG2 LYS 26 HG2 LYS 26 -5.760 7.008 36.022 211 HG3 LYS 26 HG3 LYS 26 -7.438 6.580 35.638 212 HD2 LYS 26 HD2 LYS 26 -7.112 4.423 36.921 213 HD3 LYS 26 HD3 LYS 26 -5.503 5.004 37.393 214 HE2 LYS 26 HE2 LYS 26 -6.577 7.022 38.428 215 HE3 LYS 26 HE3 LYS 26 -8.168 6.381 37.987 216 HZ1 LYS 26 HZ1 LYS 26 -7.601 5.843 40.280 217 HZ2 LYS 26 HZ2 LYS 26 -7.716 4.462 39.415 218 HZ3 LYS 26 HZ3 LYS 26 -6.246 5.057 39.824 219 H ASN 27 H ASN 27 -3.649 5.670 32.442 220 HA ASN 27 HA ASN 27 -2.297 8.152 33.352 221 HB2 ASN 27 HB2 ASN 27 -1.572 5.787 33.957 222 HB3 ASN 27 HB3 ASN 27 -1.206 5.538 32.254 223 HD21 ASN 27 HD22 ASN 27 0.900 4.964 33.389 224 HD22 ASN 27 HD21 ASN 27 2.038 6.269 33.621 225 H CYS 28 H CYS 28 -3.450 6.543 30.482 226 HA CYS 28 HA CYS 28 -1.854 7.528 28.426 227 HB2 CYS 28 HB2 CYS 28 -3.628 5.802 28.289 228 HB3 CYS 28 HB3 CYS 28 -4.856 7.066 28.382 229 H ARG 29 H ARG 29 -2.065 9.112 26.892 230 HA ARG 29 HA ARG 29 -3.507 11.626 27.616 231 HB2 ARG 29 HB2 ARG 29 -1.699 12.888 26.620 232 HB3 ARG 29 HB3 ARG 29 -1.104 11.858 27.914 233 HG2 ARG 29 HG2 ARG 29 -0.234 10.229 26.225 234 HG3 ARG 29 HG3 ARG 29 -0.875 11.246 24.928 235 HD2 ARG 29 HD2 ARG 29 1.469 11.690 25.120 236 HD3 ARG 29 HD3 ARG 29 0.587 13.114 25.696 237 HE ARG 29 HE ARG 29 1.229 11.309 27.865 238 HH11 ARG 29 HH21 ARG 29 2.769 13.756 25.824 239 HH12 ARG 29 HH22 ARG 29 3.968 14.133 27.025 240 HH21 ARG 29 HH11 ARG 29 2.797 11.852 29.373 241 HH22 ARG 29 HH12 ARG 29 3.984 13.065 29.002 242 H ALA 30 H ALA 30 -3.722 9.110 25.446 243 HA ALA 30 HA ALA 30 -4.143 10.585 22.966 244 HB1 ALA 30 HB1 ALA 30 -3.426 8.186 23.077 245 HB2 ALA 30 HB2 ALA 30 -5.003 7.772 23.786 246 HB3 ALA 30 HB3 ALA 30 -4.911 8.391 22.135 247 HA PRO 31 HA PRO 31 -8.366 11.851 23.594 248 HB2 PRO 31 HB2 PRO 31 -9.569 11.451 21.146 249 HB3 PRO 31 HB3 PRO 31 -8.419 12.777 21.496 250 HG2 PRO 31 HG2 PRO 31 -7.832 10.091 20.213 251 HG3 PRO 31 HG3 PRO 31 -7.322 11.720 19.659 252 HD2 PRO 31 HD2 PRO 31 -5.651 10.147 21.077 253 HD3 PRO 31 HD3 PRO 31 -5.714 11.904 21.395 254 H ARG 32 H ARG 32 -10.248 11.002 24.317 255 HA ARG 32 HA ARG 32 -10.452 8.037 24.434 256 HB2 ARG 32 HB2 ARG 32 -11.721 10.184 26.146 257 HB3 ARG 32 HB3 ARG 32 -11.892 8.437 26.328 258 HG2 ARG 32 HG2 ARG 32 -9.455 8.196 26.677 259 HG3 ARG 32 HG3 ARG 32 -9.254 9.951 26.554 260 HD2 ARG 32 HD2 ARG 32 -10.585 10.333 28.520 261 HD3 ARG 32 HD3 ARG 32 -11.066 8.633 28.617 262 HE ARG 32 HE ARG 32 -8.342 8.461 28.741 263 HH11 ARG 32 HH21 ARG 32 -10.701 10.257 30.674 264 HH12 ARG 32 HH22 ARG 32 -9.589 10.458 32.004 265 HH21 ARG 32 HH11 ARG 32 -7.082 8.480 30.600 266 HH22 ARG 32 HH12 ARG 32 -7.563 9.459 31.958 267 H LYS 33 H LYS 33 -12.073 6.906 23.811 268 HA LYS 33 HA LYS 33 -13.576 7.795 21.556 269 HB2 LYS 33 HB2 LYS 33 -13.545 5.181 23.139 270 HB3 LYS 33 HB3 LYS 33 -14.379 5.386 21.594 271 HG2 LYS 33 HG2 LYS 33 -12.284 5.988 20.478 272 HG3 LYS 33 HG3 LYS 33 -11.394 5.836 21.999 273 HD2 LYS 33 HD2 LYS 33 -11.813 3.447 22.092 274 HD3 LYS 33 HD3 LYS 33 -12.952 3.545 20.743 275 HE2 LYS 33 HE2 LYS 33 -10.833 2.651 19.944 276 HE3 LYS 33 HE3 LYS 33 -11.161 4.220 19.207 277 HZ1 LYS 33 HZ1 LYS 33 -9.617 5.202 20.862 278 HZ2 LYS 33 HZ2 LYS 33 -9.265 3.716 21.444 279 HZ3 LYS 33 HZ3 LYS 33 -8.872 4.097 19.912 280 H LYS 34 H LYS 34 -15.898 7.037 21.195 281 HA LYS 34 HA LYS 34 -17.698 8.249 23.213 282 HB2 LYS 34 HB2 LYS 34 -18.191 7.236 20.374 283 HB3 LYS 34 HB3 LYS 34 -19.392 8.037 21.398 284 HG2 LYS 34 HG2 LYS 34 -17.967 10.072 21.497 285 HG3 LYS 34 HG3 LYS 34 -16.803 9.303 20.401 286 HD2 LYS 34 HD2 LYS 34 -18.566 9.093 18.668 287 HD3 LYS 34 HD3 LYS 34 -19.729 9.878 19.760 288 HE2 LYS 34 HE2 LYS 34 -18.283 11.902 19.837 289 HE3 LYS 34 HE3 LYS 34 -17.128 11.122 18.748 290 HZ1 LYS 34 HZ1 LYS 34 -19.943 11.773 18.062 291 HZ2 LYS 34 HZ2 LYS 34 -18.628 12.589 17.540 292 HZ3 LYS 34 HZ3 LYS 34 -18.874 11.050 17.054 293 H GLY 35 H GLY 35 -16.391 5.643 23.745 294 HA2 GLY 35 HA2 GLY 35 -18.587 4.121 24.816 295 HA3 GLY 35 HA3 GLY 35 -18.009 3.385 23.333 296 H CYS 36 H CYS 36 -17.818 1.738 25.111 297 HA CYS 36 HA CYS 36 -15.826 1.708 27.123 298 HB2 CYS 36 HB2 CYS 36 -17.787 0.334 27.050 299 HB3 CYS 36 HB3 CYS 36 -17.255 -0.438 25.556 300 H TRP 37 H TRP 37 -13.698 1.058 27.180 301 HA TRP 37 HA TRP 37 -12.306 0.393 24.647 302 HB2 TRP 37 HB2 TRP 37 -11.200 0.538 27.463 303 HB3 TRP 37 HB3 TRP 37 -10.298 0.531 25.955 304 HD1 TRP 37 HD1 TRP 37 -11.563 2.814 24.324 305 HE1 TRP 37 HE1 TRP 37 -11.370 5.259 25.070 306 HE3 TRP 37 HE3 TRP 37 -10.685 2.087 29.312 307 HZ2 TRP 37 HZ2 TRP 37 -11.039 6.699 27.524 308 HZ3 TRP 37 HZ3 TRP 37 -10.500 4.016 30.848 309 HH2 TRP 37 HH2 TRP 37 -10.696 6.347 29.961 310 H LYS 38 H LYS 38 -13.721 -1.342 27.319 311 HA LYS 38 HA LYS 38 -11.943 -3.674 27.141 312 HB2 LYS 38 HB2 LYS 38 -12.735 -2.836 29.253 313 HB3 LYS 38 HB3 LYS 38 -14.417 -3.040 28.805 314 HG2 LYS 38 HG2 LYS 38 -14.053 -5.522 28.691 315 HG3 LYS 38 HG3 LYS 38 -12.384 -5.257 29.254 316 HD2 LYS 38 HD2 LYS 38 -13.291 -4.117 31.297 317 HD3 LYS 38 HD3 LYS 38 -14.940 -4.429 30.717 318 HE2 LYS 38 HE2 LYS 38 -14.435 -6.886 30.732 319 HE3 LYS 38 HE3 LYS 38 -12.843 -6.526 31.426 320 HZ1 LYS 38 HZ1 LYS 38 -15.446 -5.828 32.693 321 HZ2 LYS 38 HZ2 LYS 38 -14.522 -7.106 33.108 322 HZ3 LYS 38 HZ3 LYS 38 -13.966 -5.582 33.355 323 H CYS 39 H CYS 39 -15.284 -2.913 26.104 324 HA CYS 39 HA CYS 39 -15.157 -5.383 24.372 325 HB2 CYS 39 HB2 CYS 39 -17.444 -5.642 24.402 326 HB3 CYS 39 HB3 CYS 39 -16.995 -5.392 26.081 327 H GLY 40 H GLY 40 -15.476 -1.913 24.186 328 HA2 GLY 40 HA2 GLY 40 -15.041 -0.714 22.177 329 HA3 GLY 40 HA3 GLY 40 -15.517 -2.123 21.218 330 H LYS 41 H LYS 41 -18.012 -2.055 23.301 331 HA LYS 41 HA LYS 41 -19.723 -0.688 21.348 332 HB2 LYS 41 HB2 LYS 41 -20.447 -2.154 23.902 333 HB3 LYS 41 HB3 LYS 41 -21.564 -1.646 22.641 334 HG2 LYS 41 HG2 LYS 41 -20.564 -3.221 21.046 335 HG3 LYS 41 HG3 LYS 41 -19.281 -3.627 22.186 336 HD2 LYS 41 HD2 LYS 41 -20.800 -5.421 22.339 337 HD3 LYS 41 HD3 LYS 41 -20.996 -4.470 23.801 338 HE2 LYS 41 HE2 LYS 41 -23.193 -4.995 23.166 339 HE3 LYS 41 HE3 LYS 41 -22.995 -3.320 22.643 340 HZ1 LYS 41 HZ1 LYS 41 -24.019 -4.701 20.921 341 HZ2 LYS 41 HZ2 LYS 41 -22.559 -4.190 20.387 342 HZ3 LYS 41 HZ3 LYS 41 -22.746 -5.731 20.925 343 H GLU 42 H GLU 42 -21.424 0.808 21.953 344 HA GLU 42 HA GLU 42 -20.277 3.052 23.447 345 HB2 GLU 42 HB2 GLU 42 -22.029 4.364 22.417 346 HB3 GLU 42 HB3 GLU 42 -21.135 3.447 21.226 347 HG2 GLU 42 HG2 GLU 42 -23.765 2.359 22.296 348 HG3 GLU 42 HG3 GLU 42 -23.754 3.653 21.111 349 H GLY 43 H GLY 43 -21.849 4.531 24.629 350 HA2 GLY 43 HA2 GLY 43 -23.557 5.022 26.075 351 HA3 GLY 43 HA3 GLY 43 -24.178 3.370 25.888 352 H HIS 44 H HIS 44 -20.963 3.220 27.016 353 HA HIS 44 HA HIS 44 -21.567 3.542 29.853 354 HB2 HIS 44 HB2 HIS 44 -21.382 1.190 30.446 355 HB3 HIS 44 HB3 HIS 44 -22.688 1.384 29.301 356 HD1 HIS 44 HD1 HIS 44 -21.952 0.629 26.641 357 HD2 HIS 44 HD2 HIS 44 -19.506 -0.525 29.858 358 HE1 HIS 44 HE1 HIS 44 -20.455 -1.241 25.785 359 H GLN 45 H GLN 45 -19.760 2.888 31.266 360 HA GLN 45 HA GLN 45 -17.062 3.157 29.997 361 HB2 GLN 45 HB2 GLN 45 -18.039 3.730 32.835 362 HB3 GLN 45 HB3 GLN 45 -16.340 3.665 32.368 363 HG2 GLN 45 HG2 GLN 45 -16.751 5.494 30.699 364 HG3 GLN 45 HG3 GLN 45 -18.407 5.626 31.286 365 HE21 GLN 45 HE22 GLN 45 -16.783 7.894 31.372 366 HE22 GLN 45 HE21 GLN 45 -16.362 8.224 33.036 367 H MET 46 H MET 46 -15.465 1.633 30.565 368 HA MET 46 HA MET 46 -16.444 -0.966 30.612 369 HB2 MET 46 HB2 MET 46 -14.115 -1.643 30.672 370 HB3 MET 46 HB3 MET 46 -14.415 -0.364 29.494 371 HG2 MET 46 HG2 MET 46 -13.380 1.288 30.943 372 HG3 MET 46 HG3 MET 46 -13.261 0.107 32.253 373 HE1 MET 46 HE1 MET 46 -10.693 0.265 32.716 374 HE2 MET 46 HE2 MET 46 -9.524 0.524 31.408 375 HE3 MET 46 HE3 MET 46 -10.830 1.699 31.677 376 H LYS 47 H LYS 47 -15.806 0.862 33.506 377 HA LYS 47 HA LYS 47 -15.486 -1.454 35.248 378 HB2 LYS 47 HB2 LYS 47 -16.254 0.182 37.045 379 HB3 LYS 47 HB3 LYS 47 -14.734 0.470 36.261 380 HG2 LYS 47 HG2 LYS 47 -15.594 2.253 34.930 381 HG3 LYS 47 HG3 LYS 47 -17.275 1.915 35.428 382 HD2 LYS 47 HD2 LYS 47 -16.678 2.537 37.750 383 HD3 LYS 47 HD3 LYS 47 -15.000 2.829 37.253 384 HE2 LYS 47 HE2 LYS 47 -15.890 4.541 35.602 385 HE3 LYS 47 HE3 LYS 47 -17.495 4.317 36.298 386 HZ1 LYS 47 HZ1 LYS 47 -16.374 6.205 37.296 387 HZ2 LYS 47 HZ2 LYS 47 -16.579 5.059 38.441 388 HZ3 LYS 47 HZ3 LYS 47 -15.101 5.294 37.769 389 H ASP 48 H ASP 48 -18.271 -0.098 33.659 390 HA ASP 48 HA ASP 48 -20.192 -1.557 35.383 391 HB2 ASP 48 HB2 ASP 48 -20.640 0.716 34.377 392 HB3 ASP 48 HB3 ASP 48 -20.618 -0.037 32.781 393 H CYS 49 H CYS 49 -18.068 -2.387 32.900 394 HA CYS 49 HA CYS 49 -19.902 -4.189 31.440 395 HB2 CYS 49 HB2 CYS 49 -18.523 -2.464 30.321 396 HB3 CYS 49 HB3 CYS 49 -17.066 -3.327 30.813 397 H THR 50 H THR 50 -19.652 -6.342 31.208 398 HA THR 50 HA THR 50 -17.985 -7.804 33.159 399 HB THR 50 HB THR 50 -19.345 -9.769 32.324 400 HG1 THR 50 HG1 THR 50 -21.245 -9.165 31.166 401 HG21 THR 50 HG21 THR 50 -19.936 -8.511 34.385 402 HG22 THR 50 HG22 THR 50 -20.923 -7.392 33.420 403 HG23 THR 50 HG23 THR 50 -21.372 -9.107 33.538 404 H GLU 51 H GLU 51 -18.795 -8.568 29.807 405 HA GLU 51 HA GLU 51 -15.975 -9.027 29.064 406 HB2 GLU 51 HB2 GLU 51 -16.300 -11.368 28.696 407 HB3 GLU 51 HB3 GLU 51 -16.835 -10.970 30.337 408 HG2 GLU 51 HG2 GLU 51 -19.209 -10.963 29.541 409 HG3 GLU 51 HG3 GLU 51 -18.649 -11.496 27.954 410 H ARG 52 H ARG 52 -15.685 -9.743 26.846 411 HA ARG 52 HA ARG 52 -17.167 -8.147 24.951 412 HB2 ARG 52 HB2 ARG 52 -15.099 -10.323 24.424 413 HB3 ARG 52 HB3 ARG 52 -15.617 -9.058 23.307 414 HG2 ARG 52 HG2 ARG 52 -14.723 -7.348 24.935 415 HG3 ARG 52 HG3 ARG 52 -14.088 -8.665 25.916 416 HD2 ARG 52 HD2 ARG 52 -12.276 -7.861 24.602 417 HD3 ARG 52 HD3 ARG 52 -12.731 -9.439 23.972 418 HE ARG 52 HE ARG 52 -13.577 -8.466 21.997 419 HH11 ARG 52 HH21 ARG 52 -12.539 -5.825 24.134 420 HH12 ARG 52 HH22 ARG 52 -12.254 -4.756 22.786 421 HH21 ARG 52 HH11 ARG 52 -13.277 -7.046 20.360 422 HH22 ARG 52 HH12 ARG 52 -12.760 -5.408 20.685 423 H GLN 53 H GLN 53 -17.983 -9.042 22.857 424 HA GLN 53 HA GLN 53 -19.616 -11.530 23.195 425 HB2 GLN 53 HB2 GLN 53 -19.609 -9.475 20.936 426 HB3 GLN 53 HB3 GLN 53 -20.708 -10.843 21.127 427 HG2 GLN 53 HG2 GLN 53 -21.532 -9.828 23.280 428 HG3 GLN 53 HG3 GLN 53 -20.551 -8.397 22.935 429 HE21 GLN 53 HE22 GLN 53 -23.275 -10.397 21.629 430 HE22 GLN 53 HE21 GLN 53 -23.965 -9.067 20.712 431 H ALA 54 H ALA 54 -19.402 -11.992 20.209 432 HA ALA 54 HA ALA 54 -16.849 -13.430 20.091 433 HB1 ALA 54 HB1 ALA 54 -19.057 -13.034 18.019 434 HB2 ALA 54 HB2 ALA 54 -17.731 -14.211 17.933 435 HB3 ALA 54 HB3 ALA 54 -18.966 -14.372 19.190 436 H ASN 55 H ASN 55 -16.664 -10.527 20.391 437 HA ASN 55 HA ASN 55 -15.558 -9.568 17.782 438 HB2 ASN 55 HB2 ASN 55 -16.638 -7.530 18.101 439 HB3 ASN 55 HB3 ASN 55 -17.856 -8.649 18.674 440 HD21 ASN 55 HD22 ASN 55 -15.966 -5.921 19.423 441 HD22 ASN 55 HD21 ASN 55 -16.399 -5.775 21.117 442 H9 1HF 103 H9 1HF 58 -9.939 4.444 36.041 443 H12 1HF 103 H12 1HF 58 -8.926 6.443 31.341 444 H4 1HF 103 H4 1HF 58 -6.230 -2.523 34.167 445 H6 1HF 103 H6 1HF 58 -2.996 -5.037 32.784 446 H7 1HF 103 H7 1HF 58 -2.812 -3.653 30.688 447 H1 1HF 103 H1 1HF 58 -3.949 -1.542 29.411 448 H8 1HF 103 H8 1HF 58 -8.255 0.024 36.162 449 H11 1HF 103 H11 1HF 58 -10.256 8.143 33.045 450 H10 1HF 103 H10 1HF 58 -10.561 6.667 35.355 451 H9 1HF 104 H9 1HF 59 -12.239 2.508 37.065 452 H12 1HF 104 H12 1HF 59 -12.690 -1.645 33.954 453 H4 1HF 104 H4 1HF 59 -13.882 7.483 30.998 454 H6 1HF 104 H6 1HF 59 -14.124 9.310 27.091 455 H7 1HF 104 H7 1HF 59 -14.125 7.055 26.026 456 H1 1HF 104 H1 1HF 59 -14.405 4.363 26.628 457 H8 1HF 104 H8 1HF 59 -13.502 6.303 34.517 458 H11 1HF 104 H11 1HF 59 -12.034 -2.236 36.563 459 H10 1HF 104 H10 1HF 59 -11.867 0.252 37.775 Start of MODEL 5 1 H1 ILE 1 H1 ILE 1 -8.257 -14.938 22.776 2 H2 ILE 1 H2 ILE 1 -8.580 -16.404 23.427 3 H3 ILE 1 H3 ILE 1 -7.026 -15.921 23.193 4 HA ILE 1 HA ILE 1 -8.938 -14.650 25.038 5 HB ILE 1 HB ILE 1 -7.581 -15.468 26.889 6 HG12 ILE 1 HG13 ILE 1 -6.179 -17.221 24.897 7 HG13 ILE 1 HG12 ILE 1 -5.387 -15.821 25.678 8 HG21 ILE 1 HG21 ILE 1 -8.502 -17.674 26.968 9 HG22 ILE 1 HG22 ILE 1 -9.631 -16.665 26.070 10 HG23 ILE 1 HG23 ILE 1 -8.569 -17.807 25.205 11 HD11 ILE 1 HD11 ILE 1 -4.638 -17.800 26.784 12 HD12 ILE 1 HD12 ILE 1 -5.697 -16.906 27.893 13 HD13 ILE 1 HD13 ILE 1 -6.291 -18.368 27.065 14 H GLN 2 H GLN 2 -8.012 -13.059 26.468 15 HA GLN 2 HA GLN 2 -6.770 -11.297 27.114 16 HB2 GLN 2 HB2 GLN 2 -4.775 -12.838 26.631 17 HB3 GLN 2 HB3 GLN 2 -4.586 -11.962 25.106 18 HG2 GLN 2 HG2 GLN 2 -4.196 -9.870 26.316 19 HG3 GLN 2 HG3 GLN 2 -4.575 -10.651 27.858 20 HE21 GLN 2 HE22 GLN 2 -2.285 -10.979 25.039 21 HE22 GLN 2 HE21 GLN 2 -0.911 -11.336 26.065 22 H LYS 3 H LYS 3 -6.203 -9.083 26.432 23 HA LYS 3 HA LYS 3 -7.924 -7.970 24.485 24 HB2 LYS 3 HB2 LYS 3 -7.013 -6.829 26.480 25 HB3 LYS 3 HB3 LYS 3 -5.387 -6.926 25.816 26 HG2 LYS 3 HG2 LYS 3 -6.231 -4.687 25.611 27 HG3 LYS 3 HG3 LYS 3 -5.995 -5.366 24.008 28 HD2 LYS 3 HD2 LYS 3 -8.442 -5.774 23.814 29 HD3 LYS 3 HD3 LYS 3 -8.677 -5.137 25.460 30 HE2 LYS 3 HE2 LYS 3 -7.760 -2.955 24.765 31 HE3 LYS 3 HE3 LYS 3 -7.432 -3.583 23.144 32 HZ1 LYS 3 HZ1 LYS 3 -10.134 -3.270 24.347 33 HZ2 LYS 3 HZ2 LYS 3 -9.489 -2.330 23.177 34 HZ3 LYS 3 HZ3 LYS 3 -9.836 -3.897 22.861 35 H GLY 4 H GLY 4 -4.704 -9.259 24.078 36 HA2 GLY 4 HA2 GLY 4 -4.882 -9.383 21.227 37 HA3 GLY 4 HA3 GLY 4 -3.787 -8.089 21.673 38 H ASN 5 H ASN 5 -2.617 -9.946 20.274 39 HA ASN 5 HA ASN 5 -1.602 -12.229 21.709 40 HB2 ASN 5 HB2 ASN 5 -1.957 -12.032 19.232 41 HB3 ASN 5 HB3 ASN 5 -0.609 -10.899 19.156 42 HD21 ASN 5 HD22 ASN 5 1.244 -11.911 18.407 43 HD22 ASN 5 HD21 ASN 5 1.672 -13.576 18.759 44 H PHE 6 H PHE 6 -0.738 -8.994 21.995 45 HA PHE 6 HA PHE 6 2.107 -9.052 22.272 46 HB2 PHE 6 HB2 PHE 6 0.037 -7.142 23.440 47 HB3 PHE 6 HB3 PHE 6 1.750 -6.807 23.250 48 HD1 PHE 6 HD1 PHE 6 2.753 -6.429 21.010 49 HD2 PHE 6 HD2 PHE 6 -1.494 -6.998 21.528 50 HE1 PHE 6 HE1 PHE 6 2.346 -5.483 18.751 51 HE2 PHE 6 HE2 PHE 6 -1.892 -6.067 19.264 52 HZ PHE 6 HZ PHE 6 0.024 -5.302 17.874 53 H ARG 7 H ARG 7 3.147 -8.237 24.371 54 HA ARG 7 HA ARG 7 3.060 -10.051 26.531 55 HB2 ARG 7 HB2 ARG 7 4.048 -7.203 26.185 56 HB3 ARG 7 HB3 ARG 7 4.063 -7.956 27.774 57 HG2 ARG 7 HG2 ARG 7 5.395 -9.861 26.882 58 HG3 ARG 7 HG3 ARG 7 5.443 -9.069 25.291 59 HD2 ARG 7 HD2 ARG 7 6.625 -7.145 26.254 60 HD3 ARG 7 HD3 ARG 7 6.482 -7.845 27.881 61 HE ARG 7 HE ARG 7 7.797 -9.707 26.170 62 HH11 ARG 7 HH11 ARG 7 8.455 -6.607 27.754 63 HH12 ARG 7 HH12 ARG 7 10.164 -6.924 27.863 64 HH21 ARG 7 HH21 ARG 7 10.017 -10.038 26.320 65 HH22 ARG 7 HH22 ARG 7 11.033 -8.836 27.055 66 H ASN 8 H ASN 8 1.568 -6.816 26.437 67 HA ASN 8 HA ASN 8 -0.281 -5.893 27.259 68 HB2 ASN 8 HB2 ASN 8 -1.255 -7.893 26.115 69 HB3 ASN 8 HB3 ASN 8 -1.288 -8.726 27.669 70 HD21 ASN 8 HD22 ASN 8 -3.214 -8.535 28.817 71 HD22 ASN 8 HD21 ASN 8 -4.362 -7.231 28.572 72 H GLN 9 H GLN 9 0.748 -8.460 29.452 73 HA GLN 9 HA GLN 9 0.477 -6.677 31.830 74 HB2 GLN 9 HB2 GLN 9 -0.477 -9.577 31.595 75 HB3 GLN 9 HB3 GLN 9 -0.327 -8.691 33.113 76 HG2 GLN 9 HG2 GLN 9 -2.041 -7.098 32.411 77 HG3 GLN 9 HG3 GLN 9 -2.197 -7.889 30.843 78 HE21 GLN 9 HE22 GLN 9 -3.535 -7.779 33.972 79 HE22 GLN 9 HE21 GLN 9 -4.350 -9.344 33.912 80 H ARG 10 H ARG 10 1.838 -9.682 30.354 81 HA ARG 10 HA ARG 10 3.689 -10.159 32.524 82 HB2 ARG 10 HB2 ARG 10 2.623 -11.915 31.126 83 HB3 ARG 10 HB3 ARG 10 3.550 -11.360 29.725 84 HG2 ARG 10 HG2 ARG 10 5.665 -11.922 30.906 85 HG3 ARG 10 HG3 ARG 10 4.734 -12.420 32.336 86 HD2 ARG 10 HD2 ARG 10 3.603 -14.164 30.950 87 HD3 ARG 10 HD3 ARG 10 4.599 -13.676 29.562 88 HE ARG 10 HE ARG 10 6.248 -14.293 31.838 89 HH11 ARG 10 HH21 ARG 10 4.351 -15.960 29.360 90 HH12 ARG 10 HH22 ARG 10 5.308 -17.407 29.469 91 HH21 ARG 10 HH11 ARG 10 7.442 -16.193 31.932 92 HH22 ARG 10 HH12 ARG 10 7.032 -17.532 30.905 93 H LYS 11 H LYS 11 5.428 -8.970 32.853 94 HA LYS 11 HA LYS 11 7.374 -7.831 32.683 95 HB2 LYS 11 HB2 LYS 11 7.546 -8.942 29.846 96 HB3 LYS 11 HB3 LYS 11 8.824 -8.079 30.693 97 HG2 LYS 11 HG2 LYS 11 8.868 -9.809 32.461 98 HG3 LYS 11 HG3 LYS 11 7.599 -10.714 31.614 99 HD2 LYS 11 HD2 LYS 11 9.074 -10.956 29.638 100 HD3 LYS 11 HD3 LYS 11 10.344 -10.032 30.470 101 HE2 LYS 11 HE2 LYS 11 10.387 -11.744 32.283 102 HE3 LYS 11 HE3 LYS 11 9.146 -12.673 31.433 103 HZ1 LYS 11 HZ1 LYS 11 11.856 -12.077 30.372 104 HZ2 LYS 11 HZ2 LYS 11 11.369 -13.518 30.962 105 HZ3 LYS 11 HZ3 LYS 11 10.711 -12.941 29.584 106 H THR 12 H THR 12 5.128 -7.135 30.050 107 HA THR 12 HA THR 12 5.725 -4.220 30.297 108 HB THR 12 HB THR 12 5.305 -5.677 27.656 109 HG1 THR 12 HG1 THR 12 7.653 -4.500 28.745 110 HG21 THR 12 HG21 THR 12 4.549 -3.366 27.501 111 HG22 THR 12 HG22 THR 12 6.042 -2.783 28.280 112 HG23 THR 12 HG23 THR 12 6.098 -3.530 26.668 113 H VAL 13 H VAL 13 3.941 -2.988 30.309 114 HA VAL 13 HA VAL 13 1.280 -4.291 30.180 115 HB VAL 13 HB VAL 13 2.011 -3.075 32.244 116 HG11 VAL 13 HG11 VAL 13 3.136 -1.116 31.203 117 HG12 VAL 13 HG12 VAL 13 1.559 -0.541 30.623 118 HG13 VAL 13 HG13 VAL 13 1.881 -0.646 32.360 119 HG21 VAL 13 HG21 VAL 13 -0.519 -2.010 30.951 120 HG22 VAL 13 HG22 VAL 13 -0.338 -3.587 31.760 121 HG23 VAL 13 HG23 VAL 13 -0.153 -2.092 32.687 122 H LYS 14 H LYS 14 -0.452 -3.346 28.919 123 HA LYS 14 HA LYS 14 0.366 -1.370 26.833 124 HB2 LYS 14 HB2 LYS 14 0.610 -3.786 26.115 125 HB3 LYS 14 HB3 LYS 14 -1.127 -3.975 26.368 126 HG2 LYS 14 HG2 LYS 14 -1.560 -2.249 24.615 127 HG3 LYS 14 HG3 LYS 14 0.189 -2.130 24.340 128 HD2 LYS 14 HD2 LYS 14 0.246 -4.566 23.754 129 HD3 LYS 14 HD3 LYS 14 -1.488 -4.666 24.084 130 HE2 LYS 14 HE2 LYS 14 -1.527 -4.467 21.792 131 HE3 LYS 14 HE3 LYS 14 -1.742 -2.795 22.292 132 HZ1 LYS 14 HZ1 LYS 14 -0.103 -2.898 20.571 133 HZ2 LYS 14 HZ2 LYS 14 0.717 -2.512 21.924 134 HZ3 LYS 14 HZ3 LYS 14 0.782 -4.040 21.334 135 H CYS 15 H CYS 15 -1.050 0.202 26.384 136 HA CYS 15 HA CYS 15 -3.398 0.634 27.932 137 HB2 CYS 15 HB2 CYS 15 -2.017 2.368 27.037 138 HB3 CYS 15 HB3 CYS 15 -2.377 1.885 25.378 139 H PHE 16 H PHE 16 -5.557 0.435 27.558 140 HA PHE 16 HA PHE 16 -6.454 -1.268 25.316 141 HB2 PHE 16 HB2 PHE 16 -8.055 -0.015 27.569 142 HB3 PHE 16 HB3 PHE 16 -8.580 -1.277 26.463 143 HD1 PHE 16 HD2 PHE 16 -5.586 -2.730 27.008 144 HD2 PHE 16 HD1 PHE 16 -9.055 -1.497 29.256 145 HE1 PHE 16 HE2 PHE 16 -5.109 -4.456 28.724 146 HE2 PHE 16 HE1 PHE 16 -8.590 -3.252 30.942 147 HZ PHE 16 HZ PHE 16 -6.613 -4.742 30.670 148 H ASN 17 H ASN 17 -6.316 2.161 26.030 149 HA ASN 17 HA ASN 17 -8.609 2.842 24.311 150 HB2 ASN 17 HB2 ASN 17 -8.193 4.137 26.364 151 HB3 ASN 17 HB3 ASN 17 -6.610 4.611 25.773 152 HD21 ASN 17 HD21 ASN 17 -6.780 6.813 25.287 153 HD22 ASN 17 HD22 ASN 17 -8.015 7.462 24.223 154 H CYS 18 H CYS 18 -5.103 3.778 24.256 155 HA CYS 18 HA CYS 18 -5.390 4.380 21.351 156 HB2 CYS 18 HB2 CYS 18 -3.460 5.620 21.452 157 HB3 CYS 18 HB3 CYS 18 -4.345 6.038 22.908 158 H GLY 19 H GLY 19 -4.126 1.866 23.336 159 HA2 GLY 19 HA2 GLY 19 -3.632 -0.289 22.554 160 HA3 GLY 19 HA3 GLY 19 -3.352 0.350 20.923 161 H LYS 20 H LYS 20 -1.502 2.303 22.945 162 HA LYS 20 HA LYS 20 0.919 0.851 22.104 163 HB2 LYS 20 HB2 LYS 20 0.339 3.603 23.217 164 HB3 LYS 20 HB3 LYS 20 1.979 2.986 23.135 165 HG2 LYS 20 HG2 LYS 20 1.517 4.393 21.257 166 HG3 LYS 20 HG3 LYS 20 1.854 2.749 20.718 167 HD2 LYS 20 HD2 LYS 20 -0.495 2.353 20.245 168 HD3 LYS 20 HD3 LYS 20 -0.965 3.892 20.977 169 HE2 LYS 20 HE2 LYS 20 0.826 3.611 18.521 170 HE3 LYS 20 HE3 LYS 20 -0.925 3.830 18.452 171 HZ1 LYS 20 HZ1 LYS 20 -0.654 5.945 19.619 172 HZ2 LYS 20 HZ2 LYS 20 0.973 5.770 19.645 173 HZ3 LYS 20 HZ3 LYS 20 0.193 5.944 18.221 174 H GLU 21 H GLU 21 2.454 -0.074 23.319 175 HA GLU 21 HA GLU 21 2.259 -0.943 25.925 176 HB2 GLU 21 HB2 GLU 21 4.631 -0.479 24.141 177 HB3 GLU 21 HB3 GLU 21 4.684 -1.304 25.709 178 HG2 GLU 21 HG2 GLU 21 4.181 -3.104 24.554 179 HG3 GLU 21 HG3 GLU 21 2.549 -2.611 24.714 180 H GLY 22 H GLY 22 3.613 -0.556 27.715 181 HA2 GLY 22 HA2 GLY 22 5.029 0.582 29.164 182 HA3 GLY 22 HA3 GLY 22 5.045 1.981 28.066 183 H HIS 23 H HIS 23 1.825 1.255 28.651 184 HA HIS 23 HA HIS 23 1.501 2.536 31.225 185 HB2 HIS 23 HB2 HIS 23 0.588 4.645 30.483 186 HB3 HIS 23 HB3 HIS 23 2.141 4.465 29.718 187 HD1 HIS 23 HD1 HIS 23 2.064 3.956 27.011 188 HD2 HIS 23 HD2 HIS 23 -1.601 4.676 28.932 189 HE1 HIS 23 HE1 HIS 23 0.365 4.479 25.178 190 H ILE 24 H ILE 24 -0.888 3.270 31.454 191 HA ILE 24 HA ILE 24 -2.796 1.294 30.294 192 HB ILE 24 HB ILE 24 -3.920 1.208 32.488 193 HG12 ILE 24 HG12 ILE 24 -1.544 2.774 33.622 194 HG13 ILE 24 HG13 ILE 24 -3.178 3.399 33.404 195 HG21 ILE 24 HG21 ILE 24 -2.142 -0.450 31.782 196 HG22 ILE 24 HG22 ILE 24 -1.002 0.414 32.826 197 HG23 ILE 24 HG23 ILE 24 -2.440 -0.369 33.519 198 HD11 ILE 24 HD11 ILE 24 -4.060 1.675 34.966 199 HD12 ILE 24 HD12 ILE 24 -2.386 1.155 35.287 200 HD13 ILE 24 HD13 ILE 24 -2.901 2.796 35.707 201 H ALA 25 H ALA 25 -5.041 2.116 30.179 202 HA ALA 25 HA ALA 25 -5.177 4.662 29.143 203 HB1 ALA 25 HB1 ALA 25 -7.632 4.310 29.178 204 HB2 ALA 25 HB2 ALA 25 -6.787 2.818 28.728 205 HB3 ALA 25 HB3 ALA 25 -7.444 3.014 30.372 206 H LYS 26 H LYS 26 -5.581 3.870 32.563 207 HA LYS 26 HA LYS 26 -6.699 6.373 33.452 208 HB2 LYS 26 HB2 LYS 26 -6.499 4.104 34.657 209 HB3 LYS 26 HB3 LYS 26 -4.819 4.519 34.986 210 HG2 LYS 26 HG2 LYS 26 -5.564 6.537 36.233 211 HG3 LYS 26 HG3 LYS 26 -7.251 6.164 35.829 212 HD2 LYS 26 HD2 LYS 26 -6.995 3.959 37.029 213 HD3 LYS 26 HD3 LYS 26 -5.362 4.460 37.514 214 HE2 LYS 26 HE2 LYS 26 -6.349 6.468 38.642 215 HE3 LYS 26 HE3 LYS 26 -7.967 5.920 38.178 216 HZ1 LYS 26 HZ1 LYS 26 -7.426 5.255 40.442 217 HZ2 LYS 26 HZ2 LYS 26 -7.600 3.920 39.518 218 HZ3 LYS 26 HZ3 LYS 26 -6.106 4.431 39.950 219 H ASN 27 H ASN 27 -3.439 5.361 32.695 220 HA ASN 27 HA ASN 27 -2.145 7.837 33.665 221 HB2 ASN 27 HB2 ASN 27 -1.298 5.472 34.049 222 HB3 ASN 27 HB3 ASN 27 -1.011 5.364 32.316 223 HD21 ASN 27 HD22 ASN 27 1.152 4.791 33.460 224 HD22 ASN 27 HD21 ASN 27 2.256 6.131 33.656 225 H CYS 28 H CYS 28 -3.222 6.289 30.692 226 HA CYS 28 HA CYS 28 -1.912 7.781 28.705 227 HB2 CYS 28 HB2 CYS 28 -3.398 5.775 28.420 228 HB3 CYS 28 HB3 CYS 28 -4.788 6.843 28.616 229 H ARG 29 H ARG 29 -2.418 9.567 27.505 230 HA ARG 29 HA ARG 29 -4.539 11.443 28.440 231 HB2 ARG 29 HB2 ARG 29 -1.674 12.190 27.714 232 HB3 ARG 29 HB3 ARG 29 -2.958 13.335 28.098 233 HG2 ARG 29 HG2 ARG 29 -1.806 11.280 30.037 234 HG3 ARG 29 HG3 ARG 29 -1.403 12.989 29.982 235 HD2 ARG 29 HD2 ARG 29 -3.679 13.625 30.570 236 HD3 ARG 29 HD3 ARG 29 -4.224 11.958 30.512 237 HE ARG 29 HE ARG 29 -2.424 13.176 32.547 238 HH11 ARG 29 HH21 ARG 29 -4.266 10.291 31.610 239 HH12 ARG 29 HH22 ARG 29 -4.318 9.691 33.247 240 HH21 ARG 29 HH11 ARG 29 -2.439 12.280 34.598 241 HH22 ARG 29 HH12 ARG 29 -3.254 10.772 34.886 242 H ALA 30 H ALA 30 -3.923 9.491 25.998 243 HA ALA 30 HA ALA 30 -4.235 11.237 23.677 244 HB1 ALA 30 HB1 ALA 30 -4.786 8.255 24.065 245 HB2 ALA 30 HB2 ALA 30 -4.627 9.081 22.514 246 HB3 ALA 30 HB3 ALA 30 -3.223 8.948 23.582 247 HA PRO 31 HA PRO 31 -8.652 11.879 23.908 248 HB2 PRO 31 HB2 PRO 31 -9.535 11.521 21.313 249 HB3 PRO 31 HB3 PRO 31 -8.657 12.970 21.893 250 HG2 PRO 31 HG2 PRO 31 -7.515 10.539 20.482 251 HG3 PRO 31 HG3 PRO 31 -7.222 12.272 20.119 252 HD2 PRO 31 HD2 PRO 31 -5.466 10.853 21.588 253 HD3 PRO 31 HD3 PRO 31 -5.857 12.533 22.047 254 H ARG 32 H ARG 32 -10.483 10.715 24.312 255 HA ARG 32 HA ARG 32 -10.152 7.762 24.305 256 HB2 ARG 32 HB2 ARG 32 -12.032 9.425 25.962 257 HB3 ARG 32 HB3 ARG 32 -11.641 7.711 26.115 258 HG2 ARG 32 HG2 ARG 32 -9.269 8.297 26.612 259 HG3 ARG 32 HG3 ARG 32 -9.697 10.015 26.568 260 HD2 ARG 32 HD2 ARG 32 -11.316 9.667 28.404 261 HD3 ARG 32 HD3 ARG 32 -10.857 7.971 28.516 262 HE ARG 32 HE ARG 32 -9.470 10.251 29.597 263 HH11 ARG 32 HH21 ARG 32 -8.711 7.024 28.306 264 HH12 ARG 32 HH22 ARG 32 -7.288 6.909 29.324 265 HH21 ARG 32 HH11 ARG 32 -7.552 9.998 30.753 266 HH22 ARG 32 HH12 ARG 32 -6.618 8.536 30.554 267 H LYS 33 H LYS 33 -11.476 6.377 23.500 268 HA LYS 33 HA LYS 33 -12.986 6.967 21.205 269 HB2 LYS 33 HB2 LYS 33 -12.920 4.491 22.988 270 HB3 LYS 33 HB3 LYS 33 -13.702 4.535 21.402 271 HG2 LYS 33 HG2 LYS 33 -11.592 5.141 20.314 272 HG3 LYS 33 HG3 LYS 33 -10.759 5.168 21.876 273 HD2 LYS 33 HD2 LYS 33 -11.128 2.785 22.182 274 HD3 LYS 33 HD3 LYS 33 -12.089 2.697 20.686 275 HE2 LYS 33 HE2 LYS 33 -10.160 3.346 19.340 276 HE3 LYS 33 HE3 LYS 33 -9.199 3.670 20.787 277 HZ1 LYS 33 HZ1 LYS 33 -8.666 1.517 19.814 278 HZ2 LYS 33 HZ2 LYS 33 -9.263 1.324 21.319 279 HZ3 LYS 33 HZ3 LYS 33 -10.202 0.987 20.011 280 H LYS 34 H LYS 34 -15.228 6.328 20.683 281 HA LYS 34 HA LYS 34 -17.131 7.670 22.468 282 HB2 LYS 34 HB2 LYS 34 -17.452 6.416 19.705 283 HB3 LYS 34 HB3 LYS 34 -18.696 7.339 20.558 284 HG2 LYS 34 HG2 LYS 34 -17.221 9.340 20.585 285 HG3 LYS 34 HG3 LYS 34 -15.979 8.435 19.713 286 HD2 LYS 34 HD2 LYS 34 -17.145 9.814 18.142 287 HD3 LYS 34 HD3 LYS 34 -17.544 8.125 17.804 288 HE2 LYS 34 HE2 LYS 34 -19.712 8.396 18.992 289 HE3 LYS 34 HE3 LYS 34 -19.292 10.065 19.396 290 HZ1 LYS 34 HZ1 LYS 34 -19.273 10.565 17.016 291 HZ2 LYS 34 HZ2 LYS 34 -19.657 9.020 16.641 292 HZ3 LYS 34 HZ3 LYS 34 -20.725 9.956 17.447 293 H GLY 35 H GLY 35 -16.022 5.084 23.378 294 HA2 GLY 35 HA2 GLY 35 -18.313 3.868 24.533 295 HA3 GLY 35 HA3 GLY 35 -17.863 2.929 23.124 296 H CYS 36 H CYS 36 -17.816 1.467 25.048 297 HA CYS 36 HA CYS 36 -15.823 1.344 27.036 298 HB2 CYS 36 HB2 CYS 36 -17.875 0.165 27.093 299 HB3 CYS 36 HB3 CYS 36 -17.508 -0.701 25.602 300 H TRP 37 H TRP 37 -13.764 0.605 27.119 301 HA TRP 37 HA TRP 37 -12.390 -0.264 24.673 302 HB2 TRP 37 HB2 TRP 37 -11.353 -0.092 27.518 303 HB3 TRP 37 HB3 TRP 37 -10.412 -0.212 26.036 304 HD1 TRP 37 HD1 TRP 37 -11.532 2.076 24.299 305 HE1 TRP 37 HE1 TRP 37 -11.099 4.535 24.930 306 HE3 TRP 37 HE3 TRP 37 -10.675 1.519 29.317 307 HZ2 TRP 37 HZ2 TRP 37 -10.666 6.058 27.297 308 HZ3 TRP 37 HZ3 TRP 37 -10.341 3.512 30.758 309 HH2 TRP 37 HH2 TRP 37 -10.373 5.792 29.763 310 H LYS 38 H LYS 38 -14.143 -1.927 27.122 311 HA LYS 38 HA LYS 38 -12.459 -4.373 26.964 312 HB2 LYS 38 HB2 LYS 38 -13.030 -3.303 29.111 313 HB3 LYS 38 HB3 LYS 38 -14.731 -3.670 28.882 314 HG2 LYS 38 HG2 LYS 38 -14.156 -6.114 28.825 315 HG3 LYS 38 HG3 LYS 38 -12.448 -5.687 29.072 316 HD2 LYS 38 HD2 LYS 38 -13.164 -4.485 31.202 317 HD3 LYS 38 HD3 LYS 38 -14.772 -5.186 30.995 318 HE2 LYS 38 HE2 LYS 38 -12.149 -6.736 31.284 319 HE3 LYS 38 HE3 LYS 38 -13.302 -6.441 32.587 320 HZ1 LYS 38 HZ1 LYS 38 -13.894 -8.009 30.140 321 HZ2 LYS 38 HZ2 LYS 38 -13.616 -8.629 31.626 322 HZ3 LYS 38 HZ3 LYS 38 -14.953 -7.731 31.364 323 H CYS 39 H CYS 39 -15.748 -3.320 26.094 324 HA CYS 39 HA CYS 39 -15.968 -5.899 24.528 325 HB2 CYS 39 HB2 CYS 39 -18.249 -5.954 24.681 326 HB3 CYS 39 HB3 CYS 39 -17.712 -5.631 26.324 327 H GLY 40 H GLY 40 -16.054 -2.413 24.241 328 HA2 GLY 40 HA2 GLY 40 -15.495 -1.348 22.188 329 HA3 GLY 40 HA3 GLY 40 -16.217 -2.684 21.277 330 H LYS 41 H LYS 41 -18.673 -2.343 23.308 331 HA LYS 41 HA LYS 41 -20.105 -0.625 21.443 332 HB2 LYS 41 HB2 LYS 41 -20.920 -2.281 23.839 333 HB3 LYS 41 HB3 LYS 41 -22.041 -1.159 23.066 334 HG2 LYS 41 HG2 LYS 41 -21.565 -2.284 20.849 335 HG3 LYS 41 HG3 LYS 41 -20.581 -3.467 21.712 336 HD2 LYS 41 HD2 LYS 41 -22.814 -4.352 21.278 337 HD3 LYS 41 HD3 LYS 41 -22.509 -4.197 23.006 338 HE2 LYS 41 HE2 LYS 41 -24.812 -3.546 22.398 339 HE3 LYS 41 HE3 LYS 41 -23.929 -2.236 23.176 340 HZ1 LYS 41 HZ1 LYS 41 -25.227 -1.556 21.191 341 HZ2 LYS 41 HZ2 LYS 41 -23.658 -1.151 21.064 342 HZ3 LYS 41 HZ3 LYS 41 -24.249 -2.446 20.232 343 H GLU 42 H GLU 42 -21.657 0.939 22.077 344 HA GLU 42 HA GLU 42 -20.275 3.202 23.307 345 HB2 GLU 42 HB2 GLU 42 -22.054 4.511 22.276 346 HB3 GLU 42 HB3 GLU 42 -21.269 3.461 21.117 347 HG2 GLU 42 HG2 GLU 42 -23.889 2.639 22.440 348 HG3 GLU 42 HG3 GLU 42 -23.857 3.743 21.077 349 H GLY 43 H GLY 43 -21.614 4.839 24.515 350 HA2 GLY 43 HA2 GLY 43 -23.133 5.573 26.054 351 HA3 GLY 43 HA3 GLY 43 -23.996 4.031 25.894 352 H HIS 44 H HIS 44 -20.797 3.423 26.931 353 HA HIS 44 HA HIS 44 -21.319 3.784 29.786 354 HB2 HIS 44 HB2 HIS 44 -21.458 1.446 30.352 355 HB3 HIS 44 HB3 HIS 44 -22.691 1.779 29.161 356 HD1 HIS 44 HD1 HIS 44 -21.953 0.917 26.532 357 HD2 HIS 44 HD2 HIS 44 -19.768 -0.449 29.847 358 HE1 HIS 44 HE1 HIS 44 -20.624 -1.117 25.744 359 H GLN 45 H GLN 45 -19.596 2.884 31.167 360 HA GLN 45 HA GLN 45 -16.882 3.004 29.911 361 HB2 GLN 45 HB2 GLN 45 -17.862 3.536 32.756 362 HB3 GLN 45 HB3 GLN 45 -16.164 3.394 32.314 363 HG2 GLN 45 HG2 GLN 45 -16.430 5.321 30.729 364 HG3 GLN 45 HG3 GLN 45 -18.095 5.507 31.267 365 HE21 GLN 45 HE22 GLN 45 -16.393 7.751 31.573 366 HE22 GLN 45 HE21 GLN 45 -16.053 7.906 33.280 367 H MET 46 H MET 46 -15.332 1.373 30.537 368 HA MET 46 HA MET 46 -16.493 -1.177 30.588 369 HB2 MET 46 HB2 MET 46 -14.248 -2.028 30.604 370 HB3 MET 46 HB3 MET 46 -14.448 -0.736 29.426 371 HG2 MET 46 HG2 MET 46 -13.220 0.812 30.816 372 HG3 MET 46 HG3 MET 46 -13.233 -0.330 32.163 373 HE1 MET 46 HE1 MET 46 -10.644 -0.403 32.659 374 HE2 MET 46 HE2 MET 46 -9.456 -0.272 31.354 375 HE3 MET 46 HE3 MET 46 -10.667 1.008 31.582 376 H LYS 47 H LYS 47 -15.889 0.698 33.405 377 HA LYS 47 HA LYS 47 -15.843 -1.648 35.192 378 HB2 LYS 47 HB2 LYS 47 -16.133 0.043 37.008 379 HB3 LYS 47 HB3 LYS 47 -14.662 0.159 36.086 380 HG2 LYS 47 HG2 LYS 47 -15.394 2.086 34.899 381 HG3 LYS 47 HG3 LYS 47 -17.066 1.927 35.500 382 HD2 LYS 47 HD2 LYS 47 -16.238 2.368 37.804 383 HD3 LYS 47 HD3 LYS 47 -14.590 2.540 37.176 384 HE2 LYS 47 HE2 LYS 47 -15.531 4.372 35.636 385 HE3 LYS 47 HE3 LYS 47 -17.023 4.281 36.569 386 HZ1 LYS 47 HZ1 LYS 47 -14.340 5.005 37.626 387 HZ2 LYS 47 HZ2 LYS 47 -15.608 6.017 37.431 388 HZ3 LYS 47 HZ3 LYS 47 -15.683 4.839 38.562 389 H ASP 48 H ASP 48 -18.310 0.280 33.655 390 HA ASP 48 HA ASP 48 -20.480 -0.721 35.413 391 HB2 ASP 48 HB2 ASP 48 -20.584 1.530 34.337 392 HB3 ASP 48 HB3 ASP 48 -20.572 0.755 32.752 393 H CYS 49 H CYS 49 -18.749 -1.554 32.516 394 HA CYS 49 HA CYS 49 -20.478 -3.673 31.551 395 HB2 CYS 49 HB2 CYS 49 -18.702 -2.253 30.334 396 HB3 CYS 49 HB3 CYS 49 -17.520 -3.364 31.014 397 H THR 50 H THR 50 -19.347 -5.848 31.155 398 HA THR 50 HA THR 50 -18.056 -7.029 33.560 399 HB THR 50 HB THR 50 -19.710 -8.926 33.525 400 HG1 THR 50 HG1 THR 50 -21.780 -8.378 32.650 401 HG21 THR 50 HG21 THR 50 -20.937 -6.232 34.260 402 HG22 THR 50 HG22 THR 50 -21.363 -7.826 34.917 403 HG23 THR 50 HG23 THR 50 -19.772 -7.127 35.261 404 H GLU 51 H GLU 51 -19.670 -8.561 30.837 405 HA GLU 51 HA GLU 51 -17.047 -9.544 29.787 406 HB2 GLU 51 HB2 GLU 51 -18.095 -11.642 29.254 407 HB3 GLU 51 HB3 GLU 51 -18.318 -11.280 30.967 408 HG2 GLU 51 HG2 GLU 51 -20.657 -10.525 30.486 409 HG3 GLU 51 HG3 GLU 51 -20.430 -10.964 28.790 410 H ARG 52 H ARG 52 -17.024 -10.103 27.483 411 HA ARG 52 HA ARG 52 -17.800 -7.905 25.951 412 HB2 ARG 52 HB2 ARG 52 -16.977 -9.066 24.012 413 HB3 ARG 52 HB3 ARG 52 -15.894 -9.264 25.384 414 HG2 ARG 52 HG2 ARG 52 -16.803 -11.560 25.768 415 HG3 ARG 52 HG3 ARG 52 -17.856 -11.377 24.358 416 HD2 ARG 52 HD2 ARG 52 -14.817 -11.231 24.302 417 HD3 ARG 52 HD3 ARG 52 -15.778 -12.660 23.885 418 HE ARG 52 HE ARG 52 -16.834 -10.701 22.255 419 HH11 ARG 52 HH21 ARG 52 -13.562 -12.034 22.583 420 HH12 ARG 52 HH22 ARG 52 -13.156 -11.610 20.945 421 HH21 ARG 52 HH11 ARG 52 -16.269 -10.196 20.259 422 HH22 ARG 52 HH12 ARG 52 -14.715 -10.626 19.593 423 H GLN 53 H GLN 53 -19.393 -7.349 24.628 424 HA GLN 53 HA GLN 53 -21.926 -8.855 24.840 425 HB2 GLN 53 HB2 GLN 53 -21.259 -6.025 23.921 426 HB3 GLN 53 HB3 GLN 53 -22.891 -6.695 24.057 427 HG2 GLN 53 HG2 GLN 53 -22.460 -7.130 26.506 428 HG3 GLN 53 HG3 GLN 53 -20.929 -6.262 26.349 429 HE21 GLN 53 HE22 GLN 53 -21.045 -3.919 25.667 430 HE22 GLN 53 HE21 GLN 53 -22.511 -3.034 26.105 431 H ALA 54 H ALA 54 -19.497 -8.704 22.462 432 HA ALA 54 HA ALA 54 -21.300 -9.825 20.426 433 HB1 ALA 54 HB1 ALA 54 -21.389 -7.383 20.009 434 HB2 ALA 54 HB2 ALA 54 -19.614 -7.323 19.931 435 HB3 ALA 54 HB3 ALA 54 -20.532 -8.219 18.702 436 H ASN 55 H ASN 55 -20.200 -10.853 18.696 437 HA ASN 55 HA ASN 55 -17.581 -12.032 19.415 438 HB2 ASN 55 HB2 ASN 55 -19.688 -13.364 18.766 439 HB3 ASN 55 HB3 ASN 55 -19.409 -12.795 17.120 440 HD21 ASN 55 HD22 ASN 55 -16.387 -13.048 17.436 441 HD22 ASN 55 HD21 ASN 55 -16.128 -14.797 17.360 442 H9 1HF 103 H9 1HF 58 -9.716 4.158 36.029 443 H12 1HF 103 H12 1HF 58 -8.936 6.329 31.367 444 H4 1HF 103 H4 1HF 58 -5.927 -2.634 33.928 445 H6 1HF 103 H6 1HF 58 -2.541 -4.930 32.524 446 H7 1HF 103 H7 1HF 58 -2.450 -3.545 30.446 447 H1 1HF 103 H1 1HF 58 -3.683 -1.484 29.193 448 H8 1HF 103 H8 1HF 58 -8.110 -0.284 35.915 449 H11 1HF 103 H11 1HF 58 -10.043 8.005 33.230 450 H10 1HF 103 H10 1HF 58 -10.270 6.427 35.487 451 H9 1HF 104 H9 1HF 59 -12.012 2.136 36.855 452 H12 1HF 104 H12 1HF 59 -12.785 -2.089 33.910 453 H4 1HF 104 H4 1HF 59 -14.102 6.908 30.676 454 H6 1HF 104 H6 1HF 59 -14.166 8.610 26.704 455 H7 1HF 104 H7 1HF 59 -13.798 6.347 25.716 456 H1 1HF 104 H1 1HF 59 -14.080 3.654 26.394 457 H8 1HF 104 H8 1HF 59 -13.211 5.885 34.204 458 H11 1HF 104 H11 1HF 59 -12.063 -2.631 36.516 459 H10 1HF 104 H10 1HF 59 -11.712 -0.116 37.633 Start of MODEL 6 1 H1 ILE 1 H1 ILE 1 -8.281 -14.768 17.249 2 H2 ILE 1 H2 ILE 1 -8.722 -13.383 16.488 3 H3 ILE 1 H3 ILE 1 -9.504 -13.855 17.837 4 HA ILE 1 HA ILE 1 -7.589 -13.529 19.198 5 HB ILE 1 HB ILE 1 -5.967 -14.149 17.438 6 HG12 ILE 1 HG13 ILE 1 -5.280 -11.535 18.712 7 HG13 ILE 1 HG12 ILE 1 -5.333 -13.067 19.639 8 HG21 ILE 1 HG21 ILE 1 -6.183 -11.275 16.428 9 HG22 ILE 1 HG22 ILE 1 -5.070 -12.529 15.860 10 HG23 ILE 1 HG23 ILE 1 -6.792 -12.706 15.565 11 HD11 ILE 1 HD11 ILE 1 -3.045 -12.570 19.131 12 HD12 ILE 1 HD12 ILE 1 -3.543 -13.984 18.180 13 HD13 ILE 1 HD13 ILE 1 -3.386 -12.388 17.405 14 H GLN 2 H GLN 2 -7.203 -11.485 20.256 15 HA GLN 2 HA GLN 2 -8.082 -9.001 19.046 16 HB2 GLN 2 HB2 GLN 2 -9.848 -8.484 20.620 17 HB3 GLN 2 HB3 GLN 2 -10.259 -9.942 19.723 18 HG2 GLN 2 HG2 GLN 2 -9.514 -11.319 21.709 19 HG3 GLN 2 HG3 GLN 2 -9.205 -9.821 22.588 20 HE21 GLN 2 HE22 GLN 2 -10.782 -10.883 24.136 21 HE22 GLN 2 HE21 GLN 2 -12.502 -10.630 23.826 22 H LYS 3 H LYS 3 -7.730 -7.151 20.550 23 HA LYS 3 HA LYS 3 -5.146 -7.334 21.722 24 HB2 LYS 3 HB2 LYS 3 -5.425 -4.984 22.220 25 HB3 LYS 3 HB3 LYS 3 -6.107 -5.324 20.630 26 HG2 LYS 3 HG2 LYS 3 -8.405 -5.424 21.704 27 HG3 LYS 3 HG3 LYS 3 -7.652 -4.950 23.236 28 HD2 LYS 3 HD2 LYS 3 -6.879 -2.819 22.185 29 HD3 LYS 3 HD3 LYS 3 -7.616 -3.330 20.657 30 HE2 LYS 3 HE2 LYS 3 -9.213 -1.877 21.650 31 HE3 LYS 3 HE3 LYS 3 -9.839 -3.515 21.869 32 HZ1 LYS 3 HZ1 LYS 3 -10.063 -2.333 23.922 33 HZ2 LYS 3 HZ2 LYS 3 -8.874 -3.415 24.176 34 HZ3 LYS 3 HZ3 LYS 3 -8.519 -1.819 23.909 35 H GLY 4 H GLY 4 -4.459 -6.746 23.868 36 HA2 GLY 4 HA2 GLY 4 -4.550 -6.586 26.178 37 HA3 GLY 4 HA3 GLY 4 -6.299 -6.914 26.139 38 H ASN 5 H ASN 5 -4.811 -9.366 24.417 39 HA ASN 5 HA ASN 5 -4.950 -11.231 26.707 40 HB2 ASN 5 HB2 ASN 5 -5.321 -12.926 25.125 41 HB3 ASN 5 HB3 ASN 5 -6.302 -11.571 24.592 42 HD21 ASN 5 HD22 ASN 5 -5.564 -13.741 22.894 43 HD22 ASN 5 HD21 ASN 5 -4.462 -13.124 21.672 44 H PHE 6 H PHE 6 -2.513 -9.426 25.617 45 HA PHE 6 HA PHE 6 -0.433 -11.394 25.048 46 HB2 PHE 6 HB2 PHE 6 -0.069 -8.437 25.617 47 HB3 PHE 6 HB3 PHE 6 0.948 -9.490 24.656 48 HD1 PHE 6 HD1 PHE 6 -0.017 -10.422 22.429 49 HD2 PHE 6 HD2 PHE 6 -1.749 -7.122 24.596 50 HE1 PHE 6 HE1 PHE 6 -1.132 -9.639 20.354 51 HE2 PHE 6 HE2 PHE 6 -2.820 -6.311 22.504 52 HZ PHE 6 HZ PHE 6 -2.529 -7.581 20.385 53 H ARG 7 H ARG 7 1.762 -10.270 26.390 54 HA ARG 7 HA ARG 7 1.561 -11.298 29.107 55 HB2 ARG 7 HB2 ARG 7 3.817 -9.712 27.821 56 HB3 ARG 7 HB3 ARG 7 3.897 -10.681 29.293 57 HG2 ARG 7 HG2 ARG 7 3.492 -11.745 26.471 58 HG3 ARG 7 HG3 ARG 7 4.954 -11.845 27.451 59 HD2 ARG 7 HD2 ARG 7 3.730 -13.239 29.120 60 HD3 ARG 7 HD3 ARG 7 2.294 -13.190 28.074 61 HE ARG 7 HE ARG 7 4.531 -14.089 26.554 62 HH11 ARG 7 HH11 ARG 7 2.376 -15.314 29.082 63 HH12 ARG 7 HH12 ARG 7 2.609 -16.968 28.602 64 HH21 ARG 7 HH21 ARG 7 4.785 -16.242 25.990 65 HH22 ARG 7 HH22 ARG 7 3.953 -17.483 26.878 66 H ASN 8 H ASN 8 0.195 -8.619 28.053 67 HA ASN 8 HA ASN 8 1.169 -6.471 29.579 68 HB2 ASN 8 HB2 ASN 8 -0.827 -5.314 28.801 69 HB3 ASN 8 HB3 ASN 8 -0.062 -6.228 27.509 70 HD21 ASN 8 HD22 ASN 8 -2.877 -6.222 29.769 71 HD22 ASN 8 HD21 ASN 8 -3.826 -7.322 28.774 72 H GLN 9 H GLN 9 -0.051 -9.048 31.109 73 HA GLN 9 HA GLN 9 -1.104 -7.380 33.368 74 HB2 GLN 9 HB2 GLN 9 -1.950 -10.228 32.674 75 HB3 GLN 9 HB3 GLN 9 -2.519 -9.247 34.029 76 HG2 GLN 9 HG2 GLN 9 -3.398 -7.571 32.305 77 HG3 GLN 9 HG3 GLN 9 -3.068 -8.794 31.072 78 HE21 GLN 9 HE22 GLN 9 -5.148 -7.906 33.796 79 HE22 GLN 9 HE21 GLN 9 -6.303 -9.224 33.556 80 H ARG 10 H ARG 10 1.605 -8.990 32.379 81 HA ARG 10 HA ARG 10 2.356 -9.827 35.126 82 HB2 ARG 10 HB2 ARG 10 1.467 -11.798 33.980 83 HB3 ARG 10 HB3 ARG 10 2.550 -11.534 32.608 84 HG2 ARG 10 HG2 ARG 10 4.510 -11.885 34.081 85 HG3 ARG 10 HG3 ARG 10 3.434 -12.071 35.481 86 HD2 ARG 10 HD2 ARG 10 2.423 -14.073 34.444 87 HD3 ARG 10 HD3 ARG 10 3.466 -13.871 33.019 88 HE ARG 10 HE ARG 10 5.120 -13.971 35.321 89 HH11 ARG 10 HH21 ARG 10 3.047 -16.201 33.519 90 HH12 ARG 10 HH22 ARG 10 3.978 -17.591 33.991 91 HH21 ARG 10 HH11 ARG 10 6.275 -15.805 35.892 92 HH22 ARG 10 HH12 ARG 10 5.778 -17.367 35.318 93 H LYS 11 H LYS 11 3.853 -9.958 31.834 94 HA LYS 11 HA LYS 11 6.406 -9.027 33.017 95 HB2 LYS 11 HB2 LYS 11 5.791 -9.879 30.159 96 HB3 LYS 11 HB3 LYS 11 7.375 -9.616 30.877 97 HG2 LYS 11 HG2 LYS 11 6.940 -11.495 32.490 98 HG3 LYS 11 HG3 LYS 11 5.391 -11.788 31.691 99 HD2 LYS 11 HD2 LYS 11 6.963 -13.382 30.856 100 HD3 LYS 11 HD3 LYS 11 6.586 -12.247 29.551 101 HE2 LYS 11 HE2 LYS 11 8.709 -11.028 29.993 102 HE3 LYS 11 HE3 LYS 11 9.058 -12.108 31.349 103 HZ1 LYS 11 HZ1 LYS 11 10.234 -12.790 29.348 104 HZ2 LYS 11 HZ2 LYS 11 9.166 -13.952 29.765 105 HZ3 LYS 11 HZ3 LYS 11 8.843 -12.951 28.510 106 H THR 12 H THR 12 3.888 -7.740 30.952 107 HA THR 12 HA THR 12 5.235 -5.072 30.807 108 HB THR 12 HB THR 12 4.267 -4.854 28.489 109 HG1 THR 12 HG1 THR 12 3.652 -6.784 27.468 110 HG21 THR 12 HG21 THR 12 6.652 -5.459 28.821 111 HG22 THR 12 HG22 THR 12 6.208 -7.182 28.716 112 HG23 THR 12 HG23 THR 12 5.956 -6.103 27.328 113 H VAL 13 H VAL 13 3.408 -3.536 29.795 114 HA VAL 13 HA VAL 13 0.697 -4.201 30.603 115 HB VAL 13 HB VAL 13 1.745 -3.104 32.639 116 HG11 VAL 13 HG11 VAL 13 1.616 -0.554 30.986 117 HG12 VAL 13 HG12 VAL 13 2.042 -0.702 32.699 118 HG13 VAL 13 HG13 VAL 13 3.117 -1.381 31.464 119 HG21 VAL 13 HG21 VAL 13 -0.665 -3.223 32.312 120 HG22 VAL 13 HG22 VAL 13 -0.208 -1.711 33.106 121 HG23 VAL 13 HG23 VAL 13 -0.641 -1.705 31.381 122 H LYS 14 H LYS 14 -0.829 -3.112 29.325 123 HA LYS 14 HA LYS 14 0.175 -1.356 27.155 124 HB2 LYS 14 HB2 LYS 14 0.543 -3.813 26.677 125 HB3 LYS 14 HB3 LYS 14 -1.204 -4.043 26.727 126 HG2 LYS 14 HG2 LYS 14 -1.539 -2.674 24.767 127 HG3 LYS 14 HG3 LYS 14 0.157 -2.147 24.790 128 HD2 LYS 14 HD2 LYS 14 0.908 -4.479 24.427 129 HD3 LYS 14 HD3 LYS 14 -0.774 -5.023 24.388 130 HE2 LYS 14 HE2 LYS 14 -1.223 -3.881 22.343 131 HE3 LYS 14 HE3 LYS 14 0.222 -2.876 22.495 132 HZ1 LYS 14 HZ1 LYS 14 0.481 -4.684 20.871 133 HZ2 LYS 14 HZ2 LYS 14 1.610 -4.701 22.048 134 HZ3 LYS 14 HZ3 LYS 14 0.372 -5.800 22.068 135 H CYS 15 H CYS 15 -1.233 0.152 26.560 136 HA CYS 15 HA CYS 15 -3.578 0.637 28.055 137 HB2 CYS 15 HB2 CYS 15 -2.208 2.323 27.127 138 HB3 CYS 15 HB3 CYS 15 -2.521 1.785 25.474 139 H PHE 16 H PHE 16 -5.711 0.355 27.768 140 HA PHE 16 HA PHE 16 -6.657 -1.426 25.635 141 HB2 PHE 16 HB2 PHE 16 -8.166 0.032 27.830 142 HB3 PHE 16 HB3 PHE 16 -8.809 -1.239 26.800 143 HD1 PHE 16 HD2 PHE 16 -5.874 -2.841 27.248 144 HD2 PHE 16 HD1 PHE 16 -9.106 -1.307 29.654 145 HE1 PHE 16 HE2 PHE 16 -5.394 -4.528 28.997 146 HE2 PHE 16 HE1 PHE 16 -8.652 -3.034 31.372 147 HZ PHE 16 HZ PHE 16 -6.788 -4.653 31.041 148 H ASN 17 H ASN 17 -6.494 2.058 26.093 149 HA ASN 17 HA ASN 17 -8.736 2.623 24.278 150 HB2 ASN 17 HB2 ASN 17 -8.338 4.069 26.227 151 HB3 ASN 17 HB3 ASN 17 -6.730 4.463 25.642 152 HD21 ASN 17 HD21 ASN 17 -7.172 6.746 25.444 153 HD22 ASN 17 HD22 ASN 17 -8.207 7.331 24.152 154 H CYS 18 H CYS 18 -5.216 3.495 24.197 155 HA CYS 18 HA CYS 18 -5.469 3.913 21.258 156 HB2 CYS 18 HB2 CYS 18 -3.540 5.159 21.307 157 HB3 CYS 18 HB3 CYS 18 -4.439 5.659 22.728 158 H GLY 19 H GLY 19 -4.255 1.498 23.381 159 HA2 GLY 19 HA2 GLY 19 -3.779 -0.695 22.698 160 HA3 GLY 19 HA3 GLY 19 -3.413 -0.125 21.059 161 H LYS 20 H LYS 20 -1.606 1.905 22.980 162 HA LYS 20 HA LYS 20 0.803 0.372 22.276 163 HB2 LYS 20 HB2 LYS 20 0.253 3.219 23.135 164 HB3 LYS 20 HB3 LYS 20 1.888 2.584 23.079 165 HG2 LYS 20 HG2 LYS 20 1.389 3.815 21.075 166 HG3 LYS 20 HG3 LYS 20 1.699 2.119 20.694 167 HD2 LYS 20 HD2 LYS 20 -0.672 1.711 20.325 168 HD3 LYS 20 HD3 LYS 20 -1.084 3.326 20.948 169 HE2 LYS 20 HE2 LYS 20 0.105 4.367 19.057 170 HE3 LYS 20 HE3 LYS 20 0.562 2.770 18.443 171 HZ1 LYS 20 HZ1 LYS 20 -2.238 3.705 18.767 172 HZ2 LYS 20 HZ2 LYS 20 -1.434 3.658 17.339 173 HZ3 LYS 20 HZ3 LYS 20 -1.788 2.273 18.137 174 H GLU 21 H GLU 21 2.473 -0.258 23.550 175 HA GLU 21 HA GLU 21 2.145 -1.177 26.150 176 HB2 GLU 21 HB2 GLU 21 4.564 -0.696 24.428 177 HB3 GLU 21 HB3 GLU 21 4.574 -1.514 25.996 178 HG2 GLU 21 HG2 GLU 21 4.160 -3.301 24.801 179 HG3 GLU 21 HG3 GLU 21 2.519 -2.878 25.026 180 H GLY 22 H GLY 22 3.542 -0.770 27.966 181 HA2 GLY 22 HA2 GLY 22 4.831 0.413 29.468 182 HA3 GLY 22 HA3 GLY 22 4.936 1.757 28.306 183 H HIS 23 H HIS 23 1.668 1.094 28.849 184 HA HIS 23 HA HIS 23 1.316 2.606 31.290 185 HB2 HIS 23 HB2 HIS 23 0.484 4.666 30.377 186 HB3 HIS 23 HB3 HIS 23 2.024 4.380 29.619 187 HD1 HIS 23 HD1 HIS 23 1.868 3.509 26.970 188 HD2 HIS 23 HD2 HIS 23 -1.691 4.765 28.826 189 HE1 HIS 23 HE1 HIS 23 0.194 3.995 25.106 190 H ILE 24 H ILE 24 -1.057 3.441 31.375 191 HA ILE 24 HA ILE 24 -3.003 1.421 30.380 192 HB ILE 24 HB ILE 24 -4.140 1.529 32.572 193 HG12 ILE 24 HG12 ILE 24 -1.708 3.087 33.598 194 HG13 ILE 24 HG13 ILE 24 -3.323 3.745 33.340 195 HG21 ILE 24 HG21 ILE 24 -1.254 0.654 32.972 196 HG22 ILE 24 HG22 ILE 24 -2.719 -0.025 33.717 197 HG23 ILE 24 HG23 ILE 24 -2.426 -0.241 31.991 198 HD11 ILE 24 HD11 ILE 24 -2.592 1.611 35.370 199 HD12 ILE 24 HD12 ILE 24 -3.054 3.290 35.680 200 HD13 ILE 24 HD13 ILE 24 -4.251 2.157 35.018 201 H ALA 25 H ALA 25 -5.212 2.276 30.192 202 HA ALA 25 HA ALA 25 -5.299 4.767 28.997 203 HB1 ALA 25 HB1 ALA 25 -7.602 3.225 30.296 204 HB2 ALA 25 HB2 ALA 25 -7.757 4.450 29.023 205 HB3 ALA 25 HB3 ALA 25 -6.932 2.919 28.673 206 H LYS 26 H LYS 26 -5.701 4.165 32.439 207 HA LYS 26 HA LYS 26 -6.813 6.700 33.227 208 HB2 LYS 26 HB2 LYS 26 -6.578 4.469 34.515 209 HB3 LYS 26 HB3 LYS 26 -4.914 4.949 34.842 210 HG2 LYS 26 HG2 LYS 26 -5.743 7.001 35.986 211 HG3 LYS 26 HG3 LYS 26 -7.410 6.541 35.591 212 HD2 LYS 26 HD2 LYS 26 -7.047 4.388 36.885 213 HD3 LYS 26 HD3 LYS 26 -5.461 5.016 37.375 214 HE2 LYS 26 HE2 LYS 26 -6.611 7.012 38.380 215 HE3 LYS 26 HE3 LYS 26 -8.175 6.314 37.928 216 HZ1 LYS 26 HZ1 LYS 26 -7.672 4.422 39.378 217 HZ2 LYS 26 HZ2 LYS 26 -6.228 5.071 39.796 218 HZ3 LYS 26 HZ3 LYS 26 -7.614 5.815 40.231 219 H ASN 27 H ASN 27 -3.559 5.662 32.497 220 HA ASN 27 HA ASN 27 -2.267 8.176 33.383 221 HB2 ASN 27 HB2 ASN 27 -1.463 5.834 33.942 222 HB3 ASN 27 HB3 ASN 27 -1.135 5.604 32.229 223 HD21 ASN 27 HD22 ASN 27 1.010 5.075 33.343 224 HD22 ASN 27 HD21 ASN 27 2.123 6.408 33.533 225 H CYS 28 H CYS 28 -3.292 6.489 30.482 226 HA CYS 28 HA CYS 28 -1.811 7.570 28.427 227 HB2 CYS 28 HB2 CYS 28 -3.559 5.819 28.281 228 HB3 CYS 28 HB3 CYS 28 -4.805 7.066 28.411 229 H ARG 29 H ARG 29 -1.975 9.236 26.981 230 HA ARG 29 HA ARG 29 -3.477 11.704 27.784 231 HB2 ARG 29 HB2 ARG 29 -0.859 11.468 26.252 232 HB3 ARG 29 HB3 ARG 29 -1.664 12.969 26.683 233 HG2 ARG 29 HG2 ARG 29 -0.443 11.004 28.677 234 HG3 ARG 29 HG3 ARG 29 0.302 12.469 28.066 235 HD2 ARG 29 HD2 ARG 29 -0.491 13.039 30.186 236 HD3 ARG 29 HD3 ARG 29 -1.623 13.798 29.055 237 HE ARG 29 HE ARG 29 -2.745 11.319 29.644 238 HH11 ARG 29 HH21 ARG 29 -1.862 14.071 31.689 239 HH12 ARG 29 HH22 ARG 29 -3.061 13.656 32.878 240 HH21 ARG 29 HH11 ARG 29 -4.218 10.867 31.118 241 HH22 ARG 29 HH12 ARG 29 -4.399 11.831 32.568 242 H ALA 30 H ALA 30 -3.664 9.237 25.534 243 HA ALA 30 HA ALA 30 -4.118 10.786 23.107 244 HB1 ALA 30 HB1 ALA 30 -3.345 8.398 23.146 245 HB2 ALA 30 HB2 ALA 30 -4.920 7.929 23.827 246 HB3 ALA 30 HB3 ALA 30 -4.827 8.604 22.200 247 HA PRO 31 HA PRO 31 -8.397 11.890 23.747 248 HB2 PRO 31 HB2 PRO 31 -9.570 11.507 21.281 249 HB3 PRO 31 HB3 PRO 31 -8.475 12.868 21.673 250 HG2 PRO 31 HG2 PRO 31 -7.773 10.241 20.328 251 HG3 PRO 31 HG3 PRO 31 -7.329 11.901 19.814 252 HD2 PRO 31 HD2 PRO 31 -5.599 10.369 21.203 253 HD3 PRO 31 HD3 PRO 31 -5.741 12.112 21.564 254 H ARG 32 H ARG 32 -10.323 10.970 24.323 255 HA ARG 32 HA ARG 32 -10.381 7.991 24.436 256 HB2 ARG 32 HB2 ARG 32 -11.727 10.075 26.167 257 HB3 ARG 32 HB3 ARG 32 -11.845 8.317 26.325 258 HG2 ARG 32 HG2 ARG 32 -9.419 8.137 26.694 259 HG3 ARG 32 HG3 ARG 32 -9.249 9.895 26.573 260 HD2 ARG 32 HD2 ARG 32 -10.578 10.254 28.539 261 HD3 ARG 32 HD3 ARG 32 -11.045 8.551 28.631 262 HE ARG 32 HE ARG 32 -8.318 8.405 28.753 263 HH11 ARG 32 HH21 ARG 32 -10.701 10.157 30.699 264 HH12 ARG 32 HH22 ARG 32 -9.596 10.351 32.034 265 HH21 ARG 32 HH11 ARG 32 -7.068 8.408 30.616 266 HH22 ARG 32 HH12 ARG 32 -7.564 9.363 31.987 267 H LYS 33 H LYS 33 -11.904 6.814 23.701 268 HA LYS 33 HA LYS 33 -13.430 7.689 21.479 269 HB2 LYS 33 HB2 LYS 33 -13.460 5.043 23.003 270 HB3 LYS 33 HB3 LYS 33 -14.126 5.288 21.383 271 HG2 LYS 33 HG2 LYS 33 -11.896 5.903 20.520 272 HG3 LYS 33 HG3 LYS 33 -11.202 5.698 22.130 273 HD2 LYS 33 HD2 LYS 33 -11.918 3.292 22.096 274 HD3 LYS 33 HD3 LYS 33 -12.451 3.519 20.413 275 HE2 LYS 33 HE2 LYS 33 -10.148 4.248 19.794 276 HE3 LYS 33 HE3 LYS 33 -9.631 4.053 21.473 277 HZ1 LYS 33 HZ1 LYS 33 -10.142 1.677 21.275 278 HZ2 LYS 33 HZ2 LYS 33 -10.557 1.863 19.697 279 HZ3 LYS 33 HZ3 LYS 33 -9.016 2.133 20.189 280 H LYS 34 H LYS 34 -15.733 6.899 21.065 281 HA LYS 34 HA LYS 34 -17.557 8.092 23.046 282 HB2 LYS 34 HB2 LYS 34 -17.468 8.466 20.465 283 HB3 LYS 34 HB3 LYS 34 -18.329 6.928 20.351 284 HG2 LYS 34 HG2 LYS 34 -20.126 7.920 21.851 285 HG3 LYS 34 HG3 LYS 34 -19.240 9.444 21.841 286 HD2 LYS 34 HD2 LYS 34 -20.391 8.042 19.386 287 HD3 LYS 34 HD3 LYS 34 -21.149 9.385 20.253 288 HE2 LYS 34 HE2 LYS 34 -19.170 10.823 19.748 289 HE3 LYS 34 HE3 LYS 34 -18.450 9.494 18.829 290 HZ1 LYS 34 HZ1 LYS 34 -21.026 10.814 18.176 291 HZ2 LYS 34 HZ2 LYS 34 -19.620 11.035 17.377 292 HZ3 LYS 34 HZ3 LYS 34 -20.363 9.582 17.329 293 H GLY 35 H GLY 35 -16.285 5.538 23.756 294 HA2 GLY 35 HA2 GLY 35 -18.475 4.046 24.812 295 HA3 GLY 35 HA3 GLY 35 -17.943 3.270 23.334 296 H CYS 36 H CYS 36 -17.772 1.637 25.119 297 HA CYS 36 HA CYS 36 -15.778 1.586 27.123 298 HB2 CYS 36 HB2 CYS 36 -17.718 0.226 27.110 299 HB3 CYS 36 HB3 CYS 36 -17.265 -0.536 25.585 300 H TRP 37 H TRP 37 -13.648 1.034 27.167 301 HA TRP 37 HA TRP 37 -12.236 0.364 24.673 302 HB2 TRP 37 HB2 TRP 37 -11.204 0.454 27.523 303 HB3 TRP 37 HB3 TRP 37 -10.248 0.437 26.047 304 HD1 TRP 37 HD1 TRP 37 -11.506 2.720 24.381 305 HE1 TRP 37 HE1 TRP 37 -11.312 5.165 25.114 306 HE3 TRP 37 HE3 TRP 37 -10.641 2.011 29.373 307 HZ2 TRP 37 HZ2 TRP 37 -10.984 6.616 27.565 308 HZ3 TRP 37 HZ3 TRP 37 -10.462 3.945 30.902 309 HH2 TRP 37 HH2 TRP 37 -10.654 6.274 30.004 310 H LYS 38 H LYS 38 -13.682 -1.482 27.276 311 HA LYS 38 HA LYS 38 -11.862 -3.774 26.928 312 HB2 LYS 38 HB2 LYS 38 -12.542 -3.026 29.125 313 HB3 LYS 38 HB3 LYS 38 -14.240 -3.317 28.784 314 HG2 LYS 38 HG2 LYS 38 -13.889 -5.707 28.643 315 HG3 LYS 38 HG3 LYS 38 -12.136 -5.509 28.634 316 HD2 LYS 38 HD2 LYS 38 -12.960 -6.324 30.803 317 HD3 LYS 38 HD3 LYS 38 -12.073 -4.809 30.913 318 HE2 LYS 38 HE2 LYS 38 -13.997 -4.817 32.407 319 HE3 LYS 38 HE3 LYS 38 -14.142 -3.538 31.210 320 HZ1 LYS 38 HZ1 LYS 38 -15.454 -6.157 30.799 321 HZ2 LYS 38 HZ2 LYS 38 -16.171 -4.966 31.681 322 HZ3 LYS 38 HZ3 LYS 38 -15.836 -4.742 30.096 323 H CYS 39 H CYS 39 -15.183 -2.959 25.993 324 HA CYS 39 HA CYS 39 -15.145 -5.450 24.279 325 HB2 CYS 39 HB2 CYS 39 -17.352 -5.838 24.553 326 HB3 CYS 39 HB3 CYS 39 -16.831 -5.427 26.178 327 H GLY 40 H GLY 40 -15.600 -1.987 24.137 328 HA2 GLY 40 HA2 GLY 40 -15.274 -0.781 22.136 329 HA3 GLY 40 HA3 GLY 40 -15.762 -2.189 21.181 330 H LYS 41 H LYS 41 -18.262 -2.133 23.291 331 HA LYS 41 HA LYS 41 -19.926 -0.592 21.407 332 HB2 LYS 41 HB2 LYS 41 -20.642 -2.284 23.827 333 HB3 LYS 41 HB3 LYS 41 -21.805 -1.326 22.924 334 HG2 LYS 41 HG2 LYS 41 -22.113 -3.249 21.778 335 HG3 LYS 41 HG3 LYS 41 -20.792 -2.605 20.815 336 HD2 LYS 41 HD2 LYS 41 -20.238 -4.876 21.195 337 HD3 LYS 41 HD3 LYS 41 -19.215 -3.979 22.321 338 HE2 LYS 41 HE2 LYS 41 -21.137 -4.363 24.051 339 HE3 LYS 41 HE3 LYS 41 -21.769 -5.553 22.899 340 HZ1 LYS 41 HZ1 LYS 41 -19.117 -5.540 24.197 341 HZ2 LYS 41 HZ2 LYS 41 -20.292 -6.611 24.526 342 HZ3 LYS 41 HZ3 LYS 41 -19.553 -6.658 23.062 343 H GLU 42 H GLU 42 -21.454 0.984 21.996 344 HA GLU 42 HA GLU 42 -20.220 3.135 23.550 345 HB2 GLU 42 HB2 GLU 42 -21.909 4.542 22.537 346 HB3 GLU 42 HB3 GLU 42 -21.048 3.613 21.330 347 HG2 GLU 42 HG2 GLU 42 -23.723 2.610 22.365 348 HG3 GLU 42 HG3 GLU 42 -23.658 3.936 21.217 349 H GLY 43 H GLY 43 -21.823 4.658 24.711 350 HA2 GLY 43 HA2 GLY 43 -23.507 5.143 26.188 351 HA3 GLY 43 HA3 GLY 43 -24.157 3.506 25.955 352 H HIS 44 H HIS 44 -20.951 3.241 27.037 353 HA HIS 44 HA HIS 44 -21.522 3.486 29.893 354 HB2 HIS 44 HB2 HIS 44 -21.364 1.131 30.405 355 HB3 HIS 44 HB3 HIS 44 -22.647 1.351 29.241 356 HD1 HIS 44 HD1 HIS 44 -21.907 0.578 26.598 357 HD2 HIS 44 HD2 HIS 44 -19.448 -0.519 29.817 358 HE1 HIS 44 HE1 HIS 44 -20.438 -1.338 25.772 359 H GLN 45 H GLN 45 -19.717 2.902 31.274 360 HA GLN 45 HA GLN 45 -17.022 3.183 30.005 361 HB2 GLN 45 HB2 GLN 45 -18.002 3.639 32.864 362 HB3 GLN 45 HB3 GLN 45 -16.301 3.586 32.400 363 HG2 GLN 45 HG2 GLN 45 -16.705 5.482 30.801 364 HG3 GLN 45 HG3 GLN 45 -18.358 5.600 31.399 365 HE21 GLN 45 HE22 GLN 45 -16.717 7.856 31.576 366 HE22 GLN 45 HE21 GLN 45 -16.295 8.110 33.254 367 H MET 46 H MET 46 -15.408 1.642 30.533 368 HA MET 46 HA MET 46 -16.399 -0.955 30.463 369 HB2 MET 46 HB2 MET 46 -14.103 -1.650 30.398 370 HB3 MET 46 HB3 MET 46 -14.356 -0.240 29.379 371 HG2 MET 46 HG2 MET 46 -13.256 1.201 30.973 372 HG3 MET 46 HG3 MET 46 -13.218 -0.088 32.183 373 HE1 MET 46 HE1 MET 46 -10.738 1.509 31.707 374 HE2 MET 46 HE2 MET 46 -10.618 0.029 32.682 375 HE3 MET 46 HE3 MET 46 -9.445 0.333 31.391 376 H LYS 47 H LYS 47 -15.846 0.760 33.412 377 HA LYS 47 HA LYS 47 -15.565 -1.640 35.071 378 HB2 LYS 47 HB2 LYS 47 -16.168 -0.047 36.945 379 HB3 LYS 47 HB3 LYS 47 -14.678 0.237 36.096 380 HG2 LYS 47 HG2 LYS 47 -15.542 2.105 34.903 381 HG3 LYS 47 HG3 LYS 47 -17.215 1.770 35.424 382 HD2 LYS 47 HD2 LYS 47 -16.554 2.269 37.760 383 HD3 LYS 47 HD3 LYS 47 -14.887 2.573 37.232 384 HE2 LYS 47 HE2 LYS 47 -15.819 4.361 35.678 385 HE3 LYS 47 HE3 LYS 47 -17.396 4.119 36.424 386 HZ1 LYS 47 HZ1 LYS 47 -16.388 4.758 38.564 387 HZ2 LYS 47 HZ2 LYS 47 -14.941 5.023 37.837 388 HZ3 LYS 47 HZ3 LYS 47 -16.230 5.953 37.462 389 H ASP 48 H ASP 48 -18.300 -0.063 33.584 390 HA ASP 48 HA ASP 48 -20.288 -1.358 35.355 391 HB2 ASP 48 HB2 ASP 48 -20.597 0.905 34.300 392 HB3 ASP 48 HB3 ASP 48 -20.627 0.125 32.719 393 H CYS 49 H CYS 49 -18.334 -2.291 32.783 394 HA CYS 49 HA CYS 49 -20.212 -4.112 31.416 395 HB2 CYS 49 HB2 CYS 49 -18.931 -2.545 30.170 396 HB3 CYS 49 HB3 CYS 49 -17.421 -3.052 30.899 397 H THR 50 H THR 50 -20.097 -6.304 31.433 398 HA THR 50 HA THR 50 -18.482 -7.576 33.537 399 HB THR 50 HB THR 50 -20.006 -9.526 33.038 400 HG1 THR 50 HG1 THR 50 -21.775 -9.059 31.683 401 HG21 THR 50 HG21 THR 50 -20.533 -7.864 34.814 402 HG22 THR 50 HG22 THR 50 -21.418 -6.879 33.628 403 HG23 THR 50 HG23 THR 50 -21.992 -8.508 34.045 404 H GLU 51 H GLU 51 -18.733 -7.814 30.016 405 HA GLU 51 HA GLU 51 -17.241 -10.275 29.856 406 HB2 GLU 51 HB2 GLU 51 -17.287 -9.978 27.454 407 HB3 GLU 51 HB3 GLU 51 -18.872 -9.729 28.180 408 HG2 GLU 51 HG2 GLU 51 -18.541 -7.256 28.008 409 HG3 GLU 51 HG3 GLU 51 -16.989 -7.544 27.206 410 H ARG 52 H ARG 52 -15.183 -10.618 28.750 411 HA ARG 52 HA ARG 52 -13.176 -8.597 29.678 412 HB2 ARG 52 HB2 ARG 52 -12.896 -11.619 29.597 413 HB3 ARG 52 HB3 ARG 52 -11.771 -10.469 30.307 414 HG2 ARG 52 HG2 ARG 52 -14.534 -11.240 31.313 415 HG3 ARG 52 HG3 ARG 52 -12.985 -11.591 32.061 416 HD2 ARG 52 HD2 ARG 52 -14.257 -8.834 31.803 417 HD3 ARG 52 HD3 ARG 52 -14.213 -9.839 33.251 418 HE ARG 52 HE ARG 52 -11.541 -9.492 32.403 419 HH11 ARG 52 HH21 ARG 52 -14.129 -7.561 33.834 420 HH12 ARG 52 HH22 ARG 52 -13.018 -6.445 34.571 421 HH21 ARG 52 HH11 ARG 52 -10.157 -7.995 33.349 422 HH22 ARG 52 HH12 ARG 52 -10.800 -6.684 34.287 423 H GLN 53 H GLN 53 -11.135 -8.521 28.655 424 HA GLN 53 HA GLN 53 -11.103 -8.936 25.739 425 HB2 GLN 53 HB2 GLN 53 -9.162 -7.781 27.774 426 HB3 GLN 53 HB3 GLN 53 -8.684 -8.069 26.106 427 HG2 GLN 53 HG2 GLN 53 -10.426 -6.608 25.242 428 HG3 GLN 53 HG3 GLN 53 -11.100 -6.395 26.857 429 HE21 GLN 53 HE22 GLN 53 -9.302 -5.535 28.547 430 HE22 GLN 53 HE21 GLN 53 -8.364 -4.202 27.914 431 H ALA 54 H ALA 54 -9.782 -10.632 28.570 432 HA ALA 54 HA ALA 54 -8.595 -12.694 26.758 433 HB1 ALA 54 HB1 ALA 54 -7.638 -11.811 29.519 434 HB2 ALA 54 HB2 ALA 54 -6.894 -13.052 28.490 435 HB3 ALA 54 HB3 ALA 54 -6.884 -11.352 27.978 436 H ASN 55 H ASN 55 -8.690 -14.859 27.497 437 HA ASN 55 HA ASN 55 -10.349 -15.694 29.738 438 HB2 ASN 55 HB2 ASN 55 -12.089 -15.009 28.096 439 HB3 ASN 55 HB3 ASN 55 -11.361 -16.071 26.891 440 HD21 ASN 55 HD22 ASN 55 -12.746 -16.166 30.212 441 HD22 ASN 55 HD21 ASN 55 -13.488 -17.744 29.996 442 H9 1HF 103 H9 1HF 58 -9.896 4.310 36.037 443 H12 1HF 103 H12 1HF 58 -8.862 6.349 31.358 444 H4 1HF 103 H4 1HF 58 -6.038 -2.588 34.164 445 H6 1HF 103 H6 1HF 58 -2.763 -5.043 32.767 446 H7 1HF 103 H7 1HF 58 -2.593 -3.649 30.695 447 H1 1HF 103 H1 1HF 58 -3.778 -1.550 29.413 448 H8 1HF 103 H8 1HF 58 -8.147 -0.085 36.154 449 H11 1HF 103 H11 1HF 58 -10.235 8.020 33.056 450 H10 1HF 103 H10 1HF 58 -10.542 6.526 35.354 451 H9 1HF 104 H9 1HF 59 -12.182 2.368 37.023 452 H12 1HF 104 H12 1HF 59 -12.549 -1.772 33.884 453 H4 1HF 104 H4 1HF 59 -13.862 7.384 31.013 454 H6 1HF 104 H6 1HF 59 -14.072 9.255 27.126 455 H7 1HF 104 H7 1HF 59 -14.060 7.015 26.035 456 H1 1HF 104 H1 1HF 59 -14.341 4.309 26.604 457 H8 1HF 104 H8 1HF 59 -13.487 6.169 34.513 458 H11 1HF 104 H11 1HF 59 -11.903 -2.367 36.493 459 H10 1HF 104 H10 1HF 59 -11.790 0.116 37.722 Start of MODEL 7 1 H1 ILE 1 H1 ILE 1 -1.260 -17.650 31.850 2 H2 ILE 1 H2 ILE 1 -1.084 -16.285 32.750 3 H3 ILE 1 H3 ILE 1 -0.545 -16.317 31.207 4 HA ILE 1 HA ILE 1 -2.735 -16.531 30.334 5 HB ILE 1 HB ILE 1 -3.719 -17.754 32.212 6 HG12 ILE 1 HG13 ILE 1 -5.873 -16.770 32.255 7 HG13 ILE 1 HG12 ILE 1 -5.326 -15.227 31.550 8 HG21 ILE 1 HG21 ILE 1 -2.823 -16.471 34.147 9 HG22 ILE 1 HG22 ILE 1 -3.882 -15.105 33.721 10 HG23 ILE 1 HG23 ILE 1 -4.571 -16.657 34.215 11 HD11 ILE 1 HD11 ILE 1 -6.444 -16.649 29.882 12 HD12 ILE 1 HD12 ILE 1 -4.748 -16.395 29.443 13 HD13 ILE 1 HD13 ILE 1 -5.262 -17.942 30.158 14 H GLN 2 H GLN 2 -3.479 -14.658 29.411 15 HA GLN 2 HA GLN 2 -2.750 -12.055 30.674 16 HB2 GLN 2 HB2 GLN 2 -2.200 -12.844 27.772 17 HB3 GLN 2 HB3 GLN 2 -1.930 -11.272 28.506 18 HG2 GLN 2 HG2 GLN 2 0.203 -12.154 28.464 19 HG3 GLN 2 HG3 GLN 2 -0.294 -12.455 30.127 20 HE21 GLN 2 HE22 GLN 2 -0.206 -14.088 26.857 21 HE22 GLN 2 HE21 GLN 2 0.170 -15.662 27.537 22 H LYS 3 H LYS 3 -3.888 -10.216 29.642 23 HA LYS 3 HA LYS 3 -6.702 -10.895 29.125 24 HB2 LYS 3 HB2 LYS 3 -5.221 -8.303 29.707 25 HB3 LYS 3 HB3 LYS 3 -6.936 -8.355 29.261 26 HG2 LYS 3 HG2 LYS 3 -7.432 -9.869 31.130 27 HG3 LYS 3 HG3 LYS 3 -5.737 -9.851 31.632 28 HD2 LYS 3 HD2 LYS 3 -5.871 -7.431 32.094 29 HD3 LYS 3 HD3 LYS 3 -7.550 -7.400 31.502 30 HE2 LYS 3 HE2 LYS 3 -8.202 -9.033 33.262 31 HE3 LYS 3 HE3 LYS 3 -6.536 -9.063 33.857 32 HZ1 LYS 3 HZ1 LYS 3 -6.733 -6.719 34.402 33 HZ2 LYS 3 HZ2 LYS 3 -8.274 -6.658 33.834 34 HZ3 LYS 3 HZ3 LYS 3 -7.918 -7.557 35.155 35 H GLY 4 H GLY 4 -5.677 -11.990 27.121 36 HA2 GLY 4 HA2 GLY 4 -5.983 -12.210 24.821 37 HA3 GLY 4 HA3 GLY 4 -6.904 -10.695 24.867 38 H ASN 5 H ASN 5 -6.117 -9.191 23.583 39 HA ASN 5 HA ASN 5 -3.506 -9.245 22.393 40 HB2 ASN 5 HB2 ASN 5 -5.644 -8.291 21.428 41 HB3 ASN 5 HB3 ASN 5 -5.497 -6.938 22.553 42 HD21 ASN 5 HD22 ASN 5 -4.030 -8.549 19.722 43 HD22 ASN 5 HD21 ASN 5 -3.068 -7.167 19.234 44 H PHE 6 H PHE 6 -4.642 -7.870 25.407 45 HA PHE 6 HA PHE 6 -2.302 -6.055 25.646 46 HB2 PHE 6 HB2 PHE 6 -4.647 -6.226 27.526 47 HB3 PHE 6 HB3 PHE 6 -3.548 -4.899 27.322 48 HD1 PHE 6 HD1 PHE 6 -3.658 -3.524 25.112 49 HD2 PHE 6 HD2 PHE 6 -6.696 -6.344 26.305 50 HE1 PHE 6 HE1 PHE 6 -5.242 -2.497 23.513 51 HE2 PHE 6 HE2 PHE 6 -8.286 -5.292 24.720 52 HZ PHE 6 HZ PHE 6 -7.562 -3.370 23.314 53 H ARG 7 H ARG 7 -0.877 -6.146 27.365 54 HA ARG 7 HA ARG 7 -0.692 -8.691 28.866 55 HB2 ARG 7 HB2 ARG 7 1.128 -6.262 28.719 56 HB3 ARG 7 HB3 ARG 7 1.428 -7.687 29.723 57 HG2 ARG 7 HG2 ARG 7 1.235 -7.720 26.684 58 HG3 ARG 7 HG3 ARG 7 2.726 -7.697 27.630 59 HD2 ARG 7 HD2 ARG 7 2.024 -9.858 28.722 60 HD3 ARG 7 HD3 ARG 7 0.634 -9.902 27.634 61 HE ARG 7 HE ARG 7 2.004 -10.348 25.801 62 HH11 ARG 7 HH11 ARG 7 4.102 -9.910 28.655 63 HH12 ARG 7 HH12 ARG 7 5.440 -10.680 27.854 64 HH21 ARG 7 HH21 ARG 7 3.791 -11.284 24.869 65 HH22 ARG 7 HH22 ARG 7 5.280 -11.416 25.750 66 H ASN 8 H ASN 8 -1.374 -8.985 30.795 67 HA ASN 8 HA ASN 8 -2.533 -6.931 32.512 68 HB2 ASN 8 HB2 ASN 8 -3.070 -8.839 33.965 69 HB3 ASN 8 HB3 ASN 8 -3.652 -9.034 32.322 70 HD21 ASN 8 HD22 ASN 8 -3.461 -11.244 34.046 71 HD22 ASN 8 HD21 ASN 8 -2.261 -12.316 33.330 72 H GLN 9 H GLN 9 -0.042 -6.106 32.137 73 HA GLN 9 HA GLN 9 1.934 -5.455 33.019 74 HB2 GLN 9 HB2 GLN 9 0.795 -6.438 35.666 75 HB3 GLN 9 HB3 GLN 9 2.272 -5.505 35.480 76 HG2 GLN 9 HG2 GLN 9 1.085 -3.609 34.550 77 HG3 GLN 9 HG3 GLN 9 -0.433 -4.506 34.510 78 HE21 GLN 9 HE22 GLN 9 -1.669 -4.710 36.422 79 HE22 GLN 9 HE21 GLN 9 -1.184 -3.934 37.937 80 H ARG 10 H ARG 10 1.374 -8.539 32.333 81 HA ARG 10 HA ARG 10 3.632 -9.865 33.591 82 HB2 ARG 10 HB2 ARG 10 1.599 -11.051 32.862 83 HB3 ARG 10 HB3 ARG 10 1.956 -10.661 31.173 84 HG2 ARG 10 HG2 ARG 10 4.076 -11.955 31.326 85 HG3 ARG 10 HG3 ARG 10 3.755 -12.285 33.039 86 HD2 ARG 10 HD2 ARG 10 1.674 -13.485 32.411 87 HD3 ARG 10 HD3 ARG 10 2.000 -13.175 30.707 88 HE ARG 10 HE ARG 10 3.351 -15.091 32.492 89 HH11 ARG 10 HH21 ARG 10 3.522 -13.546 29.306 90 HH12 ARG 10 HH22 ARG 10 4.556 -14.790 28.667 91 HH21 ARG 10 HH11 ARG 10 4.686 -16.642 31.600 92 HH22 ARG 10 HH12 ARG 10 5.209 -16.507 29.950 93 H LYS 11 H LYS 11 5.490 -8.899 33.232 94 HA LYS 11 HA LYS 11 7.475 -8.286 32.348 95 HB2 LYS 11 HB2 LYS 11 7.196 -10.321 30.889 96 HB3 LYS 11 HB3 LYS 11 6.536 -9.271 29.623 97 HG2 LYS 11 HG2 LYS 11 8.642 -7.970 29.590 98 HG3 LYS 11 HG3 LYS 11 9.302 -9.000 30.877 99 HD2 LYS 11 HD2 LYS 11 9.065 -10.982 29.391 100 HD3 LYS 11 HD3 LYS 11 8.459 -9.948 28.092 101 HE2 LYS 11 HE2 LYS 11 11.203 -9.684 29.419 102 HE3 LYS 11 HE3 LYS 11 10.900 -10.560 27.918 103 HZ1 LYS 11 HZ1 LYS 11 10.454 -7.652 28.300 104 HZ2 LYS 11 HZ2 LYS 11 11.678 -8.330 27.460 105 HZ3 LYS 11 HZ3 LYS 11 10.145 -8.475 26.917 106 H THR 12 H THR 12 4.759 -7.375 30.299 107 HA THR 12 HA THR 12 5.663 -4.531 30.108 108 HB THR 12 HB THR 12 4.468 -6.250 27.880 109 HG1 THR 12 HG1 THR 12 6.555 -6.062 27.003 110 HG21 THR 12 HG21 THR 12 3.853 -3.959 27.410 111 HG22 THR 12 HG22 THR 12 5.479 -3.368 27.866 112 HG23 THR 12 HG23 THR 12 5.239 -4.341 26.403 113 H VAL 13 H VAL 13 3.726 -3.135 29.532 114 HA VAL 13 HA VAL 13 1.082 -4.293 30.223 115 HB VAL 13 HB VAL 13 2.016 -3.125 32.233 116 HG11 VAL 13 HG11 VAL 13 1.637 -0.558 30.644 117 HG12 VAL 13 HG12 VAL 13 2.078 -0.697 32.353 118 HG13 VAL 13 HG13 VAL 13 3.207 -1.251 31.107 119 HG21 VAL 13 HG21 VAL 13 -0.044 -1.965 32.801 120 HG22 VAL 13 HG22 VAL 13 -0.515 -1.894 31.091 121 HG23 VAL 13 HG23 VAL 13 -0.387 -3.463 31.923 122 H LYS 14 H LYS 14 -0.669 -3.354 29.078 123 HA LYS 14 HA LYS 14 0.103 -1.552 26.814 124 HB2 LYS 14 HB2 LYS 14 -0.057 -4.214 26.469 125 HB3 LYS 14 HB3 LYS 14 -1.769 -3.885 26.437 126 HG2 LYS 14 HG2 LYS 14 -1.463 -2.284 24.564 127 HG3 LYS 14 HG3 LYS 14 0.286 -2.578 24.621 128 HD2 LYS 14 HD2 LYS 14 -0.167 -5.026 24.183 129 HD3 LYS 14 HD3 LYS 14 -1.884 -4.620 23.971 130 HE2 LYS 14 HE2 LYS 14 -1.297 -3.100 22.111 131 HE3 LYS 14 HE3 LYS 14 0.413 -3.510 22.307 132 HZ1 LYS 14 HZ1 LYS 14 -0.585 -4.838 20.565 133 HZ2 LYS 14 HZ2 LYS 14 -0.209 -5.840 21.805 134 HZ3 LYS 14 HZ3 LYS 14 -1.766 -5.385 21.558 135 H CYS 15 H CYS 15 -1.263 0.123 26.448 136 HA CYS 15 HA CYS 15 -3.549 0.623 28.104 137 HB2 CYS 15 HB2 CYS 15 -2.184 2.355 27.230 138 HB3 CYS 15 HB3 CYS 15 -2.515 1.877 25.560 139 H PHE 16 H PHE 16 -5.698 0.355 27.835 140 HA PHE 16 HA PHE 16 -6.688 -1.322 25.641 141 HB2 PHE 16 HB2 PHE 16 -8.190 0.038 27.902 142 HB3 PHE 16 HB3 PHE 16 -8.796 -1.218 26.828 143 HD1 PHE 16 HD2 PHE 16 -5.771 -2.694 27.370 144 HD2 PHE 16 HD1 PHE 16 -9.274 -1.485 29.568 145 HE1 PHE 16 HE2 PHE 16 -5.321 -4.433 29.075 146 HE2 PHE 16 HE1 PHE 16 -8.858 -3.274 31.231 147 HZ PHE 16 HZ PHE 16 -6.858 -4.743 30.993 148 H ASN 17 H ASN 17 -6.512 2.145 26.273 149 HA ASN 17 HA ASN 17 -8.778 2.816 24.531 150 HB2 ASN 17 HB2 ASN 17 -8.287 4.225 26.483 151 HB3 ASN 17 HB3 ASN 17 -6.683 4.574 25.864 152 HD21 ASN 17 HD21 ASN 17 -6.848 6.813 25.462 153 HD22 ASN 17 HD22 ASN 17 -7.982 7.460 24.288 154 H CYS 18 H CYS 18 -5.233 3.553 24.350 155 HA CYS 18 HA CYS 18 -5.593 4.057 21.429 156 HB2 CYS 18 HB2 CYS 18 -3.659 5.308 21.444 157 HB3 CYS 18 HB3 CYS 18 -4.541 5.790 22.882 158 H GLY 19 H GLY 19 -4.302 1.587 23.448 159 HA2 GLY 19 HA2 GLY 19 -3.737 -0.563 22.712 160 HA3 GLY 19 HA3 GLY 19 -3.477 0.051 21.068 161 H LYS 20 H LYS 20 -1.678 2.156 22.888 162 HA LYS 20 HA LYS 20 0.776 0.743 22.131 163 HB2 LYS 20 HB2 LYS 20 0.133 3.518 23.151 164 HB3 LYS 20 HB3 LYS 20 1.788 2.939 23.078 165 HG2 LYS 20 HG2 LYS 20 1.301 4.251 21.150 166 HG3 LYS 20 HG3 LYS 20 1.632 2.587 20.668 167 HD2 LYS 20 HD2 LYS 20 -0.734 2.174 20.261 168 HD3 LYS 20 HD3 LYS 20 -1.182 3.751 20.924 169 HE2 LYS 20 HE2 LYS 20 0.564 3.329 18.454 170 HE3 LYS 20 HE3 LYS 20 -1.185 3.566 18.405 171 HZ1 LYS 20 HZ1 LYS 20 -0.867 5.736 19.454 172 HZ2 LYS 20 HZ2 LYS 20 0.758 5.539 19.464 173 HZ3 LYS 20 HZ3 LYS 20 -0.043 5.651 18.046 174 H GLU 21 H GLU 21 2.515 0.217 23.371 175 HA GLU 21 HA GLU 21 2.218 -0.919 25.897 176 HB2 GLU 21 HB2 GLU 21 4.662 -0.133 24.310 177 HB3 GLU 21 HB3 GLU 21 4.655 -1.159 25.754 178 HG2 GLU 21 HG2 GLU 21 4.248 -2.849 24.441 179 HG3 GLU 21 HG3 GLU 21 2.618 -2.330 24.362 180 H GLY 22 H GLY 22 3.585 -0.603 27.683 181 HA2 GLY 22 HA2 GLY 22 4.832 0.464 29.320 182 HA3 GLY 22 HA3 GLY 22 4.956 1.884 28.259 183 H HIS 23 H HIS 23 1.681 1.292 28.686 184 HA HIS 23 HA HIS 23 1.366 2.597 31.270 185 HB2 HIS 23 HB2 HIS 23 0.474 4.688 30.470 186 HB3 HIS 23 HB3 HIS 23 2.016 4.464 29.687 187 HD1 HIS 23 HD1 HIS 23 1.849 3.692 27.005 188 HD2 HIS 23 HD2 HIS 23 -1.716 4.799 28.941 189 HE1 HIS 23 HE1 HIS 23 0.142 4.192 25.178 190 H ILE 24 H ILE 24 -1.021 3.373 31.448 191 HA ILE 24 HA ILE 24 -2.933 1.353 30.386 192 HB ILE 24 HB ILE 24 -4.026 1.312 32.592 193 HG12 ILE 24 HG12 ILE 24 -1.648 2.925 33.657 194 HG13 ILE 24 HG13 ILE 24 -3.292 3.527 33.446 195 HG21 ILE 24 HG21 ILE 24 -2.531 -0.237 33.639 196 HG22 ILE 24 HG22 ILE 24 -2.230 -0.349 31.904 197 HG23 ILE 24 HG23 ILE 24 -1.100 0.545 32.932 198 HD11 ILE 24 HD11 ILE 24 -4.133 1.831 35.063 199 HD12 ILE 24 HD12 ILE 24 -2.449 1.335 35.369 200 HD13 ILE 24 HD13 ILE 24 -2.973 2.979 35.761 201 H ALA 25 H ALA 25 -5.173 2.170 30.274 202 HA ALA 25 HA ALA 25 -5.311 4.688 29.163 203 HB1 ALA 25 HB1 ALA 25 -6.922 2.835 28.799 204 HB2 ALA 25 HB2 ALA 25 -7.572 3.068 30.441 205 HB3 ALA 25 HB3 ALA 25 -7.767 4.336 29.216 206 H LYS 26 H LYS 26 -5.711 3.967 32.601 207 HA LYS 26 HA LYS 26 -6.820 6.473 33.462 208 HB2 LYS 26 HB2 LYS 26 -6.586 4.233 34.701 209 HB3 LYS 26 HB3 LYS 26 -4.901 4.661 34.991 210 HG2 LYS 26 HG2 LYS 26 -5.627 6.689 36.226 211 HG3 LYS 26 HG3 LYS 26 -7.320 6.310 35.859 212 HD2 LYS 26 HD2 LYS 26 -7.063 4.138 37.093 213 HD3 LYS 26 HD3 LYS 26 -5.402 4.606 37.514 214 HE2 LYS 26 HE2 LYS 26 -6.285 6.641 38.660 215 HE3 LYS 26 HE3 LYS 26 -7.935 6.156 38.245 216 HZ1 LYS 26 HZ1 LYS 26 -7.357 5.482 40.497 217 HZ2 LYS 26 HZ2 LYS 26 -7.612 4.150 39.588 218 HZ3 LYS 26 HZ3 LYS 26 -6.087 4.602 39.974 219 H ASN 27 H ASN 27 -3.581 5.526 32.590 220 HA ASN 27 HA ASN 27 -2.309 8.024 33.569 221 HB2 ASN 27 HB2 ASN 27 -1.478 5.672 34.077 222 HB3 ASN 27 HB3 ASN 27 -1.129 5.499 32.361 223 HD21 ASN 27 HD22 ASN 27 1.028 4.983 33.416 224 HD22 ASN 27 HD21 ASN 27 2.106 6.331 33.687 225 H CYS 28 H CYS 28 -3.418 6.462 30.647 226 HA CYS 28 HA CYS 28 -1.899 7.584 28.613 227 HB2 CYS 28 HB2 CYS 28 -3.640 5.828 28.420 228 HB3 CYS 28 HB3 CYS 28 -4.886 7.067 28.586 229 H ARG 29 H ARG 29 -2.063 9.269 27.226 230 HA ARG 29 HA ARG 29 -3.583 11.710 28.064 231 HB2 ARG 29 HB2 ARG 29 -0.860 11.502 26.710 232 HB3 ARG 29 HB3 ARG 29 -1.725 13.006 27.062 233 HG2 ARG 29 HG2 ARG 29 -1.663 12.471 29.497 234 HG3 ARG 29 HG3 ARG 29 -0.716 11.013 29.141 235 HD2 ARG 29 HD2 ARG 29 1.050 12.416 28.110 236 HD3 ARG 29 HD3 ARG 29 0.117 13.873 28.517 237 HE ARG 29 HE ARG 29 0.465 12.334 30.880 238 HH11 ARG 29 HH21 ARG 29 2.480 14.271 28.710 239 HH12 ARG 29 HH22 ARG 29 3.626 14.648 29.962 240 HH21 ARG 29 HH11 ARG 29 1.978 12.860 32.448 241 HH22 ARG 29 HH12 ARG 29 3.342 13.859 32.049 242 H ALA 30 H ALA 30 -3.691 9.322 25.740 243 HA ALA 30 HA ALA 30 -4.033 10.950 23.336 244 HB1 ALA 30 HB1 ALA 30 -4.792 8.050 23.920 245 HB2 ALA 30 HB2 ALA 30 -4.645 8.783 22.321 246 HB3 ALA 30 HB3 ALA 30 -3.202 8.582 23.326 247 HA PRO 31 HA PRO 31 -8.403 11.868 23.777 248 HB2 PRO 31 HB2 PRO 31 -9.415 11.492 21.240 249 HB3 PRO 31 HB3 PRO 31 -8.421 12.898 21.725 250 HG2 PRO 31 HG2 PRO 31 -7.501 10.350 20.358 251 HG3 PRO 31 HG3 PRO 31 -7.124 12.046 19.909 252 HD2 PRO 31 HD2 PRO 31 -5.387 10.575 21.354 253 HD3 PRO 31 HD3 PRO 31 -5.647 12.296 21.751 254 H ARG 32 H ARG 32 -10.335 10.824 24.171 255 HA ARG 32 HA ARG 32 -10.149 7.857 24.319 256 HB2 ARG 32 HB2 ARG 32 -11.936 9.729 25.869 257 HB3 ARG 32 HB3 ARG 32 -11.690 7.995 26.100 258 HG2 ARG 32 HG2 ARG 32 -9.282 8.401 26.594 259 HG3 ARG 32 HG3 ARG 32 -9.560 10.144 26.471 260 HD2 ARG 32 HD2 ARG 32 -11.188 10.033 28.320 261 HD3 ARG 32 HD3 ARG 32 -10.904 8.304 28.500 262 HE ARG 32 HE ARG 32 -9.279 10.473 29.485 263 HH11 ARG 32 HH21 ARG 32 -8.884 7.125 28.339 264 HH12 ARG 32 HH22 ARG 32 -7.461 6.912 29.340 265 HH21 ARG 32 HH11 ARG 32 -7.383 10.057 30.651 266 HH22 ARG 32 HH12 ARG 32 -6.656 8.471 30.551 267 H LYS 33 H LYS 33 -11.460 6.523 23.452 268 HA LYS 33 HA LYS 33 -12.912 7.128 21.134 269 HB2 LYS 33 HB2 LYS 33 -12.922 4.671 22.943 270 HB3 LYS 33 HB3 LYS 33 -13.696 4.709 21.353 271 HG2 LYS 33 HG2 LYS 33 -11.580 5.238 20.256 272 HG3 LYS 33 HG3 LYS 33 -10.743 5.299 21.816 273 HD2 LYS 33 HD2 LYS 33 -11.143 2.935 22.197 274 HD3 LYS 33 HD3 LYS 33 -12.135 2.815 20.724 275 HE2 LYS 33 HE2 LYS 33 -10.215 3.371 19.321 276 HE3 LYS 33 HE3 LYS 33 -9.217 3.708 20.742 277 HZ1 LYS 33 HZ1 LYS 33 -8.784 1.504 19.818 278 HZ2 LYS 33 HZ2 LYS 33 -9.335 1.391 21.347 279 HZ3 LYS 33 HZ3 LYS 33 -10.329 1.035 20.087 280 H LYS 34 H LYS 34 -15.146 6.485 20.567 281 HA LYS 34 HA LYS 34 -17.097 7.853 22.282 282 HB2 LYS 34 HB2 LYS 34 -17.342 6.565 19.526 283 HB3 LYS 34 HB3 LYS 34 -18.608 7.507 20.323 284 HG2 LYS 34 HG2 LYS 34 -17.118 9.491 20.376 285 HG3 LYS 34 HG3 LYS 34 -15.875 8.579 19.500 286 HD2 LYS 34 HD2 LYS 34 -17.468 8.210 17.629 287 HD3 LYS 34 HD3 LYS 34 -18.687 9.178 18.464 288 HE2 LYS 34 HE2 LYS 34 -15.928 10.183 17.605 289 HE3 LYS 34 HE3 LYS 34 -17.403 10.389 16.659 290 HZ1 LYS 34 HZ1 LYS 34 -18.339 11.675 18.499 291 HZ2 LYS 34 HZ2 LYS 34 -16.960 11.518 19.366 292 HZ3 LYS 34 HZ3 LYS 34 -16.955 12.357 17.967 293 H GLY 35 H GLY 35 -15.993 5.245 23.186 294 HA2 GLY 35 HA2 GLY 35 -18.288 4.072 24.362 295 HA3 GLY 35 HA3 GLY 35 -17.873 3.112 22.956 296 H CYS 36 H CYS 36 -17.785 1.610 24.837 297 HA CYS 36 HA CYS 36 -15.856 1.541 26.867 298 HB2 CYS 36 HB2 CYS 36 -17.899 0.268 26.765 299 HB3 CYS 36 HB3 CYS 36 -17.315 -0.635 25.368 300 H TRP 37 H TRP 37 -13.806 0.770 27.083 301 HA TRP 37 HA TRP 37 -12.285 -0.082 24.692 302 HB2 TRP 37 HB2 TRP 37 -11.358 0.182 27.564 303 HB3 TRP 37 HB3 TRP 37 -10.374 0.088 26.109 304 HD1 TRP 37 HD1 TRP 37 -11.610 2.324 24.343 305 HE1 TRP 37 HE1 TRP 37 -11.269 4.795 24.960 306 HE3 TRP 37 HE3 TRP 37 -10.705 1.811 29.350 307 HZ2 TRP 37 HZ2 TRP 37 -10.900 6.344 27.338 308 HZ3 TRP 37 HZ3 TRP 37 -10.470 3.810 30.795 309 HH2 TRP 37 HH2 TRP 37 -10.606 6.093 29.802 310 H LYS 38 H LYS 38 -14.044 -1.637 27.218 311 HA LYS 38 HA LYS 38 -12.357 -4.075 27.276 312 HB2 LYS 38 HB2 LYS 38 -13.042 -2.939 29.305 313 HB3 LYS 38 HB3 LYS 38 -14.741 -3.151 28.939 314 HG2 LYS 38 HG2 LYS 38 -14.431 -5.639 29.118 315 HG3 LYS 38 HG3 LYS 38 -12.734 -5.347 29.573 316 HD2 LYS 38 HD2 LYS 38 -13.551 -3.903 31.474 317 HD3 LYS 38 HD3 LYS 38 -15.218 -4.315 31.028 318 HE2 LYS 38 HE2 LYS 38 -14.671 -6.736 31.407 319 HE3 LYS 38 HE3 LYS 38 -13.047 -6.254 31.933 320 HZ1 LYS 38 HZ1 LYS 38 -14.092 -4.968 33.724 321 HZ2 LYS 38 HZ2 LYS 38 -15.591 -5.418 33.243 322 HZ3 LYS 38 HZ3 LYS 38 -14.543 -6.535 33.828 323 H CYS 39 H CYS 39 -15.565 -3.081 26.122 324 HA CYS 39 HA CYS 39 -15.660 -5.701 24.624 325 HB2 CYS 39 HB2 CYS 39 -17.952 -5.848 24.707 326 HB3 CYS 39 HB3 CYS 39 -17.479 -5.485 26.356 327 H GLY 40 H GLY 40 -16.133 -2.213 24.304 328 HA2 GLY 40 HA2 GLY 40 -15.568 -1.124 22.214 329 HA3 GLY 40 HA3 GLY 40 -16.155 -2.533 21.324 330 H LYS 41 H LYS 41 -18.619 -2.278 23.436 331 HA LYS 41 HA LYS 41 -20.264 -0.726 21.562 332 HB2 LYS 41 HB2 LYS 41 -20.850 -2.239 24.123 333 HB3 LYS 41 HB3 LYS 41 -22.061 -1.238 23.318 334 HG2 LYS 41 HG2 LYS 41 -21.915 -2.569 21.287 335 HG3 LYS 41 HG3 LYS 41 -20.569 -3.510 21.942 336 HD2 LYS 41 HD2 LYS 41 -22.697 -4.749 22.048 337 HD3 LYS 41 HD3 LYS 41 -21.994 -4.487 23.654 338 HE2 LYS 41 HE2 LYS 41 -23.550 -2.653 24.091 339 HE3 LYS 41 HE3 LYS 41 -24.227 -2.780 22.462 340 HZ1 LYS 41 HZ1 LYS 41 -25.482 -3.920 24.319 341 HZ2 LYS 41 HZ2 LYS 41 -25.165 -4.881 23.015 342 HZ3 LYS 41 HZ3 LYS 41 -24.288 -5.027 24.396 343 H GLU 42 H GLU 42 -21.635 1.020 22.117 344 HA GLU 42 HA GLU 42 -20.273 3.115 23.669 345 HB2 GLU 42 HB2 GLU 42 -21.867 4.617 22.646 346 HB3 GLU 42 HB3 GLU 42 -21.058 3.646 21.437 347 HG2 GLU 42 HG2 GLU 42 -23.801 2.821 22.460 348 HG3 GLU 42 HG3 GLU 42 -23.631 4.117 21.288 349 H GLY 43 H GLY 43 -21.865 4.701 24.826 350 HA2 GLY 43 HA2 GLY 43 -23.621 5.198 26.224 351 HA3 GLY 43 HA3 GLY 43 -24.210 3.528 26.082 352 H HIS 44 H HIS 44 -21.026 3.337 27.153 353 HA HIS 44 HA HIS 44 -21.557 3.731 30.004 354 HB2 HIS 44 HB2 HIS 44 -21.411 1.371 30.597 355 HB3 HIS 44 HB3 HIS 44 -22.740 1.606 29.485 356 HD1 HIS 44 HD1 HIS 44 -22.123 0.830 26.820 357 HD2 HIS 44 HD2 HIS 44 -19.604 -0.397 29.952 358 HE1 HIS 44 HE1 HIS 44 -20.713 -1.088 25.911 359 H GLN 45 H GLN 45 -19.746 3.091 31.386 360 HA GLN 45 HA GLN 45 -17.059 3.279 30.080 361 HB2 GLN 45 HB2 GLN 45 -18.028 3.908 32.906 362 HB3 GLN 45 HB3 GLN 45 -16.327 3.767 32.467 363 HG2 GLN 45 HG2 GLN 45 -16.638 5.599 30.768 364 HG3 GLN 45 HG3 GLN 45 -18.294 5.801 31.329 365 HE21 GLN 45 HE22 GLN 45 -16.554 8.056 31.455 366 HE22 GLN 45 HE21 GLN 45 -16.200 8.322 33.146 367 H MET 46 H MET 46 -15.479 1.701 30.639 368 HA MET 46 HA MET 46 -16.583 -0.860 30.730 369 HB2 MET 46 HB2 MET 46 -14.317 -1.663 30.676 370 HB3 MET 46 HB3 MET 46 -14.583 -0.376 29.503 371 HG2 MET 46 HG2 MET 46 -13.327 1.187 30.839 372 HG3 MET 46 HG3 MET 46 -13.312 0.073 32.210 373 HE1 MET 46 HE1 MET 46 -9.551 0.119 31.377 374 HE2 MET 46 HE2 MET 46 -10.773 1.382 31.641 375 HE3 MET 46 HE3 MET 46 -10.721 -0.045 32.695 376 H LYS 47 H LYS 47 -15.795 0.963 33.566 377 HA LYS 47 HA LYS 47 -15.478 -1.334 35.334 378 HB2 LYS 47 HB2 LYS 47 -16.171 0.344 37.125 379 HB3 LYS 47 HB3 LYS 47 -14.668 0.596 36.299 380 HG2 LYS 47 HG2 LYS 47 -15.571 2.358 34.935 381 HG3 LYS 47 HG3 LYS 47 -17.220 2.074 35.555 382 HD2 LYS 47 HD2 LYS 47 -16.442 2.735 37.819 383 HD3 LYS 47 HD3 LYS 47 -14.800 2.975 37.190 384 HE2 LYS 47 HE2 LYS 47 -15.840 4.638 35.531 385 HE3 LYS 47 HE3 LYS 47 -17.332 4.518 36.460 386 HZ1 LYS 47 HZ1 LYS 47 -16.057 5.297 38.414 387 HZ2 LYS 47 HZ2 LYS 47 -14.708 5.462 37.491 388 HZ3 LYS 47 HZ3 LYS 47 -16.020 6.391 37.200 389 H ASP 48 H ASP 48 -18.265 0.086 33.803 390 HA ASP 48 HA ASP 48 -20.180 -1.324 35.574 391 HB2 ASP 48 HB2 ASP 48 -20.578 0.969 34.568 392 HB3 ASP 48 HB3 ASP 48 -20.647 0.198 32.982 393 H CYS 49 H CYS 49 -18.119 -2.226 33.086 394 HA CYS 49 HA CYS 49 -20.021 -4.018 31.686 395 HB2 CYS 49 HB2 CYS 49 -18.748 -2.287 30.474 396 HB3 CYS 49 HB3 CYS 49 -17.247 -3.117 30.885 397 H THR 50 H THR 50 -19.347 -6.031 30.950 398 HA THR 50 HA THR 50 -17.217 -7.573 32.312 399 HB THR 50 HB THR 50 -18.833 -9.465 32.721 400 HG1 THR 50 HG1 THR 50 -21.036 -8.849 32.911 401 HG21 THR 50 HG21 THR 50 -19.454 -6.958 34.348 402 HG22 THR 50 HG22 THR 50 -19.653 -8.646 34.857 403 HG23 THR 50 HG23 THR 50 -18.029 -7.996 34.581 404 H GLU 51 H GLU 51 -20.014 -7.903 30.183 405 HA GLU 51 HA GLU 51 -18.358 -8.692 27.864 406 HB2 GLU 51 HB2 GLU 51 -19.730 -10.652 27.488 407 HB3 GLU 51 HB3 GLU 51 -19.037 -10.704 29.118 408 HG2 GLU 51 HG2 GLU 51 -21.143 -10.105 30.141 409 HG3 GLU 51 HG3 GLU 51 -21.886 -9.794 28.574 410 H ARG 52 H ARG 52 -19.844 -8.889 25.863 411 HA ARG 52 HA ARG 52 -20.966 -6.442 25.207 412 HB2 ARG 52 HB2 ARG 52 -21.393 -9.232 24.071 413 HB3 ARG 52 HB3 ARG 52 -22.104 -7.818 23.309 414 HG2 ARG 52 HG2 ARG 52 -19.108 -8.055 23.814 415 HG3 ARG 52 HG3 ARG 52 -19.905 -8.623 22.342 416 HD2 ARG 52 HD2 ARG 52 -20.783 -6.338 21.913 417 HD3 ARG 52 HD3 ARG 52 -19.986 -5.760 23.378 418 HE ARG 52 HE ARG 52 -17.967 -5.704 22.305 419 HH11 ARG 52 HH21 ARG 52 -20.110 -7.551 20.160 420 HH12 ARG 52 HH22 ARG 52 -18.961 -7.484 18.856 421 HH21 ARG 52 HH11 ARG 52 -16.599 -5.669 20.674 422 HH22 ARG 52 HH12 ARG 52 -16.963 -6.431 19.140 423 H GLN 53 H GLN 53 -22.682 -8.991 26.897 424 HA GLN 53 HA GLN 53 -25.358 -7.918 26.333 425 HB2 GLN 53 HB2 GLN 53 -24.401 -10.068 28.275 426 HB3 GLN 53 HB3 GLN 53 -26.086 -9.672 27.926 427 HG2 GLN 53 HG2 GLN 53 -25.680 -10.227 25.502 428 HG3 GLN 53 HG3 GLN 53 -24.066 -10.800 25.942 429 HE21 GLN 53 HE22 GLN 53 -23.955 -12.655 27.560 430 HE22 GLN 53 HE21 GLN 53 -25.312 -13.789 27.563 431 H ALA 54 H ALA 54 -22.906 -6.841 28.480 432 HA ALA 54 HA ALA 54 -24.514 -6.254 30.781 433 HB1 ALA 54 HB1 ALA 54 -22.539 -4.957 31.467 434 HB2 ALA 54 HB2 ALA 54 -22.052 -6.523 30.795 435 HB3 ALA 54 HB3 ALA 54 -21.883 -5.044 29.820 436 H ASN 55 H ASN 55 -24.451 -4.665 27.742 437 HA ASN 55 HA ASN 55 -25.922 -2.306 28.843 438 HB2 ASN 55 HB2 ASN 55 -23.612 -1.642 28.292 439 HB3 ASN 55 HB3 ASN 55 -23.813 -2.258 26.656 440 HD21 ASN 55 HD22 ASN 55 -25.843 -1.277 25.518 441 HD22 ASN 55 HD21 ASN 55 -25.936 0.492 25.643 442 H9 1HF 103 H9 1HF 58 -9.828 4.360 36.112 443 H12 1HF 103 H12 1HF 58 -9.000 6.327 31.368 444 H4 1HF 103 H4 1HF 58 -5.961 -2.529 34.225 445 H6 1HF 103 H6 1HF 58 -2.569 -4.794 32.772 446 H7 1HF 103 H7 1HF 58 -2.547 -3.441 30.676 447 H1 1HF 103 H1 1HF 58 -3.848 -1.432 29.416 448 H8 1HF 103 H8 1HF 58 -8.179 -0.073 36.201 449 H11 1HF 103 H11 1HF 58 -10.146 8.077 33.139 450 H10 1HF 103 H10 1HF 58 -10.398 6.601 35.461 451 H9 1HF 104 H9 1HF 59 -12.162 2.621 36.839 452 H12 1HF 104 H12 1HF 59 -12.769 -1.693 33.994 453 H4 1HF 104 H4 1HF 59 -14.299 7.173 30.530 454 H6 1HF 104 H6 1HF 59 -14.188 8.786 26.523 455 H7 1HF 104 H7 1HF 59 -13.850 6.492 25.598 456 H1 1HF 104 H1 1HF 59 -14.161 3.820 26.324 457 H8 1HF 104 H8 1HF 59 -13.517 6.254 34.095 458 H11 1HF 104 H11 1HF 59 -12.010 -2.149 36.607 459 H10 1HF 104 H10 1HF 59 -11.756 0.400 37.666 Start of MODEL 8 1 H1 ILE 1 H1 ILE 1 -8.195 -8.888 17.372 2 H2 ILE 1 H2 ILE 1 -7.467 -7.763 18.309 3 H3 ILE 1 H3 ILE 1 -8.064 -9.136 18.981 4 HA ILE 1 HA ILE 1 -5.844 -9.028 17.053 5 HB ILE 1 HB ILE 1 -5.057 -8.043 19.055 6 HG12 ILE 1 HG13 ILE 1 -3.317 -9.489 19.769 7 HG13 ILE 1 HG12 ILE 1 -4.019 -10.925 18.991 8 HG21 ILE 1 HG21 ILE 1 -6.055 -10.437 20.656 9 HG22 ILE 1 HG22 ILE 1 -5.041 -9.125 21.263 10 HG23 ILE 1 HG23 ILE 1 -6.680 -8.771 20.740 11 HD11 ILE 1 HD11 ILE 1 -3.008 -8.433 17.550 12 HD12 ILE 1 HD12 ILE 1 -2.163 -9.987 17.676 13 HD13 ILE 1 HD13 ILE 1 -3.680 -9.883 16.768 14 H GLN 2 H GLN 2 -5.721 -10.814 15.843 15 HA GLN 2 HA GLN 2 -7.336 -13.136 16.357 16 HB2 GLN 2 HB2 GLN 2 -6.703 -12.200 14.126 17 HB3 GLN 2 HB3 GLN 2 -5.036 -12.728 14.392 18 HG2 GLN 2 HG2 GLN 2 -5.782 -15.088 14.462 19 HG3 GLN 2 HG3 GLN 2 -7.467 -14.576 14.303 20 HE21 GLN 2 HE22 GLN 2 -8.094 -13.474 12.199 21 HE22 GLN 2 HE21 GLN 2 -7.162 -13.884 10.767 22 H LYS 3 H LYS 3 -3.940 -12.416 17.083 23 HA LYS 3 HA LYS 3 -3.094 -15.098 17.652 24 HB2 LYS 3 HB2 LYS 3 -1.712 -13.065 17.059 25 HB3 LYS 3 HB3 LYS 3 -2.002 -12.442 18.688 26 HG2 LYS 3 HG2 LYS 3 -0.793 -14.348 19.661 27 HG3 LYS 3 HG3 LYS 3 -0.640 -15.102 18.059 28 HD2 LYS 3 HD2 LYS 3 0.730 -13.180 17.296 29 HD3 LYS 3 HD3 LYS 3 0.556 -12.419 18.893 30 HE2 LYS 3 HE2 LYS 3 1.666 -14.379 19.947 31 HE3 LYS 3 HE3 LYS 3 1.827 -15.147 18.362 32 HZ1 LYS 3 HZ1 LYS 3 3.249 -13.295 17.679 33 HZ2 LYS 3 HZ2 LYS 3 3.100 -12.581 19.144 34 HZ3 LYS 3 HZ3 LYS 3 3.869 -14.016 19.007 35 H GLY 4 H GLY 4 -5.250 -13.151 19.412 36 HA2 GLY 4 HA2 GLY 4 -6.310 -13.621 21.487 37 HA3 GLY 4 HA3 GLY 4 -4.985 -14.714 21.940 38 H ASN 5 H ASN 5 -5.438 -13.317 23.965 39 HA ASN 5 HA ASN 5 -4.825 -10.577 24.032 40 HB2 ASN 5 HB2 ASN 5 -4.822 -10.750 26.420 41 HB3 ASN 5 HB3 ASN 5 -6.086 -11.789 25.779 42 HD21 ASN 5 HD22 ASN 5 -2.928 -11.727 27.456 43 HD22 ASN 5 HD21 ASN 5 -2.979 -13.421 27.908 44 H PHE 6 H PHE 6 -3.121 -9.347 24.765 45 HA PHE 6 HA PHE 6 -0.420 -10.273 24.183 46 HB2 PHE 6 HB2 PHE 6 -1.441 -7.656 25.365 47 HB3 PHE 6 HB3 PHE 6 0.179 -7.944 24.753 48 HD1 PHE 6 HD1 PHE 6 0.517 -8.476 22.278 49 HD2 PHE 6 HD2 PHE 6 -3.224 -7.026 23.865 50 HE1 PHE 6 HE1 PHE 6 -0.180 -7.770 20.003 51 HE2 PHE 6 HE2 PHE 6 -3.913 -6.319 21.589 52 HZ PHE 6 HZ PHE 6 -2.390 -6.682 19.655 53 H ARG 7 H ARG 7 1.365 -9.883 25.738 54 HA ARG 7 HA ARG 7 0.909 -11.204 28.279 55 HB2 ARG 7 HB2 ARG 7 3.331 -11.118 28.518 56 HB3 ARG 7 HB3 ARG 7 2.851 -11.749 26.954 57 HG2 ARG 7 HG2 ARG 7 3.445 -9.717 25.814 58 HG3 ARG 7 HG3 ARG 7 3.665 -8.827 27.322 59 HD2 ARG 7 HD2 ARG 7 5.344 -11.233 26.515 60 HD3 ARG 7 HD3 ARG 7 5.785 -9.553 26.166 61 HE ARG 7 HE ARG 7 5.285 -9.629 28.917 62 HH11 ARG 7 HH11 ARG 7 7.632 -11.146 26.743 63 HH12 ARG 7 HH12 ARG 7 8.867 -11.189 27.965 64 HH21 ARG 7 HH21 ARG 7 6.911 -9.690 30.424 65 HH22 ARG 7 HH22 ARG 7 8.466 -10.380 30.025 66 H ASN 8 H ASN 8 -0.507 -8.772 28.246 67 HA ASN 8 HA ASN 8 0.925 -6.565 29.343 68 HB2 ASN 8 HB2 ASN 8 -1.235 -5.460 29.363 69 HB3 ASN 8 HB3 ASN 8 -1.013 -6.356 27.870 70 HD21 ASN 8 HD22 ASN 8 -3.488 -5.823 28.002 71 HD22 ASN 8 HD21 ASN 8 -4.466 -7.092 28.719 72 H GLN 9 H GLN 9 0.333 -9.246 31.098 73 HA GLN 9 HA GLN 9 0.271 -7.685 33.670 74 HB2 GLN 9 HB2 GLN 9 -0.664 -10.530 33.078 75 HB3 GLN 9 HB3 GLN 9 -0.503 -9.841 34.700 76 HG2 GLN 9 HG2 GLN 9 -2.133 -8.065 34.130 77 HG3 GLN 9 HG3 GLN 9 -2.359 -8.768 32.529 78 HE21 GLN 9 HE22 GLN 9 -4.524 -8.380 34.267 79 HE22 GLN 9 HE21 GLN 9 -5.118 -9.973 34.761 80 H ARG 10 H ARG 10 2.275 -9.509 31.563 81 HA ARG 10 HA ARG 10 3.999 -10.583 33.724 82 HB2 ARG 10 HB2 ARG 10 3.230 -12.039 31.841 83 HB3 ARG 10 HB3 ARG 10 4.111 -11.003 30.713 84 HG2 ARG 10 HG2 ARG 10 6.234 -11.532 31.964 85 HG3 ARG 10 HG3 ARG 10 5.302 -12.602 33.026 86 HD2 ARG 10 HD2 ARG 10 4.667 -13.989 31.080 87 HD3 ARG 10 HD3 ARG 10 5.559 -12.894 30.001 88 HE ARG 10 HE ARG 10 7.308 -13.804 32.061 89 HH11 ARG 10 HH21 ARG 10 5.716 -15.125 29.189 90 HH12 ARG 10 HH22 ARG 10 6.956 -16.317 28.939 91 HH21 ARG 10 HH11 ARG 10 8.869 -15.368 31.681 92 HH22 ARG 10 HH12 ARG 10 8.712 -16.453 30.334 93 H LYS 11 H LYS 11 4.642 -8.506 34.399 94 HA LYS 11 HA LYS 11 6.192 -6.911 34.769 95 HB2 LYS 11 HB2 LYS 11 7.774 -8.676 33.916 96 HB3 LYS 11 HB3 LYS 11 7.726 -7.897 32.327 97 HG2 LYS 11 HG2 LYS 11 8.594 -5.800 33.322 98 HG3 LYS 11 HG3 LYS 11 8.606 -6.562 34.926 99 HD2 LYS 11 HD2 LYS 11 10.195 -8.285 34.073 100 HD3 LYS 11 HD3 LYS 11 10.240 -7.472 32.505 101 HE2 LYS 11 HE2 LYS 11 11.055 -6.209 35.169 102 HE3 LYS 11 HE3 LYS 11 12.179 -6.962 34.037 103 HZ1 LYS 11 HZ1 LYS 11 11.531 -5.305 32.377 104 HZ2 LYS 11 HZ2 LYS 11 10.516 -4.579 33.439 105 HZ3 LYS 11 HZ3 LYS 11 12.123 -4.581 33.714 106 H THR 12 H THR 12 5.535 -7.044 31.261 107 HA THR 12 HA THR 12 5.379 -4.090 31.047 108 HB THR 12 HB THR 12 6.465 -5.467 29.280 109 HG1 THR 12 HG1 THR 12 5.585 -4.178 27.702 110 HG21 THR 12 HG21 THR 12 4.815 -7.371 29.221 111 HG22 THR 12 HG22 THR 12 3.614 -6.270 28.517 112 HG23 THR 12 HG23 THR 12 5.111 -6.637 27.637 113 H VAL 13 H VAL 13 3.454 -3.521 29.508 114 HA VAL 13 HA VAL 13 0.831 -4.487 30.206 115 HB VAL 13 HB VAL 13 1.460 -3.382 32.364 116 HG11 VAL 13 HG11 VAL 13 1.391 -0.754 30.828 117 HG12 VAL 13 HG12 VAL 13 1.584 -0.972 32.574 118 HG13 VAL 13 HG13 VAL 13 2.859 -1.521 31.475 119 HG21 VAL 13 HG21 VAL 13 -0.831 -2.006 30.919 120 HG22 VAL 13 HG22 VAL 13 -0.882 -3.614 31.678 121 HG23 VAL 13 HG23 VAL 13 -0.614 -2.180 32.675 122 H LYS 14 H LYS 14 -0.743 -3.617 28.825 123 HA LYS 14 HA LYS 14 0.147 -1.538 26.883 124 HB2 LYS 14 HB2 LYS 14 0.327 -3.873 25.979 125 HB3 LYS 14 HB3 LYS 14 -1.389 -4.103 26.314 126 HG2 LYS 14 HG2 LYS 14 -1.874 -2.137 24.769 127 HG3 LYS 14 HG3 LYS 14 -0.172 -2.162 24.310 128 HD2 LYS 14 HD2 LYS 14 -1.935 -4.628 24.111 129 HD3 LYS 14 HD3 LYS 14 -1.999 -3.403 22.867 130 HE2 LYS 14 HE2 LYS 14 0.592 -4.815 23.658 131 HE3 LYS 14 HE3 LYS 14 -0.514 -5.387 22.405 132 HZ1 LYS 14 HZ1 LYS 14 -0.231 -3.081 21.392 133 HZ2 LYS 14 HZ2 LYS 14 1.089 -2.907 22.336 134 HZ3 LYS 14 HZ3 LYS 14 1.037 -4.117 21.256 135 H CYS 15 H CYS 15 -1.209 0.086 26.516 136 HA CYS 15 HA CYS 15 -3.571 0.601 27.977 137 HB2 CYS 15 HB2 CYS 15 -2.160 2.271 27.032 138 HB3 CYS 15 HB3 CYS 15 -2.482 1.718 25.389 139 H PHE 16 H PHE 16 -5.700 0.291 27.670 140 HA PHE 16 HA PHE 16 -6.661 -1.450 25.510 141 HB2 PHE 16 HB2 PHE 16 -8.132 0.036 27.718 142 HB3 PHE 16 HB3 PHE 16 -8.831 -1.164 26.641 143 HD1 PHE 16 HD2 PHE 16 -5.965 -2.911 27.115 144 HD2 PHE 16 HD1 PHE 16 -9.250 -1.358 29.429 145 HE1 PHE 16 HE2 PHE 16 -5.650 -4.701 28.795 146 HE2 PHE 16 HE1 PHE 16 -8.975 -3.200 31.072 147 HZ PHE 16 HZ PHE 16 -7.148 -4.865 30.760 148 H ASN 17 H ASN 17 -6.531 2.057 26.059 149 HA ASN 17 HA ASN 17 -8.719 2.584 24.173 150 HB2 ASN 17 HB2 ASN 17 -8.378 4.020 26.162 151 HB3 ASN 17 HB3 ASN 17 -6.811 4.520 25.533 152 HD21 ASN 17 HD21 ASN 17 -7.612 6.773 25.520 153 HD22 ASN 17 HD22 ASN 17 -8.633 7.289 24.189 154 H CYS 18 H CYS 18 -5.152 3.240 24.198 155 HA CYS 18 HA CYS 18 -5.349 3.737 21.248 156 HB2 CYS 18 HB2 CYS 18 -3.731 5.276 21.345 157 HB3 CYS 18 HB3 CYS 18 -4.591 5.573 22.835 158 H GLY 19 H GLY 19 -4.344 1.251 23.223 159 HA2 GLY 19 HA2 GLY 19 -3.650 -0.823 22.501 160 HA3 GLY 19 HA3 GLY 19 -3.320 -0.144 20.895 161 H LYS 20 H LYS 20 -1.599 1.553 23.313 162 HA LYS 20 HA LYS 20 0.908 0.258 22.341 163 HB2 LYS 20 HB2 LYS 20 0.331 2.998 23.495 164 HB3 LYS 20 HB3 LYS 20 1.929 2.449 22.971 165 HG2 LYS 20 HG2 LYS 20 1.139 2.211 20.662 166 HG3 LYS 20 HG3 LYS 20 -0.508 2.608 21.156 167 HD2 LYS 20 HD2 LYS 20 0.533 4.844 22.066 168 HD3 LYS 20 HD3 LYS 20 1.918 4.420 21.054 169 HE2 LYS 20 HE2 LYS 20 0.466 5.882 19.797 170 HE3 LYS 20 HE3 LYS 20 0.365 4.267 19.076 171 HZ1 LYS 20 HZ1 LYS 20 -1.593 5.272 21.070 172 HZ2 LYS 20 HZ2 LYS 20 -1.826 5.404 19.440 173 HZ3 LYS 20 HZ3 LYS 20 -1.740 3.933 20.163 174 H GLU 21 H GLU 21 2.527 -0.440 23.606 175 HA GLU 21 HA GLU 21 2.290 -1.234 26.227 176 HB2 GLU 21 HB2 GLU 21 4.712 -0.745 24.515 177 HB3 GLU 21 HB3 GLU 21 4.724 -1.544 26.098 178 HG2 GLU 21 HG2 GLU 21 4.282 -3.385 24.985 179 HG3 GLU 21 HG3 GLU 21 2.640 -2.892 25.013 180 H GLY 22 H GLY 22 3.552 -0.763 28.037 181 HA2 GLY 22 HA2 GLY 22 4.853 0.432 29.539 182 HA3 GLY 22 HA3 GLY 22 4.972 1.770 28.371 183 H HIS 23 H HIS 23 1.701 1.129 28.793 184 HA HIS 23 HA HIS 23 1.285 2.559 31.275 185 HB2 HIS 23 HB2 HIS 23 0.428 4.624 30.408 186 HB3 HIS 23 HB3 HIS 23 1.986 4.389 29.671 187 HD1 HIS 23 HD1 HIS 23 1.953 3.851 26.995 188 HD2 HIS 23 HD2 HIS 23 -1.757 4.592 28.825 189 HE1 HIS 23 HE1 HIS 23 0.294 4.364 25.116 190 H ILE 24 H ILE 24 -1.081 3.300 31.408 191 HA ILE 24 HA ILE 24 -2.993 1.301 30.306 192 HB ILE 24 HB ILE 24 -4.140 1.325 32.509 193 HG12 ILE 24 HG12 ILE 24 -1.679 2.797 33.593 194 HG13 ILE 24 HG13 ILE 24 -3.281 3.496 33.367 195 HG21 ILE 24 HG21 ILE 24 -2.714 -0.293 33.571 196 HG22 ILE 24 HG22 ILE 24 -2.489 -0.447 31.829 197 HG23 ILE 24 HG23 ILE 24 -1.262 0.384 32.803 198 HD11 ILE 24 HD11 ILE 24 -3.021 2.929 35.683 199 HD12 ILE 24 HD12 ILE 24 -4.239 1.851 34.973 200 HD13 ILE 24 HD13 ILE 24 -2.590 1.258 35.297 201 H ALA 25 H ALA 25 -5.234 2.139 30.206 202 HA ALA 25 HA ALA 25 -5.344 4.657 29.083 203 HB1 ALA 25 HB1 ALA 25 -7.797 4.331 29.128 204 HB2 ALA 25 HB2 ALA 25 -6.973 2.813 28.734 205 HB3 ALA 25 HB3 ALA 25 -7.625 3.077 30.371 206 H LYS 26 H LYS 26 -5.685 3.975 32.523 207 HA LYS 26 HA LYS 26 -6.783 6.498 33.374 208 HB2 LYS 26 HB2 LYS 26 -6.540 4.257 34.631 209 HB3 LYS 26 HB3 LYS 26 -4.859 4.701 34.914 210 HG2 LYS 26 HG2 LYS 26 -5.609 6.745 36.118 211 HG3 LYS 26 HG3 LYS 26 -7.297 6.334 35.763 212 HD2 LYS 26 HD2 LYS 26 -6.979 4.171 37.024 213 HD3 LYS 26 HD3 LYS 26 -5.342 4.710 37.453 214 HE2 LYS 26 HE2 LYS 26 -6.331 6.739 38.541 215 HE3 LYS 26 HE3 LYS 26 -7.951 6.154 38.136 216 HZ1 LYS 26 HZ1 LYS 26 -7.343 5.570 40.406 217 HZ2 LYS 26 HZ2 LYS 26 -7.518 4.202 39.530 218 HZ3 LYS 26 HZ3 LYS 26 -6.023 4.751 39.907 219 H ASN 27 H ASN 27 -3.554 5.481 32.541 220 HA ASN 27 HA ASN 27 -2.220 7.964 33.448 221 HB2 ASN 27 HB2 ASN 27 -1.392 5.619 33.890 222 HB3 ASN 27 HB3 ASN 27 -1.169 5.421 32.157 223 HD21 ASN 27 HD22 ASN 27 0.960 4.854 33.528 224 HD22 ASN 27 HD21 ASN 27 2.140 6.141 33.493 225 H CYS 28 H CYS 28 -3.339 6.330 30.537 226 HA CYS 28 HA CYS 28 -1.985 7.624 28.486 227 HB2 CYS 28 HB2 CYS 28 -3.582 5.712 28.300 228 HB3 CYS 28 HB3 CYS 28 -4.916 6.859 28.454 229 H ARG 29 H ARG 29 -2.416 9.259 27.087 230 HA ARG 29 HA ARG 29 -4.130 11.542 27.977 231 HB2 ARG 29 HB2 ARG 29 -1.293 11.566 26.871 232 HB3 ARG 29 HB3 ARG 29 -2.294 13.015 27.041 233 HG2 ARG 29 HG2 ARG 29 -2.472 12.725 29.443 234 HG3 ARG 29 HG3 ARG 29 -1.612 11.190 29.390 235 HD2 ARG 29 HD2 ARG 29 -0.421 13.876 28.611 236 HD3 ARG 29 HD3 ARG 29 -0.209 13.095 30.174 237 HE ARG 29 HE ARG 29 1.202 12.514 27.727 238 HH11 ARG 29 HH21 ARG 29 0.092 10.853 30.661 239 HH12 ARG 29 HH22 ARG 29 1.407 9.725 30.621 240 HH21 ARG 29 HH11 ARG 29 2.830 10.988 27.710 241 HH22 ARG 29 HH12 ARG 29 2.918 9.786 28.961 242 H ALA 30 H ALA 30 -4.033 9.216 25.670 243 HA ALA 30 HA ALA 30 -4.487 10.767 23.244 244 HB1 ALA 30 HB1 ALA 30 -5.171 8.568 22.337 245 HB2 ALA 30 HB2 ALA 30 -3.678 8.397 23.271 246 HB3 ALA 30 HB3 ALA 30 -5.235 7.893 23.967 247 HA PRO 31 HA PRO 31 -8.735 11.887 23.886 248 HB2 PRO 31 HB2 PRO 31 -9.932 11.532 21.426 249 HB3 PRO 31 HB3 PRO 31 -8.806 12.869 21.816 250 HG2 PRO 31 HG2 PRO 31 -8.168 10.230 20.460 251 HG3 PRO 31 HG3 PRO 31 -7.690 11.883 19.950 252 HD2 PRO 31 HD2 PRO 31 -5.987 10.310 21.326 253 HD3 PRO 31 HD3 PRO 31 -6.090 12.054 21.696 254 H ARG 32 H ARG 32 -10.659 11.020 24.508 255 HA ARG 32 HA ARG 32 -10.810 8.047 24.607 256 HB2 ARG 32 HB2 ARG 32 -12.241 10.090 26.325 257 HB3 ARG 32 HB3 ARG 32 -12.179 8.345 26.537 258 HG2 ARG 32 HG2 ARG 32 -9.684 8.495 26.814 259 HG3 ARG 32 HG3 ARG 32 -9.809 10.258 26.734 260 HD2 ARG 32 HD2 ARG 32 -11.320 10.233 28.710 261 HD3 ARG 32 HD3 ARG 32 -11.095 8.494 28.862 262 HE ARG 32 HE ARG 32 -9.304 10.591 29.703 263 HH11 ARG 32 HH21 ARG 32 -9.125 7.229 28.533 264 HH12 ARG 32 HH22 ARG 32 -7.610 6.981 29.380 265 HH21 ARG 32 HH11 ARG 32 -7.315 10.125 30.663 266 HH22 ARG 32 HH12 ARG 32 -6.631 8.533 30.477 267 H LYS 33 H LYS 33 -12.371 6.924 23.815 268 HA LYS 33 HA LYS 33 -13.943 7.918 21.658 269 HB2 LYS 33 HB2 LYS 33 -14.053 5.232 23.112 270 HB3 LYS 33 HB3 LYS 33 -14.745 5.568 21.521 271 HG2 LYS 33 HG2 LYS 33 -12.448 6.155 20.692 272 HG3 LYS 33 HG3 LYS 33 -11.791 5.610 22.247 273 HD2 LYS 33 HD2 LYS 33 -12.823 3.345 21.842 274 HD3 LYS 33 HD3 LYS 33 -13.411 3.933 20.282 275 HE2 LYS 33 HE2 LYS 33 -11.434 2.753 19.759 276 HE3 LYS 33 HE3 LYS 33 -11.002 4.463 19.654 277 HZ1 LYS 33 HZ1 LYS 33 -10.408 2.645 21.927 278 HZ2 LYS 33 HZ2 LYS 33 -9.316 3.234 20.876 279 HZ3 LYS 33 HZ3 LYS 33 -10.042 4.242 21.928 280 H LYS 34 H LYS 34 -16.303 7.090 21.376 281 HA LYS 34 HA LYS 34 -18.023 8.105 23.576 282 HB2 LYS 34 HB2 LYS 34 -18.188 8.762 21.063 283 HB3 LYS 34 HB3 LYS 34 -18.926 7.175 20.824 284 HG2 LYS 34 HG2 LYS 34 -20.729 7.815 22.455 285 HG3 LYS 34 HG3 LYS 34 -19.926 9.375 22.703 286 HD2 LYS 34 HD2 LYS 34 -20.259 9.926 20.309 287 HD3 LYS 34 HD3 LYS 34 -21.040 8.350 20.053 288 HE2 LYS 34 HE2 LYS 34 -22.789 8.953 21.720 289 HE3 LYS 34 HE3 LYS 34 -22.014 10.523 21.967 290 HZ1 LYS 34 HZ1 LYS 34 -22.461 11.036 19.630 291 HZ2 LYS 34 HZ2 LYS 34 -23.178 9.583 19.402 292 HZ3 LYS 34 HZ3 LYS 34 -23.856 10.682 20.402 293 H GLY 35 H GLY 35 -16.519 5.533 23.692 294 HA2 GLY 35 HA2 GLY 35 -18.591 3.697 24.610 295 HA3 GLY 35 HA3 GLY 35 -17.842 3.209 23.095 296 H CYS 36 H CYS 36 -17.733 1.527 24.975 297 HA CYS 36 HA CYS 36 -15.755 1.548 26.988 298 HB2 CYS 36 HB2 CYS 36 -17.704 0.196 26.928 299 HB3 CYS 36 HB3 CYS 36 -17.195 -0.605 25.442 300 H TRP 37 H TRP 37 -13.630 0.936 27.081 301 HA TRP 37 HA TRP 37 -12.189 0.248 24.587 302 HB2 TRP 37 HB2 TRP 37 -11.099 0.466 27.401 303 HB3 TRP 37 HB3 TRP 37 -10.206 0.512 25.889 304 HD1 TRP 37 HD1 TRP 37 -11.673 2.775 24.322 305 HE1 TRP 37 HE1 TRP 37 -11.573 5.217 25.114 306 HE3 TRP 37 HE3 TRP 37 -10.522 2.001 29.246 307 HZ2 TRP 37 HZ2 TRP 37 -11.236 6.622 27.581 308 HZ3 TRP 37 HZ3 TRP 37 -10.428 3.902 30.824 309 HH2 TRP 37 HH2 TRP 37 -10.820 6.229 30.010 310 H LYS 38 H LYS 38 -13.723 -1.487 27.142 311 HA LYS 38 HA LYS 38 -11.885 -3.802 27.090 312 HB2 LYS 38 HB2 LYS 38 -12.652 -2.897 29.180 313 HB3 LYS 38 HB3 LYS 38 -14.337 -3.075 28.740 314 HG2 LYS 38 HG2 LYS 38 -14.030 -5.569 28.707 315 HG3 LYS 38 HG3 LYS 38 -12.368 -5.320 29.295 316 HD2 LYS 38 HD2 LYS 38 -13.279 -4.102 31.280 317 HD3 LYS 38 HD3 LYS 38 -14.927 -4.347 30.665 318 HE2 LYS 38 HE2 LYS 38 -14.545 -6.826 30.760 319 HE3 LYS 38 HE3 LYS 38 -12.964 -6.522 31.503 320 HZ1 LYS 38 HZ1 LYS 38 -15.560 -5.618 32.642 321 HZ2 LYS 38 HZ2 LYS 38 -14.766 -6.962 33.124 322 HZ3 LYS 38 HZ3 LYS 38 -14.097 -5.481 33.363 323 H CYS 39 H CYS 39 -15.249 -3.089 26.073 324 HA CYS 39 HA CYS 39 -15.130 -5.626 24.437 325 HB2 CYS 39 HB2 CYS 39 -17.372 -5.935 24.524 326 HB3 CYS 39 HB3 CYS 39 -16.940 -5.569 26.184 327 H GLY 40 H GLY 40 -15.513 -2.166 24.176 328 HA2 GLY 40 HA2 GLY 40 -14.981 -1.038 22.149 329 HA3 GLY 40 HA3 GLY 40 -15.523 -2.434 21.211 330 H LYS 41 H LYS 41 -18.082 -2.271 23.175 331 HA LYS 41 HA LYS 41 -19.586 -0.764 21.170 332 HB2 LYS 41 HB2 LYS 41 -20.492 -2.359 23.592 333 HB3 LYS 41 HB3 LYS 41 -21.576 -1.557 22.448 334 HG2 LYS 41 HG2 LYS 41 -20.472 -2.887 20.581 335 HG3 LYS 41 HG3 LYS 41 -19.568 -3.764 21.820 336 HD2 LYS 41 HD2 LYS 41 -21.422 -5.114 21.201 337 HD3 LYS 41 HD3 LYS 41 -21.748 -4.491 22.828 338 HE2 LYS 41 HE2 LYS 41 -23.305 -2.833 21.946 339 HE3 LYS 41 HE3 LYS 41 -22.848 -3.228 20.282 340 HZ1 LYS 41 HZ1 LYS 41 -24.250 -5.085 22.148 341 HZ2 LYS 41 HZ2 LYS 41 -24.928 -4.304 20.898 342 HZ3 LYS 41 HZ3 LYS 41 -23.799 -5.441 20.617 343 H GLU 42 H GLU 42 -21.238 0.786 21.625 344 HA GLU 42 HA GLU 42 -20.006 3.046 22.922 345 HB2 GLU 42 HB2 GLU 42 -21.692 4.359 21.833 346 HB3 GLU 42 HB3 GLU 42 -21.025 3.175 20.715 347 HG2 GLU 42 HG2 GLU 42 -23.044 1.729 21.074 348 HG3 GLU 42 HG3 GLU 42 -23.710 2.957 22.154 349 H GLY 43 H GLY 43 -21.236 4.683 24.127 350 HA2 GLY 43 HA2 GLY 43 -22.729 5.511 25.643 351 HA3 GLY 43 HA3 GLY 43 -23.695 4.038 25.441 352 H HIS 44 H HIS 44 -20.543 3.298 26.656 353 HA HIS 44 HA HIS 44 -21.303 3.677 29.466 354 HB2 HIS 44 HB2 HIS 44 -21.377 1.330 30.028 355 HB3 HIS 44 HB3 HIS 44 -22.548 1.639 28.769 356 HD1 HIS 44 HD1 HIS 44 -21.744 0.726 26.215 357 HD2 HIS 44 HD2 HIS 44 -19.530 -0.455 29.582 358 HE1 HIS 44 HE1 HIS 44 -20.336 -1.281 25.498 359 H GLN 45 H GLN 45 -19.688 3.007 31.019 360 HA GLN 45 HA GLN 45 -16.885 3.203 30.011 361 HB2 GLN 45 HB2 GLN 45 -18.114 3.634 32.772 362 HB3 GLN 45 HB3 GLN 45 -16.381 3.577 32.459 363 HG2 GLN 45 HG2 GLN 45 -16.623 5.520 30.887 364 HG3 GLN 45 HG3 GLN 45 -18.322 5.632 31.329 365 HE21 GLN 45 HE22 GLN 45 -16.693 7.926 31.796 366 HE22 GLN 45 HE21 GLN 45 -16.465 8.038 33.526 367 H MET 46 H MET 46 -15.351 1.638 30.600 368 HA MET 46 HA MET 46 -16.393 -0.970 30.599 369 HB2 MET 46 HB2 MET 46 -14.093 -1.686 30.567 370 HB3 MET 46 HB3 MET 46 -14.385 -0.379 29.423 371 HG2 MET 46 HG2 MET 46 -13.270 1.211 30.893 372 HG3 MET 46 HG3 MET 46 -13.153 -0.010 32.167 373 HE1 MET 46 HE1 MET 46 -10.695 1.540 31.598 374 HE2 MET 46 HE2 MET 46 -10.591 0.076 32.597 375 HE3 MET 46 HE3 MET 46 -9.425 0.336 31.287 376 H LYS 47 H LYS 47 -15.860 0.863 33.458 377 HA LYS 47 HA LYS 47 -15.536 -1.503 35.175 378 HB2 LYS 47 HB2 LYS 47 -16.065 0.121 37.030 379 HB3 LYS 47 HB3 LYS 47 -14.588 0.364 36.145 380 HG2 LYS 47 HG2 LYS 47 -15.442 2.228 34.944 381 HG3 LYS 47 HG3 LYS 47 -17.105 1.951 35.533 382 HD2 LYS 47 HD2 LYS 47 -16.325 2.441 37.843 383 HD3 LYS 47 HD3 LYS 47 -14.683 2.708 37.233 384 HE2 LYS 47 HE2 LYS 47 -15.710 4.492 35.692 385 HE3 LYS 47 HE3 LYS 47 -17.202 4.316 36.611 386 HZ1 LYS 47 HZ1 LYS 47 -15.914 4.938 38.618 387 HZ2 LYS 47 HZ2 LYS 47 -14.573 5.176 37.700 388 HZ3 LYS 47 HZ3 LYS 47 -15.889 6.122 37.493 389 H ASP 48 H ASP 48 -18.256 0.165 33.736 390 HA ASP 48 HA ASP 48 -20.249 -1.171 35.469 391 HB2 ASP 48 HB2 ASP 48 -20.648 1.062 34.422 392 HB3 ASP 48 HB3 ASP 48 -20.563 0.310 32.827 393 H CYS 49 H CYS 49 -18.440 -1.775 32.558 394 HA CYS 49 HA CYS 49 -20.086 -3.927 31.507 395 HB2 CYS 49 HB2 CYS 49 -18.676 -2.302 30.227 396 HB3 CYS 49 HB3 CYS 49 -17.243 -3.142 30.802 397 H THR 50 H THR 50 -20.173 -5.906 32.398 398 HA THR 50 HA THR 50 -17.991 -7.069 33.999 399 HB THR 50 HB THR 50 -19.567 -9.056 34.054 400 HG1 THR 50 HG1 THR 50 -21.712 -8.573 33.378 401 HG21 THR 50 HG21 THR 50 -20.714 -6.382 34.990 402 HG22 THR 50 HG22 THR 50 -21.136 -7.991 35.616 403 HG23 THR 50 HG23 THR 50 -19.503 -7.351 35.860 404 H GLU 51 H GLU 51 -19.797 -8.305 31.239 405 HA GLU 51 HA GLU 51 -17.394 -8.817 29.630 406 HB2 GLU 51 HB2 GLU 51 -17.814 -11.155 29.408 407 HB3 GLU 51 HB3 GLU 51 -17.818 -10.766 31.139 408 HG2 GLU 51 HG2 GLU 51 -20.314 -10.771 31.123 409 HG3 GLU 51 HG3 GLU 51 -20.284 -11.265 29.426 410 H ARG 52 H ARG 52 -17.948 -9.347 27.362 411 HA ARG 52 HA ARG 52 -20.136 -7.769 26.395 412 HB2 ARG 52 HB2 ARG 52 -17.999 -8.019 25.208 413 HB3 ARG 52 HB3 ARG 52 -18.313 -9.728 24.959 414 HG2 ARG 52 HG2 ARG 52 -18.742 -8.524 22.940 415 HG3 ARG 52 HG3 ARG 52 -20.262 -9.185 23.520 416 HD2 ARG 52 HD2 ARG 52 -19.439 -6.306 24.076 417 HD3 ARG 52 HD3 ARG 52 -20.172 -6.777 22.554 418 HE ARG 52 HE ARG 52 -22.140 -7.625 23.840 419 HH11 ARG 52 HH21 ARG 52 -20.167 -5.098 25.435 420 HH12 ARG 52 HH22 ARG 52 -21.522 -4.587 26.388 421 HH21 ARG 52 HH11 ARG 52 -23.858 -6.513 24.739 422 HH22 ARG 52 HH12 ARG 52 -23.558 -5.422 26.055 423 H GLN 53 H GLN 53 -22.153 -8.394 26.746 424 HA GLN 53 HA GLN 53 -23.101 -11.177 26.446 425 HB2 GLN 53 HB2 GLN 53 -24.547 -8.544 27.001 426 HB3 GLN 53 HB3 GLN 53 -25.327 -10.127 26.937 427 HG2 GLN 53 HG2 GLN 53 -23.885 -10.925 28.806 428 HG3 GLN 53 HG3 GLN 53 -23.161 -9.319 28.926 429 HE21 GLN 53 HE22 GLN 53 -24.573 -7.488 29.627 430 HE22 GLN 53 HE21 GLN 53 -26.034 -7.860 30.531 431 H ALA 54 H ALA 54 -25.011 -11.599 24.999 432 HA ALA 54 HA ALA 54 -24.437 -10.931 22.269 433 HB1 ALA 54 HB1 ALA 54 -26.889 -12.232 23.547 434 HB2 ALA 54 HB2 ALA 54 -26.447 -12.295 21.828 435 HB3 ALA 54 HB3 ALA 54 -25.410 -13.080 23.031 436 H ASN 55 H ASN 55 -26.114 -9.133 24.591 437 HA ASN 55 HA ASN 55 -28.025 -7.672 22.980 438 HB2 ASN 55 HB2 ASN 55 -28.216 -7.819 25.417 439 HB3 ASN 55 HB3 ASN 55 -26.628 -7.082 25.619 440 HD21 ASN 55 HD22 ASN 55 -26.417 -4.834 24.588 441 HD22 ASN 55 HD21 ASN 55 -27.785 -3.754 24.889 442 H9 1HF 103 H9 1HF 58 -9.751 4.201 36.116 443 H12 1HF 103 H12 1HF 58 -8.956 6.274 31.409 444 H4 1HF 103 H4 1HF 58 -6.093 -2.763 33.963 445 H6 1HF 103 H6 1HF 58 -3.046 -5.351 32.295 446 H7 1HF 103 H7 1HF 58 -2.872 -3.850 30.285 447 H1 1HF 103 H1 1HF 58 -3.945 -1.633 29.177 448 H8 1HF 103 H8 1HF 58 -8.053 -0.216 36.101 449 H11 1HF 103 H11 1HF 58 -10.146 7.968 33.208 450 H10 1HF 103 H10 1HF 58 -10.364 6.446 35.506 451 H9 1HF 104 H9 1HF 59 -12.065 2.413 36.932 452 H12 1HF 104 H12 1HF 59 -12.599 -1.787 33.907 453 H4 1HF 104 H4 1HF 59 -14.414 7.131 30.783 454 H6 1HF 104 H6 1HF 59 -14.830 8.791 26.812 455 H7 1HF 104 H7 1HF 59 -14.424 6.535 25.821 456 H1 1HF 104 H1 1HF 59 -14.347 3.872 26.503 457 H8 1HF 104 H8 1HF 59 -13.458 6.133 34.323 458 H11 1HF 104 H11 1HF 59 -11.895 -2.344 36.513 459 H10 1HF 104 H10 1HF 59 -11.677 0.163 37.678 Start of MODEL 9 1 H1 ILE 1 H1 ILE 1 -1.894 -16.934 30.884 2 H2 ILE 1 H2 ILE 1 -1.036 -16.667 29.523 3 H3 ILE 1 H3 ILE 1 -2.056 -17.942 29.599 4 HA ILE 1 HA ILE 1 -2.975 -16.157 28.263 5 HB ILE 1 HB ILE 1 -4.453 -17.727 29.482 6 HG12 ILE 1 HG13 ILE 1 -6.472 -16.540 29.350 7 HG13 ILE 1 HG12 ILE 1 -5.703 -14.937 29.275 8 HG21 ILE 1 HG21 ILE 1 -3.927 -17.120 31.836 9 HG22 ILE 1 HG22 ILE 1 -4.737 -15.553 31.608 10 HG23 ILE 1 HG23 ILE 1 -5.655 -17.062 31.502 11 HD11 ILE 1 HD11 ILE 1 -4.708 -15.520 27.079 12 HD12 ILE 1 HD12 ILE 1 -5.455 -17.133 27.169 13 HD13 ILE 1 HD13 ILE 1 -6.471 -15.682 27.061 14 H GLN 2 H GLN 2 -3.735 -13.968 28.082 15 HA GLN 2 HA GLN 2 -3.211 -12.090 30.303 16 HB2 GLN 2 HB2 GLN 2 -2.089 -11.799 27.474 17 HB3 GLN 2 HB3 GLN 2 -2.190 -10.482 28.646 18 HG2 GLN 2 HG2 GLN 2 -0.675 -11.711 30.180 19 HG3 GLN 2 HG3 GLN 2 -0.532 -13.013 28.992 20 HE21 GLN 2 HE22 GLN 2 0.691 -12.608 27.001 21 HE22 GLN 2 HE21 GLN 2 1.708 -11.185 26.883 22 H LYS 3 H LYS 3 -4.438 -10.099 30.047 23 HA LYS 3 HA LYS 3 -6.993 -10.353 28.752 24 HB2 LYS 3 HB2 LYS 3 -5.509 -7.958 29.911 25 HB3 LYS 3 HB3 LYS 3 -7.171 -7.891 29.322 26 HG2 LYS 3 HG2 LYS 3 -7.864 -9.577 30.979 27 HG3 LYS 3 HG3 LYS 3 -6.201 -9.690 31.585 28 HD2 LYS 3 HD2 LYS 3 -6.251 -7.285 32.197 29 HD3 LYS 3 HD3 LYS 3 -7.919 -7.166 31.591 30 HE2 LYS 3 HE2 LYS 3 -8.639 -8.873 33.256 31 HE3 LYS 3 HE3 LYS 3 -6.977 -8.989 33.853 32 HZ1 LYS 3 HZ1 LYS 3 -7.108 -6.626 34.462 33 HZ2 LYS 3 HZ2 LYS 3 -8.667 -6.553 33.965 34 HZ3 LYS 3 HZ3 LYS 3 -8.261 -7.496 35.239 35 H GLY 4 H GLY 4 -3.962 -9.158 27.519 36 HA2 GLY 4 HA2 GLY 4 -5.228 -8.195 24.965 37 HA3 GLY 4 HA3 GLY 4 -3.625 -7.726 25.553 38 H ASN 5 H ASN 5 -4.156 -8.740 22.977 39 HA ASN 5 HA ASN 5 -3.446 -11.517 22.715 40 HB2 ASN 5 HB2 ASN 5 -4.652 -10.249 20.993 41 HB3 ASN 5 HB3 ASN 5 -3.273 -9.170 20.774 42 HD21 ASN 5 HD22 ASN 5 -1.645 -9.793 19.301 43 HD22 ASN 5 HD21 ASN 5 -1.617 -11.372 18.541 44 H PHE 6 H PHE 6 -1.526 -8.537 22.688 45 HA PHE 6 HA PHE 6 1.058 -9.974 22.347 46 HB2 PHE 6 HB2 PHE 6 0.454 -6.991 22.501 47 HB3 PHE 6 HB3 PHE 6 1.956 -7.739 21.976 48 HD1 PHE 6 HD1 PHE 6 2.017 -9.095 19.830 49 HD2 PHE 6 HD2 PHE 6 -1.377 -6.677 20.944 50 HE1 PHE 6 HE1 PHE 6 1.200 -9.154 17.486 51 HE2 PHE 6 HE2 PHE 6 -2.191 -6.741 18.602 52 HZ PHE 6 HZ PHE 6 -0.904 -7.978 16.868 53 H ARG 7 H ARG 7 2.751 -8.299 23.849 54 HA ARG 7 HA ARG 7 2.382 -9.078 26.600 55 HB2 ARG 7 HB2 ARG 7 4.004 -6.787 25.418 56 HB3 ARG 7 HB3 ARG 7 3.973 -7.250 27.123 57 HG2 ARG 7 HG2 ARG 7 4.832 -9.527 26.500 58 HG3 ARG 7 HG3 ARG 7 5.041 -8.933 24.830 59 HD2 ARG 7 HD2 ARG 7 6.458 -7.068 25.707 60 HD3 ARG 7 HD3 ARG 7 6.254 -7.708 27.350 61 HE ARG 7 HE ARG 7 7.322 -9.753 25.676 62 HH11 ARG 7 HH11 ARG 7 8.315 -6.699 27.182 63 HH12 ARG 7 HH12 ARG 7 9.994 -7.156 27.212 64 HH21 ARG 7 HH21 ARG 7 9.516 -10.282 25.763 65 HH22 ARG 7 HH22 ARG 7 10.660 -9.160 26.431 66 H ASN 8 H ASN 8 1.056 -8.320 28.041 67 HA ASN 8 HA ASN 8 0.016 -5.529 27.997 68 HB2 ASN 8 HB2 ASN 8 -1.521 -6.846 26.605 69 HB3 ASN 8 HB3 ASN 8 -1.665 -8.076 27.864 70 HD21 ASN 8 HD22 ASN 8 -2.309 -4.564 27.222 71 HD22 ASN 8 HD21 ASN 8 -3.619 -4.471 28.368 72 H GLN 9 H GLN 9 0.617 -8.519 29.732 73 HA GLN 9 HA GLN 9 0.448 -7.064 32.343 74 HB2 GLN 9 HB2 GLN 9 -0.511 -9.921 31.848 75 HB3 GLN 9 HB3 GLN 9 -0.572 -9.020 33.365 76 HG2 GLN 9 HG2 GLN 9 -2.157 -7.391 32.269 77 HG3 GLN 9 HG3 GLN 9 -2.168 -8.418 30.832 78 HE21 GLN 9 HE22 GLN 9 -3.453 -8.022 34.063 79 HE22 GLN 9 HE21 GLN 9 -4.405 -9.513 34.050 80 H ARG 10 H ARG 10 1.780 -9.776 30.420 81 HA ARG 10 HA ARG 10 3.908 -10.364 32.348 82 HB2 ARG 10 HB2 ARG 10 2.767 -12.135 31.090 83 HB3 ARG 10 HB3 ARG 10 3.296 -11.426 29.558 84 HG2 ARG 10 HG2 ARG 10 5.632 -11.877 30.092 85 HG3 ARG 10 HG3 ARG 10 5.196 -12.428 31.725 86 HD2 ARG 10 HD2 ARG 10 3.896 -14.292 30.745 87 HD3 ARG 10 HD3 ARG 10 4.310 -13.754 29.119 88 HE ARG 10 HE ARG 10 6.023 -15.147 31.063 89 HH11 ARG 10 HH21 ARG 10 6.063 -13.353 28.008 90 HH12 ARG 10 HH22 ARG 10 7.593 -14.029 27.534 91 HH21 ARG 10 HH11 ARG 10 7.982 -15.973 30.387 92 HH22 ARG 10 HH12 ARG 10 8.662 -15.490 28.863 93 H LYS 11 H LYS 11 5.669 -9.229 32.440 94 HA LYS 11 HA LYS 11 7.563 -8.077 32.059 95 HB2 LYS 11 HB2 LYS 11 7.246 -9.071 29.196 96 HB3 LYS 11 HB3 LYS 11 8.681 -8.288 29.830 97 HG2 LYS 11 HG2 LYS 11 7.557 -10.921 30.871 98 HG3 LYS 11 HG3 LYS 11 8.873 -10.741 29.711 99 HD2 LYS 11 HD2 LYS 11 10.184 -9.472 31.465 100 HD3 LYS 11 HD3 LYS 11 8.869 -9.778 32.606 101 HE2 LYS 11 HE2 LYS 11 10.496 -11.417 33.075 102 HE3 LYS 11 HE3 LYS 11 9.177 -12.251 32.250 103 HZ1 LYS 11 HZ1 LYS 11 11.724 -11.382 30.983 104 HZ2 LYS 11 HZ2 LYS 11 11.357 -12.915 31.402 105 HZ3 LYS 11 HZ3 LYS 11 10.522 -12.179 30.208 106 H THR 12 H THR 12 5.047 -7.118 29.756 107 HA THR 12 HA THR 12 5.807 -4.265 30.143 108 HB THR 12 HB THR 12 5.197 -5.432 27.398 109 HG1 THR 12 HG1 THR 12 7.699 -4.653 28.488 110 HG21 THR 12 HG21 THR 12 4.691 -3.060 27.514 111 HG22 THR 12 HG22 THR 12 6.260 -2.718 28.286 112 HG23 THR 12 HG23 THR 12 6.189 -3.289 26.605 113 H VAL 13 H VAL 13 4.052 -2.900 30.154 114 HA VAL 13 HA VAL 13 1.347 -4.136 30.096 115 HB VAL 13 HB VAL 13 2.145 -2.996 32.185 116 HG11 VAL 13 HG11 VAL 13 3.308 -1.040 31.158 117 HG12 VAL 13 HG12 VAL 13 1.733 -0.402 30.640 118 HG13 VAL 13 HG13 VAL 13 2.100 -0.571 32.364 119 HG21 VAL 13 HG21 VAL 13 0.017 -1.911 32.661 120 HG22 VAL 13 HG22 VAL 13 -0.376 -1.868 30.928 121 HG23 VAL 13 HG23 VAL 13 -0.218 -3.421 31.779 122 H LYS 14 H LYS 14 -0.350 -3.166 28.863 123 HA LYS 14 HA LYS 14 0.460 -1.167 26.813 124 HB2 LYS 14 HB2 LYS 14 0.913 -3.524 26.097 125 HB3 LYS 14 HB3 LYS 14 -0.793 -3.889 26.288 126 HG2 LYS 14 HG2 LYS 14 -1.329 -2.222 24.492 127 HG3 LYS 14 HG3 LYS 14 0.414 -1.959 24.275 128 HD2 LYS 14 HD2 LYS 14 0.703 -4.394 23.747 129 HD3 LYS 14 HD3 LYS 14 -1.024 -4.638 24.020 130 HE2 LYS 14 HE2 LYS 14 -0.987 -4.505 21.723 131 HE3 LYS 14 HE3 LYS 14 -1.381 -2.845 22.164 132 HZ1 LYS 14 HZ1 LYS 14 0.329 -2.825 20.514 133 HZ2 LYS 14 HZ2 LYS 14 1.064 -2.355 21.890 134 HZ3 LYS 14 HZ3 LYS 14 1.280 -3.873 21.334 135 H CYS 15 H CYS 15 -1.016 0.317 26.328 136 HA CYS 15 HA CYS 15 -3.369 0.680 27.835 137 HB2 CYS 15 HB2 CYS 15 -2.022 2.419 26.875 138 HB3 CYS 15 HB3 CYS 15 -2.426 1.907 25.238 139 H PHE 16 H PHE 16 -5.505 0.344 27.552 140 HA PHE 16 HA PHE 16 -6.485 -1.328 25.331 141 HB2 PHE 16 HB2 PHE 16 -7.990 0.023 27.599 142 HB3 PHE 16 HB3 PHE 16 -8.605 -1.208 26.505 143 HD1 PHE 16 HD2 PHE 16 -5.824 -2.953 26.911 144 HD2 PHE 16 HD1 PHE 16 -8.966 -1.307 29.356 145 HE1 PHE 16 HE2 PHE 16 -5.524 -4.783 28.571 146 HE2 PHE 16 HE1 PHE 16 -8.667 -3.140 30.998 147 HZ PHE 16 HZ PHE 16 -6.918 -4.875 30.608 148 H ASN 17 H ASN 17 -6.409 2.133 26.130 149 HA ASN 17 HA ASN 17 -8.690 2.810 24.421 150 HB2 ASN 17 HB2 ASN 17 -8.209 4.120 26.454 151 HB3 ASN 17 HB3 ASN 17 -6.637 4.570 25.818 152 HD21 ASN 17 HD21 ASN 17 -6.902 6.820 25.557 153 HD22 ASN 17 HD22 ASN 17 -8.090 7.489 24.454 154 H CYS 18 H CYS 18 -5.140 3.458 24.257 155 HA CYS 18 HA CYS 18 -5.491 4.066 21.338 156 HB2 CYS 18 HB2 CYS 18 -3.911 5.663 21.426 157 HB3 CYS 18 HB3 CYS 18 -4.745 5.889 22.944 158 H GLY 19 H GLY 19 -4.317 1.576 23.208 159 HA2 GLY 19 HA2 GLY 19 -3.563 -0.447 22.394 160 HA3 GLY 19 HA3 GLY 19 -3.286 0.301 20.810 161 H LYS 20 H LYS 20 -1.582 1.965 23.287 162 HA LYS 20 HA LYS 20 0.942 0.792 22.201 163 HB2 LYS 20 HB2 LYS 20 0.311 3.476 23.444 164 HB3 LYS 20 HB3 LYS 20 1.911 2.992 22.859 165 HG2 LYS 20 HG2 LYS 20 1.057 2.789 20.564 166 HG3 LYS 20 HG3 LYS 20 -0.585 3.121 21.121 167 HD2 LYS 20 HD2 LYS 20 0.405 5.364 22.061 168 HD3 LYS 20 HD3 LYS 20 1.778 5.013 21.004 169 HE2 LYS 20 HE2 LYS 20 0.246 6.459 19.825 170 HE3 LYS 20 HE3 LYS 20 0.181 4.862 19.062 171 HZ1 LYS 20 HZ1 LYS 20 -2.036 5.918 19.512 172 HZ2 LYS 20 HZ2 LYS 20 -1.886 4.427 20.180 173 HZ3 LYS 20 HZ3 LYS 20 -1.759 5.737 21.130 174 H GLU 21 H GLU 21 2.590 0.061 23.392 175 HA GLU 21 HA GLU 21 2.478 -0.787 25.999 176 HB2 GLU 21 HB2 GLU 21 4.804 -0.213 24.187 177 HB3 GLU 21 HB3 GLU 21 4.916 -1.025 25.760 178 HG2 GLU 21 HG2 GLU 21 4.478 -2.862 24.632 179 HG3 GLU 21 HG3 GLU 21 2.828 -2.434 24.781 180 H GLY 22 H GLY 22 3.727 -0.316 27.802 181 HA2 GLY 22 HA2 GLY 22 5.058 0.873 29.289 182 HA3 GLY 22 HA3 GLY 22 5.127 2.234 28.145 183 H HIS 23 H HIS 23 1.890 1.424 28.708 184 HA HIS 23 HA HIS 23 1.455 2.883 31.161 185 HB2 HIS 23 HB2 HIS 23 0.538 4.904 30.299 186 HB3 HIS 23 HB3 HIS 23 2.074 4.719 29.516 187 HD1 HIS 23 HD1 HIS 23 1.987 4.364 26.853 188 HD2 HIS 23 HD2 HIS 23 -1.725 4.686 28.808 189 HE1 HIS 23 HE1 HIS 23 0.240 4.853 25.047 190 H ILE 24 H ILE 24 -0.993 3.491 31.325 191 HA ILE 24 HA ILE 24 -2.745 1.420 30.090 192 HB ILE 24 HB ILE 24 -3.931 1.148 32.232 193 HG12 ILE 24 HG12 ILE 24 -1.615 2.588 33.596 194 HG13 ILE 24 HG13 ILE 24 -3.196 3.309 33.308 195 HG21 ILE 24 HG21 ILE 24 -2.110 -0.408 31.447 196 HG22 ILE 24 HG22 ILE 24 -1.001 0.407 32.563 197 HG23 ILE 24 HG23 ILE 24 -2.424 -0.460 33.183 198 HD11 ILE 24 HD11 ILE 24 -2.648 0.877 35.049 199 HD12 ILE 24 HD12 ILE 24 -3.099 2.502 35.580 200 HD13 ILE 24 HD13 ILE 24 -4.266 1.520 34.671 201 H ALA 25 H ALA 25 -5.047 2.074 30.060 202 HA ALA 25 HA ALA 25 -5.341 4.640 29.110 203 HB1 ALA 25 HB1 ALA 25 -6.874 2.731 28.682 204 HB2 ALA 25 HB2 ALA 25 -7.499 2.856 30.345 205 HB3 ALA 25 HB3 ALA 25 -7.770 4.173 29.188 206 H LYS 26 H LYS 26 -5.567 3.711 32.507 207 HA LYS 26 HA LYS 26 -6.859 6.025 33.561 208 HB2 LYS 26 HB2 LYS 26 -6.373 3.789 34.677 209 HB3 LYS 26 HB3 LYS 26 -4.708 4.335 34.898 210 HG2 LYS 26 HG2 LYS 26 -5.493 6.232 36.266 211 HG3 LYS 26 HG3 LYS 26 -7.180 5.769 35.971 212 HD2 LYS 26 HD2 LYS 26 -6.753 3.574 37.074 213 HD3 LYS 26 HD3 LYS 26 -5.096 4.071 37.430 214 HE2 LYS 26 HE2 LYS 26 -7.616 5.509 38.405 215 HE3 LYS 26 HE3 LYS 26 -6.726 4.307 39.343 216 HZ1 LYS 26 HZ1 LYS 26 -6.054 6.531 39.961 217 HZ2 LYS 26 HZ2 LYS 26 -4.784 5.771 39.274 218 HZ3 LYS 26 HZ3 LYS 26 -5.618 6.905 38.435 219 H ASN 27 H ASN 27 -3.453 5.525 32.672 220 HA ASN 27 HA ASN 27 -2.879 8.371 33.352 221 HB2 ASN 27 HB2 ASN 27 -0.582 7.717 33.808 222 HB3 ASN 27 HB3 ASN 27 -1.755 6.896 34.830 223 HD21 ASN 27 HD22 ASN 27 -0.197 5.274 35.390 224 HD22 ASN 27 HD21 ASN 27 0.233 4.029 34.235 225 H CYS 28 H CYS 28 -3.580 6.574 30.735 226 HA CYS 28 HA CYS 28 -1.857 7.417 28.674 227 HB2 CYS 28 HB2 CYS 28 -3.671 5.791 28.439 228 HB3 CYS 28 HB3 CYS 28 -4.873 7.054 28.712 229 H ARG 29 H ARG 29 -1.884 9.096 27.218 230 HA ARG 29 HA ARG 29 -3.037 11.694 28.118 231 HB2 ARG 29 HB2 ARG 29 -0.530 11.302 27.952 232 HB3 ARG 29 HB3 ARG 29 -0.759 11.261 26.201 233 HG2 ARG 29 HG2 ARG 29 -1.587 13.599 26.247 234 HG3 ARG 29 HG3 ARG 29 -1.562 13.581 28.017 235 HD2 ARG 29 HD2 ARG 29 0.362 14.787 27.251 236 HD3 ARG 29 HD3 ARG 29 0.911 13.256 27.950 237 HE ARG 29 HE ARG 29 0.494 13.035 25.095 238 HH11 ARG 29 HH21 ARG 29 2.848 14.324 27.400 239 HH12 ARG 29 HH22 ARG 29 4.163 14.192 26.271 240 HH21 ARG 29 HH11 ARG 29 2.236 12.880 23.690 241 HH22 ARG 29 HH12 ARG 29 3.816 13.391 24.200 242 H ALA 30 H ALA 30 -3.634 9.285 25.766 243 HA ALA 30 HA ALA 30 -4.192 11.030 23.491 244 HB1 ALA 30 HB1 ALA 30 -3.357 8.680 23.272 245 HB2 ALA 30 HB2 ALA 30 -4.881 8.098 23.979 246 HB3 ALA 30 HB3 ALA 30 -4.890 8.921 22.418 247 HA PRO 31 HA PRO 31 -8.524 11.860 24.350 248 HB2 PRO 31 HB2 PRO 31 -9.692 11.773 21.865 249 HB3 PRO 31 HB3 PRO 31 -8.639 13.111 22.419 250 HG2 PRO 31 HG2 PRO 31 -7.863 10.701 20.744 251 HG3 PRO 31 HG3 PRO 31 -7.492 12.429 20.436 252 HD2 PRO 31 HD2 PRO 31 -5.688 10.797 21.611 253 HD3 PRO 31 HD3 PRO 31 -5.876 12.483 22.169 254 H ARG 32 H ARG 32 -10.496 10.781 24.627 255 HA ARG 32 HA ARG 32 -10.248 7.819 24.549 256 HB2 ARG 32 HB2 ARG 32 -12.147 9.485 26.186 257 HB3 ARG 32 HB3 ARG 32 -11.776 7.765 26.316 258 HG2 ARG 32 HG2 ARG 32 -9.411 8.326 26.879 259 HG3 ARG 32 HG3 ARG 32 -9.835 10.046 26.883 260 HD2 ARG 32 HD2 ARG 32 -11.488 9.661 28.666 261 HD3 ARG 32 HD3 ARG 32 -11.080 7.949 28.718 262 HE ARG 32 HE ARG 32 -9.692 10.108 29.984 263 HH11 ARG 32 HH21 ARG 32 -8.881 7.026 28.405 264 HH12 ARG 32 HH22 ARG 32 -7.489 6.810 29.446 265 HH21 ARG 32 HH11 ARG 32 -7.823 9.716 31.202 266 HH22 ARG 32 HH12 ARG 32 -6.924 8.241 30.924 267 H LYS 33 H LYS 33 -11.581 6.495 23.660 268 HA LYS 33 HA LYS 33 -13.085 7.199 21.378 269 HB2 LYS 33 HB2 LYS 33 -13.029 4.644 23.048 270 HB3 LYS 33 HB3 LYS 33 -13.807 4.766 21.464 271 HG2 LYS 33 HG2 LYS 33 -11.682 5.419 20.416 272 HG3 LYS 33 HG3 LYS 33 -10.861 5.335 21.982 273 HD2 LYS 33 HD2 LYS 33 -11.300 2.940 22.142 274 HD3 LYS 33 HD3 LYS 33 -12.231 2.972 20.627 275 HE2 LYS 33 HE2 LYS 33 -10.258 3.650 19.361 276 HE3 LYS 33 HE3 LYS 33 -9.318 3.849 20.844 277 HZ1 LYS 33 HZ1 LYS 33 -9.471 1.473 21.221 278 HZ2 LYS 33 HZ2 LYS 33 -10.388 1.255 19.876 279 HZ3 LYS 33 HZ3 LYS 33 -8.833 1.744 19.746 280 H LYS 34 H LYS 34 -15.342 6.467 20.873 281 HA LYS 34 HA LYS 34 -17.248 7.762 22.698 282 HB2 LYS 34 HB2 LYS 34 -17.588 6.551 19.919 283 HB3 LYS 34 HB3 LYS 34 -18.823 7.470 20.791 284 HG2 LYS 34 HG2 LYS 34 -17.274 9.439 20.875 285 HG3 LYS 34 HG3 LYS 34 -16.140 8.563 19.840 286 HD2 LYS 34 HD2 LYS 34 -19.009 9.299 19.110 287 HD3 LYS 34 HD3 LYS 34 -17.552 10.156 18.584 288 HE2 LYS 34 HE2 LYS 34 -16.747 8.083 17.448 289 HE3 LYS 34 HE3 LYS 34 -18.230 7.249 17.932 290 HZ1 LYS 34 HZ1 LYS 34 -18.402 8.109 15.677 291 HZ2 LYS 34 HZ2 LYS 34 -19.491 8.869 16.626 292 HZ3 LYS 34 HZ3 LYS 34 -18.120 9.638 16.174 293 H GLY 35 H GLY 35 -16.075 5.149 23.488 294 HA2 GLY 35 HA2 GLY 35 -18.338 3.871 24.654 295 HA3 GLY 35 HA3 GLY 35 -17.898 2.986 23.208 296 H CYS 36 H CYS 36 -17.799 1.457 25.081 297 HA CYS 36 HA CYS 36 -15.777 1.285 27.030 298 HB2 CYS 36 HB2 CYS 36 -17.796 0.049 27.058 299 HB3 CYS 36 HB3 CYS 36 -17.423 -0.741 25.527 300 H TRP 37 H TRP 37 -13.699 0.576 27.059 301 HA TRP 37 HA TRP 37 -12.344 -0.142 24.550 302 HB2 TRP 37 HB2 TRP 37 -11.255 -0.095 27.380 303 HB3 TRP 37 HB3 TRP 37 -10.349 -0.110 25.869 304 HD1 TRP 37 HD1 TRP 37 -11.530 2.208 24.272 305 HE1 TRP 37 HE1 TRP 37 -11.176 4.648 25.002 306 HE3 TRP 37 HE3 TRP 37 -10.654 1.467 29.264 307 HZ2 TRP 37 HZ2 TRP 37 -10.807 6.085 27.437 308 HZ3 TRP 37 HZ3 TRP 37 -10.410 3.408 30.789 309 HH2 TRP 37 HH2 TRP 37 -10.526 5.728 29.891 310 H LYS 38 H LYS 38 -13.962 -1.946 27.025 311 HA LYS 38 HA LYS 38 -12.226 -4.330 26.705 312 HB2 LYS 38 HB2 LYS 38 -12.746 -3.514 28.914 313 HB3 LYS 38 HB3 LYS 38 -14.474 -3.702 28.672 314 HG2 LYS 38 HG2 LYS 38 -14.303 -6.100 28.597 315 HG3 LYS 38 HG3 LYS 38 -12.551 -6.044 28.388 316 HD2 LYS 38 HD2 LYS 38 -13.176 -6.750 30.664 317 HD3 LYS 38 HD3 LYS 38 -12.194 -5.292 30.636 318 HE2 LYS 38 HE2 LYS 38 -13.909 -5.081 32.324 319 HE3 LYS 38 HE3 LYS 38 -14.167 -3.888 31.062 320 HZ1 LYS 38 HZ1 LYS 38 -16.225 -5.033 31.771 321 HZ2 LYS 38 HZ2 LYS 38 -15.953 -5.249 30.177 322 HZ3 LYS 38 HZ3 LYS 38 -15.636 -6.460 31.245 323 H CYS 39 H CYS 39 -15.588 -3.394 25.980 324 HA CYS 39 HA CYS 39 -15.746 -5.892 24.276 325 HB2 CYS 39 HB2 CYS 39 -18.019 -6.028 24.477 326 HB3 CYS 39 HB3 CYS 39 -17.452 -5.741 26.114 327 H GLY 40 H GLY 40 -15.894 -2.404 24.125 328 HA2 GLY 40 HA2 GLY 40 -15.400 -1.244 22.107 329 HA3 GLY 40 HA3 GLY 40 -16.088 -2.568 21.156 330 H LYS 41 H LYS 41 -18.527 -2.356 23.236 331 HA LYS 41 HA LYS 41 -20.045 -0.658 21.424 332 HB2 LYS 41 HB2 LYS 41 -20.767 -2.385 23.803 333 HB3 LYS 41 HB3 LYS 41 -21.934 -1.282 23.074 334 HG2 LYS 41 HG2 LYS 41 -21.488 -2.342 20.830 335 HG3 LYS 41 HG3 LYS 41 -20.424 -3.502 21.629 336 HD2 LYS 41 HD2 LYS 41 -22.638 -4.467 21.238 337 HD3 LYS 41 HD3 LYS 41 -22.269 -4.365 22.957 338 HE2 LYS 41 HE2 LYS 41 -24.620 -3.781 22.465 339 HE3 LYS 41 HE3 LYS 41 -23.756 -2.460 23.248 340 HZ1 LYS 41 HZ1 LYS 41 -25.157 -1.767 21.343 341 HZ2 LYS 41 HZ2 LYS 41 -23.610 -1.308 21.153 342 HZ3 LYS 41 HZ3 LYS 41 -24.198 -2.600 20.316 343 H GLU 42 H GLU 42 -21.641 0.839 22.105 344 HA GLU 42 HA GLU 42 -20.318 3.130 23.351 345 HB2 GLU 42 HB2 GLU 42 -22.145 4.395 22.353 346 HB3 GLU 42 HB3 GLU 42 -21.344 3.381 21.171 347 HG2 GLU 42 HG2 GLU 42 -23.926 2.477 22.516 348 HG3 GLU 42 HG3 GLU 42 -23.934 3.587 21.157 349 H GLY 43 H GLY 43 -21.709 4.701 24.588 350 HA2 GLY 43 HA2 GLY 43 -23.237 5.358 26.157 351 HA3 GLY 43 HA3 GLY 43 -24.049 3.792 25.976 352 H HIS 44 H HIS 44 -20.836 3.239 26.968 353 HA HIS 44 HA HIS 44 -21.346 3.555 29.834 354 HB2 HIS 44 HB2 HIS 44 -21.386 1.207 30.365 355 HB3 HIS 44 HB3 HIS 44 -22.643 1.511 29.193 356 HD1 HIS 44 HD1 HIS 44 -21.935 0.671 26.558 357 HD2 HIS 44 HD2 HIS 44 -19.616 -0.601 29.816 358 HE1 HIS 44 HE1 HIS 44 -20.580 -1.335 25.748 359 H GLN 45 H GLN 45 -19.593 2.835 31.206 360 HA GLN 45 HA GLN 45 -16.882 3.001 29.959 361 HB2 GLN 45 HB2 GLN 45 -17.891 3.376 32.820 362 HB3 GLN 45 HB3 GLN 45 -16.187 3.272 32.390 363 HG2 GLN 45 HG2 GLN 45 -16.463 5.268 30.891 364 HG3 GLN 45 HG3 GLN 45 -18.131 5.416 31.434 365 HE21 GLN 45 HE22 GLN 45 -16.422 7.653 31.847 366 HE22 GLN 45 HE21 GLN 45 -16.095 7.725 33.565 367 H MET 46 H MET 46 -15.299 1.369 30.520 368 HA MET 46 HA MET 46 -16.426 -1.197 30.411 369 HB2 MET 46 HB2 MET 46 -14.182 -2.011 30.309 370 HB3 MET 46 HB3 MET 46 -14.375 -0.601 29.286 371 HG2 MET 46 HG2 MET 46 -13.138 0.781 30.802 372 HG3 MET 46 HG3 MET 46 -13.223 -0.439 32.077 373 HE1 MET 46 HE1 MET 46 -9.420 -0.336 31.383 374 HE2 MET 46 HE2 MET 46 -10.628 0.953 31.564 375 HE3 MET 46 HE3 MET 46 -10.659 -0.456 32.641 376 H LYS 47 H LYS 47 -15.953 0.511 33.322 377 HA LYS 47 HA LYS 47 -15.870 -1.939 34.974 378 HB2 LYS 47 HB2 LYS 47 -16.197 -0.346 36.879 379 HB3 LYS 47 HB3 LYS 47 -14.712 -0.176 35.980 380 HG2 LYS 47 HG2 LYS 47 -15.437 1.806 34.885 381 HG3 LYS 47 HG3 LYS 47 -17.113 1.615 35.462 382 HD2 LYS 47 HD2 LYS 47 -16.308 1.940 37.793 383 HD3 LYS 47 HD3 LYS 47 -14.655 2.149 37.189 384 HE2 LYS 47 HE2 LYS 47 -15.597 4.051 35.730 385 HE3 LYS 47 HE3 LYS 47 -17.093 3.907 36.649 386 HZ1 LYS 47 HZ1 LYS 47 -15.696 5.607 37.603 387 HZ2 LYS 47 HZ2 LYS 47 -15.763 4.376 38.674 388 HZ3 LYS 47 HZ3 LYS 47 -14.421 4.598 37.752 389 H ASP 48 H ASP 48 -18.316 0.142 33.573 390 HA ASP 48 HA ASP 48 -20.523 -0.946 35.211 391 HB2 ASP 48 HB2 ASP 48 -20.550 1.366 34.257 392 HB3 ASP 48 HB3 ASP 48 -20.551 0.676 32.635 393 H CYS 49 H CYS 49 -18.728 -1.720 32.363 394 HA CYS 49 HA CYS 49 -20.439 -3.763 31.225 395 HB2 CYS 49 HB2 CYS 49 -18.616 -2.434 30.115 396 HB3 CYS 49 HB3 CYS 49 -17.438 -3.364 30.997 397 H THR 50 H THR 50 -20.995 -4.713 33.399 398 HA THR 50 HA THR 50 -19.085 -6.362 34.824 399 HB THR 50 HB THR 50 -21.173 -7.305 35.894 400 HG1 THR 50 HG1 THR 50 -23.100 -6.150 35.395 401 HG21 THR 50 HG21 THR 50 -20.955 -4.256 35.843 402 HG22 THR 50 HG22 THR 50 -21.710 -5.244 37.112 403 HG23 THR 50 HG23 THR 50 -19.964 -5.346 36.836 404 H GLU 51 H GLU 51 -21.952 -7.421 33.055 405 HA GLU 51 HA GLU 51 -20.427 -9.738 31.929 406 HB2 GLU 51 HB2 GLU 51 -22.485 -10.965 31.817 407 HB3 GLU 51 HB3 GLU 51 -22.206 -10.409 33.467 408 HG2 GLU 51 HG2 GLU 51 -23.884 -8.640 33.212 409 HG3 GLU 51 HG3 GLU 51 -24.102 -9.042 31.505 410 H ARG 52 H ARG 52 -21.030 -10.472 29.828 411 HA ARG 52 HA ARG 52 -22.317 -8.515 27.971 412 HB2 ARG 52 HB2 ARG 52 -19.782 -10.143 27.519 413 HB3 ARG 52 HB3 ARG 52 -20.669 -9.345 26.231 414 HG2 ARG 52 HG2 ARG 52 -19.852 -7.302 26.691 415 HG3 ARG 52 HG3 ARG 52 -20.068 -7.461 28.421 416 HD2 ARG 52 HD2 ARG 52 -17.751 -8.599 26.809 417 HD3 ARG 52 HD3 ARG 52 -17.696 -7.159 27.825 418 HE ARG 52 HE ARG 52 -17.495 -9.912 28.684 419 HH11 ARG 52 HH21 ARG 52 -18.497 -6.703 29.867 420 HH12 ARG 52 HH22 ARG 52 -18.371 -7.216 31.529 421 HH21 ARG 52 HH11 ARG 52 -17.388 -10.455 30.876 422 HH22 ARG 52 HH12 ARG 52 -17.863 -9.272 32.072 423 H GLN 53 H GLN 53 -23.497 -9.489 26.278 424 HA GLN 53 HA GLN 53 -23.958 -12.441 26.396 425 HB2 GLN 53 HB2 GLN 53 -26.118 -10.283 26.385 426 HB3 GLN 53 HB3 GLN 53 -26.388 -12.014 26.165 427 HG2 GLN 53 HG2 GLN 53 -25.455 -12.432 28.456 428 HG3 GLN 53 HG3 GLN 53 -25.289 -10.691 28.683 429 HE21 GLN 53 HE22 GLN 53 -26.724 -11.302 30.645 430 HE22 GLN 53 HE21 GLN 53 -28.462 -11.272 30.336 431 H ALA 54 H ALA 54 -24.764 -13.356 24.456 432 HA ALA 54 HA ALA 54 -23.956 -11.948 22.005 433 HB1 ALA 54 HB1 ALA 54 -24.989 -14.781 22.484 434 HB2 ALA 54 HB2 ALA 54 -24.283 -14.163 20.977 435 HB3 ALA 54 HB3 ALA 54 -23.278 -14.291 22.431 436 H ASN 55 H ASN 55 -25.290 -11.986 20.090 437 HA ASN 55 HA ASN 55 -28.117 -11.221 20.560 438 HB2 ASN 55 HB2 ASN 55 -26.664 -9.696 19.294 439 HB3 ASN 55 HB3 ASN 55 -26.298 -10.971 18.136 440 HD21 ASN 55 HD22 ASN 55 -28.335 -11.962 17.087 441 HD22 ASN 55 HD21 ASN 55 -29.527 -10.774 16.525 442 H9 1HF 103 H9 1HF 58 -9.723 3.791 36.071 443 H12 1HF 103 H12 1HF 58 -8.981 6.079 31.458 444 H4 1HF 103 H4 1HF 58 -5.840 -2.909 33.773 445 H6 1HF 103 H6 1HF 58 -2.404 -5.104 32.320 446 H7 1HF 103 H7 1HF 58 -2.302 -3.630 30.305 447 H1 1HF 103 H1 1HF 58 -3.572 -1.558 29.090 448 H8 1HF 103 H8 1HF 58 -8.040 -0.620 35.842 449 H11 1HF 103 H11 1HF 58 -10.132 7.693 33.352 450 H10 1HF 103 H10 1HF 58 -10.316 6.069 35.582 451 H9 1HF 104 H9 1HF 59 -12.081 1.853 36.877 452 H12 1HF 104 H12 1HF 59 -12.734 -2.291 33.797 453 H4 1HF 104 H4 1HF 59 -14.212 6.784 30.830 454 H6 1HF 104 H6 1HF 59 -14.335 8.615 26.916 455 H7 1HF 104 H7 1HF 59 -13.917 6.391 25.854 456 H1 1HF 104 H1 1HF 59 -14.114 3.676 26.443 457 H8 1HF 104 H8 1HF 59 -13.292 5.669 34.327 458 H11 1HF 104 H11 1HF 59 -12.039 -2.897 36.395 459 H10 1HF 104 H10 1HF 59 -11.754 -0.413 37.592 Start of MODEL 10 1 H1 ILE 1 H1 ILE 1 -3.192 -13.529 12.849 2 H2 ILE 1 H2 ILE 1 -2.281 -14.588 13.688 3 H3 ILE 1 H3 ILE 1 -1.556 -13.471 12.739 4 HA ILE 1 HA ILE 1 -1.375 -12.886 15.066 5 HB ILE 1 HB ILE 1 -1.453 -11.140 13.286 6 HG12 ILE 1 HG13 ILE 1 -1.776 -9.261 14.647 7 HG13 ILE 1 HG12 ILE 1 -2.616 -10.148 15.941 8 HG21 ILE 1 HG21 ILE 1 -3.408 -9.717 12.989 9 HG22 ILE 1 HG22 ILE 1 -3.819 -11.372 12.544 10 HG23 ILE 1 HG23 ILE 1 -4.362 -10.707 14.103 11 HD11 ILE 1 HD11 ILE 1 -0.537 -11.434 16.395 12 HD12 ILE 1 HD12 ILE 1 0.293 -10.541 15.097 13 HD13 ILE 1 HD13 ILE 1 -0.282 -9.689 16.542 14 H GLN 2 H GLN 2 -2.443 -12.218 17.086 15 HA GLN 2 HA GLN 2 -5.298 -12.543 17.401 16 HB2 GLN 2 HB2 GLN 2 -5.281 -14.423 18.907 17 HB3 GLN 2 HB3 GLN 2 -4.625 -14.925 17.357 18 HG2 GLN 2 HG2 GLN 2 -2.314 -14.776 18.274 19 HG3 GLN 2 HG3 GLN 2 -2.957 -14.256 19.832 20 HE21 GLN 2 HE22 GLN 2 -1.379 -16.403 20.040 21 HE22 GLN 2 HE21 GLN 2 -2.333 -17.868 20.217 22 H LYS 3 H LYS 3 -5.946 -12.225 19.709 23 HA LYS 3 HA LYS 3 -4.918 -9.812 20.687 24 HB2 LYS 3 HB2 LYS 3 -7.199 -10.732 21.020 25 HB3 LYS 3 HB3 LYS 3 -6.551 -11.995 22.058 26 HG2 LYS 3 HG2 LYS 3 -7.617 -10.282 23.375 27 HG3 LYS 3 HG3 LYS 3 -5.896 -10.329 23.744 28 HD2 LYS 3 HD2 LYS 3 -5.499 -8.279 22.480 29 HD3 LYS 3 HD3 LYS 3 -7.118 -8.354 21.767 30 HE2 LYS 3 HE2 LYS 3 -7.134 -6.669 23.499 31 HE3 LYS 3 HE3 LYS 3 -8.147 -8.028 23.986 32 HZ1 LYS 3 HZ1 LYS 3 -6.242 -8.812 25.348 33 HZ2 LYS 3 HZ2 LYS 3 -5.415 -7.441 24.980 34 HZ3 LYS 3 HZ3 LYS 3 -6.825 -7.373 25.831 35 H GLY 4 H GLY 4 -4.139 -13.100 21.800 36 HA2 GLY 4 HA2 GLY 4 -2.546 -12.267 24.081 37 HA3 GLY 4 HA3 GLY 4 -2.714 -13.910 23.419 38 H ASN 5 H ASN 5 -1.684 -12.002 20.855 39 HA ASN 5 HA ASN 5 0.970 -13.069 20.811 40 HB2 ASN 5 HB2 ASN 5 -0.295 -12.449 18.808 41 HB3 ASN 5 HB3 ASN 5 -0.336 -10.758 19.313 42 HD21 ASN 5 HD22 ASN 5 1.382 -9.412 18.706 43 HD22 ASN 5 HD21 ASN 5 2.842 -10.019 17.948 44 H PHE 6 H PHE 6 -0.299 -10.012 22.083 45 HA PHE 6 HA PHE 6 2.398 -8.815 22.272 46 HB2 PHE 6 HB2 PHE 6 -0.328 -7.588 22.821 47 HB3 PHE 6 HB3 PHE 6 1.205 -6.746 22.653 48 HD1 PHE 6 HD1 PHE 6 2.366 -6.641 20.417 49 HD2 PHE 6 HD2 PHE 6 -1.605 -8.270 20.864 50 HE1 PHE 6 HE1 PHE 6 1.998 -6.430 17.970 51 HE2 PHE 6 HE2 PHE 6 -1.960 -8.073 18.418 52 HZ PHE 6 HZ PHE 6 -0.164 -7.143 16.967 53 H ARG 7 H ARG 7 3.241 -7.880 24.138 54 HA ARG 7 HA ARG 7 2.537 -9.086 26.728 55 HB2 ARG 7 HB2 ARG 7 4.574 -6.950 25.997 56 HB3 ARG 7 HB3 ARG 7 4.390 -7.727 27.577 57 HG2 ARG 7 HG2 ARG 7 4.813 -9.961 26.366 58 HG3 ARG 7 HG3 ARG 7 5.296 -8.998 24.964 59 HD2 ARG 7 HD2 ARG 7 6.576 -9.087 27.713 60 HD3 ARG 7 HD3 ARG 7 7.286 -9.626 26.203 61 HE ARG 7 HE ARG 7 7.123 -6.878 27.241 62 HH11 ARG 7 HH11 ARG 7 7.717 -8.723 24.270 63 HH12 ARG 7 HH12 ARG 7 8.492 -7.368 23.504 64 HH21 ARG 7 HH21 ARG 7 8.060 -5.233 26.229 65 HH22 ARG 7 HH22 ARG 7 8.704 -5.394 24.609 66 H ASN 8 H ASN 8 0.726 -8.389 27.628 67 HA ASN 8 HA ASN 8 0.316 -5.455 28.031 68 HB2 ASN 8 HB2 ASN 8 -2.027 -5.798 27.984 69 HB3 ASN 8 HB3 ASN 8 -1.385 -6.614 26.565 70 HD21 ASN 8 HD22 ASN 8 -3.946 -7.056 28.113 71 HD22 ASN 8 HD21 ASN 8 -3.898 -8.753 28.554 72 H GLN 9 H GLN 9 1.418 -8.045 29.682 73 HA GLN 9 HA GLN 9 0.681 -6.995 32.336 74 HB2 GLN 9 HB2 GLN 9 0.020 -9.851 31.460 75 HB3 GLN 9 HB3 GLN 9 0.127 -9.328 33.143 76 HG2 GLN 9 HG2 GLN 9 -1.690 -7.671 32.732 77 HG3 GLN 9 HG3 GLN 9 -1.886 -8.307 31.097 78 HE21 GLN 9 HE22 GLN 9 -3.690 -8.315 33.620 79 HE22 GLN 9 HE21 GLN 9 -4.168 -10.014 33.727 80 H ARG 10 H ARG 10 2.273 -9.827 30.704 81 HA ARG 10 HA ARG 10 4.359 -9.960 32.720 82 HB2 ARG 10 HB2 ARG 10 3.469 -11.930 31.520 83 HB3 ARG 10 HB3 ARG 10 4.141 -11.320 30.001 84 HG2 ARG 10 HG2 ARG 10 6.431 -11.441 30.967 85 HG3 ARG 10 HG3 ARG 10 5.764 -12.024 32.496 86 HD2 ARG 10 HD2 ARG 10 5.534 -13.436 29.800 87 HD3 ARG 10 HD3 ARG 10 6.716 -13.834 31.041 88 HE ARG 10 HE ARG 10 3.888 -14.546 30.979 89 HH11 ARG 10 HH21 ARG 10 6.645 -14.204 33.174 90 HH12 ARG 10 HH22 ARG 10 5.948 -15.273 34.356 91 HH21 ARG 10 HH11 ARG 10 3.046 -15.897 32.548 92 HH22 ARG 10 HH12 ARG 10 3.940 -16.213 34.003 93 H LYS 11 H LYS 11 6.057 -8.693 32.813 94 HA LYS 11 HA LYS 11 7.872 -7.419 32.400 95 HB2 LYS 11 HB2 LYS 11 8.408 -9.280 30.815 96 HB3 LYS 11 HB3 LYS 11 7.700 -8.332 29.501 97 HG2 LYS 11 HG2 LYS 11 9.364 -6.541 29.865 98 HG3 LYS 11 HG3 LYS 11 10.059 -7.459 31.217 99 HD2 LYS 11 HD2 LYS 11 10.628 -9.308 29.660 100 HD3 LYS 11 HD3 LYS 11 9.921 -8.390 28.310 101 HE2 LYS 11 HE2 LYS 11 11.555 -6.558 28.701 102 HE3 LYS 11 HE3 LYS 11 12.252 -7.458 30.054 103 HZ1 LYS 11 HZ1 LYS 11 13.539 -7.776 28.030 104 HZ2 LYS 11 HZ2 LYS 11 12.889 -9.203 28.483 105 HZ3 LYS 11 HZ3 LYS 11 12.247 -8.371 27.228 106 H THR 12 H THR 12 5.356 -6.873 29.944 107 HA THR 12 HA THR 12 5.733 -3.914 30.150 108 HB THR 12 HB THR 12 5.204 -5.420 27.558 109 HG1 THR 12 HG1 THR 12 7.623 -4.325 28.577 110 HG21 THR 12 HG21 THR 12 4.458 -3.113 27.429 111 HG22 THR 12 HG22 THR 12 5.990 -2.530 28.129 112 HG23 THR 12 HG23 THR 12 5.963 -3.282 26.520 113 H VAL 13 H VAL 13 3.865 -2.759 30.056 114 HA VAL 13 HA VAL 13 1.258 -4.211 30.012 115 HB VAL 13 HB VAL 13 1.865 -3.033 32.120 116 HG11 VAL 13 HG11 VAL 13 3.041 -1.047 31.189 117 HG12 VAL 13 HG12 VAL 13 1.493 -0.443 30.559 118 HG13 VAL 13 HG13 VAL 13 1.739 -0.609 32.304 119 HG21 VAL 13 HG21 VAL 13 -0.309 -2.014 32.491 120 HG22 VAL 13 HG22 VAL 13 -0.605 -1.921 30.742 121 HG23 VAL 13 HG23 VAL 13 -0.467 -3.502 31.550 122 H LYS 14 H LYS 14 -0.429 -3.436 28.680 123 HA LYS 14 HA LYS 14 0.250 -1.295 26.717 124 HB2 LYS 14 HB2 LYS 14 0.502 -3.616 25.772 125 HB3 LYS 14 HB3 LYS 14 -1.188 -3.919 26.172 126 HG2 LYS 14 HG2 LYS 14 -1.832 -1.974 24.692 127 HG3 LYS 14 HG3 LYS 14 -0.149 -1.862 24.182 128 HD2 LYS 14 HD2 LYS 14 -1.722 -4.454 23.952 129 HD3 LYS 14 HD3 LYS 14 -1.942 -3.190 22.762 130 HE2 LYS 14 HE2 LYS 14 0.785 -4.410 23.395 131 HE3 LYS 14 HE3 LYS 14 -0.323 -5.020 22.156 132 HZ1 LYS 14 HZ1 LYS 14 1.080 -2.417 22.140 133 HZ2 LYS 14 HZ2 LYS 14 1.074 -3.578 21.003 134 HZ3 LYS 14 HZ3 LYS 14 -0.261 -2.650 21.245 135 H CYS 15 H CYS 15 -1.209 0.264 26.452 136 HA CYS 15 HA CYS 15 -3.558 0.564 28.030 137 HB2 CYS 15 HB2 CYS 15 -2.256 2.376 27.191 138 HB3 CYS 15 HB3 CYS 15 -2.559 1.905 25.516 139 H PHE 16 H PHE 16 -5.718 0.286 27.657 140 HA PHE 16 HA PHE 16 -6.567 -1.377 25.367 141 HB2 PHE 16 HB2 PHE 16 -8.223 -0.187 27.608 142 HB3 PHE 16 HB3 PHE 16 -8.696 -1.457 26.481 143 HD1 PHE 16 HD2 PHE 16 -5.785 -2.948 26.975 144 HD2 PHE 16 HD1 PHE 16 -9.120 -1.599 29.343 145 HE1 PHE 16 HE2 PHE 16 -5.302 -4.691 28.675 146 HE2 PHE 16 HE1 PHE 16 -8.671 -3.373 31.014 147 HZ PHE 16 HZ PHE 16 -6.736 -4.916 30.685 148 H ASN 17 H ASN 17 -6.534 2.058 26.163 149 HA ASN 17 HA ASN 17 -8.825 2.732 24.462 150 HB2 ASN 17 HB2 ASN 17 -8.325 4.080 26.461 151 HB3 ASN 17 HB3 ASN 17 -6.746 4.495 25.816 152 HD21 ASN 17 HD21 ASN 17 -6.977 6.741 25.500 153 HD22 ASN 17 HD22 ASN 17 -8.152 7.395 24.371 154 H CYS 18 H CYS 18 -5.275 3.392 24.250 155 HA CYS 18 HA CYS 18 -5.649 3.964 21.331 156 HB2 CYS 18 HB2 CYS 18 -3.742 5.269 21.364 157 HB3 CYS 18 HB3 CYS 18 -4.698 5.749 22.754 158 H GLY 19 H GLY 19 -4.417 1.467 23.309 159 HA2 GLY 19 HA2 GLY 19 -3.760 -0.640 22.565 160 HA3 GLY 19 HA3 GLY 19 -3.558 -0.003 20.921 161 H LYS 20 H LYS 20 -1.826 1.929 23.119 162 HA LYS 20 HA LYS 20 0.715 0.722 22.156 163 HB2 LYS 20 HB2 LYS 20 0.049 3.458 23.282 164 HB3 LYS 20 HB3 LYS 20 1.649 2.959 22.726 165 HG2 LYS 20 HG2 LYS 20 0.767 2.619 20.456 166 HG3 LYS 20 HG3 LYS 20 -0.858 3.092 20.986 167 HD2 LYS 20 HD2 LYS 20 0.042 5.314 21.686 168 HD3 LYS 20 HD3 LYS 20 1.620 4.877 21.019 169 HE2 LYS 20 HE2 LYS 20 -1.001 4.995 19.446 170 HE3 LYS 20 HE3 LYS 20 0.181 6.304 19.518 171 HZ1 LYS 20 HZ1 LYS 20 0.501 4.980 17.534 172 HZ2 LYS 20 HZ2 LYS 20 1.810 4.813 18.495 173 HZ3 LYS 20 HZ3 LYS 20 0.704 3.609 18.394 174 H GLU 21 H GLU 21 2.430 0.208 23.404 175 HA GLU 21 HA GLU 21 2.227 -0.686 26.003 176 HB2 GLU 21 HB2 GLU 21 4.608 -0.042 24.289 177 HB3 GLU 21 HB3 GLU 21 4.674 -0.886 25.845 178 HG2 GLU 21 HG2 GLU 21 4.305 -2.709 24.679 179 HG3 GLU 21 HG3 GLU 21 2.642 -2.298 24.745 180 H GLY 22 H GLY 22 3.569 -0.232 27.794 181 HA2 GLY 22 HA2 GLY 22 4.867 0.968 29.292 182 HA3 GLY 22 HA3 GLY 22 4.863 2.355 28.179 183 H HIS 23 H HIS 23 1.658 1.537 28.737 184 HA HIS 23 HA HIS 23 1.250 2.960 31.239 185 HB2 HIS 23 HB2 HIS 23 0.343 4.979 30.339 186 HB3 HIS 23 HB3 HIS 23 1.873 4.764 29.546 187 HD1 HIS 23 HD1 HIS 23 1.716 4.066 26.890 188 HD2 HIS 23 HD2 HIS 23 -1.913 4.835 28.883 189 HE1 HIS 23 HE1 HIS 23 -0.050 4.462 25.086 190 H ILE 24 H ILE 24 -1.221 3.599 31.359 191 HA ILE 24 HA ILE 24 -2.964 1.519 30.132 192 HB ILE 24 HB ILE 24 -4.154 1.234 32.265 193 HG12 ILE 24 HG12 ILE 24 -1.860 2.680 33.655 194 HG13 ILE 24 HG13 ILE 24 -3.435 3.402 33.339 195 HG21 ILE 24 HG21 ILE 24 -2.306 -0.316 31.497 196 HG22 ILE 24 HG22 ILE 24 -1.221 0.508 32.626 197 HG23 ILE 24 HG23 ILE 24 -2.645 -0.368 33.227 198 HD11 ILE 24 HD11 ILE 24 -3.378 2.599 35.615 199 HD12 ILE 24 HD12 ILE 24 -4.534 1.622 34.687 200 HD13 ILE 24 HD13 ILE 24 -2.926 0.970 35.092 201 H ALA 25 H ALA 25 -5.272 2.172 30.102 202 HA ALA 25 HA ALA 25 -5.548 4.722 29.110 203 HB1 ALA 25 HB1 ALA 25 -7.081 2.806 28.709 204 HB2 ALA 25 HB2 ALA 25 -7.728 2.980 30.361 205 HB3 ALA 25 HB3 ALA 25 -7.974 4.268 29.164 206 H LYS 26 H LYS 26 -5.736 3.882 32.499 207 HA LYS 26 HA LYS 26 -7.052 6.183 33.557 208 HB2 LYS 26 HB2 LYS 26 -6.466 3.941 34.657 209 HB3 LYS 26 HB3 LYS 26 -4.835 4.577 34.885 210 HG2 LYS 26 HG2 LYS 26 -5.735 6.431 36.252 211 HG3 LYS 26 HG3 LYS 26 -7.389 5.874 35.938 212 HD2 LYS 26 HD2 LYS 26 -6.819 3.686 37.042 213 HD3 LYS 26 HD3 LYS 26 -5.215 4.342 37.434 214 HE2 LYS 26 HE2 LYS 26 -6.311 6.196 38.705 215 HE3 LYS 26 HE3 LYS 26 -7.897 5.511 38.322 216 HZ1 LYS 26 HZ1 LYS 26 -7.260 3.512 39.557 217 HZ2 LYS 26 HZ2 LYS 26 -5.792 4.146 39.911 218 HZ3 LYS 26 HZ3 LYS 26 -7.145 4.826 40.520 219 H ASN 27 H ASN 27 -3.633 5.675 32.708 220 HA ASN 27 HA ASN 27 -3.069 8.544 33.294 221 HB2 ASN 27 HB2 ASN 27 -0.750 7.874 33.711 222 HB3 ASN 27 HB3 ASN 27 -1.923 7.132 34.793 223 HD21 ASN 27 HD22 ASN 27 -0.518 5.428 35.416 224 HD22 ASN 27 HD21 ASN 27 -0.100 4.149 34.296 225 H CYS 28 H CYS 28 -3.670 6.574 30.706 226 HA CYS 28 HA CYS 28 -2.027 7.379 28.617 227 HB2 CYS 28 HB2 CYS 28 -3.883 5.799 28.450 228 HB3 CYS 28 HB3 CYS 28 -5.055 7.096 28.684 229 H ARG 29 H ARG 29 -2.038 9.006 27.089 230 HA ARG 29 HA ARG 29 -3.232 11.647 27.862 231 HB2 ARG 29 HB2 ARG 29 -0.684 11.073 26.303 232 HB3 ARG 29 HB3 ARG 29 -1.300 12.668 26.709 233 HG2 ARG 29 HG2 ARG 29 -0.307 10.614 28.740 234 HG3 ARG 29 HG3 ARG 29 0.612 11.956 28.086 235 HD2 ARG 29 HD2 ARG 29 -0.092 12.658 30.210 236 HD3 ARG 29 HD3 ARG 29 -1.099 13.548 29.056 237 HE ARG 29 HE ARG 29 -2.515 11.212 29.732 238 HH11 ARG 29 HH21 ARG 29 -1.431 14.045 31.556 239 HH12 ARG 29 HH22 ARG 29 -2.751 13.910 32.682 240 HH21 ARG 29 HH11 ARG 29 -4.145 11.116 31.109 241 HH22 ARG 29 HH12 ARG 29 -4.291 12.240 32.442 242 H ALA 30 H ALA 30 -3.728 9.189 25.654 243 HA ALA 30 HA ALA 30 -4.172 10.851 23.263 244 HB1 ALA 30 HB1 ALA 30 -4.888 7.942 23.856 245 HB2 ALA 30 HB2 ALA 30 -4.884 8.709 22.267 246 HB3 ALA 30 HB3 ALA 30 -3.357 8.485 23.133 247 HA PRO 31 HA PRO 31 -8.468 11.779 24.145 248 HB2 PRO 31 HB2 PRO 31 -9.712 11.555 21.700 249 HB3 PRO 31 HB3 PRO 31 -8.635 12.913 22.151 250 HG2 PRO 31 HG2 PRO 31 -7.924 10.411 20.588 251 HG3 PRO 31 HG3 PRO 31 -7.539 12.116 20.184 252 HD2 PRO 31 HD2 PRO 31 -5.726 10.521 21.396 253 HD3 PRO 31 HD3 PRO 31 -5.880 12.234 21.874 254 H ARG 32 H ARG 32 -10.306 10.713 24.755 255 HA ARG 32 HA ARG 32 -10.264 7.745 24.614 256 HB2 ARG 32 HB2 ARG 32 -11.853 9.601 26.380 257 HB3 ARG 32 HB3 ARG 32 -11.805 7.834 26.428 258 HG2 ARG 32 HG2 ARG 32 -9.427 7.835 26.973 259 HG3 ARG 32 HG3 ARG 32 -9.379 9.605 26.922 260 HD2 ARG 32 HD2 ARG 32 -10.866 9.796 28.791 261 HD3 ARG 32 HD3 ARG 32 -11.208 8.060 28.803 262 HE ARG 32 HE ARG 32 -8.512 8.070 29.126 263 HH11 ARG 32 HH21 ARG 32 -11.076 9.729 30.926 264 HH12 ARG 32 HH22 ARG 32 -10.044 9.994 32.307 265 HH21 ARG 32 HH11 ARG 32 -7.366 8.158 31.031 266 HH22 ARG 32 HH12 ARG 32 -7.960 9.104 32.368 267 H LYS 33 H LYS 33 -11.711 6.520 23.776 268 HA LYS 33 HA LYS 33 -13.268 7.332 21.568 269 HB2 LYS 33 HB2 LYS 33 -13.307 4.771 23.231 270 HB3 LYS 33 HB3 LYS 33 -14.108 4.942 21.665 271 HG2 LYS 33 HG2 LYS 33 -11.971 5.428 20.563 272 HG3 LYS 33 HG3 LYS 33 -11.116 5.318 22.105 273 HD2 LYS 33 HD2 LYS 33 -11.803 2.949 22.323 274 HD3 LYS 33 HD3 LYS 33 -12.632 3.045 20.754 275 HE2 LYS 33 HE2 LYS 33 -10.522 3.591 19.626 276 HE3 LYS 33 HE3 LYS 33 -9.676 3.682 21.174 277 HZ1 LYS 33 HZ1 LYS 33 -10.068 1.314 21.478 278 HZ2 LYS 33 HZ2 LYS 33 -10.882 1.210 20.057 279 HZ3 LYS 33 HZ3 LYS 33 -9.285 1.567 20.071 280 H LYS 34 H LYS 34 -15.599 6.714 21.178 281 HA LYS 34 HA LYS 34 -17.379 7.894 23.234 282 HB2 LYS 34 HB2 LYS 34 -17.961 6.945 20.392 283 HB3 LYS 34 HB3 LYS 34 -19.063 7.852 21.423 284 HG2 LYS 34 HG2 LYS 34 -16.436 8.885 20.274 285 HG3 LYS 34 HG3 LYS 34 -18.064 9.284 19.733 286 HD2 LYS 34 HD2 LYS 34 -18.543 10.305 21.969 287 HD3 LYS 34 HD3 LYS 34 -16.858 9.989 22.446 288 HE2 LYS 34 HE2 LYS 34 -16.057 11.357 20.538 289 HE3 LYS 34 HE3 LYS 34 -17.728 11.673 20.054 290 HZ1 LYS 34 HZ1 LYS 34 -18.063 12.802 22.183 291 HZ2 LYS 34 HZ2 LYS 34 -16.515 12.514 22.631 292 HZ3 LYS 34 HZ3 LYS 34 -16.832 13.498 21.367 293 H GLY 35 H GLY 35 -16.134 5.213 23.597 294 HA2 GLY 35 HA2 GLY 35 -18.398 3.710 24.602 295 HA3 GLY 35 HA3 GLY 35 -17.777 3.022 23.110 296 H CYS 36 H CYS 36 -17.721 1.348 24.890 297 HA CYS 36 HA CYS 36 -15.811 1.237 26.953 298 HB2 CYS 36 HB2 CYS 36 -17.804 -0.080 26.772 299 HB3 CYS 36 HB3 CYS 36 -17.201 -0.896 25.332 300 H TRP 37 H TRP 37 -13.737 0.545 27.128 301 HA TRP 37 HA TRP 37 -12.191 -0.132 24.704 302 HB2 TRP 37 HB2 TRP 37 -11.281 -0.021 27.591 303 HB3 TRP 37 HB3 TRP 37 -10.289 -0.009 26.138 304 HD1 TRP 37 HD1 TRP 37 -11.484 2.279 24.468 305 HE1 TRP 37 HE1 TRP 37 -11.207 4.717 25.216 306 HE3 TRP 37 HE3 TRP 37 -10.799 1.531 29.487 307 HZ2 TRP 37 HZ2 TRP 37 -10.926 6.148 27.674 308 HZ3 TRP 37 HZ3 TRP 37 -10.615 3.467 31.026 309 HH2 TRP 37 HH2 TRP 37 -10.710 5.792 30.124 310 H LYS 38 H LYS 38 -13.880 -1.917 27.158 311 HA LYS 38 HA LYS 38 -12.121 -4.295 26.944 312 HB2 LYS 38 HB2 LYS 38 -12.748 -3.614 29.122 313 HB3 LYS 38 HB3 LYS 38 -14.462 -3.572 28.760 314 HG2 LYS 38 HG2 LYS 38 -14.660 -5.924 28.688 315 HG3 LYS 38 HG3 LYS 38 -12.932 -6.160 28.443 316 HD2 LYS 38 HD2 LYS 38 -13.595 -6.831 30.704 317 HD3 LYS 38 HD3 LYS 38 -12.410 -5.535 30.707 318 HE2 LYS 38 HE2 LYS 38 -14.048 -5.146 32.432 319 HE3 LYS 38 HE3 LYS 38 -14.160 -3.876 31.222 320 HZ1 LYS 38 HZ1 LYS 38 -16.169 -4.879 30.375 321 HZ2 LYS 38 HZ2 LYS 38 -15.946 -6.248 31.215 322 HZ3 LYS 38 HZ3 LYS 38 -16.333 -4.852 32.002 323 H CYS 39 H CYS 39 -15.452 -3.391 26.055 324 HA CYS 39 HA CYS 39 -15.521 -5.886 24.343 325 HB2 CYS 39 HB2 CYS 39 -17.740 -6.185 24.668 326 HB3 CYS 39 HB3 CYS 39 -17.167 -5.778 26.277 327 H GLY 40 H GLY 40 -15.878 -2.409 24.192 328 HA2 GLY 40 HA2 GLY 40 -15.530 -1.211 22.192 329 HA3 GLY 40 HA3 GLY 40 -16.025 -2.616 21.239 330 H LYS 41 H LYS 41 -18.542 -2.429 23.376 331 HA LYS 41 HA LYS 41 -20.186 -0.947 21.449 332 HB2 LYS 41 HB2 LYS 41 -20.850 -2.388 24.031 333 HB3 LYS 41 HB3 LYS 41 -22.019 -1.385 23.184 334 HG2 LYS 41 HG2 LYS 41 -22.574 -3.337 22.185 335 HG3 LYS 41 HG3 LYS 41 -21.313 -2.843 21.068 336 HD2 LYS 41 HD2 LYS 41 -20.867 -5.118 21.506 337 HD3 LYS 41 HD3 LYS 41 -19.699 -4.258 22.516 338 HE2 LYS 41 HE2 LYS 41 -21.479 -4.446 24.406 339 HE3 LYS 41 HE3 LYS 41 -22.320 -5.594 23.352 340 HZ1 LYS 41 HZ1 LYS 41 -19.574 -5.811 24.413 341 HZ2 LYS 41 HZ2 LYS 41 -20.817 -6.745 24.883 342 HZ3 LYS 41 HZ3 LYS 41 -20.219 -6.911 23.361 343 H GLU 42 H GLU 42 -21.604 0.801 21.963 344 HA GLU 42 HA GLU 42 -19.976 2.997 22.784 345 HB2 GLU 42 HB2 GLU 42 -21.729 4.399 21.940 346 HB3 GLU 42 HB3 GLU 42 -21.440 3.054 20.842 347 HG2 GLU 42 HG2 GLU 42 -23.459 1.888 21.770 348 HG3 GLU 42 HG3 GLU 42 -23.750 3.270 22.828 349 H GLY 43 H GLY 43 -20.623 4.823 24.045 350 HA2 GLY 43 HA2 GLY 43 -21.582 6.034 25.727 351 HA3 GLY 43 HA3 GLY 43 -22.768 4.736 25.951 352 H HIS 44 H HIS 44 -21.388 2.637 26.903 353 HA HIS 44 HA HIS 44 -21.132 3.593 29.629 354 HB2 HIS 44 HB2 HIS 44 -21.280 1.274 30.259 355 HB3 HIS 44 HB3 HIS 44 -22.472 1.634 29.032 356 HD1 HIS 44 HD1 HIS 44 -22.347 0.136 26.851 357 HD2 HIS 44 HD2 HIS 44 -19.111 -0.242 29.493 358 HE1 HIS 44 HE1 HIS 44 -21.035 -1.928 26.107 359 H GLN 45 H GLN 45 -19.556 3.015 31.203 360 HA GLN 45 HA GLN 45 -16.744 3.062 30.237 361 HB2 GLN 45 HB2 GLN 45 -18.005 3.440 32.991 362 HB3 GLN 45 HB3 GLN 45 -16.271 3.315 32.715 363 HG2 GLN 45 HG2 GLN 45 -16.417 5.306 31.162 364 HG3 GLN 45 HG3 GLN 45 -18.102 5.487 31.623 365 HE21 GLN 45 HE22 GLN 45 -16.213 7.643 32.107 366 HE22 GLN 45 HE21 GLN 45 -16.034 7.730 33.842 367 H MET 46 H MET 46 -15.272 1.411 30.733 368 HA MET 46 HA MET 46 -16.447 -1.133 30.600 369 HB2 MET 46 HB2 MET 46 -14.224 -1.986 30.426 370 HB3 MET 46 HB3 MET 46 -14.422 -0.559 29.426 371 HG2 MET 46 HG2 MET 46 -13.112 0.777 30.919 372 HG3 MET 46 HG3 MET 46 -13.190 -0.453 32.186 373 HE1 MET 46 HE1 MET 46 -10.580 0.850 31.684 374 HE2 MET 46 HE2 MET 46 -10.616 -0.603 32.700 375 HE3 MET 46 HE3 MET 46 -9.407 -0.457 31.416 376 H LYS 47 H LYS 47 -15.889 0.509 33.528 377 HA LYS 47 HA LYS 47 -15.723 -1.958 35.139 378 HB2 LYS 47 HB2 LYS 47 -16.103 -0.388 37.068 379 HB3 LYS 47 HB3 LYS 47 -14.623 -0.181 36.172 380 HG2 LYS 47 HG2 LYS 47 -15.402 1.779 35.071 381 HG3 LYS 47 HG3 LYS 47 -17.069 1.552 35.662 382 HD2 LYS 47 HD2 LYS 47 -16.243 1.897 37.988 383 HD3 LYS 47 HD3 LYS 47 -14.606 2.157 37.360 384 HE2 LYS 47 HE2 LYS 47 -15.640 4.022 35.907 385 HE3 LYS 47 HE3 LYS 47 -17.105 3.841 36.867 386 HZ1 LYS 47 HZ1 LYS 47 -15.729 5.584 37.773 387 HZ2 LYS 47 HZ2 LYS 47 -15.734 4.356 38.853 388 HZ3 LYS 47 HZ3 LYS 47 -14.423 4.609 37.892 389 H ASP 48 H ASP 48 -18.271 0.044 33.804 390 HA ASP 48 HA ASP 48 -20.396 -1.157 35.481 391 HB2 ASP 48 HB2 ASP 48 -20.548 1.170 34.597 392 HB3 ASP 48 HB3 ASP 48 -20.533 0.535 32.952 393 H CYS 49 H CYS 49 -18.743 -1.691 32.466 394 HA CYS 49 HA CYS 49 -20.447 -3.616 31.215 395 HB2 CYS 49 HB2 CYS 49 -18.724 -2.319 30.112 396 HB3 CYS 49 HB3 CYS 49 -17.470 -3.084 31.065 397 H THR 50 H THR 50 -20.847 -5.665 31.707 398 HA THR 50 HA THR 50 -19.569 -7.005 33.935 399 HB THR 50 HB THR 50 -21.700 -8.061 32.037 400 HG1 THR 50 HG1 THR 50 -23.139 -7.135 33.534 401 HG21 THR 50 HG21 THR 50 -22.463 -9.297 34.076 402 HG22 THR 50 HG22 THR 50 -20.853 -9.800 33.557 403 HG23 THR 50 HG23 THR 50 -21.029 -8.709 34.949 404 H GLU 51 H GLU 51 -19.393 -7.418 30.429 405 HA GLU 51 HA GLU 51 -18.350 -10.128 30.623 406 HB2 GLU 51 HB2 GLU 51 -18.291 -10.104 28.202 407 HB3 GLU 51 HB3 GLU 51 -19.844 -9.561 28.829 408 HG2 GLU 51 HG2 GLU 51 -19.165 -7.191 28.399 409 HG3 GLU 51 HG3 GLU 51 -17.651 -7.775 27.695 410 H ARG 52 H ARG 52 -16.358 -10.905 29.777 411 HA ARG 52 HA ARG 52 -14.063 -9.165 30.448 412 HB2 ARG 52 HB2 ARG 52 -12.797 -11.221 30.589 413 HB3 ARG 52 HB3 ARG 52 -14.255 -11.321 31.567 414 HG2 ARG 52 HG2 ARG 52 -15.337 -12.794 29.997 415 HG3 ARG 52 HG3 ARG 52 -14.103 -12.511 28.759 416 HD2 ARG 52 HD2 ARG 52 -12.389 -13.580 30.192 417 HD3 ARG 52 HD3 ARG 52 -13.599 -13.834 31.452 418 HE ARG 52 HE ARG 52 -14.467 -15.626 30.300 419 HH11 ARG 52 HH21 ARG 52 -12.357 -13.915 27.988 420 HH12 ARG 52 HH22 ARG 52 -12.340 -15.281 26.912 421 HH21 ARG 52 HH11 ARG 52 -14.434 -17.279 28.813 422 HH22 ARG 52 HH12 ARG 52 -13.528 -17.124 27.340 423 H GLN 53 H GLN 53 -12.002 -9.632 29.194 424 HA GLN 53 HA GLN 53 -12.365 -9.258 26.284 425 HB2 GLN 53 HB2 GLN 53 -9.830 -9.514 27.972 426 HB3 GLN 53 HB3 GLN 53 -9.901 -9.116 26.251 427 HG2 GLN 53 HG2 GLN 53 -11.233 -7.056 26.818 428 HG3 GLN 53 HG3 GLN 53 -11.021 -7.439 28.531 429 HE21 GLN 53 HE22 GLN 53 -10.053 -5.195 28.575 430 HE22 GLN 53 HE21 GLN 53 -8.353 -5.070 28.177 431 H ALA 54 H ALA 54 -11.146 -10.697 24.757 432 HA ALA 54 HA ALA 54 -10.691 -13.473 25.586 433 HB1 ALA 54 HB1 ALA 54 -12.942 -12.724 23.658 434 HB2 ALA 54 HB2 ALA 54 -12.434 -14.373 24.074 435 HB3 ALA 54 HB3 ALA 54 -13.171 -13.333 25.309 436 H ASN 55 H ASN 55 -9.934 -14.829 23.854 437 HA ASN 55 HA ASN 55 -8.495 -13.404 21.648 438 HB2 ASN 55 HB2 ASN 55 -6.976 -14.123 23.446 439 HB3 ASN 55 HB3 ASN 55 -7.618 -15.759 23.365 440 HD21 ASN 55 HD22 ASN 55 -7.438 -16.781 21.093 441 HD22 ASN 55 HD21 ASN 55 -5.836 -16.578 20.339 442 H9 1HF 103 H9 1HF 58 -9.781 3.819 36.220 443 H12 1HF 103 H12 1HF 58 -9.101 6.032 31.557 444 H4 1HF 103 H4 1HF 58 -5.866 -2.908 33.889 445 H6 1HF 103 H6 1HF 58 -2.630 -5.233 32.193 446 H7 1HF 103 H7 1HF 58 -2.566 -3.706 30.206 447 H1 1HF 103 H1 1HF 58 -3.801 -1.558 29.122 448 H8 1HF 103 H8 1HF 58 -7.990 -0.557 36.061 449 H11 1HF 103 H11 1HF 58 -10.340 7.633 33.413 450 H10 1HF 103 H10 1HF 58 -10.463 6.060 35.675 451 H9 1HF 104 H9 1HF 59 -12.027 1.843 36.978 452 H12 1HF 104 H12 1HF 59 -12.690 -2.305 33.912 453 H4 1HF 104 H4 1HF 59 -14.057 6.784 31.029 454 H6 1HF 104 H6 1HF 59 -14.138 8.710 27.166 455 H7 1HF 104 H7 1HF 59 -13.966 6.487 26.045 456 H1 1HF 104 H1 1HF 59 -14.276 3.770 26.568 457 H8 1HF 104 H8 1HF 59 -13.389 5.626 34.461 458 H11 1HF 104 H11 1HF 59 -11.916 -2.907 36.490 459 H10 1HF 104 H10 1HF 59 -11.633 -0.419 37.682
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