![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
617855 |
5i2p ![]() ![]() |
30011 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.743 -0.820 -1.848 3 HB2 SER 1 HB2 SER 1 0.847 1.359 -2.339 4 HB3 SER 1 HB3 SER 1 2.072 2.144 -1.342 5 HG SER 1 HG SER 1 3.046 2.303 -3.215 6 H GLU 2 H GLU 2 3.615 -1.821 -2.123 7 HA GLU 2 HA GLU 2 6.064 -0.622 -1.065 8 HB2 GLU 2 HB2 GLU 2 6.803 -2.639 -0.014 9 HB3 GLU 2 HB3 GLU 2 5.194 -2.283 0.599 10 HG2 GLU 2 HG2 GLU 2 5.028 -4.527 0.209 11 HG3 GLU 2 HG3 GLU 2 4.425 -3.880 -1.315 12 H ASP 3 H ASP 3 8.022 -1.542 -2.004 13 HA ASP 3 HA ASP 3 7.562 -2.919 -4.563 14 HB2 ASP 3 HB2 ASP 3 9.246 -0.461 -4.074 15 HB3 ASP 3 HB3 ASP 3 9.418 -1.469 -5.508 16 H CYS 4 H CYS 4 8.362 -4.880 -3.995 17 HA CYS 4 HA CYS 4 10.914 -5.062 -2.605 18 HB2 CYS 4 HB2 CYS 4 10.463 -7.475 -2.533 19 HB3 CYS 4 HB3 CYS 4 9.100 -6.552 -1.907 20 H LEU 5 H LEU 5 12.443 -6.823 -3.455 21 HA LEU 5 HA LEU 5 12.925 -6.259 -6.290 22 HB2 LEU 5 HB2 LEU 5 14.681 -7.175 -4.036 23 HB3 LEU 5 HB3 LEU 5 15.194 -7.312 -5.717 24 HG LEU 5 HG LEU 5 14.384 -4.691 -4.480 25 HD11 LEU 5 HD11 LEU 5 16.187 -5.260 -3.134 26 HD12 LEU 5 HD12 LEU 5 16.937 -4.348 -4.443 27 HD13 LEU 5 HD13 LEU 5 17.021 -6.109 -4.436 28 HD21 LEU 5 HD21 LEU 5 14.525 -4.076 -6.618 29 HD22 LEU 5 HD22 LEU 5 15.279 -5.597 -7.094 30 HD23 LEU 5 HD23 LEU 5 16.268 -4.285 -6.450 31 H GLY 6 H GLY 6 13.540 -7.945 -7.739 32 HA2 GLY 6 HA2 GLY 6 12.102 -10.414 -7.218 33 HA3 GLY 6 HA3 GLY 6 12.814 -9.923 -8.748 34 H ALA 7 H ALA 7 13.812 -11.899 -9.111 35 HA ALA 7 HA ALA 7 15.712 -12.893 -7.140 36 HB1 ALA 7 HB1 ALA 7 14.631 -14.706 -8.014 37 HB2 ALA 7 HB2 ALA 7 14.478 -13.984 -9.616 38 HB3 ALA 7 HB3 ALA 7 16.028 -14.637 -9.089 39 H PHE 8 H PHE 8 17.914 -12.986 -7.424 40 HA PHE 8 HA PHE 8 19.975 -12.363 -8.156 41 HB2 PHE 8 HB2 PHE 8 18.702 -12.164 -10.891 42 HB3 PHE 8 HB3 PHE 8 20.413 -12.372 -10.532 43 HD1 PHE 8 HD1 PHE 8 18.012 -14.054 -12.011 44 HD2 PHE 8 HD2 PHE 8 20.428 -14.468 -8.530 45 HE1 PHE 8 HE1 PHE 8 17.729 -16.497 -12.108 46 HE2 PHE 8 HE2 PHE 8 20.149 -16.910 -8.623 47 HZ PHE 8 HZ PHE 8 18.799 -17.928 -10.413 48 H SER 9 H SER 9 17.872 -10.366 -7.417 49 HA SER 9 HA SER 9 18.595 -8.027 -8.984 50 HB2 SER 9 HB2 SER 9 16.631 -8.537 -6.761 51 HB3 SER 9 HB3 SER 9 17.035 -6.894 -7.257 52 HG SER 9 HG SER 9 16.158 -8.891 -9.066 53 H ARG 10 H ARG 10 19.534 -6.140 -8.081 54 HA ARG 10 HA ARG 10 21.758 -6.592 -6.445 55 HB2 ARG 10 HB2 ARG 10 21.298 -4.671 -8.103 56 HB3 ARG 10 HB3 ARG 10 20.475 -3.890 -6.759 57 HG2 ARG 10 HG2 ARG 10 22.684 -3.036 -6.832 58 HG3 ARG 10 HG3 ARG 10 22.590 -4.120 -5.443 59 HD2 ARG 10 HD2 ARG 10 23.728 -5.852 -6.629 60 HD3 ARG 10 HD3 ARG 10 23.629 -4.955 -8.143 61 HE ARG 10 HE ARG 10 25.511 -3.825 -7.529 62 HH11 ARG 10 HH11 ARG 10 24.057 -5.194 -4.677 63 HH12 ARG 10 HH12 ARG 10 25.350 -4.714 -3.629 64 HH21 ARG 10 HH21 ARG 10 27.220 -3.188 -6.159 65 HH22 ARG 10 HH22 ARG 10 27.148 -3.572 -4.472 66 H CYS 11 H CYS 11 22.068 -6.578 -4.304 67 HA CYS 11 HA CYS 11 20.488 -5.112 -2.464 68 HB2 CYS 11 HB2 CYS 11 19.274 -6.850 -1.368 69 HB3 CYS 11 HB3 CYS 11 18.912 -6.985 -3.086 70 H SER 12 H SER 12 21.125 -5.521 -0.212 71 HA SER 12 HA SER 12 23.844 -6.649 -0.076 72 HB2 SER 12 HB2 SER 12 22.612 -4.211 1.123 73 HB3 SER 12 HB3 SER 12 23.850 -5.052 2.056 74 HG SER 12 HG SER 12 24.086 -3.965 -0.551 75 HA PRO 13 HA PRO 13 22.641 -9.504 3.029 76 HB2 PRO 13 HB2 PRO 13 24.772 -9.469 4.710 77 HB3 PRO 13 HB3 PRO 13 24.830 -10.199 3.102 78 HG2 PRO 13 HG2 PRO 13 25.792 -7.509 3.996 79 HG3 PRO 13 HG3 PRO 13 26.579 -8.678 2.919 80 HD2 PRO 13 HD2 PRO 13 25.243 -6.512 1.992 81 HD3 PRO 13 HD3 PRO 13 25.311 -8.045 1.101 82 H LYS 14 H LYS 14 23.751 -6.358 4.172 83 HA LYS 14 HA LYS 14 22.462 -6.698 6.749 84 HB2 LYS 14 HB2 LYS 14 24.669 -5.367 6.125 85 HB3 LYS 14 HB3 LYS 14 23.524 -4.065 5.828 86 HG2 LYS 14 HG2 LYS 14 22.918 -3.908 8.040 87 HG3 LYS 14 HG3 LYS 14 23.392 -5.570 8.398 88 HD2 LYS 14 HD2 LYS 14 25.719 -4.989 8.298 89 HD3 LYS 14 HD3 LYS 14 25.337 -3.366 7.721 90 HE2 LYS 14 HE2 LYS 14 25.826 -3.134 10.016 91 HE3 LYS 14 HE3 LYS 14 24.070 -3.042 9.889 92 HZ1 LYS 14 HZ1 LYS 14 25.503 -4.719 11.514 93 HZ2 LYS 14 HZ2 LYS 14 24.955 -5.722 10.267 94 HZ3 LYS 14 HZ3 LYS 14 23.848 -4.820 11.174 95 H ASN 15 H ASN 15 21.967 -4.926 3.746 96 HA ASN 15 HA ASN 15 19.389 -3.960 4.789 97 HB2 ASN 15 HB2 ASN 15 21.161 -2.887 2.589 98 HB3 ASN 15 HB3 ASN 15 19.517 -2.320 2.867 99 HD21 ASN 15 HD21 ASN 15 20.951 -0.317 3.039 100 HD22 ASN 15 HD22 ASN 15 21.459 0.109 4.634 101 H ASP 16 H ASP 16 19.670 -6.619 3.901 102 HA ASP 16 HA ASP 16 18.989 -7.073 1.233 103 HB2 ASP 16 HB2 ASP 16 19.599 -8.995 2.394 104 HB3 ASP 16 HB3 ASP 16 18.571 -8.611 3.771 105 H LYS 17 H LYS 17 17.378 -6.025 0.246 106 HA LYS 17 HA LYS 17 14.733 -6.032 1.546 107 HB2 LYS 17 HB2 LYS 17 16.104 -3.929 -0.101 108 HB3 LYS 17 HB3 LYS 17 14.348 -3.995 -0.028 109 HG2 LYS 17 HG2 LYS 17 15.917 -3.982 2.506 110 HG3 LYS 17 HG3 LYS 17 15.682 -2.477 1.614 111 HD2 LYS 17 HD2 LYS 17 13.344 -2.582 1.844 112 HD3 LYS 17 HD3 LYS 17 13.384 -4.282 2.319 113 HE2 LYS 17 HE2 LYS 17 14.467 -3.684 4.415 114 HE3 LYS 17 HE3 LYS 17 14.491 -1.988 3.936 115 HZ1 LYS 17 HZ1 LYS 17 12.483 -1.769 4.805 116 HZ2 LYS 17 HZ2 LYS 17 12.438 -3.409 5.216 117 HZ3 LYS 17 HZ3 LYS 17 11.865 -2.900 3.708 118 H CYS 18 H CYS 18 14.735 -8.209 0.425 119 HA CYS 18 HA CYS 18 13.818 -7.885 -2.358 120 HB2 CYS 18 HB2 CYS 18 15.169 -10.290 -1.114 121 HB3 CYS 18 HB3 CYS 18 14.567 -10.198 -2.766 122 H CYS 19 H CYS 19 12.155 -9.392 -3.057 123 HA CYS 19 HA CYS 19 9.908 -9.428 -1.496 124 HB2 CYS 19 HB2 CYS 19 10.792 -10.867 -3.911 125 HB3 CYS 19 HB3 CYS 19 9.498 -11.655 -3.015 126 HA PRO 20 HA PRO 20 10.169 -12.632 1.488 127 HB2 PRO 20 HB2 PRO 20 7.720 -13.797 1.363 128 HB3 PRO 20 HB3 PRO 20 7.985 -12.187 2.044 129 HG2 PRO 20 HG2 PRO 20 6.998 -12.955 -0.676 130 HG3 PRO 20 HG3 PRO 20 6.410 -11.682 0.409 131 HD2 PRO 20 HD2 PRO 20 8.038 -11.167 -1.692 132 HD3 PRO 20 HD3 PRO 20 8.087 -10.220 -0.191 133 H ASN 21 H ASN 21 10.152 -14.955 1.863 134 HA ASN 21 HA ASN 21 10.583 -17.122 1.317 135 HB2 ASN 21 HB2 ASN 21 8.459 -16.454 -0.284 136 HB3 ASN 21 HB3 ASN 21 9.647 -16.993 -1.467 137 HD21 ASN 21 HD21 ASN 21 7.321 -17.932 0.766 138 HD22 ASN 21 HD22 ASN 21 7.641 -19.630 0.767 139 H TYR 22 H TYR 22 12.300 -14.739 0.474 140 HA TYR 22 HA TYR 22 14.013 -16.224 -1.410 141 HB2 TYR 22 HB2 TYR 22 13.414 -13.279 -1.246 142 HB3 TYR 22 HB3 TYR 22 14.873 -13.875 -2.030 143 HD1 TYR 22 HD1 TYR 22 11.374 -13.226 -2.399 144 HD2 TYR 22 HD2 TYR 22 14.600 -15.518 -3.963 145 HE1 TYR 22 HE1 TYR 22 10.102 -13.592 -4.472 146 HE2 TYR 22 HE2 TYR 22 13.337 -15.889 -6.041 147 HH TYR 22 HH TYR 22 11.544 -15.066 -7.277 148 H LYS 23 H LYS 23 16.318 -14.939 -1.306 149 HA LYS 23 HA LYS 23 17.090 -14.356 1.424 150 HB2 LYS 23 HB2 LYS 23 17.141 -16.929 0.976 151 HB3 LYS 23 HB3 LYS 23 18.601 -16.563 0.067 152 HG2 LYS 23 HG2 LYS 23 19.628 -15.608 2.039 153 HG3 LYS 23 HG3 LYS 23 18.147 -15.871 2.963 154 HD2 LYS 23 HD2 LYS 23 18.389 -18.227 2.849 155 HD3 LYS 23 HD3 LYS 23 19.657 -18.107 1.626 156 HE2 LYS 23 HE2 LYS 23 21.252 -17.439 3.158 157 HE3 LYS 23 HE3 LYS 23 20.052 -16.828 4.296 158 HZ1 LYS 23 HZ1 LYS 23 21.089 -18.878 5.072 159 HZ2 LYS 23 HZ2 LYS 23 20.539 -19.696 3.698 160 HZ3 LYS 23 HZ3 LYS 23 19.429 -19.090 4.822 161 H CYS 24 H CYS 24 18.999 -13.206 1.574 162 HA CYS 24 HA CYS 24 20.195 -12.425 -1.001 163 HB2 CYS 24 HB2 CYS 24 18.962 -10.691 0.459 164 HB3 CYS 24 HB3 CYS 24 20.358 -10.797 1.526 165 H SER 25 H SER 25 22.007 -13.566 -1.283 166 HA SER 25 HA SER 25 23.716 -14.188 0.996 167 HB2 SER 25 HB2 SER 25 23.229 -15.352 -1.625 168 HB3 SER 25 HB3 SER 25 24.953 -15.172 -1.300 169 HG SER 25 HG SER 25 24.339 -17.123 -0.460 170 H SER 26 H SER 26 25.662 -13.288 1.378 171 HA SER 26 HA SER 26 26.323 -10.832 0.115 172 HB2 SER 26 HB2 SER 26 28.383 -10.953 1.543 173 HB3 SER 26 HB3 SER 26 26.878 -11.145 2.442 174 HG SER 26 HG SER 26 28.683 -12.691 2.854 175 H LYS 27 H LYS 27 27.127 -14.108 -0.520 176 HA LYS 27 HA LYS 27 29.617 -13.967 -1.699 177 HB2 LYS 27 HB2 LYS 27 27.934 -15.965 -1.352 178 HB3 LYS 27 HB3 LYS 27 27.481 -15.599 -3.012 179 HG2 LYS 27 HG2 LYS 27 29.727 -15.991 -3.768 180 HG3 LYS 27 HG3 LYS 27 30.290 -16.197 -2.107 181 HD2 LYS 27 HD2 LYS 27 29.207 -18.247 -1.867 182 HD3 LYS 27 HD3 LYS 27 28.119 -17.938 -3.222 183 HE2 LYS 27 HE2 LYS 27 29.642 -19.505 -4.051 184 HE3 LYS 27 HE3 LYS 27 30.224 -17.963 -4.676 185 HZ1 LYS 27 HZ1 LYS 27 31.303 -18.816 -2.111 186 HZ2 LYS 27 HZ2 LYS 27 32.069 -18.039 -3.404 187 HZ3 LYS 27 HZ3 LYS 27 31.795 -19.707 -3.463 188 H ASP 28 H ASP 28 26.515 -13.765 -3.456 189 HA ASP 28 HA ASP 28 27.911 -12.366 -5.623 190 HB2 ASP 28 HB2 ASP 28 25.532 -14.121 -5.471 191 HB3 ASP 28 HB3 ASP 28 25.436 -12.791 -6.621 192 H LEU 29 H LEU 29 25.886 -11.793 -2.984 193 HA LEU 29 HA LEU 29 24.824 -9.939 -2.207 194 HB2 LEU 29 HB2 LEU 29 26.095 -8.462 -4.500 195 HB3 LEU 29 HB3 LEU 29 25.520 -7.791 -2.975 196 HG LEU 29 HG LEU 29 27.741 -9.789 -2.956 197 HD11 LEU 29 HD11 LEU 29 28.402 -6.899 -3.159 198 HD12 LEU 29 HD12 LEU 29 28.060 -7.790 -4.642 199 HD13 LEU 29 HD13 LEU 29 29.367 -8.314 -3.580 200 HD21 LEU 29 HD21 LEU 29 28.125 -7.633 -1.189 201 HD22 LEU 29 HD22 LEU 29 27.660 -9.289 -0.796 202 HD23 LEU 29 HD23 LEU 29 26.419 -8.070 -1.090 203 H TRP 30 H TRP 30 23.338 -11.598 -3.818 204 HA TRP 30 HA TRP 30 21.494 -9.676 -5.044 205 HB2 TRP 30 HB2 TRP 30 21.071 -11.250 -6.910 206 HB3 TRP 30 HB3 TRP 30 22.726 -10.646 -6.901 207 HD1 TRP 30 HD1 TRP 30 22.424 -13.228 -4.299 208 HE1 TRP 30 HE1 TRP 30 23.361 -15.477 -5.130 209 HE3 TRP 30 HE3 TRP 30 22.760 -12.172 -9.290 210 HZ2 TRP 30 HZ2 TRP 30 24.140 -16.648 -7.578 211 HZ3 TRP 30 HZ3 TRP 30 23.611 -13.911 -10.809 212 HH2 TRP 30 HH2 TRP 30 24.287 -16.102 -9.968 213 H CYS 31 H CYS 31 19.469 -11.242 -5.805 214 HA CYS 31 HA CYS 31 18.580 -12.415 -3.272 215 HB2 CYS 31 HB2 CYS 31 16.872 -11.782 -5.679 216 HB3 CYS 31 HB3 CYS 31 16.342 -12.063 -4.024 217 H LYS 32 H LYS 32 17.962 -14.507 -3.069 218 HA LYS 32 HA LYS 32 17.907 -16.188 -5.474 219 HB2 LYS 32 HB2 LYS 32 19.464 -16.775 -2.950 220 HB3 LYS 32 HB3 LYS 32 19.180 -17.942 -4.235 221 HG2 LYS 32 HG2 LYS 32 20.233 -15.854 -5.624 222 HG3 LYS 32 HG3 LYS 32 21.088 -15.729 -4.085 223 HD2 LYS 32 HD2 LYS 32 22.373 -17.136 -5.533 224 HD3 LYS 32 HD3 LYS 32 21.647 -18.156 -4.288 225 HE2 LYS 32 HE2 LYS 32 19.731 -18.295 -6.163 226 HE3 LYS 32 HE3 LYS 32 21.136 -18.044 -7.198 227 HZ1 LYS 32 HZ1 LYS 32 22.121 -20.000 -6.466 228 HZ2 LYS 32 HZ2 LYS 32 20.491 -20.426 -6.613 229 HZ3 LYS 32 HZ3 LYS 32 21.147 -20.109 -5.087 230 H TYR 33 H TYR 33 16.639 -18.071 -5.306 231 HA TYR 33 HA TYR 33 14.432 -17.825 -3.484 232 HB2 TYR 33 HB2 TYR 33 13.423 -19.610 -4.719 233 HB3 TYR 33 HB3 TYR 33 14.225 -18.560 -5.882 234 HD1 TYR 33 HD1 TYR 33 16.235 -19.305 -7.053 235 HD2 TYR 33 HD2 TYR 33 14.215 -21.859 -4.315 236 HE1 TYR 33 HE1 TYR 33 17.471 -21.233 -7.950 237 HE2 TYR 33 HE2 TYR 33 15.446 -23.795 -5.203 238 HH TYR 33 HH TYR 33 17.337 -24.366 -6.437 239 H LYS 34 H LYS 34 14.049 -18.932 -1.661 240 HA LYS 34 HA LYS 34 15.650 -21.307 -1.055 241 HB2 LYS 34 HB2 LYS 34 15.676 -18.727 0.420 242 HB3 LYS 34 HB3 LYS 34 15.674 -20.199 1.383 243 HG2 LYS 34 HG2 LYS 34 17.636 -19.834 -0.846 244 HG3 LYS 34 HG3 LYS 34 17.924 -19.127 0.745 245 HD2 LYS 34 HD2 LYS 34 17.137 -21.986 0.639 246 HD3 LYS 34 HD3 LYS 34 18.763 -21.569 0.094 247 HE2 LYS 34 HE2 LYS 34 19.333 -20.645 2.191 248 HE3 LYS 34 HE3 LYS 34 17.653 -20.627 2.725 249 HZ1 LYS 34 HZ1 LYS 34 19.127 -22.449 3.638 250 HZ2 LYS 34 HZ2 LYS 34 19.067 -23.148 2.099 251 HZ3 LYS 34 HZ3 LYS 34 17.643 -22.937 2.988 252 H ILE 35 H ILE 35 14.632 -22.811 0.226 253 HA ILE 35 HA ILE 35 12.004 -22.134 1.329 254 HB ILE 35 HB ILE 35 11.143 -24.352 0.456 255 HG12 ILE 35 HG12 ILE 35 13.530 -24.047 -1.380 256 HG13 ILE 35 HG13 ILE 35 13.310 -25.313 -0.178 257 HG21 ILE 35 HG21 ILE 35 10.408 -22.213 -0.444 258 HG22 ILE 35 HG22 ILE 35 11.785 -22.190 -1.545 259 HG23 ILE 35 HG23 ILE 35 10.533 -23.419 -1.725 260 HD11 ILE 35 HD11 ILE 35 11.037 -25.522 -1.688 261 HD12 ILE 35 HD12 ILE 35 12.266 -25.098 -2.880 262 HD13 ILE 35 HD13 ILE 35 12.484 -26.515 -1.854 263 H TRP 36 H TRP 36 11.780 -22.875 3.332 264 HA TRP 36 HA TRP 36 13.671 -24.907 4.286 265 HB2 TRP 36 HB2 TRP 36 12.039 -22.821 5.737 266 HB3 TRP 36 HB3 TRP 36 12.921 -24.097 6.571 267 HD1 TRP 36 HD1 TRP 36 13.340 -20.643 5.420 268 HE1 TRP 36 HE1 TRP 36 15.819 -19.954 5.453 269 HE3 TRP 36 HE3 TRP 36 15.460 -25.264 5.960 270 HZ2 TRP 36 HZ2 TRP 36 18.341 -21.203 5.678 271 HZ3 TRP 36 HZ3 TRP 36 17.912 -25.430 6.075 272 HH2 TRP 36 HH2 TRP 36 19.321 -23.440 5.936 Start of MODEL 2 1 H SER 1 H SER 1 -0.160 -2.266 -2.201 2 HA SER 1 HA SER 1 0.720 -4.044 -4.332 3 HB2 SER 1 HB2 SER 1 1.075 -1.046 -4.407 4 HB3 SER 1 HB3 SER 1 2.075 -2.149 -5.351 5 HG SER 1 HG SER 1 0.179 -1.297 -6.451 6 H GLU 2 H GLU 2 3.024 -4.382 -4.352 7 HA GLU 2 HA GLU 2 4.379 -3.517 -1.886 8 HB2 GLU 2 HB2 GLU 2 4.007 -6.270 -2.977 9 HB3 GLU 2 HB3 GLU 2 5.519 -5.893 -2.163 10 HG2 GLU 2 HG2 GLU 2 3.911 -4.960 -0.308 11 HG3 GLU 2 HG3 GLU 2 2.763 -6.063 -1.066 12 H ASP 3 H ASP 3 6.409 -2.788 -2.133 13 HA ASP 3 HA ASP 3 7.578 -2.947 -4.827 14 HB2 ASP 3 HB2 ASP 3 8.971 -0.967 -3.970 15 HB3 ASP 3 HB3 ASP 3 7.266 -0.675 -4.301 16 H CYS 4 H CYS 4 8.592 -4.955 -4.557 17 HA CYS 4 HA CYS 4 10.913 -4.898 -2.745 18 HB2 CYS 4 HB2 CYS 4 10.654 -7.431 -2.666 19 HB3 CYS 4 HB3 CYS 4 9.453 -6.495 -1.780 20 H LEU 5 H LEU 5 12.501 -6.752 -3.467 21 HA LEU 5 HA LEU 5 13.042 -6.260 -6.300 22 HB2 LEU 5 HB2 LEU 5 14.733 -7.195 -4.003 23 HB3 LEU 5 HB3 LEU 5 15.282 -7.323 -5.672 24 HG LEU 5 HG LEU 5 14.462 -4.702 -4.446 25 HD11 LEU 5 HD11 LEU 5 17.110 -4.500 -4.450 26 HD12 LEU 5 HD12 LEU 5 16.981 -6.233 -4.152 27 HD13 LEU 5 HD13 LEU 5 16.211 -5.090 -3.052 28 HD21 LEU 5 HD21 LEU 5 16.522 -4.774 -6.504 29 HD22 LEU 5 HD22 LEU 5 15.060 -3.794 -6.397 30 HD23 LEU 5 HD23 LEU 5 14.978 -5.432 -7.046 31 H GLY 6 H GLY 6 13.687 -7.979 -7.706 32 HA2 GLY 6 HA2 GLY 6 12.219 -10.436 -7.157 33 HA3 GLY 6 HA3 GLY 6 12.898 -9.951 -8.704 34 H ALA 7 H ALA 7 13.893 -11.926 -9.077 35 HA ALA 7 HA ALA 7 15.827 -12.916 -7.140 36 HB1 ALA 7 HB1 ALA 7 14.758 -14.735 -8.009 37 HB2 ALA 7 HB2 ALA 7 14.557 -13.998 -9.599 38 HB3 ALA 7 HB3 ALA 7 16.126 -14.641 -9.118 39 H PHE 8 H PHE 8 18.031 -13.056 -7.486 40 HA PHE 8 HA PHE 8 20.079 -12.398 -8.222 41 HB2 PHE 8 HB2 PHE 8 18.830 -12.146 -10.959 42 HB3 PHE 8 HB3 PHE 8 20.515 -12.475 -10.570 43 HD1 PHE 8 HD1 PHE 8 17.993 -13.967 -12.084 44 HD2 PHE 8 HD2 PHE 8 20.389 -14.593 -8.623 45 HE1 PHE 8 HE1 PHE 8 17.545 -16.382 -12.216 46 HE2 PHE 8 HE2 PHE 8 19.946 -17.010 -8.750 47 HZ PHE 8 HZ PHE 8 18.523 -17.907 -10.548 48 H SER 9 H SER 9 17.997 -10.408 -7.441 49 HA SER 9 HA SER 9 18.714 -8.065 -9.016 50 HB2 SER 9 HB2 SER 9 16.359 -8.687 -7.978 51 HB3 SER 9 HB3 SER 9 17.026 -7.891 -6.554 52 HG SER 9 HG SER 9 17.090 -6.684 -9.108 53 H ARG 10 H ARG 10 19.625 -6.172 -8.087 54 HA ARG 10 HA ARG 10 21.835 -6.622 -6.431 55 HB2 ARG 10 HB2 ARG 10 22.198 -4.266 -6.495 56 HB3 ARG 10 HB3 ARG 10 21.531 -4.723 -8.056 57 HG2 ARG 10 HG2 ARG 10 19.258 -4.069 -6.972 58 HG3 ARG 10 HG3 ARG 10 20.274 -3.175 -5.839 59 HD2 ARG 10 HD2 ARG 10 21.364 -2.090 -7.819 60 HD3 ARG 10 HD3 ARG 10 20.141 -2.856 -8.832 61 HE ARG 10 HE ARG 10 18.952 -1.378 -6.716 62 HH11 ARG 10 HH11 ARG 10 20.496 -1.033 -9.817 63 HH12 ARG 10 HH12 ARG 10 19.691 0.453 -10.199 64 HH21 ARG 10 HH21 ARG 10 17.886 0.578 -7.206 65 HH22 ARG 10 HH22 ARG 10 18.208 1.369 -8.713 66 H CYS 11 H CYS 11 22.150 -6.552 -4.284 67 HA CYS 11 HA CYS 11 20.556 -5.127 -2.448 68 HB2 CYS 11 HB2 CYS 11 19.296 -6.850 -1.386 69 HB3 CYS 11 HB3 CYS 11 18.959 -6.971 -3.111 70 H SER 12 H SER 12 21.255 -5.398 -0.253 71 HA SER 12 HA SER 12 23.914 -6.648 -0.079 72 HB2 SER 12 HB2 SER 12 22.739 -4.172 1.101 73 HB3 SER 12 HB3 SER 12 23.964 -5.032 2.033 74 HG SER 12 HG SER 12 24.860 -3.441 0.632 75 HA PRO 13 HA PRO 13 22.634 -9.442 3.051 76 HB2 PRO 13 HB2 PRO 13 24.763 -9.444 4.735 77 HB3 PRO 13 HB3 PRO 13 24.805 -10.192 3.135 78 HG2 PRO 13 HG2 PRO 13 25.834 -7.518 4.003 79 HG3 PRO 13 HG3 PRO 13 26.591 -8.717 2.940 80 HD2 PRO 13 HD2 PRO 13 25.313 -6.527 1.990 81 HD3 PRO 13 HD3 PRO 13 25.343 -8.070 1.113 82 H LYS 14 H LYS 14 23.823 -6.314 4.166 83 HA LYS 14 HA LYS 14 22.540 -6.593 6.749 84 HB2 LYS 14 HB2 LYS 14 24.750 -5.379 6.307 85 HB3 LYS 14 HB3 LYS 14 23.775 -4.085 5.625 86 HG2 LYS 14 HG2 LYS 14 22.672 -3.729 7.726 87 HG3 LYS 14 HG3 LYS 14 23.471 -5.138 8.429 88 HD2 LYS 14 HD2 LYS 14 24.652 -3.228 9.200 89 HD3 LYS 14 HD3 LYS 14 25.664 -3.984 7.967 90 HE2 LYS 14 HE2 LYS 14 24.829 -2.366 6.316 91 HE3 LYS 14 HE3 LYS 14 23.856 -1.601 7.572 92 HZ1 LYS 14 HZ1 LYS 14 25.605 -0.461 8.285 93 HZ2 LYS 14 HZ2 LYS 14 26.433 -0.971 6.902 94 HZ3 LYS 14 HZ3 LYS 14 26.588 -1.836 8.348 95 H ASN 15 H ASN 15 22.039 -4.864 3.723 96 HA ASN 15 HA ASN 15 19.479 -3.856 4.772 97 HB2 ASN 15 HB2 ASN 15 21.367 -2.801 2.687 98 HB3 ASN 15 HB3 ASN 15 19.669 -2.333 2.670 99 HD21 ASN 15 HD21 ASN 15 22.337 -0.980 3.312 100 HD22 ASN 15 HD22 ASN 15 22.017 -0.145 4.790 101 H ASP 16 H ASP 16 19.742 -6.532 3.907 102 HA ASP 16 HA ASP 16 19.026 -7.006 1.253 103 HB2 ASP 16 HB2 ASP 16 19.639 -8.925 2.410 104 HB3 ASP 16 HB3 ASP 16 18.650 -8.519 3.810 105 H LYS 17 H LYS 17 17.398 -5.997 0.262 106 HA LYS 17 HA LYS 17 14.769 -5.985 1.595 107 HB2 LYS 17 HB2 LYS 17 15.995 -3.901 -0.215 108 HB3 LYS 17 HB3 LYS 17 14.291 -3.924 0.221 109 HG2 LYS 17 HG2 LYS 17 14.729 -3.415 2.452 110 HG3 LYS 17 HG3 LYS 17 16.425 -3.886 2.322 111 HD2 LYS 17 HD2 LYS 17 16.990 -1.943 1.139 112 HD3 LYS 17 HD3 LYS 17 15.307 -1.592 0.740 113 HE2 LYS 17 HE2 LYS 17 14.827 -0.995 3.007 114 HE3 LYS 17 HE3 LYS 17 16.408 -1.559 3.546 115 HZ1 LYS 17 HZ1 LYS 17 16.791 0.339 1.525 116 HZ2 LYS 17 HZ2 LYS 17 17.216 0.448 3.158 117 HZ3 LYS 17 HZ3 LYS 17 15.699 0.991 2.642 118 H CYS 18 H CYS 18 14.763 -8.159 0.466 119 HA CYS 18 HA CYS 18 13.822 -7.824 -2.307 120 HB2 CYS 18 HB2 CYS 18 15.190 -10.230 -1.085 121 HB3 CYS 18 HB3 CYS 18 14.570 -10.137 -2.729 122 H CYS 19 H CYS 19 12.155 -9.330 -2.998 123 HA CYS 19 HA CYS 19 9.923 -9.377 -1.415 124 HB2 CYS 19 HB2 CYS 19 10.789 -10.825 -3.838 125 HB3 CYS 19 HB3 CYS 19 9.481 -11.586 -2.937 126 HA PRO 20 HA PRO 20 10.217 -12.597 1.549 127 HB2 PRO 20 HB2 PRO 20 7.768 -13.763 1.443 128 HB3 PRO 20 HB3 PRO 20 8.038 -12.157 2.129 129 HG2 PRO 20 HG2 PRO 20 7.025 -12.912 -0.585 130 HG3 PRO 20 HG3 PRO 20 6.447 -11.646 0.513 131 HD2 PRO 20 HD2 PRO 20 8.054 -11.118 -1.602 132 HD3 PRO 20 HD3 PRO 20 8.116 -10.178 -0.097 133 H ASN 21 H ASN 21 10.209 -14.920 1.913 134 HA ASN 21 HA ASN 21 10.641 -17.084 1.351 135 HB2 ASN 21 HB2 ASN 21 8.453 -16.550 -0.075 136 HB3 ASN 21 HB3 ASN 21 9.576 -16.766 -1.415 137 HD21 ASN 21 HD21 ASN 21 7.420 -18.431 -1.044 138 HD22 ASN 21 HD22 ASN 21 7.982 -20.006 -0.607 139 H TYR 22 H TYR 22 12.346 -14.698 0.505 140 HA TYR 22 HA TYR 22 14.031 -16.164 -1.419 141 HB2 TYR 22 HB2 TYR 22 13.443 -13.219 -1.208 142 HB3 TYR 22 HB3 TYR 22 14.888 -13.810 -2.022 143 HD1 TYR 22 HD1 TYR 22 11.385 -13.147 -2.329 144 HD2 TYR 22 HD2 TYR 22 14.582 -15.423 -3.973 145 HE1 TYR 22 HE1 TYR 22 10.081 -13.481 -4.387 146 HE2 TYR 22 HE2 TYR 22 13.287 -15.763 -6.036 147 HH TYR 22 HH TYR 22 11.419 -15.288 -7.137 148 H LYS 23 H LYS 23 16.341 -14.886 -1.330 149 HA LYS 23 HA LYS 23 17.147 -14.360 1.404 150 HB2 LYS 23 HB2 LYS 23 17.215 -16.891 1.002 151 HB3 LYS 23 HB3 LYS 23 18.553 -16.565 -0.091 152 HG2 LYS 23 HG2 LYS 23 19.611 -17.098 1.896 153 HG3 LYS 23 HG3 LYS 23 19.604 -15.334 1.911 154 HD2 LYS 23 HD2 LYS 23 17.285 -15.759 3.156 155 HD3 LYS 23 HD3 LYS 23 18.104 -17.259 3.595 156 HE2 LYS 23 HE2 LYS 23 20.017 -15.906 4.421 157 HE3 LYS 23 HE3 LYS 23 19.078 -14.450 4.095 158 HZ1 LYS 23 HZ1 LYS 23 18.960 -15.168 6.426 159 HZ2 LYS 23 HZ2 LYS 23 18.238 -16.618 5.940 160 HZ3 LYS 23 HZ3 LYS 23 17.439 -15.149 5.685 161 H CYS 24 H CYS 24 19.030 -13.179 1.557 162 HA CYS 24 HA CYS 24 20.184 -12.315 -1.011 163 HB2 CYS 24 HB2 CYS 24 18.955 -10.642 0.527 164 HB3 CYS 24 HB3 CYS 24 20.377 -10.760 1.558 165 H SER 25 H SER 25 21.890 -13.680 -1.265 166 HA SER 25 HA SER 25 23.671 -14.268 0.937 167 HB2 SER 25 HB2 SER 25 23.053 -15.463 -1.575 168 HB3 SER 25 HB3 SER 25 24.778 -15.098 -1.559 169 HG SER 25 HG SER 25 23.322 -16.622 0.339 170 H SER 26 H SER 26 25.565 -13.313 1.372 171 HA SER 26 HA SER 26 26.237 -10.857 0.116 172 HB2 SER 26 HB2 SER 26 27.967 -10.679 1.716 173 HB3 SER 26 HB3 SER 26 26.689 -11.569 2.542 174 HG SER 26 HG SER 26 29.195 -12.318 2.128 175 H LYS 27 H LYS 27 27.134 -14.139 -0.435 176 HA LYS 27 HA LYS 27 29.634 -13.942 -1.584 177 HB2 LYS 27 HB2 LYS 27 27.290 -15.740 -2.094 178 HB3 LYS 27 HB3 LYS 27 28.721 -15.861 -3.110 179 HG2 LYS 27 HG2 LYS 27 29.032 -17.469 -1.450 180 HG3 LYS 27 HG3 LYS 27 30.035 -16.108 -0.943 181 HD2 LYS 27 HD2 LYS 27 28.519 -15.473 0.733 182 HD3 LYS 27 HD3 LYS 27 27.218 -16.448 0.044 183 HE2 LYS 27 HE2 LYS 27 29.750 -17.668 1.110 184 HE3 LYS 27 HE3 LYS 27 28.359 -17.339 2.142 185 HZ1 LYS 27 HZ1 LYS 27 27.148 -18.649 0.216 186 HZ2 LYS 27 HZ2 LYS 27 27.869 -19.447 1.521 187 HZ3 LYS 27 HZ3 LYS 27 28.683 -19.342 0.043 188 H ASP 28 H ASP 28 26.551 -13.903 -3.385 189 HA ASP 28 HA ASP 28 27.922 -12.584 -5.609 190 HB2 ASP 28 HB2 ASP 28 25.538 -14.300 -5.334 191 HB3 ASP 28 HB3 ASP 28 25.380 -12.986 -6.498 192 H LEU 29 H LEU 29 25.936 -11.858 -2.966 193 HA LEU 29 HA LEU 29 24.940 -9.945 -2.247 194 HB2 LEU 29 HB2 LEU 29 26.214 -8.578 -4.604 195 HB3 LEU 29 HB3 LEU 29 25.699 -7.852 -3.084 196 HG LEU 29 HG LEU 29 27.881 -9.905 -3.128 197 HD11 LEU 29 HD11 LEU 29 29.134 -7.441 -3.025 198 HD12 LEU 29 HD12 LEU 29 27.965 -7.274 -4.334 199 HD13 LEU 29 HD13 LEU 29 29.154 -8.576 -4.375 200 HD21 LEU 29 HD21 LEU 29 27.668 -7.514 -1.346 201 HD22 LEU 29 HD22 LEU 29 28.432 -9.076 -1.044 202 HD23 LEU 29 HD23 LEU 29 26.673 -8.939 -1.039 203 H TRP 30 H TRP 30 23.421 -11.635 -3.833 204 HA TRP 30 HA TRP 30 21.594 -9.704 -5.070 205 HB2 TRP 30 HB2 TRP 30 21.144 -11.278 -6.922 206 HB3 TRP 30 HB3 TRP 30 22.815 -10.719 -6.917 207 HD1 TRP 30 HD1 TRP 30 22.492 -13.253 -4.287 208 HE1 TRP 30 HE1 TRP 30 23.349 -15.540 -5.100 209 HE3 TRP 30 HE3 TRP 30 22.741 -12.289 -9.301 210 HZ2 TRP 30 HZ2 TRP 30 24.040 -16.772 -7.544 211 HZ3 TRP 30 HZ3 TRP 30 23.512 -14.075 -10.808 212 HH2 TRP 30 HH2 TRP 30 24.148 -16.268 -9.946 213 H CYS 31 H CYS 31 19.547 -11.258 -5.805 214 HA CYS 31 HA CYS 31 18.672 -12.413 -3.255 215 HB2 CYS 31 HB2 CYS 31 16.937 -11.716 -5.627 216 HB3 CYS 31 HB3 CYS 31 16.427 -12.009 -3.967 217 H LYS 32 H LYS 32 17.913 -14.478 -3.078 218 HA LYS 32 HA LYS 32 17.854 -16.142 -5.495 219 HB2 LYS 32 HB2 LYS 32 19.289 -16.854 -2.929 220 HB3 LYS 32 HB3 LYS 32 19.050 -17.943 -4.290 221 HG2 LYS 32 HG2 LYS 32 20.269 -15.472 -5.142 222 HG3 LYS 32 HG3 LYS 32 21.202 -16.239 -3.855 223 HD2 LYS 32 HD2 LYS 32 20.261 -17.645 -6.353 224 HD3 LYS 32 HD3 LYS 32 21.870 -16.949 -6.146 225 HE2 LYS 32 HE2 LYS 32 22.232 -18.424 -4.208 226 HE3 LYS 32 HE3 LYS 32 20.643 -19.140 -4.472 227 HZ1 LYS 32 HZ1 LYS 32 23.121 -19.542 -5.931 228 HZ2 LYS 32 HZ2 LYS 32 21.722 -19.455 -6.877 229 HZ3 LYS 32 HZ3 LYS 32 21.843 -20.614 -5.650 230 H TYR 33 H TYR 33 16.509 -17.973 -5.372 231 HA TYR 33 HA TYR 33 14.286 -17.658 -3.568 232 HB2 TYR 33 HB2 TYR 33 13.213 -19.383 -4.866 233 HB3 TYR 33 HB3 TYR 33 14.010 -18.271 -5.973 234 HD1 TYR 33 HD1 TYR 33 15.993 -18.965 -7.221 235 HD2 TYR 33 HD2 TYR 33 13.976 -21.665 -4.623 236 HE1 TYR 33 HE1 TYR 33 17.184 -20.849 -8.262 237 HE2 TYR 33 HE2 TYR 33 15.162 -23.555 -5.656 238 HH TYR 33 HH TYR 33 16.813 -24.152 -7.051 239 H LYS 34 H LYS 34 13.871 -18.776 -1.767 240 HA LYS 34 HA LYS 34 15.371 -21.245 -1.245 241 HB2 LYS 34 HB2 LYS 34 15.394 -18.733 0.338 242 HB3 LYS 34 HB3 LYS 34 15.308 -20.239 1.243 243 HG2 LYS 34 HG2 LYS 34 17.412 -19.609 -0.815 244 HG3 LYS 34 HG3 LYS 34 17.611 -19.390 0.925 245 HD2 LYS 34 HD2 LYS 34 17.048 -21.841 1.170 246 HD3 LYS 34 HD3 LYS 34 17.192 -21.963 -0.584 247 HE2 LYS 34 HE2 LYS 34 19.329 -21.173 1.385 248 HE3 LYS 34 HE3 LYS 34 19.279 -22.620 0.381 249 HZ1 LYS 34 HZ1 LYS 34 20.182 -19.978 -0.272 250 HZ2 LYS 34 HZ2 LYS 34 19.098 -20.593 -1.415 251 HZ3 LYS 34 HZ3 LYS 34 20.508 -21.450 -1.039 252 H ILE 35 H ILE 35 14.289 -22.785 -0.056 253 HA ILE 35 HA ILE 35 11.613 -22.116 0.938 254 HB ILE 35 HB ILE 35 10.806 -24.328 -0.008 255 HG12 ILE 35 HG12 ILE 35 12.776 -24.142 -2.190 256 HG13 ILE 35 HG13 ILE 35 13.431 -24.707 -0.657 257 HG21 ILE 35 HG21 ILE 35 10.302 -23.365 -2.201 258 HG22 ILE 35 HG22 ILE 35 10.108 -22.178 -0.911 259 HG23 ILE 35 HG23 ILE 35 11.538 -22.134 -1.943 260 HD11 ILE 35 HD11 ILE 35 10.916 -25.962 -1.542 261 HD12 ILE 35 HD12 ILE 35 12.359 -26.325 -2.489 262 HD13 ILE 35 HD13 ILE 35 12.331 -26.667 -0.759 263 H TRP 36 H TRP 36 11.271 -22.892 2.911 264 HA TRP 36 HA TRP 36 13.213 -24.703 4.080 265 HB2 TRP 36 HB2 TRP 36 12.126 -22.574 5.160 266 HB3 TRP 36 HB3 TRP 36 10.811 -23.679 5.550 267 HD1 TRP 36 HD1 TRP 36 14.685 -23.811 5.936 268 HE1 TRP 36 HE1 TRP 36 15.205 -24.742 8.279 269 HE3 TRP 36 HE3 TRP 36 9.906 -24.542 7.599 270 HZ2 TRP 36 HZ2 TRP 36 13.778 -25.664 10.533 271 HZ3 TRP 36 HZ3 TRP 36 9.569 -25.452 9.859 272 HH2 TRP 36 HH2 TRP 36 11.467 -26.002 11.294 Start of MODEL 3 1 H SER 1 H SER 1 0.803 -3.108 -6.932 2 HA SER 1 HA SER 1 1.271 -1.139 -4.976 3 HB2 SER 1 HB2 SER 1 -0.165 -3.777 -4.980 4 HB3 SER 1 HB3 SER 1 0.043 -2.883 -3.474 5 HG SER 1 HG SER 1 -1.903 -2.510 -4.966 6 H GLU 2 H GLU 2 2.684 -4.284 -5.541 7 HA GLU 2 HA GLU 2 4.066 -4.291 -2.988 8 HB2 GLU 2 HB2 GLU 2 3.893 -6.199 -5.296 9 HB3 GLU 2 HB3 GLU 2 5.151 -6.386 -4.083 10 HG2 GLU 2 HG2 GLU 2 3.244 -6.331 -2.376 11 HG3 GLU 2 HG3 GLU 2 2.185 -6.611 -3.758 12 H ASP 3 H ASP 3 6.019 -3.466 -2.653 13 HA ASP 3 HA ASP 3 7.691 -2.840 -4.999 14 HB2 ASP 3 HB2 ASP 3 7.416 -1.353 -2.380 15 HB3 ASP 3 HB3 ASP 3 8.650 -0.999 -3.587 16 H CYS 4 H CYS 4 8.730 -4.877 -4.879 17 HA CYS 4 HA CYS 4 10.836 -4.956 -2.856 18 HB2 CYS 4 HB2 CYS 4 10.475 -7.441 -2.605 19 HB3 CYS 4 HB3 CYS 4 9.228 -6.429 -1.883 20 H LEU 5 H LEU 5 12.677 -6.203 -3.472 21 HA LEU 5 HA LEU 5 13.207 -6.092 -6.281 22 HB2 LEU 5 HB2 LEU 5 14.802 -7.094 -3.934 23 HB3 LEU 5 HB3 LEU 5 15.406 -7.122 -5.591 24 HG LEU 5 HG LEU 5 14.609 -4.623 -4.099 25 HD11 LEU 5 HD11 LEU 5 17.181 -6.096 -4.323 26 HD12 LEU 5 HD12 LEU 5 16.513 -5.181 -2.972 27 HD13 LEU 5 HD13 LEU 5 17.216 -4.334 -4.349 28 HD21 LEU 5 HD21 LEU 5 15.163 -5.188 -6.861 29 HD22 LEU 5 HD22 LEU 5 16.372 -4.083 -6.208 30 HD23 LEU 5 HD23 LEU 5 14.658 -3.676 -6.106 31 H GLY 6 H GLY 6 13.654 -7.791 -7.697 32 HA2 GLY 6 HA2 GLY 6 12.197 -10.231 -7.108 33 HA3 GLY 6 HA3 GLY 6 12.895 -9.777 -8.656 34 H ALA 7 H ALA 7 13.837 -11.794 -8.988 35 HA ALA 7 HA ALA 7 15.751 -12.784 -7.033 36 HB1 ALA 7 HB1 ALA 7 15.924 -14.739 -8.459 37 HB2 ALA 7 HB2 ALA 7 14.230 -14.358 -8.148 38 HB3 ALA 7 HB3 ALA 7 14.956 -13.943 -9.701 39 H PHE 8 H PHE 8 17.952 -12.985 -7.380 40 HA PHE 8 HA PHE 8 20.013 -12.392 -8.134 41 HB2 PHE 8 HB2 PHE 8 18.747 -12.165 -10.866 42 HB3 PHE 8 HB3 PHE 8 20.435 -12.494 -10.490 43 HD1 PHE 8 HD1 PHE 8 17.876 -13.998 -11.941 44 HD2 PHE 8 HD2 PHE 8 20.333 -14.580 -8.513 45 HE1 PHE 8 HE1 PHE 8 17.415 -16.414 -12.023 46 HE2 PHE 8 HE2 PHE 8 19.876 -16.996 -8.591 47 HZ PHE 8 HZ PHE 8 18.417 -17.916 -10.348 48 H SER 9 H SER 9 17.966 -10.339 -7.392 49 HA SER 9 HA SER 9 18.739 -8.040 -9.000 50 HB2 SER 9 HB2 SER 9 16.369 -8.514 -8.059 51 HB3 SER 9 HB3 SER 9 17.020 -7.916 -6.533 52 HG SER 9 HG SER 9 16.531 -6.554 -8.922 53 H ARG 10 H ARG 10 19.713 -6.160 -8.116 54 HA ARG 10 HA ARG 10 21.911 -6.638 -6.453 55 HB2 ARG 10 HB2 ARG 10 21.371 -4.691 -8.144 56 HB3 ARG 10 HB3 ARG 10 20.769 -3.886 -6.700 57 HG2 ARG 10 HG2 ARG 10 22.927 -3.143 -6.732 58 HG3 ARG 10 HG3 ARG 10 23.099 -4.578 -5.721 59 HD2 ARG 10 HD2 ARG 10 23.477 -4.702 -8.694 60 HD3 ARG 10 HD3 ARG 10 24.790 -4.217 -7.621 61 HE ARG 10 HE ARG 10 23.885 -6.560 -6.563 62 HH11 ARG 10 HH11 ARG 10 25.038 -5.564 -9.694 63 HH12 ARG 10 HH12 ARG 10 25.691 -7.119 -10.093 64 HH21 ARG 10 HH21 ARG 10 24.741 -8.612 -7.077 65 HH22 ARG 10 HH22 ARG 10 25.520 -8.852 -8.604 66 H CYS 11 H CYS 11 22.150 -6.707 -4.315 67 HA CYS 11 HA CYS 11 20.602 -5.146 -2.504 68 HB2 CYS 11 HB2 CYS 11 19.341 -6.850 -1.406 69 HB3 CYS 11 HB3 CYS 11 18.995 -6.991 -3.127 70 H SER 12 H SER 12 21.273 -5.422 -0.286 71 HA SER 12 HA SER 12 23.946 -6.639 -0.096 72 HB2 SER 12 HB2 SER 12 24.528 -4.580 0.601 73 HB3 SER 12 HB3 SER 12 22.844 -4.091 0.795 74 HG SER 12 HG SER 12 24.196 -4.191 2.759 75 HA PRO 13 HA PRO 13 22.680 -9.453 3.020 76 HB2 PRO 13 HB2 PRO 13 24.801 -9.437 4.714 77 HB3 PRO 13 HB3 PRO 13 24.857 -10.181 3.112 78 HG2 PRO 13 HG2 PRO 13 25.853 -7.499 3.991 79 HG3 PRO 13 HG3 PRO 13 26.629 -8.687 2.927 80 HD2 PRO 13 HD2 PRO 13 25.333 -6.509 1.976 81 HD3 PRO 13 HD3 PRO 13 25.382 -8.050 1.098 82 H LYS 14 H LYS 14 23.831 -6.316 4.146 83 HA LYS 14 HA LYS 14 22.528 -6.615 6.720 84 HB2 LYS 14 HB2 LYS 14 23.840 -4.150 5.571 85 HB3 LYS 14 HB3 LYS 14 23.466 -4.466 7.261 86 HG2 LYS 14 HG2 LYS 14 25.053 -6.464 7.040 87 HG3 LYS 14 HG3 LYS 14 25.600 -5.690 5.551 88 HD2 LYS 14 HD2 LYS 14 27.084 -4.861 7.129 89 HD3 LYS 14 HD3 LYS 14 25.871 -3.582 7.032 90 HE2 LYS 14 HE2 LYS 14 24.809 -4.357 9.039 91 HE3 LYS 14 HE3 LYS 14 25.838 -5.789 9.086 92 HZ1 LYS 14 HZ1 LYS 14 26.826 -2.999 9.330 93 HZ2 LYS 14 HZ2 LYS 14 27.741 -4.411 9.502 94 HZ3 LYS 14 HZ3 LYS 14 26.545 -4.035 10.637 95 H ASN 15 H ASN 15 22.056 -4.869 3.698 96 HA ASN 15 HA ASN 15 19.487 -3.865 4.726 97 HB2 ASN 15 HB2 ASN 15 21.240 -2.211 3.882 98 HB3 ASN 15 HB3 ASN 15 20.918 -2.850 2.273 99 HD21 ASN 15 HD21 ASN 15 20.491 -0.313 2.420 100 HD22 ASN 15 HD22 ASN 15 18.816 0.087 2.558 101 H ASP 16 H ASP 16 19.759 -6.542 3.861 102 HA ASP 16 HA ASP 16 19.060 -7.014 1.201 103 HB2 ASP 16 HB2 ASP 16 19.673 -8.929 2.371 104 HB3 ASP 16 HB3 ASP 16 18.657 -8.531 3.753 105 H LYS 17 H LYS 17 17.446 -5.968 0.217 106 HA LYS 17 HA LYS 17 14.810 -5.953 1.537 107 HB2 LYS 17 HB2 LYS 17 16.095 -3.713 1.071 108 HB3 LYS 17 HB3 LYS 17 15.535 -3.962 -0.579 109 HG2 LYS 17 HG2 LYS 17 13.445 -4.266 1.444 110 HG3 LYS 17 HG3 LYS 17 14.159 -2.652 1.372 111 HD2 LYS 17 HD2 LYS 17 13.831 -3.037 -1.234 112 HD3 LYS 17 HD3 LYS 17 12.567 -4.127 -0.661 113 HE2 LYS 17 HE2 LYS 17 11.413 -2.387 0.421 114 HE3 LYS 17 HE3 LYS 17 12.797 -1.299 0.328 115 HZ1 LYS 17 HZ1 LYS 17 12.120 -0.571 -1.637 116 HZ2 LYS 17 HZ2 LYS 17 10.690 -1.453 -1.437 117 HZ3 LYS 17 HZ3 LYS 17 11.999 -2.139 -2.262 118 H CYS 18 H CYS 18 14.795 -8.145 0.444 119 HA CYS 18 HA CYS 18 13.858 -7.852 -2.336 120 HB2 CYS 18 HB2 CYS 18 15.207 -10.248 -1.070 121 HB3 CYS 18 HB3 CYS 18 14.593 -10.175 -2.718 122 H CYS 19 H CYS 19 12.181 -9.360 -3.002 123 HA CYS 19 HA CYS 19 9.947 -9.365 -1.422 124 HB2 CYS 19 HB2 CYS 19 10.801 -10.811 -3.837 125 HB3 CYS 19 HB3 CYS 19 9.536 -11.620 -2.919 126 HA PRO 20 HA PRO 20 10.217 -12.539 1.593 127 HB2 PRO 20 HB2 PRO 20 7.761 -13.695 1.500 128 HB3 PRO 20 HB3 PRO 20 8.038 -12.080 2.160 129 HG2 PRO 20 HG2 PRO 20 7.028 -12.873 -0.544 130 HG3 PRO 20 HG3 PRO 20 6.453 -11.586 0.532 131 HD2 PRO 20 HD2 PRO 20 8.068 -11.100 -1.586 132 HD3 PRO 20 HD3 PRO 20 8.133 -10.137 -0.096 133 H ASN 21 H ASN 21 10.211 -14.853 1.992 134 HA ASN 21 HA ASN 21 10.632 -17.027 1.467 135 HB2 ASN 21 HB2 ASN 21 9.463 -16.599 -1.270 136 HB3 ASN 21 HB3 ASN 21 9.441 -18.053 -0.275 137 HD21 ASN 21 HD21 ASN 21 8.287 -17.718 1.885 138 HD22 ASN 21 HD22 ASN 21 6.775 -16.886 1.805 139 H TYR 22 H TYR 22 12.358 -14.679 0.603 140 HA TYR 22 HA TYR 22 14.024 -16.171 -1.317 141 HB2 TYR 22 HB2 TYR 22 13.451 -13.223 -1.132 142 HB3 TYR 22 HB3 TYR 22 14.902 -13.822 -1.929 143 HD1 TYR 22 HD1 TYR 22 11.397 -13.169 -2.264 144 HD2 TYR 22 HD2 TYR 22 14.615 -15.437 -3.877 145 HE1 TYR 22 HE1 TYR 22 10.109 -13.517 -4.330 146 HE2 TYR 22 HE2 TYR 22 13.336 -15.791 -5.947 147 HH TYR 22 HH TYR 22 10.623 -14.024 -6.756 148 H LYS 23 H LYS 23 16.345 -14.913 -1.242 149 HA LYS 23 HA LYS 23 17.164 -14.359 1.481 150 HB2 LYS 23 HB2 LYS 23 17.185 -16.914 1.069 151 HB3 LYS 23 HB3 LYS 23 18.584 -16.592 0.051 152 HG2 LYS 23 HG2 LYS 23 19.600 -15.427 2.059 153 HG3 LYS 23 HG3 LYS 23 18.294 -16.145 3.005 154 HD2 LYS 23 HD2 LYS 23 19.979 -17.708 3.249 155 HD3 LYS 23 HD3 LYS 23 19.067 -18.366 1.889 156 HE2 LYS 23 HE2 LYS 23 21.309 -16.492 1.325 157 HE3 LYS 23 HE3 LYS 23 21.697 -18.140 1.813 158 HZ1 LYS 23 HZ1 LYS 23 21.544 -18.410 -0.424 159 HZ2 LYS 23 HZ2 LYS 23 20.401 -17.180 -0.627 160 HZ3 LYS 23 HZ3 LYS 23 19.924 -18.688 -0.025 161 H CYS 24 H CYS 24 19.038 -13.176 1.602 162 HA CYS 24 HA CYS 24 20.229 -12.413 -0.981 163 HB2 CYS 24 HB2 CYS 24 18.996 -10.673 0.465 164 HB3 CYS 24 HB3 CYS 24 20.388 -10.771 1.538 165 H SER 25 H SER 25 22.003 -13.640 -1.231 166 HA SER 25 HA SER 25 23.734 -14.210 1.036 167 HB2 SER 25 HB2 SER 25 23.187 -15.443 -1.513 168 HB3 SER 25 HB3 SER 25 24.921 -15.175 -1.333 169 HG SER 25 HG SER 25 23.190 -16.613 0.385 170 H SER 26 H SER 26 25.670 -13.297 1.415 171 HA SER 26 HA SER 26 26.336 -10.858 0.122 172 HB2 SER 26 HB2 SER 26 27.971 -10.610 1.748 173 HB3 SER 26 HB3 SER 26 26.852 -11.709 2.557 174 HG SER 26 HG SER 26 29.002 -12.444 2.722 175 H LYS 27 H LYS 27 27.167 -14.146 -0.444 176 HA LYS 27 HA LYS 27 29.653 -14.003 -1.630 177 HB2 LYS 27 HB2 LYS 27 27.259 -15.740 -2.127 178 HB3 LYS 27 HB3 LYS 27 28.682 -15.893 -3.149 179 HG2 LYS 27 HG2 LYS 27 28.791 -16.090 -0.152 180 HG3 LYS 27 HG3 LYS 27 28.541 -17.483 -1.206 181 HD2 LYS 27 HD2 LYS 27 30.819 -15.729 -1.882 182 HD3 LYS 27 HD3 LYS 27 30.965 -16.652 -0.385 183 HE2 LYS 27 HE2 LYS 27 30.073 -18.013 -2.891 184 HE3 LYS 27 HE3 LYS 27 31.785 -17.672 -2.643 185 HZ1 LYS 27 HZ1 LYS 27 31.224 -18.772 -0.320 186 HZ2 LYS 27 HZ2 LYS 27 31.679 -19.693 -1.664 187 HZ3 LYS 27 HZ3 LYS 27 30.044 -19.552 -1.249 188 H ASP 28 H ASP 28 26.548 -13.879 -3.386 189 HA ASP 28 HA ASP 28 27.923 -12.550 -5.606 190 HB2 ASP 28 HB2 ASP 28 25.535 -14.271 -5.356 191 HB3 ASP 28 HB3 ASP 28 25.397 -12.955 -6.518 192 H LEU 29 H LEU 29 25.929 -11.868 -2.958 193 HA LEU 29 HA LEU 29 24.918 -9.969 -2.218 194 HB2 LEU 29 HB2 LEU 29 26.195 -8.569 -4.554 195 HB3 LEU 29 HB3 LEU 29 25.666 -7.861 -3.030 196 HG LEU 29 HG LEU 29 27.853 -9.905 -3.062 197 HD11 LEU 29 HD11 LEU 29 27.950 -7.202 -4.184 198 HD12 LEU 29 HD12 LEU 29 29.041 -8.567 -4.409 199 HD13 LEU 29 HD13 LEU 29 29.195 -7.542 -2.984 200 HD21 LEU 29 HD21 LEU 29 26.891 -9.246 -0.922 201 HD22 LEU 29 HD22 LEU 29 27.216 -7.551 -1.285 202 HD23 LEU 29 HD23 LEU 29 28.555 -8.678 -1.065 203 H TRP 30 H TRP 30 23.402 -11.642 -3.809 204 HA TRP 30 HA TRP 30 21.577 -9.707 -5.045 205 HB2 TRP 30 HB2 TRP 30 21.127 -11.284 -6.898 206 HB3 TRP 30 HB3 TRP 30 22.796 -10.717 -6.895 207 HD1 TRP 30 HD1 TRP 30 22.468 -13.261 -4.268 208 HE1 TRP 30 HE1 TRP 30 23.343 -15.541 -5.084 209 HE3 TRP 30 HE3 TRP 30 22.753 -12.276 -9.277 210 HZ2 TRP 30 HZ2 TRP 30 24.058 -16.759 -7.527 211 HZ3 TRP 30 HZ3 TRP 30 23.542 -14.052 -10.785 212 HH2 TRP 30 HH2 TRP 30 24.181 -16.247 -9.926 213 H CYS 31 H CYS 31 19.530 -11.257 -5.784 214 HA CYS 31 HA CYS 31 18.640 -12.400 -3.236 215 HB2 CYS 31 HB2 CYS 31 16.925 -11.750 -5.633 216 HB3 CYS 31 HB3 CYS 31 16.403 -12.016 -3.973 217 H LYS 32 H LYS 32 17.960 -14.477 -3.025 218 HA LYS 32 HA LYS 32 17.930 -16.170 -5.426 219 HB2 LYS 32 HB2 LYS 32 19.335 -16.797 -2.824 220 HB3 LYS 32 HB3 LYS 32 19.088 -17.952 -4.125 221 HG2 LYS 32 HG2 LYS 32 20.282 -15.971 -5.491 222 HG3 LYS 32 HG3 LYS 32 21.007 -15.731 -3.899 223 HD2 LYS 32 HD2 LYS 32 20.898 -18.436 -5.203 224 HD3 LYS 32 HD3 LYS 32 22.209 -17.299 -5.525 225 HE2 LYS 32 HE2 LYS 32 21.497 -17.879 -2.695 226 HE3 LYS 32 HE3 LYS 32 22.378 -19.106 -3.605 227 HZ1 LYS 32 HZ1 LYS 32 24.105 -17.512 -4.066 228 HZ2 LYS 32 HZ2 LYS 32 23.851 -17.590 -2.395 229 HZ3 LYS 32 HZ3 LYS 32 23.245 -16.283 -3.282 230 H TYR 33 H TYR 33 16.382 -17.733 -5.464 231 HA TYR 33 HA TYR 33 14.246 -17.513 -3.567 232 HB2 TYR 33 HB2 TYR 33 13.071 -19.083 -4.972 233 HB3 TYR 33 HB3 TYR 33 13.893 -17.918 -6.004 234 HD1 TYR 33 HD1 TYR 33 15.832 -18.591 -7.338 235 HD2 TYR 33 HD2 TYR 33 13.724 -21.407 -4.944 236 HE1 TYR 33 HE1 TYR 33 16.919 -20.431 -8.556 237 HE2 TYR 33 HE2 TYR 33 14.806 -23.254 -6.155 238 HH TYR 33 HH TYR 33 15.953 -23.294 -8.807 239 H LYS 34 H LYS 34 13.818 -18.748 -1.849 240 HA LYS 34 HA LYS 34 15.212 -21.316 -1.557 241 HB2 LYS 34 HB2 LYS 34 15.370 -18.943 0.223 242 HB3 LYS 34 HB3 LYS 34 15.244 -20.514 1.002 243 HG2 LYS 34 HG2 LYS 34 17.315 -19.860 -1.076 244 HG3 LYS 34 HG3 LYS 34 17.574 -19.673 0.660 245 HD2 LYS 34 HD2 LYS 34 17.041 -22.081 0.945 246 HD3 LYS 34 HD3 LYS 34 16.930 -22.229 -0.810 247 HE2 LYS 34 HE2 LYS 34 19.100 -22.888 -0.459 248 HE3 LYS 34 HE3 LYS 34 19.324 -21.162 -0.740 249 HZ1 LYS 34 HZ1 LYS 34 19.343 -20.830 1.668 250 HZ2 LYS 34 HZ2 LYS 34 20.580 -21.873 1.175 251 HZ3 LYS 34 HZ3 LYS 34 19.190 -22.499 1.909 252 H ILE 35 H ILE 35 14.061 -22.909 -0.542 253 HA ILE 35 HA ILE 35 11.473 -22.215 0.644 254 HB ILE 35 HB ILE 35 10.472 -24.216 -0.551 255 HG12 ILE 35 HG12 ILE 35 12.892 -23.802 -2.320 256 HG13 ILE 35 HG13 ILE 35 12.577 -25.216 -1.321 257 HG21 ILE 35 HG21 ILE 35 11.071 -22.316 -2.700 258 HG22 ILE 35 HG22 ILE 35 9.525 -22.784 -1.996 259 HG23 ILE 35 HG23 ILE 35 10.528 -21.574 -1.195 260 HD11 ILE 35 HD11 ILE 35 11.547 -26.135 -3.043 261 HD12 ILE 35 HD12 ILE 35 10.312 -24.879 -2.938 262 HD13 ILE 35 HD13 ILE 35 11.715 -24.653 -3.982 263 H TRP 36 H TRP 36 11.180 -23.220 2.518 264 HA TRP 36 HA TRP 36 12.527 -25.796 2.972 265 HB2 TRP 36 HB2 TRP 36 13.166 -25.136 5.202 266 HB3 TRP 36 HB3 TRP 36 13.769 -23.928 4.071 267 HD1 TRP 36 HD1 TRP 36 12.825 -21.475 4.278 268 HE1 TRP 36 HE1 TRP 36 11.371 -20.293 6.042 269 HE3 TRP 36 HE3 TRP 36 11.181 -25.573 6.855 270 HZ2 TRP 36 HZ2 TRP 36 9.743 -21.003 8.236 271 HZ3 TRP 36 HZ3 TRP 36 9.679 -25.236 8.774 272 HH2 TRP 36 HH2 TRP 36 8.976 -22.997 9.449 Start of MODEL 4 1 H SER 1 H SER 1 0.092 -1.542 -1.338 2 HA SER 1 HA SER 1 1.178 -1.963 -4.046 3 HB2 SER 1 HB2 SER 1 1.520 0.514 -2.343 4 HB3 SER 1 HB3 SER 1 2.026 0.299 -4.019 5 HG SER 1 HG SER 1 -0.526 0.713 -2.962 6 H GLU 2 H GLU 2 2.697 -3.497 -3.696 7 HA GLU 2 HA GLU 2 4.635 -3.054 -1.529 8 HB2 GLU 2 HB2 GLU 2 3.446 -5.234 -1.558 9 HB3 GLU 2 HB3 GLU 2 4.138 -5.563 -3.140 10 HG2 GLU 2 HG2 GLU 2 5.424 -6.735 -1.529 11 HG3 GLU 2 HG3 GLU 2 6.398 -5.388 -2.114 12 H ASP 3 H ASP 3 6.757 -2.743 -1.943 13 HA ASP 3 HA ASP 3 7.622 -2.854 -4.758 14 HB2 ASP 3 HB2 ASP 3 8.387 -0.780 -2.691 15 HB3 ASP 3 HB3 ASP 3 9.038 -0.879 -4.324 16 H CYS 4 H CYS 4 8.522 -4.920 -4.412 17 HA CYS 4 HA CYS 4 10.896 -4.948 -2.667 18 HB2 CYS 4 HB2 CYS 4 10.624 -7.441 -2.670 19 HB3 CYS 4 HB3 CYS 4 9.310 -6.572 -1.885 20 H LEU 5 H LEU 5 12.424 -6.852 -3.503 21 HA LEU 5 HA LEU 5 13.040 -6.153 -6.282 22 HB2 LEU 5 HB2 LEU 5 14.680 -7.234 -4.015 23 HB3 LEU 5 HB3 LEU 5 15.256 -7.294 -5.679 24 HG LEU 5 HG LEU 5 14.466 -4.724 -4.329 25 HD11 LEU 5 HD11 LEU 5 16.958 -6.309 -4.114 26 HD12 LEU 5 HD12 LEU 5 16.211 -5.204 -2.961 27 HD13 LEU 5 HD13 LEU 5 17.120 -4.567 -4.332 28 HD21 LEU 5 HD21 LEU 5 15.169 -3.692 -6.197 29 HD22 LEU 5 HD22 LEU 5 14.885 -5.260 -6.952 30 HD23 LEU 5 HD23 LEU 5 16.511 -4.811 -6.435 31 H GLY 6 H GLY 6 13.996 -7.901 -7.643 32 HA2 GLY 6 HA2 GLY 6 12.407 -10.351 -7.297 33 HA3 GLY 6 HA3 GLY 6 13.067 -9.767 -8.816 34 H ALA 7 H ALA 7 13.727 -12.098 -8.894 35 HA ALA 7 HA ALA 7 15.801 -13.021 -7.170 36 HB1 ALA 7 HB1 ALA 7 14.201 -14.094 -9.276 37 HB2 ALA 7 HB2 ALA 7 15.898 -14.454 -9.598 38 HB3 ALA 7 HB3 ALA 7 15.166 -14.946 -8.069 39 H PHE 8 H PHE 8 17.990 -13.047 -7.449 40 HA PHE 8 HA PHE 8 20.043 -12.407 -8.186 41 HB2 PHE 8 HB2 PHE 8 18.810 -12.156 -10.931 42 HB3 PHE 8 HB3 PHE 8 20.497 -12.468 -10.533 43 HD1 PHE 8 HD1 PHE 8 17.959 -13.978 -12.037 44 HD2 PHE 8 HD2 PHE 8 20.423 -14.598 -8.622 45 HE1 PHE 8 HE1 PHE 8 17.538 -16.398 -12.177 46 HE2 PHE 8 HE2 PHE 8 20.006 -17.019 -8.757 47 HZ PHE 8 HZ PHE 8 18.561 -17.922 -10.535 48 H SER 9 H SER 9 17.932 -10.431 -7.426 49 HA SER 9 HA SER 9 18.633 -8.080 -8.988 50 HB2 SER 9 HB2 SER 9 16.284 -8.630 -8.057 51 HB3 SER 9 HB3 SER 9 16.921 -8.073 -6.510 52 HG SER 9 HG SER 9 16.147 -6.635 -8.689 53 H ARG 10 H ARG 10 19.564 -6.194 -8.083 54 HA ARG 10 HA ARG 10 21.782 -6.636 -6.437 55 HB2 ARG 10 HB2 ARG 10 22.149 -4.282 -6.519 56 HB3 ARG 10 HB3 ARG 10 21.473 -4.749 -8.074 57 HG2 ARG 10 HG2 ARG 10 19.207 -4.079 -7.004 58 HG3 ARG 10 HG3 ARG 10 20.217 -3.197 -5.856 59 HD2 ARG 10 HD2 ARG 10 20.160 -2.866 -8.852 60 HD3 ARG 10 HD3 ARG 10 19.568 -1.722 -7.649 61 HE ARG 10 HE ARG 10 22.277 -2.079 -8.503 62 HH11 ARG 10 HH11 ARG 10 20.247 -1.084 -5.856 63 HH12 ARG 10 HH12 ARG 10 21.452 -0.060 -5.147 64 HH21 ARG 10 HH21 ARG 10 23.871 -0.734 -7.579 65 HH22 ARG 10 HH22 ARG 10 23.512 0.139 -6.128 66 H CYS 11 H CYS 11 22.110 -6.554 -4.292 67 HA CYS 11 HA CYS 11 20.528 -5.111 -2.457 68 HB2 CYS 11 HB2 CYS 11 19.278 -6.830 -1.371 69 HB3 CYS 11 HB3 CYS 11 18.924 -6.955 -3.091 70 H SER 12 H SER 12 21.231 -5.385 -0.257 71 HA SER 12 HA SER 12 23.903 -6.606 -0.098 72 HB2 SER 12 HB2 SER 12 22.695 -4.158 1.102 73 HB3 SER 12 HB3 SER 12 23.921 -5.012 2.037 74 HG SER 12 HG SER 12 24.522 -3.281 0.373 75 HA PRO 13 HA PRO 13 22.671 -9.453 3.003 76 HB2 PRO 13 HB2 PRO 13 24.803 -9.441 4.685 77 HB3 PRO 13 HB3 PRO 13 24.853 -10.170 3.076 78 HG2 PRO 13 HG2 PRO 13 25.842 -7.491 3.973 79 HG3 PRO 13 HG3 PRO 13 26.617 -8.666 2.895 80 HD2 PRO 13 HD2 PRO 13 25.303 -6.486 1.971 81 HD3 PRO 13 HD3 PRO 13 25.355 -8.019 1.078 82 H LYS 14 H LYS 14 23.812 -6.320 4.150 83 HA LYS 14 HA LYS 14 22.514 -6.650 6.725 84 HB2 LYS 14 HB2 LYS 14 24.270 -4.576 5.478 85 HB3 LYS 14 HB3 LYS 14 23.279 -4.132 6.862 86 HG2 LYS 14 HG2 LYS 14 25.348 -4.732 7.766 87 HG3 LYS 14 HG3 LYS 14 24.311 -6.134 8.043 88 HD2 LYS 14 HD2 LYS 14 25.255 -7.174 5.998 89 HD3 LYS 14 HD3 LYS 14 26.358 -5.804 5.850 90 HE2 LYS 14 HE2 LYS 14 26.235 -7.387 8.387 91 HE3 LYS 14 HE3 LYS 14 27.167 -7.979 7.013 92 HZ1 LYS 14 HZ1 LYS 14 28.582 -6.719 8.462 93 HZ2 LYS 14 HZ2 LYS 14 27.540 -5.387 8.412 94 HZ3 LYS 14 HZ3 LYS 14 28.379 -5.855 7.020 95 H ASN 15 H ASN 15 22.051 -4.865 3.726 96 HA ASN 15 HA ASN 15 19.490 -3.854 4.769 97 HB2 ASN 15 HB2 ASN 15 21.407 -2.321 3.774 98 HB3 ASN 15 HB3 ASN 15 20.688 -2.805 2.240 99 HD21 ASN 15 HD21 ASN 15 19.927 -0.782 1.746 100 HD22 ASN 15 HD22 ASN 15 18.623 -0.034 2.598 101 H ASP 16 H ASP 16 19.755 -6.532 3.880 102 HA ASP 16 HA ASP 16 19.028 -6.979 1.224 103 HB2 ASP 16 HB2 ASP 16 19.647 -8.908 2.361 104 HB3 ASP 16 HB3 ASP 16 18.661 -8.518 3.767 105 H LYS 17 H LYS 17 17.369 -6.076 0.206 106 HA LYS 17 HA LYS 17 14.757 -6.028 1.570 107 HB2 LYS 17 HB2 LYS 17 16.064 -3.928 -0.141 108 HB3 LYS 17 HB3 LYS 17 14.317 -3.990 0.047 109 HG2 LYS 17 HG2 LYS 17 14.667 -3.857 2.522 110 HG3 LYS 17 HG3 LYS 17 16.377 -3.559 2.195 111 HD2 LYS 17 HD2 LYS 17 15.496 -1.417 2.418 112 HD3 LYS 17 HD3 LYS 17 15.522 -1.660 0.669 113 HE2 LYS 17 HE2 LYS 17 13.411 -0.747 1.102 114 HE3 LYS 17 HE3 LYS 17 13.115 -2.476 0.927 115 HZ1 LYS 17 HZ1 LYS 17 12.017 -1.302 2.869 116 HZ2 LYS 17 HZ2 LYS 17 13.553 -1.232 3.573 117 HZ3 LYS 17 HZ3 LYS 17 12.853 -2.731 3.220 118 H CYS 18 H CYS 18 14.751 -8.206 0.451 119 HA CYS 18 HA CYS 18 13.794 -7.888 -2.318 120 HB2 CYS 18 HB2 CYS 18 15.175 -10.285 -1.091 121 HB3 CYS 18 HB3 CYS 18 14.544 -10.201 -2.733 122 H CYS 19 H CYS 19 12.125 -9.402 -2.992 123 HA CYS 19 HA CYS 19 9.902 -9.446 -1.397 124 HB2 CYS 19 HB2 CYS 19 10.756 -10.880 -3.826 125 HB3 CYS 19 HB3 CYS 19 9.478 -11.675 -2.910 126 HA PRO 20 HA PRO 20 10.221 -12.650 1.581 127 HB2 PRO 20 HB2 PRO 20 7.774 -13.824 1.493 128 HB3 PRO 20 HB3 PRO 20 8.043 -12.213 2.170 129 HG2 PRO 20 HG2 PRO 20 7.019 -12.985 -0.535 130 HG3 PRO 20 HG3 PRO 20 6.442 -11.714 0.560 131 HD2 PRO 20 HD2 PRO 20 8.037 -11.192 -1.565 132 HD3 PRO 20 HD3 PRO 20 8.104 -10.246 -0.066 133 H ASN 21 H ASN 21 10.225 -14.971 1.956 134 HA ASN 21 HA ASN 21 10.658 -17.136 1.402 135 HB2 ASN 21 HB2 ASN 21 9.486 -16.693 -1.329 136 HB3 ASN 21 HB3 ASN 21 9.460 -18.148 -0.338 137 HD21 ASN 21 HD21 ASN 21 7.361 -16.397 -1.644 138 HD22 ASN 21 HD22 ASN 21 6.215 -16.110 -0.383 139 H TYR 22 H TYR 22 12.353 -14.753 0.539 140 HA TYR 22 HA TYR 22 14.030 -16.219 -1.392 141 HB2 TYR 22 HB2 TYR 22 13.438 -13.276 -1.180 142 HB3 TYR 22 HB3 TYR 22 14.883 -13.862 -1.994 143 HD1 TYR 22 HD1 TYR 22 11.374 -13.218 -2.295 144 HD2 TYR 22 HD2 TYR 22 14.583 -15.470 -3.948 145 HE1 TYR 22 HE1 TYR 22 10.069 -13.557 -4.351 146 HE2 TYR 22 HE2 TYR 22 13.288 -15.813 -6.010 147 HH TYR 22 HH TYR 22 10.862 -15.831 -6.678 148 H LYS 23 H LYS 23 16.339 -14.941 -1.316 149 HA LYS 23 HA LYS 23 17.160 -14.420 1.417 150 HB2 LYS 23 HB2 LYS 23 17.238 -16.988 0.810 151 HB3 LYS 23 HB3 LYS 23 18.721 -16.530 -0.017 152 HG2 LYS 23 HG2 LYS 23 18.350 -15.645 2.794 153 HG3 LYS 23 HG3 LYS 23 18.729 -17.341 2.485 154 HD2 LYS 23 HD2 LYS 23 20.574 -16.251 0.920 155 HD3 LYS 23 HD3 LYS 23 20.379 -14.906 2.047 156 HE2 LYS 23 HE2 LYS 23 20.674 -16.640 3.895 157 HE3 LYS 23 HE3 LYS 23 21.234 -17.729 2.628 158 HZ1 LYS 23 HZ1 LYS 23 22.477 -15.111 2.661 159 HZ2 LYS 23 HZ2 LYS 23 23.170 -16.636 2.426 160 HZ3 LYS 23 HZ3 LYS 23 22.833 -16.093 3.992 161 H CYS 24 H CYS 24 19.019 -13.212 1.560 162 HA CYS 24 HA CYS 24 20.178 -12.358 -1.010 163 HB2 CYS 24 HB2 CYS 24 18.914 -10.677 0.477 164 HB3 CYS 24 HB3 CYS 24 20.309 -10.773 1.547 165 H SER 25 H SER 25 21.904 -13.702 -1.231 166 HA SER 25 HA SER 25 23.675 -14.228 0.997 167 HB2 SER 25 HB2 SER 25 23.105 -15.461 -1.522 168 HB3 SER 25 HB3 SER 25 24.831 -15.110 -1.445 169 HG SER 25 HG SER 25 24.857 -16.901 -0.329 170 H SER 26 H SER 26 25.570 -13.259 1.413 171 HA SER 26 HA SER 26 26.214 -10.811 0.128 172 HB2 SER 26 HB2 SER 26 28.359 -11.066 1.566 173 HB3 SER 26 HB3 SER 26 26.812 -10.888 2.392 174 HG SER 26 HG SER 26 27.194 -12.740 3.282 175 H LYS 27 H LYS 27 27.127 -14.087 -0.406 176 HA LYS 27 HA LYS 27 29.625 -13.887 -1.562 177 HB2 LYS 27 HB2 LYS 27 28.414 -16.010 -1.143 178 HB3 LYS 27 HB3 LYS 27 27.354 -15.651 -2.500 179 HG2 LYS 27 HG2 LYS 27 28.966 -17.181 -3.288 180 HG3 LYS 27 HG3 LYS 27 29.410 -15.606 -3.951 181 HD2 LYS 27 HD2 LYS 27 31.430 -16.539 -3.197 182 HD3 LYS 27 HD3 LYS 27 30.967 -15.385 -1.944 183 HE2 LYS 27 HE2 LYS 27 30.283 -17.081 -0.480 184 HE3 LYS 27 HE3 LYS 27 30.208 -18.283 -1.768 185 HZ1 LYS 27 HZ1 LYS 27 32.750 -17.014 -0.940 186 HZ2 LYS 27 HZ2 LYS 27 32.534 -18.416 -1.860 187 HZ3 LYS 27 HZ3 LYS 27 32.166 -18.424 -0.209 188 H ASP 28 H ASP 28 26.538 -13.866 -3.355 189 HA ASP 28 HA ASP 28 27.900 -12.549 -5.586 190 HB2 ASP 28 HB2 ASP 28 25.543 -14.293 -5.308 191 HB3 ASP 28 HB3 ASP 28 25.350 -12.975 -6.460 192 H LEU 29 H LEU 29 25.900 -11.832 -2.949 193 HA LEU 29 HA LEU 29 24.888 -9.923 -2.237 194 HB2 LEU 29 HB2 LEU 29 26.162 -8.553 -4.592 195 HB3 LEU 29 HB3 LEU 29 25.635 -7.828 -3.073 196 HG LEU 29 HG LEU 29 27.830 -9.867 -3.100 197 HD11 LEU 29 HD11 LEU 29 29.085 -8.537 -4.369 198 HD12 LEU 29 HD12 LEU 29 29.086 -7.412 -3.010 199 HD13 LEU 29 HD13 LEU 29 27.905 -7.228 -4.306 200 HD21 LEU 29 HD21 LEU 29 27.002 -7.603 -1.299 201 HD22 LEU 29 HD22 LEU 29 28.544 -8.444 -1.144 202 HD23 LEU 29 HD23 LEU 29 27.031 -9.328 -0.937 203 H TRP 30 H TRP 30 23.388 -11.627 -3.826 204 HA TRP 30 HA TRP 30 21.552 -9.711 -5.074 205 HB2 TRP 30 HB2 TRP 30 21.120 -11.292 -6.924 206 HB3 TRP 30 HB3 TRP 30 22.787 -10.722 -6.914 207 HD1 TRP 30 HD1 TRP 30 22.471 -13.252 -4.279 208 HE1 TRP 30 HE1 TRP 30 23.347 -15.534 -5.084 209 HE3 TRP 30 HE3 TRP 30 22.734 -12.298 -9.295 210 HZ2 TRP 30 HZ2 TRP 30 24.056 -16.768 -7.523 211 HZ3 TRP 30 HZ3 TRP 30 23.522 -14.082 -10.795 212 HH2 TRP 30 HH2 TRP 30 24.169 -16.270 -9.925 213 H CYS 31 H CYS 31 19.518 -11.279 -5.813 214 HA CYS 31 HA CYS 31 18.637 -12.430 -3.265 215 HB2 CYS 31 HB2 CYS 31 16.910 -11.769 -5.649 216 HB3 CYS 31 HB3 CYS 31 16.396 -12.047 -3.989 217 H LYS 32 H LYS 32 17.904 -14.502 -3.076 218 HA LYS 32 HA LYS 32 17.874 -16.181 -5.483 219 HB2 LYS 32 HB2 LYS 32 19.281 -16.885 -2.901 220 HB3 LYS 32 HB3 LYS 32 19.087 -17.958 -4.282 221 HG2 LYS 32 HG2 LYS 32 20.271 -15.934 -5.528 222 HG3 LYS 32 HG3 LYS 32 20.906 -15.652 -3.905 223 HD2 LYS 32 HD2 LYS 32 20.990 -18.424 -4.980 224 HD3 LYS 32 HD3 LYS 32 22.135 -17.246 -5.626 225 HE2 LYS 32 HE2 LYS 32 23.296 -18.187 -3.849 226 HE3 LYS 32 HE3 LYS 32 22.632 -16.711 -3.151 227 HZ1 LYS 32 HZ1 LYS 32 22.346 -19.229 -2.151 228 HZ2 LYS 32 HZ2 LYS 32 20.854 -18.934 -2.889 229 HZ3 LYS 32 HZ3 LYS 32 21.436 -17.875 -1.704 230 H TYR 33 H TYR 33 16.486 -17.954 -5.406 231 HA TYR 33 HA TYR 33 14.282 -17.672 -3.578 232 HB2 TYR 33 HB2 TYR 33 13.190 -19.359 -4.905 233 HB3 TYR 33 HB3 TYR 33 14.002 -18.242 -5.997 234 HD1 TYR 33 HD1 TYR 33 16.077 -18.937 -7.158 235 HD2 TYR 33 HD2 TYR 33 13.819 -21.661 -4.793 236 HE1 TYR 33 HE1 TYR 33 17.244 -20.822 -8.224 237 HE2 TYR 33 HE2 TYR 33 14.981 -23.552 -5.851 238 HH TYR 33 HH TYR 33 16.535 -24.181 -7.302 239 H LYS 34 H LYS 34 13.862 -18.829 -1.802 240 HA LYS 34 HA LYS 34 15.263 -21.356 -1.353 241 HB2 LYS 34 HB2 LYS 34 15.380 -18.948 0.454 242 HB3 LYS 34 HB3 LYS 34 15.683 -20.575 1.048 243 HG2 LYS 34 HG2 LYS 34 17.211 -19.297 -1.206 244 HG3 LYS 34 HG3 LYS 34 17.730 -19.282 0.481 245 HD2 LYS 34 HD2 LYS 34 17.385 -21.876 0.282 246 HD3 LYS 34 HD3 LYS 34 17.578 -21.557 -1.444 247 HE2 LYS 34 HE2 LYS 34 19.719 -22.123 -0.481 248 HE3 LYS 34 HE3 LYS 34 19.718 -20.427 -0.964 249 HZ1 LYS 34 HZ1 LYS 34 18.956 -21.056 1.787 250 HZ2 LYS 34 HZ2 LYS 34 19.795 -19.720 1.178 251 HZ3 LYS 34 HZ3 LYS 34 20.592 -21.198 1.380 252 H ILE 35 H ILE 35 13.886 -22.856 -0.672 253 HA ILE 35 HA ILE 35 11.560 -22.036 0.925 254 HB ILE 35 HB ILE 35 10.234 -23.805 -0.329 255 HG12 ILE 35 HG12 ILE 35 11.859 -23.386 -2.738 256 HG13 ILE 35 HG13 ILE 35 12.651 -24.361 -1.506 257 HG21 ILE 35 HG21 ILE 35 11.056 -21.438 -1.995 258 HG22 ILE 35 HG22 ILE 35 9.496 -22.259 -1.974 259 HG23 ILE 35 HG23 ILE 35 10.014 -21.314 -0.579 260 HD11 ILE 35 HD11 ILE 35 9.860 -24.964 -2.394 261 HD12 ILE 35 HD12 ILE 35 11.262 -25.549 -3.292 262 HD13 ILE 35 HD13 ILE 35 11.032 -26.023 -1.610 263 H TRP 36 H TRP 36 12.089 -22.928 2.836 264 HA TRP 36 HA TRP 36 13.533 -25.316 3.186 265 HB2 TRP 36 HB2 TRP 36 12.958 -23.356 4.852 266 HB3 TRP 36 HB3 TRP 36 11.588 -24.383 5.261 267 HD1 TRP 36 HD1 TRP 36 15.424 -24.315 5.425 268 HE1 TRP 36 HE1 TRP 36 16.196 -26.051 7.162 269 HE3 TRP 36 HE3 TRP 36 10.919 -26.512 6.432 270 HZ2 TRP 36 HZ2 TRP 36 15.046 -28.083 8.749 271 HZ3 TRP 36 HZ3 TRP 36 10.841 -28.345 8.072 272 HH2 TRP 36 HH2 TRP 36 12.863 -29.113 9.205 Start of MODEL 5 1 H SER 1 H SER 1 0.696 0.193 -0.446 2 HA SER 1 HA SER 1 1.750 -0.046 -3.180 3 HB2 SER 1 HB2 SER 1 2.722 1.896 -1.087 4 HB3 SER 1 HB3 SER 1 2.934 1.977 -2.835 5 HG SER 1 HG SER 1 1.241 3.352 -1.824 6 H GLU 2 H GLU 2 2.874 -1.939 -3.149 7 HA GLU 2 HA GLU 2 5.058 -2.141 -1.182 8 HB2 GLU 2 HB2 GLU 2 3.219 -3.879 -1.009 9 HB3 GLU 2 HB3 GLU 2 3.747 -4.472 -2.577 10 HG2 GLU 2 HG2 GLU 2 5.990 -4.877 -1.628 11 HG3 GLU 2 HG3 GLU 2 5.380 -4.378 -0.051 12 H ASP 3 H ASP 3 7.084 -2.377 -1.934 13 HA ASP 3 HA ASP 3 7.479 -3.059 -4.758 14 HB2 ASP 3 HB2 ASP 3 7.775 -0.452 -3.691 15 HB3 ASP 3 HB3 ASP 3 9.397 -1.067 -3.998 16 H CYS 4 H CYS 4 8.512 -4.953 -4.520 17 HA CYS 4 HA CYS 4 10.863 -5.013 -2.742 18 HB2 CYS 4 HB2 CYS 4 10.506 -7.511 -2.712 19 HB3 CYS 4 HB3 CYS 4 9.259 -6.569 -1.903 20 H LEU 5 H LEU 5 12.440 -6.822 -3.484 21 HA LEU 5 HA LEU 5 13.007 -6.319 -6.312 22 HB2 LEU 5 HB2 LEU 5 14.693 -7.230 -4.000 23 HB3 LEU 5 HB3 LEU 5 15.256 -7.347 -5.667 24 HG LEU 5 HG LEU 5 14.410 -4.749 -4.401 25 HD11 LEU 5 HD11 LEU 5 17.022 -4.461 -4.447 26 HD12 LEU 5 HD12 LEU 5 16.996 -6.217 -4.279 27 HD13 LEU 5 HD13 LEU 5 16.211 -5.203 -3.067 28 HD21 LEU 5 HD21 LEU 5 14.588 -4.045 -6.504 29 HD22 LEU 5 HD22 LEU 5 15.254 -5.589 -7.036 30 HD23 LEU 5 HD23 LEU 5 16.321 -4.348 -6.377 31 H GLY 6 H GLY 6 13.577 -8.007 -7.741 32 HA2 GLY 6 HA2 GLY 6 12.167 -10.486 -7.184 33 HA3 GLY 6 HA3 GLY 6 12.859 -9.999 -8.725 34 H ALA 7 H ALA 7 13.889 -11.950 -9.099 35 HA ALA 7 HA ALA 7 15.812 -12.919 -7.135 36 HB1 ALA 7 HB1 ALA 7 14.422 -14.052 -9.460 37 HB2 ALA 7 HB2 ALA 7 16.090 -14.586 -9.257 38 HB3 ALA 7 HB3 ALA 7 14.926 -14.815 -7.952 39 H PHE 8 H PHE 8 18.016 -13.030 -7.464 40 HA PHE 8 HA PHE 8 20.062 -12.384 -8.214 41 HB2 PHE 8 HB2 PHE 8 18.809 -12.128 -10.949 42 HB3 PHE 8 HB3 PHE 8 20.495 -12.456 -10.562 43 HD1 PHE 8 HD1 PHE 8 18.000 -13.951 -12.096 44 HD2 PHE 8 HD2 PHE 8 20.346 -14.575 -8.600 45 HE1 PHE 8 HE1 PHE 8 17.553 -16.367 -12.232 46 HE2 PHE 8 HE2 PHE 8 19.904 -16.992 -8.731 47 HZ PHE 8 HZ PHE 8 18.506 -17.891 -10.549 48 H SER 9 H SER 9 17.981 -10.399 -7.422 49 HA SER 9 HA SER 9 18.685 -8.052 -8.995 50 HB2 SER 9 HB2 SER 9 16.843 -8.317 -6.606 51 HB3 SER 9 HB3 SER 9 17.024 -6.882 -7.616 52 HG SER 9 HG SER 9 15.991 -9.413 -8.363 53 H ARG 10 H ARG 10 19.607 -6.164 -8.078 54 HA ARG 10 HA ARG 10 21.821 -6.613 -6.425 55 HB2 ARG 10 HB2 ARG 10 22.187 -4.259 -6.495 56 HB3 ARG 10 HB3 ARG 10 21.517 -4.719 -8.054 57 HG2 ARG 10 HG2 ARG 10 19.247 -4.056 -6.985 58 HG3 ARG 10 HG3 ARG 10 20.256 -3.172 -5.838 59 HD2 ARG 10 HD2 ARG 10 21.404 -2.232 -7.969 60 HD3 ARG 10 HD3 ARG 10 19.934 -2.767 -8.785 61 HE ARG 10 HE ARG 10 19.008 -1.320 -6.686 62 HH11 ARG 10 HH11 ARG 10 21.288 -0.682 -9.238 63 HH12 ARG 10 HH12 ARG 10 20.959 1.017 -9.286 64 HH21 ARG 10 HH21 ARG 10 18.565 0.917 -6.739 65 HH22 ARG 10 HH22 ARG 10 19.410 1.926 -7.863 66 H CYS 11 H CYS 11 22.139 -6.544 -4.278 67 HA CYS 11 HA CYS 11 20.554 -5.108 -2.442 68 HB2 CYS 11 HB2 CYS 11 19.293 -6.827 -1.372 69 HB3 CYS 11 HB3 CYS 11 18.946 -6.944 -3.094 70 H SER 12 H SER 12 21.261 -5.370 -0.251 71 HA SER 12 HA SER 12 23.918 -6.624 -0.080 72 HB2 SER 12 HB2 SER 12 22.737 -4.156 1.113 73 HB3 SER 12 HB3 SER 12 23.968 -5.016 2.037 74 HG SER 12 HG SER 12 25.291 -3.932 0.812 75 HA PRO 13 HA PRO 13 22.647 -9.432 3.040 76 HB2 PRO 13 HB2 PRO 13 24.778 -9.436 4.723 77 HB3 PRO 13 HB3 PRO 13 24.819 -10.177 3.119 78 HG2 PRO 13 HG2 PRO 13 25.843 -7.504 3.997 79 HG3 PRO 13 HG3 PRO 13 26.603 -8.697 2.928 80 HD2 PRO 13 HD2 PRO 13 25.318 -6.507 1.988 81 HD3 PRO 13 HD3 PRO 13 25.350 -8.047 1.105 82 H LYS 14 H LYS 14 23.829 -6.306 4.165 83 HA LYS 14 HA LYS 14 22.554 -6.597 6.751 84 HB2 LYS 14 HB2 LYS 14 23.436 -4.363 7.207 85 HB3 LYS 14 HB3 LYS 14 24.696 -5.416 6.579 86 HG2 LYS 14 HG2 LYS 14 23.936 -4.336 4.283 87 HG3 LYS 14 HG3 LYS 14 23.428 -3.033 5.359 88 HD2 LYS 14 HD2 LYS 14 25.844 -3.405 6.367 89 HD3 LYS 14 HD3 LYS 14 26.159 -4.052 4.754 90 HE2 LYS 14 HE2 LYS 14 25.832 -2.023 3.730 91 HE3 LYS 14 HE3 LYS 14 24.758 -1.435 4.998 92 HZ1 LYS 14 HZ1 LYS 14 26.684 -0.227 5.325 93 HZ2 LYS 14 HZ2 LYS 14 27.704 -1.528 4.969 94 HZ3 LYS 14 HZ3 LYS 14 26.867 -1.488 6.438 95 H ASN 15 H ASN 15 22.028 -4.867 3.730 96 HA ASN 15 HA ASN 15 19.461 -3.887 4.790 97 HB2 ASN 15 HB2 ASN 15 21.338 -2.795 2.713 98 HB3 ASN 15 HB3 ASN 15 19.636 -2.344 2.701 99 HD21 ASN 15 HD21 ASN 15 20.028 -0.210 3.181 100 HD22 ASN 15 HD22 ASN 15 20.577 0.315 4.732 101 H ASP 16 H ASP 16 19.691 -6.544 3.941 102 HA ASP 16 HA ASP 16 19.000 -7.012 1.270 103 HB2 ASP 16 HB2 ASP 16 19.624 -8.931 2.423 104 HB3 ASP 16 HB3 ASP 16 18.624 -8.540 3.820 105 H LYS 17 H LYS 17 17.368 -6.000 0.287 106 HA LYS 17 HA LYS 17 14.739 -6.008 1.618 107 HB2 LYS 17 HB2 LYS 17 16.174 -3.861 0.142 108 HB3 LYS 17 HB3 LYS 17 14.434 -3.974 -0.093 109 HG2 LYS 17 HG2 LYS 17 14.355 -2.627 1.693 110 HG3 LYS 17 HG3 LYS 17 14.578 -4.124 2.600 111 HD2 LYS 17 HD2 LYS 17 16.799 -3.688 3.034 112 HD3 LYS 17 HD3 LYS 17 16.977 -2.637 1.626 113 HE2 LYS 17 HE2 LYS 17 17.047 -1.316 3.651 114 HE3 LYS 17 HE3 LYS 17 15.581 -0.944 2.746 115 HZ1 LYS 17 HZ1 LYS 17 15.718 -1.652 5.380 116 HZ2 LYS 17 HZ2 LYS 17 15.178 -3.062 4.618 117 HZ3 LYS 17 HZ3 LYS 17 14.319 -1.618 4.427 118 H CYS 18 H CYS 18 14.742 -8.177 0.480 119 HA CYS 18 HA CYS 18 13.801 -7.834 -2.293 120 HB2 CYS 18 HB2 CYS 18 15.176 -10.240 -1.080 121 HB3 CYS 18 HB3 CYS 18 14.558 -10.142 -2.725 122 H CYS 19 H CYS 19 12.140 -9.344 -2.992 123 HA CYS 19 HA CYS 19 9.906 -9.404 -1.412 124 HB2 CYS 19 HB2 CYS 19 10.780 -10.830 -3.842 125 HB3 CYS 19 HB3 CYS 19 9.485 -11.616 -2.943 126 HA PRO 20 HA PRO 20 10.209 -12.631 1.544 127 HB2 PRO 20 HB2 PRO 20 7.764 -13.807 1.430 128 HB3 PRO 20 HB3 PRO 20 8.027 -12.200 2.121 129 HG2 PRO 20 HG2 PRO 20 7.022 -12.952 -0.596 130 HG3 PRO 20 HG3 PRO 20 6.436 -11.691 0.504 131 HD2 PRO 20 HD2 PRO 20 8.044 -11.151 -1.607 132 HD3 PRO 20 HD3 PRO 20 8.101 -10.216 -0.099 133 H ASN 21 H ASN 21 10.208 -14.956 1.901 134 HA ASN 21 HA ASN 21 10.647 -17.116 1.334 135 HB2 ASN 21 HB2 ASN 21 9.498 -16.652 -1.404 136 HB3 ASN 21 HB3 ASN 21 9.462 -18.114 -0.422 137 HD21 ASN 21 HD21 ASN 21 8.201 -17.950 1.619 138 HD22 ASN 21 HD22 ASN 21 6.724 -17.053 1.572 139 H TYR 22 H TYR 22 12.344 -14.720 0.496 140 HA TYR 22 HA TYR 22 14.041 -16.175 -1.424 141 HB2 TYR 22 HB2 TYR 22 13.443 -13.233 -1.211 142 HB3 TYR 22 HB3 TYR 22 14.889 -13.820 -2.024 143 HD1 TYR 22 HD1 TYR 22 11.386 -13.162 -2.335 144 HD2 TYR 22 HD2 TYR 22 14.587 -15.434 -3.977 145 HE1 TYR 22 HE1 TYR 22 10.083 -13.498 -4.394 146 HE2 TYR 22 HE2 TYR 22 13.293 -15.776 -6.040 147 HH TYR 22 HH TYR 22 11.483 -15.028 -7.224 148 H LYS 23 H LYS 23 16.345 -14.886 -1.328 149 HA LYS 23 HA LYS 23 17.142 -14.353 1.407 150 HB2 LYS 23 HB2 LYS 23 17.242 -16.830 1.205 151 HB3 LYS 23 HB3 LYS 23 18.382 -16.648 -0.122 152 HG2 LYS 23 HG2 LYS 23 19.690 -17.116 1.762 153 HG3 LYS 23 HG3 LYS 23 19.853 -15.376 1.508 154 HD2 LYS 23 HD2 LYS 23 18.532 -14.857 3.342 155 HD3 LYS 23 HD3 LYS 23 17.742 -16.436 3.346 156 HE2 LYS 23 HE2 LYS 23 19.704 -17.491 4.210 157 HE3 LYS 23 HE3 LYS 23 20.656 -16.025 3.990 158 HZ1 LYS 23 HZ1 LYS 23 19.253 -16.793 6.247 159 HZ2 LYS 23 HZ2 LYS 23 18.401 -15.482 5.603 160 HZ3 LYS 23 HZ3 LYS 23 20.042 -15.320 5.982 161 H CYS 24 H CYS 24 19.028 -13.173 1.560 162 HA CYS 24 HA CYS 24 20.189 -12.319 -1.007 163 HB2 CYS 24 HB2 CYS 24 18.955 -10.641 0.520 164 HB3 CYS 24 HB3 CYS 24 20.376 -10.753 1.554 165 H SER 25 H SER 25 21.906 -13.662 -1.261 166 HA SER 25 HA SER 25 23.678 -14.244 0.953 167 HB2 SER 25 HB2 SER 25 23.078 -15.442 -1.574 168 HB3 SER 25 HB3 SER 25 24.809 -15.108 -1.509 169 HG SER 25 HG SER 25 23.453 -16.362 0.628 170 H SER 26 H SER 26 25.578 -13.294 1.377 171 HA SER 26 HA SER 26 26.248 -10.843 0.110 172 HB2 SER 26 HB2 SER 26 28.169 -10.808 1.623 173 HB3 SER 26 HB3 SER 26 26.721 -11.304 2.496 174 HG SER 26 HG SER 26 29.026 -12.697 1.979 175 H LYS 27 H LYS 27 27.130 -14.125 -0.444 176 HA LYS 27 HA LYS 27 29.628 -13.942 -1.601 177 HB2 LYS 27 HB2 LYS 27 27.275 -15.730 -2.074 178 HB3 LYS 27 HB3 LYS 27 28.670 -15.845 -3.140 179 HG2 LYS 27 HG2 LYS 27 30.097 -16.468 -1.360 180 HG3 LYS 27 HG3 LYS 27 28.886 -16.042 -0.149 181 HD2 LYS 27 HD2 LYS 27 28.786 -18.378 -0.269 182 HD3 LYS 27 HD3 LYS 27 27.425 -17.836 -1.255 183 HE2 LYS 27 HE2 LYS 27 28.662 -18.215 -3.274 184 HE3 LYS 27 HE3 LYS 27 30.135 -18.551 -2.366 185 HZ1 LYS 27 HZ1 LYS 27 27.718 -20.220 -2.643 186 HZ2 LYS 27 HZ2 LYS 27 28.764 -20.432 -1.331 187 HZ3 LYS 27 HZ3 LYS 27 29.335 -20.640 -2.910 188 H ASP 28 H ASP 28 26.541 -13.881 -3.392 189 HA ASP 28 HA ASP 28 27.914 -12.559 -5.615 190 HB2 ASP 28 HB2 ASP 28 25.538 -14.285 -5.349 191 HB3 ASP 28 HB3 ASP 28 25.369 -12.963 -6.501 192 H LEU 29 H LEU 29 25.929 -11.843 -2.969 193 HA LEU 29 HA LEU 29 24.932 -9.932 -2.246 194 HB2 LEU 29 HB2 LEU 29 26.196 -8.557 -4.603 195 HB3 LEU 29 HB3 LEU 29 25.688 -7.837 -3.077 196 HG LEU 29 HG LEU 29 27.875 -9.885 -3.147 197 HD11 LEU 29 HD11 LEU 29 27.968 -7.089 -4.104 198 HD12 LEU 29 HD12 LEU 29 28.946 -8.482 -4.564 199 HD13 LEU 29 HD13 LEU 29 29.286 -7.625 -3.061 200 HD21 LEU 29 HD21 LEU 29 27.024 -7.679 -1.294 201 HD22 LEU 29 HD22 LEU 29 28.604 -8.455 -1.179 202 HD23 LEU 29 HD23 LEU 29 27.134 -9.408 -0.965 203 H TRP 30 H TRP 30 23.416 -11.623 -3.836 204 HA TRP 30 HA TRP 30 21.581 -9.692 -5.064 205 HB2 TRP 30 HB2 TRP 30 21.132 -11.263 -6.918 206 HB3 TRP 30 HB3 TRP 30 22.801 -10.701 -6.915 207 HD1 TRP 30 HD1 TRP 30 22.490 -13.241 -4.291 208 HE1 TRP 30 HE1 TRP 30 23.350 -15.524 -5.111 209 HE3 TRP 30 HE3 TRP 30 22.724 -12.266 -9.303 210 HZ2 TRP 30 HZ2 TRP 30 24.038 -16.749 -7.559 211 HZ3 TRP 30 HZ3 TRP 30 23.493 -14.047 -10.816 212 HH2 TRP 30 HH2 TRP 30 24.137 -16.241 -9.960 213 H CYS 31 H CYS 31 19.536 -11.249 -5.798 214 HA CYS 31 HA CYS 31 18.667 -12.411 -3.249 215 HB2 CYS 31 HB2 CYS 31 16.930 -11.716 -5.618 216 HB3 CYS 31 HB3 CYS 31 16.421 -12.015 -3.960 217 H LYS 32 H LYS 32 17.916 -14.479 -3.073 218 HA LYS 32 HA LYS 32 17.861 -16.141 -5.492 219 HB2 LYS 32 HB2 LYS 32 19.293 -16.860 -2.927 220 HB3 LYS 32 HB3 LYS 32 19.067 -17.936 -4.299 221 HG2 LYS 32 HG2 LYS 32 20.271 -15.461 -5.139 222 HG3 LYS 32 HG3 LYS 32 21.199 -16.205 -3.835 223 HD2 LYS 32 HD2 LYS 32 20.308 -17.643 -6.332 224 HD3 LYS 32 HD3 LYS 32 21.904 -16.923 -6.112 225 HE2 LYS 32 HE2 LYS 32 22.610 -18.599 -4.797 226 HE3 LYS 32 HE3 LYS 32 21.075 -18.698 -3.936 227 HZ1 LYS 32 HZ1 LYS 32 20.529 -19.629 -6.451 228 HZ2 LYS 32 HZ2 LYS 32 20.729 -20.566 -5.057 229 HZ3 LYS 32 HZ3 LYS 32 22.042 -20.295 -6.090 230 H TYR 33 H TYR 33 16.519 -17.974 -5.372 231 HA TYR 33 HA TYR 33 14.301 -17.669 -3.557 232 HB2 TYR 33 HB2 TYR 33 13.228 -19.400 -4.860 233 HB3 TYR 33 HB3 TYR 33 13.998 -18.259 -5.957 234 HD1 TYR 33 HD1 TYR 33 16.011 -18.900 -7.208 235 HD2 TYR 33 HD2 TYR 33 13.987 -21.679 -4.700 236 HE1 TYR 33 HE1 TYR 33 17.216 -20.749 -8.294 237 HE2 TYR 33 HE2 TYR 33 15.187 -23.535 -5.779 238 HH TYR 33 HH TYR 33 16.443 -24.102 -7.604 239 H LYS 34 H LYS 34 13.914 -18.785 -1.752 240 HA LYS 34 HA LYS 34 15.403 -21.268 -1.262 241 HB2 LYS 34 HB2 LYS 34 15.355 -18.798 0.425 242 HB3 LYS 34 HB3 LYS 34 15.471 -20.366 1.211 243 HG2 LYS 34 HG2 LYS 34 17.355 -19.455 -0.948 244 HG3 LYS 34 HG3 LYS 34 17.652 -19.217 0.775 245 HD2 LYS 34 HD2 LYS 34 17.719 -21.562 1.170 246 HD3 LYS 34 HD3 LYS 34 17.110 -21.916 -0.448 247 HE2 LYS 34 HE2 LYS 34 19.708 -20.475 0.015 248 HE3 LYS 34 HE3 LYS 34 19.607 -22.235 -0.044 249 HZ1 LYS 34 HZ1 LYS 34 19.290 -22.228 -2.255 250 HZ2 LYS 34 HZ2 LYS 34 20.029 -20.708 -2.181 251 HZ3 LYS 34 HZ3 LYS 34 18.342 -20.825 -2.244 252 H ILE 35 H ILE 35 14.302 -22.827 -0.144 253 HA ILE 35 HA ILE 35 11.686 -22.154 0.984 254 HB ILE 35 HB ILE 35 10.761 -24.261 -0.092 255 HG12 ILE 35 HG12 ILE 35 13.163 -23.846 -1.886 256 HG13 ILE 35 HG13 ILE 35 12.903 -25.217 -0.814 257 HG21 ILE 35 HG21 ILE 35 9.767 -22.965 -1.637 258 HG22 ILE 35 HG22 ILE 35 10.676 -21.671 -0.860 259 HG23 ILE 35 HG23 ILE 35 11.300 -22.428 -2.325 260 HD11 ILE 35 HD11 ILE 35 11.868 -26.268 -2.455 261 HD12 ILE 35 HD12 ILE 35 10.632 -25.010 -2.474 262 HD13 ILE 35 HD13 ILE 35 12.058 -24.862 -3.501 263 H TRP 36 H TRP 36 11.457 -23.027 2.928 264 HA TRP 36 HA TRP 36 13.340 -25.053 3.817 265 HB2 TRP 36 HB2 TRP 36 11.434 -23.186 5.156 266 HB3 TRP 36 HB3 TRP 36 11.917 -24.645 6.016 267 HD1 TRP 36 HD1 TRP 36 13.506 -21.498 4.427 268 HE1 TRP 36 HE1 TRP 36 15.708 -21.005 5.665 269 HE3 TRP 36 HE3 TRP 36 13.653 -25.592 7.485 270 HZ2 TRP 36 HZ2 TRP 36 17.299 -22.195 7.670 271 HZ3 TRP 36 HZ3 TRP 36 15.550 -25.840 9.034 272 HH2 TRP 36 HH2 TRP 36 17.333 -24.175 9.122 Start of MODEL 6 1 H SER 1 H SER 1 -0.367 -2.480 -2.876 2 HA SER 1 HA SER 1 1.515 -0.852 -4.443 3 HB2 SER 1 HB2 SER 1 -0.198 0.175 -2.769 4 HB3 SER 1 HB3 SER 1 0.924 -0.391 -1.533 5 HG SER 1 HG SER 1 1.099 1.842 -2.767 6 H GLU 2 H GLU 2 2.533 -3.192 -4.457 7 HA GLU 2 HA GLU 2 4.245 -3.527 -2.094 8 HB2 GLU 2 HB2 GLU 2 2.795 -5.418 -3.250 9 HB3 GLU 2 HB3 GLU 2 4.188 -5.518 -4.317 10 HG2 GLU 2 HG2 GLU 2 4.594 -7.114 -2.675 11 HG3 GLU 2 HG3 GLU 2 5.585 -5.736 -2.199 12 H ASP 3 H ASP 3 6.369 -3.140 -2.178 13 HA ASP 3 HA ASP 3 7.630 -2.804 -4.815 14 HB2 ASP 3 HB2 ASP 3 7.846 -0.978 -2.419 15 HB3 ASP 3 HB3 ASP 3 8.982 -0.935 -3.765 16 H CYS 4 H CYS 4 8.708 -4.741 -4.768 17 HA CYS 4 HA CYS 4 10.849 -4.942 -2.766 18 HB2 CYS 4 HB2 CYS 4 10.522 -7.363 -2.612 19 HB3 CYS 4 HB3 CYS 4 9.067 -6.504 -2.116 20 H LEU 5 H LEU 5 12.512 -6.633 -3.487 21 HA LEU 5 HA LEU 5 13.161 -6.067 -6.275 22 HB2 LEU 5 HB2 LEU 5 14.747 -7.144 -3.961 23 HB3 LEU 5 HB3 LEU 5 15.371 -7.136 -5.610 24 HG LEU 5 HG LEU 5 14.527 -4.662 -4.104 25 HD11 LEU 5 HD11 LEU 5 16.387 -5.134 -2.909 26 HD12 LEU 5 HD12 LEU 5 17.180 -4.419 -4.312 27 HD13 LEU 5 HD13 LEU 5 17.068 -6.172 -4.162 28 HD21 LEU 5 HD21 LEU 5 14.570 -3.790 -6.158 29 HD22 LEU 5 HD22 LEU 5 15.335 -5.223 -6.845 30 HD23 LEU 5 HD23 LEU 5 16.321 -3.981 -6.074 31 H GLY 6 H GLY 6 13.802 -7.704 -7.749 32 HA2 GLY 6 HA2 GLY 6 12.340 -10.193 -7.352 33 HA3 GLY 6 HA3 GLY 6 13.051 -9.630 -8.856 34 H ALA 7 H ALA 7 13.643 -12.013 -8.816 35 HA ALA 7 HA ALA 7 15.707 -12.879 -7.049 36 HB1 ALA 7 HB1 ALA 7 14.607 -13.980 -9.620 37 HB2 ALA 7 HB2 ALA 7 15.939 -14.747 -8.754 38 HB3 ALA 7 HB3 ALA 7 14.364 -14.575 -7.978 39 H PHE 8 H PHE 8 17.897 -12.993 -7.349 40 HA PHE 8 HA PHE 8 19.960 -12.440 -8.130 41 HB2 PHE 8 HB2 PHE 8 18.715 -12.190 -10.867 42 HB3 PHE 8 HB3 PHE 8 20.386 -12.578 -10.472 43 HD1 PHE 8 HD1 PHE 8 17.055 -13.864 -10.976 44 HD2 PHE 8 HD2 PHE 8 20.933 -14.792 -9.487 45 HE1 PHE 8 HE1 PHE 8 16.514 -16.263 -11.073 46 HE2 PHE 8 HE2 PHE 8 20.399 -17.192 -9.581 47 HZ PHE 8 HZ PHE 8 18.188 -17.930 -10.376 48 H SER 9 H SER 9 17.886 -10.387 -7.414 49 HA SER 9 HA SER 9 18.667 -8.089 -9.015 50 HB2 SER 9 HB2 SER 9 16.300 -8.521 -8.123 51 HB3 SER 9 HB3 SER 9 16.928 -8.025 -6.553 52 HG SER 9 HG SER 9 17.666 -6.075 -7.747 53 H ARG 10 H ARG 10 19.616 -6.194 -8.118 54 HA ARG 10 HA ARG 10 21.833 -6.662 -6.477 55 HB2 ARG 10 HB2 ARG 10 22.234 -4.314 -6.571 56 HB3 ARG 10 HB3 ARG 10 21.545 -4.776 -8.121 57 HG2 ARG 10 HG2 ARG 10 19.293 -4.073 -7.028 58 HG3 ARG 10 HG3 ARG 10 20.331 -3.185 -5.911 59 HD2 ARG 10 HD2 ARG 10 21.447 -2.213 -7.986 60 HD3 ARG 10 HD3 ARG 10 20.078 -2.863 -8.888 61 HE ARG 10 HE ARG 10 19.055 -1.372 -6.773 62 HH11 ARG 10 HH11 ARG 10 20.936 -0.862 -9.658 63 HH12 ARG 10 HH12 ARG 10 20.376 0.760 -9.894 64 HH21 ARG 10 HH21 ARG 10 18.310 0.764 -7.073 65 HH22 ARG 10 HH22 ARG 10 18.884 1.684 -8.422 66 H CYS 11 H CYS 11 22.169 -6.577 -4.334 67 HA CYS 11 HA CYS 11 20.611 -5.105 -2.500 68 HB2 CYS 11 HB2 CYS 11 19.344 -6.801 -1.404 69 HB3 CYS 11 HB3 CYS 11 18.985 -6.937 -3.123 70 H SER 12 H SER 12 21.218 -5.561 -0.237 71 HA SER 12 HA SER 12 23.887 -6.806 -0.087 72 HB2 SER 12 HB2 SER 12 23.218 -4.797 1.963 73 HB3 SER 12 HB3 SER 12 24.706 -5.020 1.043 74 HG SER 12 HG SER 12 22.321 -3.889 -0.002 75 HA PRO 13 HA PRO 13 22.523 -9.446 3.139 76 HB2 PRO 13 HB2 PRO 13 24.668 -9.489 4.802 77 HB3 PRO 13 HB3 PRO 13 24.660 -10.285 3.224 78 HG2 PRO 13 HG2 PRO 13 25.811 -7.633 4.001 79 HG3 PRO 13 HG3 PRO 13 26.505 -8.896 2.966 80 HD2 PRO 13 HD2 PRO 13 25.311 -6.682 1.962 81 HD3 PRO 13 HD3 PRO 13 25.265 -8.252 1.133 82 H LYS 14 H LYS 14 23.851 -6.338 4.142 83 HA LYS 14 HA LYS 14 22.651 -6.476 6.764 84 HB2 LYS 14 HB2 LYS 14 24.830 -5.232 6.015 85 HB3 LYS 14 HB3 LYS 14 23.717 -3.950 5.554 86 HG2 LYS 14 HG2 LYS 14 22.808 -4.147 7.942 87 HG3 LYS 14 HG3 LYS 14 24.287 -5.049 8.279 88 HD2 LYS 14 HD2 LYS 14 25.609 -3.139 7.457 89 HD3 LYS 14 HD3 LYS 14 24.114 -2.238 7.192 90 HE2 LYS 14 HE2 LYS 14 25.143 -1.590 9.296 91 HE3 LYS 14 HE3 LYS 14 23.604 -2.401 9.584 92 HZ1 LYS 14 HZ1 LYS 14 25.843 -3.018 10.866 93 HZ2 LYS 14 HZ2 LYS 14 25.960 -4.101 9.573 94 HZ3 LYS 14 HZ3 LYS 14 24.605 -4.135 10.584 95 H ASN 15 H ASN 15 21.996 -4.905 3.681 96 HA ASN 15 HA ASN 15 19.438 -3.943 4.783 97 HB2 ASN 15 HB2 ASN 15 19.481 -2.221 3.001 98 HB3 ASN 15 HB3 ASN 15 20.851 -2.085 4.098 99 HD21 ASN 15 HD21 ASN 15 22.846 -2.132 3.286 100 HD22 ASN 15 HD22 ASN 15 23.239 -2.465 1.637 101 H ASP 16 H ASP 16 19.645 -6.566 3.940 102 HA ASP 16 HA ASP 16 19.003 -7.034 1.252 103 HB2 ASP 16 HB2 ASP 16 19.620 -8.951 2.418 104 HB3 ASP 16 HB3 ASP 16 18.589 -8.567 3.794 105 H LYS 17 H LYS 17 17.389 -5.994 0.261 106 HA LYS 17 HA LYS 17 14.743 -6.007 1.559 107 HB2 LYS 17 HB2 LYS 17 16.072 -3.912 -0.143 108 HB3 LYS 17 HB3 LYS 17 14.323 -3.971 0.036 109 HG2 LYS 17 HG2 LYS 17 14.431 -3.497 2.329 110 HG3 LYS 17 HG3 LYS 17 16.155 -3.865 2.409 111 HD2 LYS 17 HD2 LYS 17 15.878 -1.481 2.489 112 HD3 LYS 17 HD3 LYS 17 16.576 -1.910 0.925 113 HE2 LYS 17 HE2 LYS 17 14.910 -0.335 0.431 114 HE3 LYS 17 HE3 LYS 17 14.188 -1.895 0.040 115 HZ1 LYS 17 HZ1 LYS 17 12.629 -1.628 1.587 116 HZ2 LYS 17 HZ2 LYS 17 13.085 0.000 1.635 117 HZ3 LYS 17 HZ3 LYS 17 13.728 -1.092 2.755 118 H CYS 18 H CYS 18 14.753 -8.188 0.445 119 HA CYS 18 HA CYS 18 13.836 -7.874 -2.339 120 HB2 CYS 18 HB2 CYS 18 15.203 -10.266 -1.087 121 HB3 CYS 18 HB3 CYS 18 14.592 -10.190 -2.736 122 H CYS 19 H CYS 19 12.182 -9.394 -3.035 123 HA CYS 19 HA CYS 19 9.932 -9.432 -1.478 124 HB2 CYS 19 HB2 CYS 19 10.822 -10.833 -3.899 125 HB3 CYS 19 HB3 CYS 19 9.583 -11.697 -2.994 126 HA PRO 20 HA PRO 20 10.204 -12.615 1.527 127 HB2 PRO 20 HB2 PRO 20 7.760 -13.793 1.406 128 HB3 PRO 20 HB3 PRO 20 8.015 -12.178 2.076 129 HG2 PRO 20 HG2 PRO 20 7.039 -12.968 -0.641 130 HG3 PRO 20 HG3 PRO 20 6.441 -11.691 0.434 131 HD2 PRO 20 HD2 PRO 20 8.071 -11.182 -1.667 132 HD3 PRO 20 HD3 PRO 20 8.114 -10.225 -0.172 133 H ASN 21 H ASN 21 10.195 -14.935 1.918 134 HA ASN 21 HA ASN 21 10.639 -17.105 1.386 135 HB2 ASN 21 HB2 ASN 21 8.461 -16.655 -0.024 136 HB3 ASN 21 HB3 ASN 21 9.572 -16.750 -1.388 137 HD21 ASN 21 HD21 ASN 21 8.017 -18.583 -1.792 138 HD22 ASN 21 HD22 ASN 21 8.462 -20.129 -1.163 139 H TYR 22 H TYR 22 12.341 -14.716 0.524 140 HA TYR 22 HA TYR 22 14.069 -16.208 -1.340 141 HB2 TYR 22 HB2 TYR 22 13.454 -13.264 -1.208 142 HB3 TYR 22 HB3 TYR 22 14.912 -13.865 -1.991 143 HD1 TYR 22 HD1 TYR 22 11.413 -13.222 -2.357 144 HD2 TYR 22 HD2 TYR 22 14.631 -15.538 -3.900 145 HE1 TYR 22 HE1 TYR 22 10.133 -13.615 -4.421 146 HE2 TYR 22 HE2 TYR 22 13.361 -15.937 -5.969 147 HH TYR 22 HH TYR 22 10.902 -14.206 -6.978 148 H LYS 23 H LYS 23 16.365 -14.906 -1.247 149 HA LYS 23 HA LYS 23 17.128 -14.281 1.475 150 HB2 LYS 23 HB2 LYS 23 17.190 -16.859 1.075 151 HB3 LYS 23 HB3 LYS 23 18.645 -16.506 0.153 152 HG2 LYS 23 HG2 LYS 23 19.509 -16.978 2.225 153 HG3 LYS 23 HG3 LYS 23 19.367 -15.221 2.297 154 HD2 LYS 23 HD2 LYS 23 17.027 -15.696 3.302 155 HD3 LYS 23 HD3 LYS 23 17.667 -17.314 3.604 156 HE2 LYS 23 HE2 LYS 23 19.665 -16.033 4.666 157 HE3 LYS 23 HE3 LYS 23 18.531 -14.687 4.746 158 HZ1 LYS 23 HZ1 LYS 23 17.567 -17.244 5.740 159 HZ2 LYS 23 HZ2 LYS 23 17.321 -15.685 6.346 160 HZ3 LYS 23 HZ3 LYS 23 18.771 -16.497 6.664 161 H CYS 24 H CYS 24 19.047 -13.139 1.616 162 HA CYS 24 HA CYS 24 20.236 -12.380 -0.970 163 HB2 CYS 24 HB2 CYS 24 19.004 -10.635 0.482 164 HB3 CYS 24 HB3 CYS 24 20.411 -10.725 1.537 165 H SER 25 H SER 25 22.013 -13.602 -1.217 166 HA SER 25 HA SER 25 23.740 -14.159 1.060 167 HB2 SER 25 HB2 SER 25 23.237 -15.376 -1.537 168 HB3 SER 25 HB3 SER 25 24.963 -15.207 -1.212 169 HG SER 25 HG SER 25 24.794 -16.785 0.149 170 H SER 26 H SER 26 25.694 -13.265 1.411 171 HA SER 26 HA SER 26 26.364 -10.842 0.092 172 HB2 SER 26 HB2 SER 26 28.265 -10.754 1.579 173 HB3 SER 26 HB3 SER 26 26.882 -11.361 2.490 174 HG SER 26 HG SER 26 29.237 -12.508 2.166 175 H LYS 27 H LYS 27 27.144 -14.135 -0.478 176 HA LYS 27 HA LYS 27 29.625 -14.036 -1.677 177 HB2 LYS 27 HB2 LYS 27 27.197 -15.708 -2.295 178 HB3 LYS 27 HB3 LYS 27 28.725 -15.937 -3.136 179 HG2 LYS 27 HG2 LYS 27 29.834 -16.463 -1.055 180 HG3 LYS 27 HG3 LYS 27 28.353 -16.132 -0.153 181 HD2 LYS 27 HD2 LYS 27 27.263 -17.949 -1.541 182 HD3 LYS 27 HD3 LYS 27 28.884 -18.370 -2.098 183 HE2 LYS 27 HE2 LYS 27 29.515 -18.561 0.353 184 HE3 LYS 27 HE3 LYS 27 27.789 -18.479 0.702 185 HZ1 LYS 27 HZ1 LYS 27 29.108 -20.518 -1.008 186 HZ2 LYS 27 HZ2 LYS 27 27.454 -20.440 -0.666 187 HZ3 LYS 27 HZ3 LYS 27 28.559 -20.764 0.573 188 H ASP 28 H ASP 28 26.513 -13.849 -3.416 189 HA ASP 28 HA ASP 28 27.902 -12.515 -5.627 190 HB2 ASP 28 HB2 ASP 28 25.522 -14.251 -5.410 191 HB3 ASP 28 HB3 ASP 28 25.390 -12.929 -6.565 192 H LEU 29 H LEU 29 25.906 -11.857 -2.982 193 HA LEU 29 HA LEU 29 24.881 -9.970 -2.236 194 HB2 LEU 29 HB2 LEU 29 26.145 -8.556 -4.571 195 HB3 LEU 29 HB3 LEU 29 25.605 -7.852 -3.048 196 HG LEU 29 HG LEU 29 27.804 -9.879 -3.056 197 HD11 LEU 29 HD11 LEU 29 28.063 -6.959 -3.742 198 HD12 LEU 29 HD12 LEU 29 28.556 -8.341 -4.718 199 HD13 LEU 29 HD13 LEU 29 29.406 -7.973 -3.217 200 HD21 LEU 29 HD21 LEU 29 28.398 -7.963 -1.231 201 HD22 LEU 29 HD22 LEU 29 27.471 -9.423 -0.881 202 HD23 LEU 29 HD23 LEU 29 26.635 -7.907 -1.220 203 H TRP 30 H TRP 30 23.370 -11.649 -3.822 204 HA TRP 30 HA TRP 30 21.531 -9.725 -5.053 205 HB2 TRP 30 HB2 TRP 30 21.085 -11.309 -6.903 206 HB3 TRP 30 HB3 TRP 30 22.747 -10.728 -6.906 207 HD1 TRP 30 HD1 TRP 30 22.445 -13.274 -4.277 208 HE1 TRP 30 HE1 TRP 30 23.340 -15.545 -5.093 209 HE3 TRP 30 HE3 TRP 30 22.722 -12.286 -9.286 210 HZ2 TRP 30 HZ2 TRP 30 24.067 -16.757 -7.537 211 HZ3 TRP 30 HZ3 TRP 30 23.529 -14.054 -10.794 212 HH2 TRP 30 HH2 TRP 30 24.187 -16.242 -9.935 213 H CYS 31 H CYS 31 19.488 -11.283 -5.783 214 HA CYS 31 HA CYS 31 18.609 -12.423 -3.232 215 HB2 CYS 31 HB2 CYS 31 16.895 -11.802 -5.638 216 HB3 CYS 31 HB3 CYS 31 16.367 -12.072 -3.981 217 H LYS 32 H LYS 32 17.991 -14.509 -2.998 218 HA LYS 32 HA LYS 32 17.969 -16.221 -5.387 219 HB2 LYS 32 HB2 LYS 32 19.381 -16.795 -2.776 220 HB3 LYS 32 HB3 LYS 32 19.135 -17.982 -4.051 221 HG2 LYS 32 HG2 LYS 32 20.347 -15.591 -5.103 222 HG3 LYS 32 HG3 LYS 32 21.285 -16.239 -3.756 223 HD2 LYS 32 HD2 LYS 32 22.138 -17.299 -5.678 224 HD3 LYS 32 HD3 LYS 32 21.094 -18.497 -4.910 225 HE2 LYS 32 HE2 LYS 32 19.302 -17.953 -6.465 226 HE3 LYS 32 HE3 LYS 32 20.305 -16.708 -7.209 227 HZ1 LYS 32 HZ1 LYS 32 20.168 -18.999 -8.318 228 HZ2 LYS 32 HZ2 LYS 32 21.223 -19.508 -7.099 229 HZ3 LYS 32 HZ3 LYS 32 21.690 -18.277 -8.161 230 H TYR 33 H TYR 33 16.488 -17.870 -5.385 231 HA TYR 33 HA TYR 33 14.300 -17.625 -3.552 232 HB2 TYR 33 HB2 TYR 33 13.221 -19.321 -4.899 233 HB3 TYR 33 HB3 TYR 33 14.002 -18.157 -5.962 234 HD1 TYR 33 HD1 TYR 33 16.025 -18.779 -7.212 235 HD2 TYR 33 HD2 TYR 33 13.953 -21.609 -4.802 236 HE1 TYR 33 HE1 TYR 33 17.223 -20.608 -8.339 237 HE2 TYR 33 HE2 TYR 33 15.147 -23.445 -5.922 238 HH TYR 33 HH TYR 33 16.304 -23.676 -8.350 239 H LYS 34 H LYS 34 13.894 -18.762 -1.767 240 HA LYS 34 HA LYS 34 15.364 -21.265 -1.311 241 HB2 LYS 34 HB2 LYS 34 15.337 -18.808 0.362 242 HB3 LYS 34 HB3 LYS 34 15.271 -20.350 1.203 243 HG2 LYS 34 HG2 LYS 34 17.359 -19.774 -0.870 244 HG3 LYS 34 HG3 LYS 34 17.562 -19.309 0.821 245 HD2 LYS 34 HD2 LYS 34 17.014 -21.757 1.357 246 HD3 LYS 34 HD3 LYS 34 17.310 -22.061 -0.356 247 HE2 LYS 34 HE2 LYS 34 19.281 -20.701 1.472 248 HE3 LYS 34 HE3 LYS 34 19.283 -22.435 1.149 249 HZ1 LYS 34 HZ1 LYS 34 20.146 -20.241 -0.531 250 HZ2 LYS 34 HZ2 LYS 34 19.250 -21.433 -1.329 251 HZ3 LYS 34 HZ3 LYS 34 20.664 -21.852 -0.500 252 H ILE 35 H ILE 35 14.243 -22.859 -0.266 253 HA ILE 35 HA ILE 35 11.505 -22.218 0.608 254 HB ILE 35 HB ILE 35 10.866 -24.522 -0.235 255 HG12 ILE 35 HG12 ILE 35 13.454 -24.191 -1.769 256 HG13 ILE 35 HG13 ILE 35 13.141 -25.399 -0.527 257 HG21 ILE 35 HG21 ILE 35 9.939 -23.456 -1.958 258 HG22 ILE 35 HG22 ILE 35 10.885 -22.049 -1.475 259 HG23 ILE 35 HG23 ILE 35 11.506 -23.149 -2.705 260 HD11 ILE 35 HD11 ILE 35 11.090 -25.796 -2.310 261 HD12 ILE 35 HD12 ILE 35 12.462 -25.402 -3.347 262 HD13 ILE 35 HD13 ILE 35 12.577 -26.739 -2.203 263 H TRP 36 H TRP 36 11.050 -22.869 2.604 264 HA TRP 36 HA TRP 36 12.963 -24.543 4.016 265 HB2 TRP 36 HB2 TRP 36 10.483 -23.182 5.088 266 HB3 TRP 36 HB3 TRP 36 11.800 -23.872 6.033 267 HD1 TRP 36 HD1 TRP 36 11.129 -20.936 3.610 268 HE1 TRP 36 HE1 TRP 36 12.795 -19.051 4.158 269 HE3 TRP 36 HE3 TRP 36 13.937 -23.335 7.145 270 HZ2 TRP 36 HZ2 TRP 36 15.007 -18.637 5.861 271 HZ3 TRP 36 HZ3 TRP 36 15.809 -22.125 8.184 272 HH2 TRP 36 HH2 TRP 36 16.333 -19.825 7.554 Start of MODEL 7 1 H SER 1 H SER 1 1.641 1.160 -1.257 2 HA SER 1 HA SER 1 0.894 -1.191 -2.820 3 HB2 SER 1 HB2 SER 1 2.554 1.251 -3.357 4 HB3 SER 1 HB3 SER 1 2.751 -0.182 -4.365 5 HG SER 1 HG SER 1 0.431 -0.068 -4.698 6 H GLU 2 H GLU 2 2.495 -2.709 -3.550 7 HA GLU 2 HA GLU 2 4.532 -3.197 -1.505 8 HB2 GLU 2 HB2 GLU 2 3.244 -4.968 -3.577 9 HB3 GLU 2 HB3 GLU 2 4.649 -5.474 -2.648 10 HG2 GLU 2 HG2 GLU 2 2.918 -6.374 -1.437 11 HG3 GLU 2 HG3 GLU 2 3.208 -4.855 -0.591 12 H ASP 3 H ASP 3 6.647 -3.026 -1.901 13 HA ASP 3 HA ASP 3 7.585 -2.998 -4.679 14 HB2 ASP 3 HB2 ASP 3 7.383 -0.693 -3.047 15 HB3 ASP 3 HB3 ASP 3 9.095 -1.088 -3.159 16 H CYS 4 H CYS 4 8.767 -4.822 -4.644 17 HA CYS 4 HA CYS 4 10.958 -4.959 -2.688 18 HB2 CYS 4 HB2 CYS 4 10.674 -7.438 -2.640 19 HB3 CYS 4 HB3 CYS 4 9.318 -6.561 -1.937 20 H LEU 5 H LEU 5 12.545 -6.794 -3.453 21 HA LEU 5 HA LEU 5 13.181 -6.173 -6.245 22 HB2 LEU 5 HB2 LEU 5 14.809 -7.178 -3.931 23 HB3 LEU 5 HB3 LEU 5 15.409 -7.245 -5.586 24 HG LEU 5 HG LEU 5 14.562 -4.689 -4.237 25 HD11 LEU 5 HD11 LEU 5 16.356 -5.182 -2.919 26 HD12 LEU 5 HD12 LEU 5 17.187 -4.428 -4.279 27 HD13 LEU 5 HD13 LEU 5 17.127 -6.186 -4.146 28 HD21 LEU 5 HD21 LEU 5 15.015 -3.698 -6.175 29 HD22 LEU 5 HD22 LEU 5 15.074 -5.307 -6.897 30 HD23 LEU 5 HD23 LEU 5 16.557 -4.542 -6.324 31 H GLY 6 H GLY 6 13.719 -7.789 -7.744 32 HA2 GLY 6 HA2 GLY 6 12.315 -10.292 -7.301 33 HA3 GLY 6 HA3 GLY 6 13.016 -9.739 -8.815 34 H ALA 7 H ALA 7 13.777 -11.963 -8.993 35 HA ALA 7 HA ALA 7 15.784 -12.896 -7.152 36 HB1 ALA 7 HB1 ALA 7 14.194 -14.026 -9.231 37 HB2 ALA 7 HB2 ALA 7 15.891 -14.387 -9.548 38 HB3 ALA 7 HB3 ALA 7 15.166 -14.845 -8.008 39 H PHE 8 H PHE 8 17.982 -13.015 -7.464 40 HA PHE 8 HA PHE 8 20.040 -12.390 -8.199 41 HB2 PHE 8 HB2 PHE 8 18.778 -12.166 -10.936 42 HB3 PHE 8 HB3 PHE 8 20.477 -12.438 -10.563 43 HD1 PHE 8 HD1 PHE 8 17.993 -14.024 -12.040 44 HD2 PHE 8 HD2 PHE 8 20.436 -14.541 -8.593 45 HE1 PHE 8 HE1 PHE 8 17.621 -16.455 -12.144 46 HE2 PHE 8 HE2 PHE 8 20.070 -16.972 -8.693 47 HZ PHE 8 HZ PHE 8 18.660 -17.931 -10.470 48 H SER 9 H SER 9 17.967 -10.382 -7.439 49 HA SER 9 HA SER 9 18.702 -8.050 -9.017 50 HB2 SER 9 HB2 SER 9 16.342 -8.470 -8.200 51 HB3 SER 9 HB3 SER 9 16.927 -8.130 -6.572 52 HG SER 9 HG SER 9 16.313 -6.410 -8.583 53 H ARG 10 H ARG 10 19.660 -6.175 -8.123 54 HA ARG 10 HA ARG 10 21.858 -6.641 -6.456 55 HB2 ARG 10 HB2 ARG 10 20.921 -4.535 -8.033 56 HB3 ARG 10 HB3 ARG 10 21.008 -3.868 -6.407 57 HG2 ARG 10 HG2 ARG 10 23.256 -3.914 -6.366 58 HG3 ARG 10 HG3 ARG 10 23.349 -5.431 -7.263 59 HD2 ARG 10 HD2 ARG 10 22.594 -2.804 -8.526 60 HD3 ARG 10 HD3 ARG 10 24.255 -3.395 -8.444 61 HE ARG 10 HE ARG 10 22.650 -5.394 -9.571 62 HH11 ARG 10 HH11 ARG 10 23.859 -2.216 -10.318 63 HH12 ARG 10 HH12 ARG 10 23.860 -2.476 -12.031 64 HH21 ARG 10 HH21 ARG 10 22.647 -5.749 -11.824 65 HH22 ARG 10 HH22 ARG 10 23.169 -4.486 -12.887 66 H CYS 11 H CYS 11 22.121 -6.661 -4.313 67 HA CYS 11 HA CYS 11 20.555 -5.140 -2.500 68 HB2 CYS 11 HB2 CYS 11 19.288 -6.847 -1.415 69 HB3 CYS 11 HB3 CYS 11 18.945 -6.977 -3.136 70 H SER 12 H SER 12 21.242 -5.390 -0.297 71 HA SER 12 HA SER 12 23.901 -6.637 -0.102 72 HB2 SER 12 HB2 SER 12 23.218 -4.784 2.043 73 HB3 SER 12 HB3 SER 12 24.619 -4.795 0.972 74 HG SER 12 HG SER 12 22.052 -3.711 0.437 75 HA PRO 13 HA PRO 13 22.617 -9.433 3.023 76 HB2 PRO 13 HB2 PRO 13 24.736 -9.424 4.719 77 HB3 PRO 13 HB3 PRO 13 24.790 -10.174 3.119 78 HG2 PRO 13 HG2 PRO 13 25.801 -7.493 3.992 79 HG3 PRO 13 HG3 PRO 13 26.571 -8.690 2.932 80 HD2 PRO 13 HD2 PRO 13 25.287 -6.507 1.974 81 HD3 PRO 13 HD3 PRO 13 25.329 -8.051 1.099 82 H LYS 14 H LYS 14 23.785 -6.299 4.141 83 HA LYS 14 HA LYS 14 22.481 -6.583 6.716 84 HB2 LYS 14 HB2 LYS 14 24.700 -5.263 6.027 85 HB3 LYS 14 HB3 LYS 14 23.543 -3.959 5.796 86 HG2 LYS 14 HG2 LYS 14 22.998 -3.865 8.034 87 HG3 LYS 14 HG3 LYS 14 23.521 -5.524 8.338 88 HD2 LYS 14 HD2 LYS 14 25.493 -3.424 7.512 89 HD3 LYS 14 HD3 LYS 14 24.984 -3.567 9.196 90 HE2 LYS 14 HE2 LYS 14 25.928 -5.669 9.436 91 HE3 LYS 14 HE3 LYS 14 25.917 -5.983 7.701 92 HZ1 LYS 14 HZ1 LYS 14 28.143 -5.583 8.279 93 HZ2 LYS 14 HZ2 LYS 14 27.759 -4.232 9.220 94 HZ3 LYS 14 HZ3 LYS 14 27.621 -4.155 7.535 95 H ASN 15 H ASN 15 22.009 -4.850 3.688 96 HA ASN 15 HA ASN 15 19.444 -3.835 4.715 97 HB2 ASN 15 HB2 ASN 15 21.238 -2.214 3.828 98 HB3 ASN 15 HB3 ASN 15 20.821 -2.830 2.233 99 HD21 ASN 15 HD21 ASN 15 20.524 -0.185 2.829 100 HD22 ASN 15 HD22 ASN 15 18.845 0.214 2.896 101 H ASP 16 H ASP 16 19.722 -6.519 3.855 102 HA ASP 16 HA ASP 16 19.006 -6.995 1.200 103 HB2 ASP 16 HB2 ASP 16 19.631 -8.909 2.359 104 HB3 ASP 16 HB3 ASP 16 18.636 -8.512 3.757 105 H LYS 17 H LYS 17 17.364 -6.022 0.201 106 HA LYS 17 HA LYS 17 14.742 -6.007 1.545 107 HB2 LYS 17 HB2 LYS 17 16.136 -3.889 -0.032 108 HB3 LYS 17 HB3 LYS 17 14.383 -3.988 -0.127 109 HG2 LYS 17 HG2 LYS 17 15.455 -4.073 2.598 110 HG3 LYS 17 HG3 LYS 17 15.763 -2.569 1.728 111 HD2 LYS 17 HD2 LYS 17 13.066 -3.379 1.256 112 HD3 LYS 17 HD3 LYS 17 13.376 -3.405 2.993 113 HE2 LYS 17 HE2 LYS 17 14.531 -1.073 2.393 114 HE3 LYS 17 HE3 LYS 17 13.340 -1.130 1.096 115 HZ1 LYS 17 HZ1 LYS 17 11.869 -0.389 2.558 116 HZ2 LYS 17 HZ2 LYS 17 12.960 -0.540 3.842 117 HZ3 LYS 17 HZ3 LYS 17 11.996 -1.856 3.392 118 H CYS 18 H CYS 18 14.741 -8.189 0.434 119 HA CYS 18 HA CYS 18 13.793 -7.881 -2.340 120 HB2 CYS 18 HB2 CYS 18 15.167 -10.274 -1.099 121 HB3 CYS 18 HB3 CYS 18 14.545 -10.194 -2.744 122 H CYS 19 H CYS 19 12.126 -9.396 -3.015 123 HA CYS 19 HA CYS 19 9.898 -9.434 -1.425 124 HB2 CYS 19 HB2 CYS 19 10.755 -10.854 -3.856 125 HB3 CYS 19 HB3 CYS 19 9.495 -11.676 -2.940 126 HA PRO 20 HA PRO 20 10.207 -12.634 1.560 127 HB2 PRO 20 HB2 PRO 20 7.761 -13.808 1.466 128 HB3 PRO 20 HB3 PRO 20 8.027 -12.196 2.141 129 HG2 PRO 20 HG2 PRO 20 7.011 -12.972 -0.566 130 HG3 PRO 20 HG3 PRO 20 6.431 -11.699 0.525 131 HD2 PRO 20 HD2 PRO 20 8.032 -11.182 -1.597 132 HD3 PRO 20 HD3 PRO 20 8.096 -10.232 -0.098 133 H ASN 21 H ASN 21 10.213 -14.953 1.939 134 HA ASN 21 HA ASN 21 10.646 -17.119 1.390 135 HB2 ASN 21 HB2 ASN 21 9.464 -16.654 -1.338 136 HB3 ASN 21 HB3 ASN 21 9.473 -18.133 -0.380 137 HD21 ASN 21 HD21 ASN 21 7.280 -16.580 -1.631 138 HD22 ASN 21 HD22 ASN 21 6.161 -16.269 -0.352 139 H TYR 22 H TYR 22 12.346 -14.739 0.530 140 HA TYR 22 HA TYR 22 14.026 -16.208 -1.395 141 HB2 TYR 22 HB2 TYR 22 13.434 -13.265 -1.187 142 HB3 TYR 22 HB3 TYR 22 14.884 -13.849 -1.994 143 HD1 TYR 22 HD1 TYR 22 11.375 -13.213 -2.310 144 HD2 TYR 22 HD2 TYR 22 14.598 -15.453 -3.952 145 HE1 TYR 22 HE1 TYR 22 10.080 -13.552 -4.374 146 HE2 TYR 22 HE2 TYR 22 13.313 -15.799 -6.020 147 HH TYR 22 HH TYR 22 10.688 -15.820 -6.572 148 H LYS 23 H LYS 23 16.337 -14.930 -1.312 149 HA LYS 23 HA LYS 23 17.150 -14.404 1.420 150 HB2 LYS 23 HB2 LYS 23 17.214 -16.934 1.028 151 HB3 LYS 23 HB3 LYS 23 18.545 -16.616 -0.078 152 HG2 LYS 23 HG2 LYS 23 19.612 -17.148 1.905 153 HG3 LYS 23 HG3 LYS 23 19.621 -15.383 1.906 154 HD2 LYS 23 HD2 LYS 23 18.022 -15.245 3.564 155 HD3 LYS 23 HD3 LYS 23 17.359 -16.840 3.202 156 HE2 LYS 23 HE2 LYS 23 20.095 -16.395 4.383 157 HE3 LYS 23 HE3 LYS 23 18.649 -16.672 5.353 158 HZ1 LYS 23 HZ1 LYS 23 18.413 -18.755 3.865 159 HZ2 LYS 23 HZ2 LYS 23 19.517 -18.777 5.147 160 HZ3 LYS 23 HZ3 LYS 23 20.063 -18.532 3.565 161 H CYS 24 H CYS 24 19.011 -13.198 1.562 162 HA CYS 24 HA CYS 24 20.186 -12.369 -1.007 163 HB2 CYS 24 HB2 CYS 24 18.922 -10.676 0.470 164 HB3 CYS 24 HB3 CYS 24 20.321 -10.765 1.536 165 H SER 25 H SER 25 21.914 -13.706 -1.220 166 HA SER 25 HA SER 25 23.674 -14.224 1.022 167 HB2 SER 25 HB2 SER 25 23.112 -15.473 -1.498 168 HB3 SER 25 HB3 SER 25 24.842 -15.151 -1.389 169 HG SER 25 HG SER 25 23.421 -17.052 -0.166 170 H SER 26 H SER 26 25.587 -13.276 1.419 171 HA SER 26 HA SER 26 26.240 -10.838 0.119 172 HB2 SER 26 HB2 SER 26 27.968 -10.622 1.705 173 HB3 SER 26 HB3 SER 26 26.724 -11.539 2.553 174 HG SER 26 HG SER 26 28.934 -12.368 2.712 175 H LYS 27 H LYS 27 27.126 -14.124 -0.407 176 HA LYS 27 HA LYS 27 29.616 -13.950 -1.580 177 HB2 LYS 27 HB2 LYS 27 27.265 -15.746 -1.989 178 HB3 LYS 27 HB3 LYS 27 28.614 -15.857 -3.113 179 HG2 LYS 27 HG2 LYS 27 29.275 -17.408 -1.597 180 HG3 LYS 27 HG3 LYS 27 30.002 -15.978 -0.861 181 HD2 LYS 27 HD2 LYS 27 28.318 -15.819 0.761 182 HD3 LYS 27 HD3 LYS 27 27.229 -16.877 -0.140 183 HE2 LYS 27 HE2 LYS 27 28.104 -18.099 1.728 184 HE3 LYS 27 HE3 LYS 27 28.821 -18.747 0.253 185 HZ1 LYS 27 HZ1 LYS 27 30.534 -18.525 1.858 186 HZ2 LYS 27 HZ2 LYS 27 30.095 -16.932 2.223 187 HZ3 LYS 27 HZ3 LYS 27 30.774 -17.298 0.718 188 H ASP 28 H ASP 28 26.520 -13.902 -3.356 189 HA ASP 28 HA ASP 28 27.881 -12.599 -5.596 190 HB2 ASP 28 HB2 ASP 28 25.507 -14.321 -5.304 191 HB3 ASP 28 HB3 ASP 28 25.332 -13.008 -6.466 192 H LEU 29 H LEU 29 25.893 -11.868 -2.951 193 HA LEU 29 HA LEU 29 24.896 -9.954 -2.239 194 HB2 LEU 29 HB2 LEU 29 26.180 -8.592 -4.593 195 HB3 LEU 29 HB3 LEU 29 25.657 -7.861 -3.078 196 HG LEU 29 HG LEU 29 27.830 -9.920 -3.083 197 HD11 LEU 29 HD11 LEU 29 29.049 -8.615 -4.428 198 HD12 LEU 29 HD12 LEU 29 29.167 -7.539 -3.037 199 HD13 LEU 29 HD13 LEU 29 27.941 -7.252 -4.271 200 HD21 LEU 29 HD21 LEU 29 27.037 -9.336 -0.929 201 HD22 LEU 29 HD22 LEU 29 27.030 -7.616 -1.319 202 HD23 LEU 29 HD23 LEU 29 28.561 -8.476 -1.149 203 H TRP 30 H TRP 30 23.384 -11.646 -3.832 204 HA TRP 30 HA TRP 30 21.560 -9.715 -5.075 205 HB2 TRP 30 HB2 TRP 30 21.118 -11.288 -6.929 206 HB3 TRP 30 HB3 TRP 30 22.789 -10.732 -6.918 207 HD1 TRP 30 HD1 TRP 30 22.457 -13.264 -4.288 208 HE1 TRP 30 HE1 TRP 30 23.313 -15.552 -5.098 209 HE3 TRP 30 HE3 TRP 30 22.716 -12.304 -9.303 210 HZ2 TRP 30 HZ2 TRP 30 24.007 -16.786 -7.540 211 HZ3 TRP 30 HZ3 TRP 30 23.487 -14.092 -10.807 212 HH2 TRP 30 HH2 TRP 30 24.118 -16.286 -9.942 213 H CYS 31 H CYS 31 19.517 -11.273 -5.818 214 HA CYS 31 HA CYS 31 18.629 -12.421 -3.270 215 HB2 CYS 31 HB2 CYS 31 16.908 -11.746 -5.657 216 HB3 CYS 31 HB3 CYS 31 16.389 -12.027 -3.998 217 H LYS 32 H LYS 32 17.948 -14.498 -3.072 218 HA LYS 32 HA LYS 32 17.886 -16.173 -5.484 219 HB2 LYS 32 HB2 LYS 32 19.349 -16.806 -2.916 220 HB3 LYS 32 HB3 LYS 32 19.063 -17.967 -4.205 221 HG2 LYS 32 HG2 LYS 32 20.223 -15.926 -5.573 222 HG3 LYS 32 HG3 LYS 32 21.034 -15.812 -4.010 223 HD2 LYS 32 HD2 LYS 32 22.320 -17.269 -5.408 224 HD3 LYS 32 HD3 LYS 32 21.531 -18.254 -4.173 225 HE2 LYS 32 HE2 LYS 32 19.664 -18.369 -6.093 226 HE3 LYS 32 HE3 LYS 32 21.097 -18.157 -7.097 227 HZ1 LYS 32 HZ1 LYS 32 22.016 -20.043 -5.572 228 HZ2 LYS 32 HZ2 LYS 32 21.032 -20.416 -6.896 229 HZ3 LYS 32 HZ3 LYS 32 20.376 -20.390 -5.337 230 H TYR 33 H TYR 33 16.501 -17.951 -5.398 231 HA TYR 33 HA TYR 33 14.288 -17.661 -3.591 232 HB2 TYR 33 HB2 TYR 33 13.227 -19.392 -4.888 233 HB3 TYR 33 HB3 TYR 33 14.029 -18.284 -5.995 234 HD1 TYR 33 HD1 TYR 33 16.060 -18.976 -7.191 235 HD2 TYR 33 HD2 TYR 33 13.953 -21.677 -4.666 236 HE1 TYR 33 HE1 TYR 33 17.261 -20.862 -8.216 237 HE2 TYR 33 HE2 TYR 33 15.149 -23.570 -5.684 238 HH TYR 33 HH TYR 33 16.565 -23.585 -8.439 239 H LYS 34 H LYS 34 13.864 -18.776 -1.790 240 HA LYS 34 HA LYS 34 15.321 -21.262 -1.261 241 HB2 LYS 34 HB2 LYS 34 15.451 -18.742 0.317 242 HB3 LYS 34 HB3 LYS 34 15.400 -20.257 1.208 243 HG2 LYS 34 HG2 LYS 34 17.374 -19.816 -1.002 244 HG3 LYS 34 HG3 LYS 34 17.686 -19.260 0.644 245 HD2 LYS 34 HD2 LYS 34 17.110 -21.672 1.338 246 HD3 LYS 34 HD3 LYS 34 17.343 -22.064 -0.368 247 HE2 LYS 34 HE2 LYS 34 19.607 -21.252 -0.296 248 HE3 LYS 34 HE3 LYS 34 19.387 -20.665 1.352 249 HZ1 LYS 34 HZ1 LYS 34 19.964 -23.326 0.410 250 HZ2 LYS 34 HZ2 LYS 34 18.732 -23.270 1.567 251 HZ3 LYS 34 HZ3 LYS 34 20.256 -22.627 1.922 252 H ILE 35 H ILE 35 13.977 -22.807 -0.617 253 HA ILE 35 HA ILE 35 11.612 -22.097 0.957 254 HB ILE 35 HB ILE 35 10.299 -23.792 -0.423 255 HG12 ILE 35 HG12 ILE 35 11.983 -23.133 -2.762 256 HG13 ILE 35 HG13 ILE 35 12.682 -24.284 -1.629 257 HG21 ILE 35 HG21 ILE 35 9.672 -21.531 -0.572 258 HG22 ILE 35 HG22 ILE 35 11.121 -21.103 -1.479 259 HG23 ILE 35 HG23 ILE 35 9.858 -22.069 -2.240 260 HD11 ILE 35 HD11 ILE 35 10.771 -24.746 -3.653 261 HD12 ILE 35 HD12 ILE 35 11.461 -25.897 -2.508 262 HD13 ILE 35 HD13 ILE 35 9.984 -25.024 -2.100 263 H TRP 36 H TRP 36 11.584 -23.298 2.726 264 HA TRP 36 HA TRP 36 12.719 -26.016 2.602 265 HB2 TRP 36 HB2 TRP 36 13.528 -25.782 4.837 266 HB3 TRP 36 HB3 TRP 36 14.035 -24.343 3.958 267 HD1 TRP 36 HD1 TRP 36 13.144 -22.025 4.800 268 HE1 TRP 36 HE1 TRP 36 11.771 -21.290 6.849 269 HE3 TRP 36 HE3 TRP 36 11.570 -26.614 6.411 270 HZ2 TRP 36 HZ2 TRP 36 10.224 -22.495 8.879 271 HZ3 TRP 36 HZ3 TRP 36 10.146 -26.736 8.414 272 HH2 TRP 36 HH2 TRP 36 9.489 -24.717 9.622 Start of MODEL 8 1 H SER 1 H SER 1 1.364 1.605 -1.174 2 HA SER 1 HA SER 1 1.665 -1.294 -1.245 3 HB2 SER 1 HB2 SER 1 1.726 0.873 -3.326 4 HB3 SER 1 HB3 SER 1 2.370 -0.728 -3.685 5 HG SER 1 HG SER 1 -0.247 0.097 -3.322 6 H GLU 2 H GLU 2 3.630 -2.316 -1.866 7 HA GLU 2 HA GLU 2 6.033 -0.707 -1.293 8 HB2 GLU 2 HB2 GLU 2 5.457 -3.586 -0.580 9 HB3 GLU 2 HB3 GLU 2 7.036 -2.829 -0.416 10 HG2 GLU 2 HG2 GLU 2 4.543 -1.879 0.974 11 HG3 GLU 2 HG3 GLU 2 5.749 -2.944 1.694 12 H ASP 3 H ASP 3 8.058 -1.682 -2.211 13 HA ASP 3 HA ASP 3 7.552 -3.056 -4.762 14 HB2 ASP 3 HB2 ASP 3 9.303 -0.630 -4.328 15 HB3 ASP 3 HB3 ASP 3 9.314 -1.604 -5.795 16 H CYS 4 H CYS 4 8.255 -4.977 -3.716 17 HA CYS 4 HA CYS 4 10.855 -5.153 -2.528 18 HB2 CYS 4 HB2 CYS 4 10.417 -7.582 -2.479 19 HB3 CYS 4 HB3 CYS 4 9.071 -6.657 -1.820 20 H LEU 5 H LEU 5 12.548 -6.626 -3.329 21 HA LEU 5 HA LEU 5 13.043 -6.119 -6.143 22 HB2 LEU 5 HB2 LEU 5 14.711 -7.231 -3.905 23 HB3 LEU 5 HB3 LEU 5 15.267 -7.224 -5.578 24 HG LEU 5 HG LEU 5 14.460 -4.710 -4.135 25 HD11 LEU 5 HD11 LEU 5 16.223 -5.122 -2.800 26 HD12 LEU 5 HD12 LEU 5 17.152 -4.588 -4.201 27 HD13 LEU 5 HD13 LEU 5 16.919 -6.310 -3.903 28 HD21 LEU 5 HD21 LEU 5 14.996 -3.667 -6.026 29 HD22 LEU 5 HD22 LEU 5 15.017 -5.255 -6.796 30 HD23 LEU 5 HD23 LEU 5 16.512 -4.557 -6.171 31 H GLY 6 H GLY 6 13.961 -7.866 -7.515 32 HA2 GLY 6 HA2 GLY 6 12.381 -10.317 -7.132 33 HA3 GLY 6 HA3 GLY 6 13.016 -9.738 -8.665 34 H ALA 7 H ALA 7 13.695 -12.048 -8.779 35 HA ALA 7 HA ALA 7 15.799 -12.965 -7.076 36 HB1 ALA 7 HB1 ALA 7 15.585 -14.252 -9.693 37 HB2 ALA 7 HB2 ALA 7 15.485 -14.945 -8.074 38 HB3 ALA 7 HB3 ALA 7 14.067 -14.185 -8.796 39 H PHE 8 H PHE 8 17.985 -13.051 -7.442 40 HA PHE 8 HA PHE 8 20.019 -12.402 -8.227 41 HB2 PHE 8 HB2 PHE 8 18.718 -12.161 -10.940 42 HB3 PHE 8 HB3 PHE 8 20.410 -12.490 -10.582 43 HD1 PHE 8 HD1 PHE 8 17.872 -13.987 -12.053 44 HD2 PHE 8 HD2 PHE 8 20.308 -14.600 -8.616 45 HE1 PHE 8 HE1 PHE 8 17.422 -16.404 -12.168 46 HE2 PHE 8 HE2 PHE 8 19.863 -17.017 -8.727 47 HZ PHE 8 HZ PHE 8 18.418 -17.921 -10.505 48 H SER 9 H SER 9 17.938 -10.413 -7.423 49 HA SER 9 HA SER 9 18.643 -8.074 -9.011 50 HB2 SER 9 HB2 SER 9 16.284 -8.498 -8.229 51 HB3 SER 9 HB3 SER 9 16.843 -8.196 -6.584 52 HG SER 9 HG SER 9 17.134 -6.358 -8.724 53 H ARG 10 H ARG 10 19.538 -6.171 -8.080 54 HA ARG 10 HA ARG 10 21.753 -6.608 -6.428 55 HB2 ARG 10 HB2 ARG 10 22.099 -4.250 -6.487 56 HB3 ARG 10 HB3 ARG 10 21.433 -4.708 -8.049 57 HG2 ARG 10 HG2 ARG 10 19.158 -4.069 -6.980 58 HG3 ARG 10 HG3 ARG 10 20.155 -3.189 -5.820 59 HD2 ARG 10 HD2 ARG 10 20.171 -2.842 -8.817 60 HD3 ARG 10 HD3 ARG 10 19.457 -1.736 -7.645 61 HE ARG 10 HE ARG 10 22.069 -1.946 -6.882 62 HH11 ARG 10 HH11 ARG 10 20.422 -1.068 -9.822 63 HH12 ARG 10 HH12 ARG 10 21.667 0.015 -10.350 64 HH21 ARG 10 HH21 ARG 10 23.714 -0.522 -7.567 65 HH22 ARG 10 HH22 ARG 10 23.539 0.324 -9.067 66 H CYS 11 H CYS 11 22.071 -6.542 -4.281 67 HA CYS 11 HA CYS 11 20.465 -5.133 -2.440 68 HB2 CYS 11 HB2 CYS 11 19.226 -6.871 -1.380 69 HB3 CYS 11 HB3 CYS 11 18.888 -6.994 -3.103 70 H SER 12 H SER 12 21.196 -5.357 -0.265 71 HA SER 12 HA SER 12 23.865 -6.581 -0.093 72 HB2 SER 12 HB2 SER 12 22.640 -4.140 1.112 73 HB3 SER 12 HB3 SER 12 23.887 -4.983 2.031 74 HG SER 12 HG SER 12 25.334 -4.607 0.427 75 HA PRO 13 HA PRO 13 22.646 -9.426 3.014 76 HB2 PRO 13 HB2 PRO 13 24.777 -9.399 4.696 77 HB3 PRO 13 HB3 PRO 13 24.831 -10.133 3.089 78 HG2 PRO 13 HG2 PRO 13 25.807 -7.446 3.979 79 HG3 PRO 13 HG3 PRO 13 26.588 -8.620 2.904 80 HD2 PRO 13 HD2 PRO 13 25.264 -6.449 1.974 81 HD3 PRO 13 HD3 PRO 13 25.323 -7.984 1.085 82 H LYS 14 H LYS 14 23.772 -6.283 4.152 83 HA LYS 14 HA LYS 14 22.493 -6.611 6.734 84 HB2 LYS 14 HB2 LYS 14 23.362 -4.387 7.226 85 HB3 LYS 14 HB3 LYS 14 24.631 -5.409 6.565 86 HG2 LYS 14 HG2 LYS 14 24.317 -4.348 4.370 87 HG3 LYS 14 HG3 LYS 14 23.091 -3.291 5.077 88 HD2 LYS 14 HD2 LYS 14 25.042 -2.001 5.099 89 HD3 LYS 14 HD3 LYS 14 24.915 -2.616 6.748 90 HE2 LYS 14 HE2 LYS 14 26.549 -4.317 6.299 91 HE3 LYS 14 HE3 LYS 14 26.580 -3.899 4.587 92 HZ1 LYS 14 HZ1 LYS 14 28.478 -2.973 5.753 93 HZ2 LYS 14 HZ2 LYS 14 27.457 -2.138 6.812 94 HZ3 LYS 14 HZ3 LYS 14 27.484 -1.734 5.170 95 H ASN 15 H ASN 15 21.969 -4.860 3.725 96 HA ASN 15 HA ASN 15 19.395 -3.896 4.781 97 HB2 ASN 15 HB2 ASN 15 21.266 -2.808 2.698 98 HB3 ASN 15 HB3 ASN 15 19.562 -2.365 2.680 99 HD21 ASN 15 HD21 ASN 15 18.866 -1.982 5.182 100 HD22 ASN 15 HD22 ASN 15 19.826 -0.764 5.942 101 H ASP 16 H ASP 16 19.691 -6.566 3.909 102 HA ASP 16 HA ASP 16 18.975 -7.043 1.255 103 HB2 ASP 16 HB2 ASP 16 19.615 -8.956 2.407 104 HB3 ASP 16 HB3 ASP 16 18.624 -8.566 3.810 105 H LYS 17 H LYS 17 17.340 -6.018 0.285 106 HA LYS 17 HA LYS 17 14.714 -6.044 1.624 107 HB2 LYS 17 HB2 LYS 17 15.966 -3.782 1.168 108 HB3 LYS 17 HB3 LYS 17 15.399 -4.024 -0.479 109 HG2 LYS 17 HG2 LYS 17 13.301 -4.398 1.500 110 HG3 LYS 17 HG3 LYS 17 14.018 -2.785 1.547 111 HD2 LYS 17 HD2 LYS 17 13.704 -2.752 -0.983 112 HD3 LYS 17 HD3 LYS 17 12.675 -4.169 -0.761 113 HE2 LYS 17 HE2 LYS 17 11.085 -2.545 -0.627 114 HE3 LYS 17 HE3 LYS 17 11.562 -2.605 1.069 115 HZ1 LYS 17 HZ1 LYS 17 12.468 -0.573 0.969 116 HZ2 LYS 17 HZ2 LYS 17 11.492 -0.370 -0.397 117 HZ3 LYS 17 HZ3 LYS 17 13.117 -0.803 -0.577 118 H CYS 18 H CYS 18 14.723 -8.225 0.511 119 HA CYS 18 HA CYS 18 13.762 -7.921 -2.259 120 HB2 CYS 18 HB2 CYS 18 15.159 -10.305 -1.028 121 HB3 CYS 18 HB3 CYS 18 14.531 -10.227 -2.672 122 H CYS 19 H CYS 19 12.104 -9.446 -2.928 123 HA CYS 19 HA CYS 19 9.883 -9.505 -1.330 124 HB2 CYS 19 HB2 CYS 19 10.740 -10.914 -3.766 125 HB3 CYS 19 HB3 CYS 19 9.494 -11.750 -2.845 126 HA PRO 20 HA PRO 20 10.229 -12.702 1.652 127 HB2 PRO 20 HB2 PRO 20 7.791 -13.893 1.570 128 HB3 PRO 20 HB3 PRO 20 8.050 -12.279 2.244 129 HG2 PRO 20 HG2 PRO 20 7.026 -13.061 -0.457 130 HG3 PRO 20 HG3 PRO 20 6.442 -11.793 0.636 131 HD2 PRO 20 HD2 PRO 20 8.029 -11.263 -1.493 132 HD3 PRO 20 HD3 PRO 20 8.094 -10.314 0.005 133 H ASN 21 H ASN 21 10.261 -15.018 2.029 134 HA ASN 21 HA ASN 21 10.712 -17.181 1.478 135 HB2 ASN 21 HB2 ASN 21 9.511 -16.755 -1.243 136 HB3 ASN 21 HB3 ASN 21 9.510 -18.210 -0.251 137 HD21 ASN 21 HD21 ASN 21 7.513 -16.080 -1.477 138 HD22 ASN 21 HD22 ASN 21 6.325 -15.961 -0.229 139 H TYR 22 H TYR 22 12.391 -14.798 0.617 140 HA TYR 22 HA TYR 22 14.058 -16.248 -1.336 141 HB2 TYR 22 HB2 TYR 22 13.446 -13.310 -1.115 142 HB3 TYR 22 HB3 TYR 22 14.892 -13.881 -1.937 143 HD1 TYR 22 HD1 TYR 22 11.376 -13.270 -2.220 144 HD2 TYR 22 HD2 TYR 22 14.599 -15.487 -3.894 145 HE1 TYR 22 HE1 TYR 22 10.064 -13.616 -4.271 146 HE2 TYR 22 HE2 TYR 22 13.296 -15.838 -5.951 147 HH TYR 22 HH TYR 22 9.940 -14.786 -6.202 148 H LYS 23 H LYS 23 16.361 -14.957 -1.275 149 HA LYS 23 HA LYS 23 17.200 -14.431 1.451 150 HB2 LYS 23 HB2 LYS 23 17.277 -16.977 0.969 151 HB3 LYS 23 HB3 LYS 23 18.663 -16.590 -0.044 152 HG2 LYS 23 HG2 LYS 23 18.681 -15.511 2.708 153 HG3 LYS 23 HG3 LYS 23 18.881 -17.256 2.525 154 HD2 LYS 23 HD2 LYS 23 20.489 -15.502 0.752 155 HD3 LYS 23 HD3 LYS 23 20.939 -15.561 2.457 156 HE2 LYS 23 HE2 LYS 23 20.612 -17.966 0.666 157 HE3 LYS 23 HE3 LYS 23 22.153 -17.212 1.071 158 HZ1 LYS 23 HZ1 LYS 23 22.217 -18.370 2.940 159 HZ2 LYS 23 HZ2 LYS 23 20.789 -19.163 2.502 160 HZ3 LYS 23 HZ3 LYS 23 20.721 -17.754 3.436 161 H CYS 24 H CYS 24 19.053 -13.213 1.578 162 HA CYS 24 HA CYS 24 20.186 -12.355 -1.001 163 HB2 CYS 24 HB2 CYS 24 18.937 -10.684 0.514 164 HB3 CYS 24 HB3 CYS 24 20.353 -10.775 1.555 165 H SER 25 H SER 25 21.919 -13.678 -1.256 166 HA SER 25 HA SER 25 23.711 -14.227 0.949 167 HB2 SER 25 HB2 SER 25 23.090 -15.479 -1.514 168 HB3 SER 25 HB3 SER 25 24.795 -15.033 -1.586 169 HG SER 25 HG SER 25 23.858 -16.215 0.761 170 H SER 26 H SER 26 25.600 -13.252 1.368 171 HA SER 26 HA SER 26 26.225 -10.783 0.109 172 HB2 SER 26 HB2 SER 26 27.804 -10.506 1.772 173 HB3 SER 26 HB3 SER 26 26.739 -11.680 2.543 174 HG SER 26 HG SER 26 28.851 -12.389 2.743 175 H LYS 27 H LYS 27 27.174 -14.051 -0.447 176 HA LYS 27 HA LYS 27 29.659 -13.803 -1.624 177 HB2 LYS 27 HB2 LYS 27 27.372 -15.679 -1.964 178 HB3 LYS 27 HB3 LYS 27 28.650 -15.728 -3.170 179 HG2 LYS 27 HG2 LYS 27 30.290 -16.244 -1.512 180 HG3 LYS 27 HG3 LYS 27 29.127 -15.979 -0.209 181 HD2 LYS 27 HD2 LYS 27 28.731 -18.070 -2.337 182 HD3 LYS 27 HD3 LYS 27 29.605 -18.395 -0.839 183 HE2 LYS 27 HE2 LYS 27 27.490 -17.425 0.306 184 HE3 LYS 27 HE3 LYS 27 26.711 -17.743 -1.242 185 HZ1 LYS 27 HZ1 LYS 27 28.172 -20.014 -0.518 186 HZ2 LYS 27 HZ2 LYS 27 26.495 -19.851 -0.656 187 HZ3 LYS 27 HZ3 LYS 27 27.255 -19.549 0.825 188 H ASP 28 H ASP 28 26.554 -13.850 -3.387 189 HA ASP 28 HA ASP 28 27.863 -12.530 -5.644 190 HB2 ASP 28 HB2 ASP 28 25.509 -14.271 -5.305 191 HB3 ASP 28 HB3 ASP 28 25.300 -12.964 -6.467 192 H LEU 29 H LEU 29 25.903 -11.804 -2.975 193 HA LEU 29 HA LEU 29 24.901 -9.893 -2.256 194 HB2 LEU 29 HB2 LEU 29 26.148 -8.531 -4.630 195 HB3 LEU 29 HB3 LEU 29 25.638 -7.800 -3.110 196 HG LEU 29 HG LEU 29 27.834 -9.838 -3.156 197 HD11 LEU 29 HD11 LEU 29 29.058 -7.351 -3.075 198 HD12 LEU 29 HD12 LEU 29 27.892 -7.225 -4.392 199 HD13 LEU 29 HD13 LEU 29 29.101 -8.508 -4.406 200 HD21 LEU 29 HD21 LEU 29 28.402 -8.977 -1.084 201 HD22 LEU 29 HD22 LEU 29 26.641 -8.886 -1.062 202 HD23 LEU 29 HD23 LEU 29 27.596 -7.438 -1.386 203 H TRP 30 H TRP 30 23.391 -11.605 -3.841 204 HA TRP 30 HA TRP 30 21.531 -9.691 -5.056 205 HB2 TRP 30 HB2 TRP 30 21.089 -11.256 -6.914 206 HB3 TRP 30 HB3 TRP 30 22.755 -10.687 -6.914 207 HD1 TRP 30 HD1 TRP 30 22.481 -13.230 -4.294 208 HE1 TRP 30 HE1 TRP 30 23.341 -15.509 -5.125 209 HE3 TRP 30 HE3 TRP 30 22.654 -12.254 -9.310 210 HZ2 TRP 30 HZ2 TRP 30 24.005 -16.731 -7.581 211 HZ3 TRP 30 HZ3 TRP 30 23.413 -14.030 -10.832 212 HH2 TRP 30 HH2 TRP 30 24.075 -16.223 -9.983 213 H CYS 31 H CYS 31 19.498 -11.264 -5.783 214 HA CYS 31 HA CYS 31 18.652 -12.439 -3.233 215 HB2 CYS 31 HB2 CYS 31 16.893 -11.767 -5.592 216 HB3 CYS 31 HB3 CYS 31 16.400 -12.060 -3.926 217 H LYS 32 H LYS 32 17.951 -14.519 -3.049 218 HA LYS 32 HA LYS 32 17.926 -16.180 -5.473 219 HB2 LYS 32 HB2 LYS 32 19.303 -16.875 -2.872 220 HB3 LYS 32 HB3 LYS 32 19.098 -17.973 -4.231 221 HG2 LYS 32 HG2 LYS 32 20.321 -15.513 -5.088 222 HG3 LYS 32 HG3 LYS 32 21.226 -16.238 -3.758 223 HD2 LYS 32 HD2 LYS 32 20.331 -17.859 -6.122 224 HD3 LYS 32 HD3 LYS 32 21.839 -16.940 -6.147 225 HE2 LYS 32 HE2 LYS 32 22.635 -18.930 -5.376 226 HE3 LYS 32 HE3 LYS 32 22.200 -18.186 -3.837 227 HZ1 LYS 32 HZ1 LYS 32 20.645 -19.717 -3.476 228 HZ2 LYS 32 HZ2 LYS 32 21.344 -20.605 -4.735 229 HZ3 LYS 32 HZ3 LYS 32 20.019 -19.599 -5.043 230 H TYR 33 H TYR 33 16.510 -17.921 -5.447 231 HA TYR 33 HA TYR 33 14.288 -17.655 -3.638 232 HB2 TYR 33 HB2 TYR 33 13.212 -19.340 -5.001 233 HB3 TYR 33 HB3 TYR 33 14.002 -18.171 -6.054 234 HD1 TYR 33 HD1 TYR 33 16.021 -18.791 -7.305 235 HD2 TYR 33 HD2 TYR 33 13.951 -21.628 -4.905 236 HE1 TYR 33 HE1 TYR 33 17.221 -20.615 -8.437 237 HE2 TYR 33 HE2 TYR 33 15.145 -23.461 -6.030 238 HH TYR 33 HH TYR 33 17.838 -23.186 -7.637 239 H LYS 34 H LYS 34 13.870 -18.810 -1.866 240 HA LYS 34 HA LYS 34 15.258 -21.355 -1.445 241 HB2 LYS 34 HB2 LYS 34 15.477 -18.898 0.220 242 HB3 LYS 34 HB3 LYS 34 15.392 -20.441 1.059 243 HG2 LYS 34 HG2 LYS 34 17.399 -19.762 -1.080 244 HG3 LYS 34 HG3 LYS 34 17.698 -19.667 0.656 245 HD2 LYS 34 HD2 LYS 34 16.968 -22.132 0.708 246 HD3 LYS 34 HD3 LYS 34 17.204 -22.094 -1.041 247 HE2 LYS 34 HE2 LYS 34 19.523 -21.070 -0.412 248 HE3 LYS 34 HE3 LYS 34 19.210 -21.811 1.156 249 HZ1 LYS 34 HZ1 LYS 34 18.912 -23.413 -1.292 250 HZ2 LYS 34 HZ2 LYS 34 19.288 -23.917 0.277 251 HZ3 LYS 34 HZ3 LYS 34 20.457 -23.135 -0.662 252 H ILE 35 H ILE 35 14.087 -22.875 -0.359 253 HA ILE 35 HA ILE 35 11.478 -22.051 0.724 254 HB ILE 35 HB ILE 35 10.592 -24.269 -0.129 255 HG12 ILE 35 HG12 ILE 35 13.074 -24.084 -1.853 256 HG13 ILE 35 HG13 ILE 35 12.760 -25.308 -0.629 257 HG21 ILE 35 HG21 ILE 35 10.151 -21.989 -1.114 258 HG22 ILE 35 HG22 ILE 35 11.393 -22.357 -2.309 259 HG23 ILE 35 HG23 ILE 35 9.940 -23.352 -2.213 260 HD11 ILE 35 HD11 ILE 35 10.557 -25.368 -2.347 261 HD12 ILE 35 HD12 ILE 35 11.983 -25.250 -3.379 262 HD13 ILE 35 HD13 ILE 35 11.850 -26.558 -2.204 263 H TRP 36 H TRP 36 11.134 -22.720 2.735 264 HA TRP 36 HA TRP 36 13.044 -24.264 4.144 265 HB2 TRP 36 HB2 TRP 36 11.558 -24.061 6.043 266 HB3 TRP 36 HB3 TRP 36 11.601 -22.524 5.184 267 HD1 TRP 36 HD1 TRP 36 9.394 -21.948 3.646 268 HE1 TRP 36 HE1 TRP 36 6.931 -22.610 3.995 269 HE3 TRP 36 HE3 TRP 36 10.050 -25.827 6.911 270 HZ2 TRP 36 HZ2 TRP 36 5.461 -24.522 5.460 271 HZ3 TRP 36 HZ3 TRP 36 8.064 -27.021 7.739 272 HH2 TRP 36 HH2 TRP 36 5.818 -26.379 7.028 Start of MODEL 9 1 H SER 1 H SER 1 1.121 -2.146 -5.423 2 HA SER 1 HA SER 1 1.703 0.425 -4.107 3 HB2 SER 1 HB2 SER 1 -0.370 -0.385 -3.268 4 HB3 SER 1 HB3 SER 1 0.250 -2.028 -3.114 5 HG SER 1 HG SER 1 1.034 0.236 -1.591 6 H GLU 2 H GLU 2 2.116 -2.986 -3.175 7 HA GLU 2 HA GLU 2 4.426 -2.606 -1.678 8 HB2 GLU 2 HB2 GLU 2 3.569 -5.082 -3.185 9 HB3 GLU 2 HB3 GLU 2 4.776 -5.038 -1.909 10 HG2 GLU 2 HG2 GLU 2 2.022 -4.030 -1.373 11 HG3 GLU 2 HG3 GLU 2 2.339 -5.764 -1.384 12 H ASP 3 H ASP 3 6.609 -2.801 -2.093 13 HA ASP 3 HA ASP 3 7.444 -3.111 -4.887 14 HB2 ASP 3 HB2 ASP 3 7.431 -0.644 -3.461 15 HB3 ASP 3 HB3 ASP 3 9.109 -1.133 -3.684 16 H CYS 4 H CYS 4 8.553 -4.971 -4.696 17 HA CYS 4 HA CYS 4 10.827 -4.989 -2.838 18 HB2 CYS 4 HB2 CYS 4 10.409 -7.456 -2.505 19 HB3 CYS 4 HB3 CYS 4 9.226 -6.389 -1.755 20 H LEU 5 H LEU 5 12.650 -6.134 -3.539 21 HA LEU 5 HA LEU 5 13.036 -6.169 -6.355 22 HB2 LEU 5 HB2 LEU 5 14.716 -7.123 -4.050 23 HB3 LEU 5 HB3 LEU 5 15.245 -7.236 -5.727 24 HG LEU 5 HG LEU 5 14.558 -4.653 -4.329 25 HD11 LEU 5 HD11 LEU 5 16.478 -5.194 -3.224 26 HD12 LEU 5 HD12 LEU 5 17.166 -4.444 -4.663 27 HD13 LEU 5 HD13 LEU 5 17.086 -6.201 -4.538 28 HD21 LEU 5 HD21 LEU 5 15.093 -5.383 -7.075 29 HD22 LEU 5 HD22 LEU 5 16.257 -4.200 -6.479 30 HD23 LEU 5 HD23 LEU 5 14.529 -3.852 -6.404 31 H GLY 6 H GLY 6 13.774 -8.032 -7.611 32 HA2 GLY 6 HA2 GLY 6 12.175 -10.397 -6.941 33 HA3 GLY 6 HA3 GLY 6 12.814 -9.998 -8.530 34 H ALA 7 H ALA 7 13.838 -11.923 -8.921 35 HA ALA 7 HA ALA 7 15.759 -12.932 -6.975 36 HB1 ALA 7 HB1 ALA 7 15.106 -14.889 -7.786 37 HB2 ALA 7 HB2 ALA 7 14.163 -14.090 -9.045 38 HB3 ALA 7 HB3 ALA 7 15.861 -14.475 -9.326 39 H PHE 8 H PHE 8 17.950 -13.007 -7.279 40 HA PHE 8 HA PHE 8 20.002 -12.406 -8.053 41 HB2 PHE 8 HB2 PHE 8 18.738 -12.214 -10.788 42 HB3 PHE 8 HB3 PHE 8 20.429 -12.519 -10.406 43 HD1 PHE 8 HD1 PHE 8 17.915 -14.068 -11.871 44 HD2 PHE 8 HD2 PHE 8 20.331 -14.593 -8.406 45 HE1 PHE 8 HE1 PHE 8 17.488 -16.490 -11.945 46 HE2 PHE 8 HE2 PHE 8 19.908 -17.017 -8.475 47 HZ PHE 8 HZ PHE 8 18.486 -17.968 -10.246 48 H SER 9 H SER 9 17.936 -10.391 -7.304 49 HA SER 9 HA SER 9 18.624 -8.085 -8.936 50 HB2 SER 9 HB2 SER 9 16.298 -8.639 -7.864 51 HB3 SER 9 HB3 SER 9 17.002 -7.917 -6.417 52 HG SER 9 HG SER 9 16.871 -6.664 -8.961 53 H ARG 10 H ARG 10 19.605 -6.193 -8.104 54 HA ARG 10 HA ARG 10 21.850 -6.622 -6.491 55 HB2 ARG 10 HB2 ARG 10 21.222 -4.698 -8.192 56 HB3 ARG 10 HB3 ARG 10 20.686 -3.884 -6.730 57 HG2 ARG 10 HG2 ARG 10 22.797 -3.628 -5.929 58 HG3 ARG 10 HG3 ARG 10 23.389 -5.097 -6.709 59 HD2 ARG 10 HD2 ARG 10 24.408 -3.580 -8.052 60 HD3 ARG 10 HD3 ARG 10 22.860 -3.663 -8.890 61 HE ARG 10 HE ARG 10 22.515 -1.680 -7.059 62 HH11 ARG 10 HH11 ARG 10 24.844 -2.304 -9.571 63 HH12 ARG 10 HH12 ARG 10 25.147 -0.627 -9.886 64 HH21 ARG 10 HH21 ARG 10 22.906 0.530 -7.465 65 HH22 ARG 10 HH22 ARG 10 24.045 0.984 -8.686 66 H CYS 11 H CYS 11 22.100 -6.739 -4.362 67 HA CYS 11 HA CYS 11 20.607 -5.141 -2.529 68 HB2 CYS 11 HB2 CYS 11 19.367 -6.832 -1.393 69 HB3 CYS 11 HB3 CYS 11 18.988 -6.993 -3.104 70 H SER 12 H SER 12 21.277 -5.489 -0.289 71 HA SER 12 HA SER 12 23.974 -6.670 -0.162 72 HB2 SER 12 HB2 SER 12 22.788 -4.196 0.990 73 HB3 SER 12 HB3 SER 12 23.979 -5.049 1.972 74 HG SER 12 HG SER 12 25.129 -5.017 -0.272 75 HA PRO 13 HA PRO 13 22.770 -9.486 2.978 76 HB2 PRO 13 HB2 PRO 13 24.918 -9.460 4.638 77 HB3 PRO 13 HB3 PRO 13 24.952 -10.205 3.035 78 HG2 PRO 13 HG2 PRO 13 25.952 -7.518 3.897 79 HG3 PRO 13 HG3 PRO 13 26.715 -8.704 2.822 80 HD2 PRO 13 HD2 PRO 13 25.394 -6.531 1.891 81 HD3 PRO 13 HD3 PRO 13 25.436 -8.073 1.011 82 H LYS 14 H LYS 14 23.926 -6.343 4.084 83 HA LYS 14 HA LYS 14 22.633 -6.650 6.669 84 HB2 LYS 14 HB2 LYS 14 23.533 -4.385 7.114 85 HB3 LYS 14 HB3 LYS 14 24.777 -5.530 6.632 86 HG2 LYS 14 HG2 LYS 14 23.995 -4.405 4.243 87 HG3 LYS 14 HG3 LYS 14 23.934 -3.053 5.375 88 HD2 LYS 14 HD2 LYS 14 26.285 -4.244 6.068 89 HD3 LYS 14 HD3 LYS 14 26.238 -4.541 4.329 90 HE2 LYS 14 HE2 LYS 14 27.094 -2.482 4.136 91 HE3 LYS 14 HE3 LYS 14 25.462 -1.921 4.498 92 HZ1 LYS 14 HZ1 LYS 14 26.142 -1.986 6.897 93 HZ2 LYS 14 HZ2 LYS 14 26.906 -0.800 5.963 94 HZ3 LYS 14 HZ3 LYS 14 27.736 -2.216 6.375 95 H ASN 15 H ASN 15 22.200 -4.871 3.662 96 HA ASN 15 HA ASN 15 19.659 -3.809 4.699 97 HB2 ASN 15 HB2 ASN 15 21.474 -2.831 2.492 98 HB3 ASN 15 HB3 ASN 15 19.840 -2.217 2.729 99 HD21 ASN 15 HD21 ASN 15 20.756 -0.149 3.072 100 HD22 ASN 15 HD22 ASN 15 21.466 0.262 4.593 101 H ASP 16 H ASP 16 19.862 -6.494 3.836 102 HA ASP 16 HA ASP 16 19.132 -6.949 1.181 103 HB2 ASP 16 HB2 ASP 16 19.706 -8.882 2.332 104 HB3 ASP 16 HB3 ASP 16 18.731 -8.457 3.737 105 H LYS 17 H LYS 17 17.465 -6.130 0.117 106 HA LYS 17 HA LYS 17 14.862 -5.980 1.485 107 HB2 LYS 17 HB2 LYS 17 16.175 -3.924 -0.284 108 HB3 LYS 17 HB3 LYS 17 14.438 -3.943 -0.005 109 HG2 LYS 17 HG2 LYS 17 14.831 -3.694 2.401 110 HG3 LYS 17 HG3 LYS 17 16.570 -3.645 2.103 111 HD2 LYS 17 HD2 LYS 17 16.049 -1.399 2.221 112 HD3 LYS 17 HD3 LYS 17 15.956 -1.696 0.483 113 HE2 LYS 17 HE2 LYS 17 13.510 -2.003 2.171 114 HE3 LYS 17 HE3 LYS 17 14.050 -0.390 1.708 115 HZ1 LYS 17 HZ1 LYS 17 12.642 -2.284 0.170 116 HZ2 LYS 17 HZ2 LYS 17 14.122 -1.960 -0.581 117 HZ3 LYS 17 HZ3 LYS 17 13.057 -0.694 -0.232 118 H CYS 18 H CYS 18 14.825 -8.168 0.388 119 HA CYS 18 HA CYS 18 13.883 -7.860 -2.388 120 HB2 CYS 18 HB2 CYS 18 15.218 -10.269 -1.135 121 HB3 CYS 18 HB3 CYS 18 14.598 -10.187 -2.781 122 H CYS 19 H CYS 19 12.193 -9.352 -3.054 123 HA CYS 19 HA CYS 19 9.963 -9.346 -1.466 124 HB2 CYS 19 HB2 CYS 19 10.803 -10.829 -3.874 125 HB3 CYS 19 HB3 CYS 19 9.497 -11.575 -2.959 126 HA PRO 20 HA PRO 20 10.218 -12.528 1.541 127 HB2 PRO 20 HB2 PRO 20 7.754 -13.664 1.453 128 HB3 PRO 20 HB3 PRO 20 8.045 -12.052 2.116 129 HG2 PRO 20 HG2 PRO 20 7.020 -12.831 -0.586 130 HG3 PRO 20 HG3 PRO 20 6.459 -11.543 0.494 131 HD2 PRO 20 HD2 PRO 20 8.070 -11.065 -1.629 132 HD3 PRO 20 HD3 PRO 20 8.147 -10.105 -0.137 133 H ASN 21 H ASN 21 10.180 -14.846 1.937 134 HA ASN 21 HA ASN 21 10.582 -17.022 1.405 135 HB2 ASN 21 HB2 ASN 21 9.433 -16.587 -1.337 136 HB3 ASN 21 HB3 ASN 21 9.374 -18.031 -0.329 137 HD21 ASN 21 HD21 ASN 21 7.251 -16.472 -1.665 138 HD22 ASN 21 HD22 ASN 21 6.128 -16.067 -0.415 139 H TYR 22 H TYR 22 12.321 -14.674 0.530 140 HA TYR 22 HA TYR 22 13.985 -16.186 -1.376 141 HB2 TYR 22 HB2 TYR 22 13.436 -13.232 -1.203 142 HB3 TYR 22 HB3 TYR 22 14.874 -13.850 -2.007 143 HD1 TYR 22 HD1 TYR 22 11.380 -13.147 -2.326 144 HD2 TYR 22 HD2 TYR 22 14.549 -15.485 -3.938 145 HE1 TYR 22 HE1 TYR 22 10.074 -13.490 -4.382 146 HE2 TYR 22 HE2 TYR 22 13.252 -15.832 -5.999 147 HH TYR 22 HH TYR 22 10.329 -15.674 -6.380 148 H LYS 23 H LYS 23 16.311 -14.938 -1.304 149 HA LYS 23 HA LYS 23 17.122 -14.411 1.433 150 HB2 LYS 23 HB2 LYS 23 17.202 -16.906 1.142 151 HB3 LYS 23 HB3 LYS 23 18.409 -16.665 -0.114 152 HG2 LYS 23 HG2 LYS 23 19.731 -17.102 1.703 153 HG3 LYS 23 HG3 LYS 23 19.669 -15.338 1.746 154 HD2 LYS 23 HD2 LYS 23 17.563 -16.816 3.226 155 HD3 LYS 23 HD3 LYS 23 19.196 -16.840 3.896 156 HE2 LYS 23 HE2 LYS 23 19.041 -14.244 3.411 157 HE3 LYS 23 HE3 LYS 23 17.313 -14.565 3.544 158 HZ1 LYS 23 HZ1 LYS 23 18.725 -15.820 5.654 159 HZ2 LYS 23 HZ2 LYS 23 17.485 -14.674 5.736 160 HZ3 LYS 23 HZ3 LYS 23 19.095 -14.170 5.610 161 H CYS 24 H CYS 24 18.997 -13.223 1.587 162 HA CYS 24 HA CYS 24 20.176 -12.380 -0.979 163 HB2 CYS 24 HB2 CYS 24 18.898 -10.679 0.462 164 HB3 CYS 24 HB3 CYS 24 20.263 -10.777 1.570 165 H SER 25 H SER 25 21.940 -13.647 -1.203 166 HA SER 25 HA SER 25 23.674 -14.187 1.060 167 HB2 SER 25 HB2 SER 25 23.147 -15.422 -1.473 168 HB3 SER 25 HB3 SER 25 24.872 -15.080 -1.350 169 HG SER 25 HG SER 25 23.715 -17.112 -0.333 170 H SER 26 H SER 26 25.571 -13.223 1.487 171 HA SER 26 HA SER 26 26.217 -10.769 0.211 172 HB2 SER 26 HB2 SER 26 27.780 -10.481 1.887 173 HB3 SER 26 HB3 SER 26 26.705 -11.649 2.656 174 HG SER 26 HG SER 26 28.678 -12.518 2.914 175 H LYS 27 H LYS 27 27.140 -14.042 -0.326 176 HA LYS 27 HA LYS 27 29.642 -13.836 -1.467 177 HB2 LYS 27 HB2 LYS 27 28.023 -15.888 -1.090 178 HB3 LYS 27 HB3 LYS 27 27.607 -15.592 -2.773 179 HG2 LYS 27 HG2 LYS 27 29.936 -15.864 -3.415 180 HG3 LYS 27 HG3 LYS 27 30.382 -16.116 -1.727 181 HD2 LYS 27 HD2 LYS 27 29.131 -18.150 -1.627 182 HD3 LYS 27 HD3 LYS 27 28.413 -17.850 -3.211 183 HE2 LYS 27 HE2 LYS 27 30.724 -17.954 -4.175 184 HE3 LYS 27 HE3 LYS 27 31.296 -18.472 -2.590 185 HZ1 LYS 27 HZ1 LYS 27 29.266 -20.172 -3.041 186 HZ2 LYS 27 HZ2 LYS 27 30.888 -20.510 -3.378 187 HZ3 LYS 27 HZ3 LYS 27 29.865 -19.958 -4.608 188 H ASP 28 H ASP 28 26.567 -13.812 -3.279 189 HA ASP 28 HA ASP 28 27.942 -12.477 -5.494 190 HB2 ASP 28 HB2 ASP 28 25.599 -14.246 -5.247 191 HB3 ASP 28 HB3 ASP 28 25.403 -12.921 -6.392 192 H LEU 29 H LEU 29 25.914 -11.789 -2.871 193 HA LEU 29 HA LEU 29 24.882 -9.892 -2.159 194 HB2 LEU 29 HB2 LEU 29 26.152 -8.497 -4.501 195 HB3 LEU 29 HB3 LEU 29 25.620 -7.789 -2.978 196 HG LEU 29 HG LEU 29 27.840 -9.803 -3.044 197 HD11 LEU 29 HD11 LEU 29 27.873 -7.099 -4.126 198 HD12 LEU 29 HD12 LEU 29 29.042 -8.406 -4.300 199 HD13 LEU 29 HD13 LEU 29 29.086 -7.368 -2.876 200 HD21 LEU 29 HD21 LEU 29 27.271 -7.488 -1.198 201 HD22 LEU 29 HD22 LEU 29 28.483 -8.750 -0.983 202 HD23 LEU 29 HD23 LEU 29 26.767 -9.152 -0.899 203 H TRP 30 H TRP 30 23.410 -11.606 -3.768 204 HA TRP 30 HA TRP 30 21.562 -9.701 -5.017 205 HB2 TRP 30 HB2 TRP 30 21.160 -11.277 -6.879 206 HB3 TRP 30 HB3 TRP 30 22.820 -10.689 -6.855 207 HD1 TRP 30 HD1 TRP 30 22.516 -13.236 -4.236 208 HE1 TRP 30 HE1 TRP 30 23.420 -15.505 -5.048 209 HE3 TRP 30 HE3 TRP 30 22.795 -12.253 -9.245 210 HZ2 TRP 30 HZ2 TRP 30 24.155 -16.718 -7.489 211 HZ3 TRP 30 HZ3 TRP 30 23.610 -14.020 -10.750 212 HH2 TRP 30 HH2 TRP 30 24.275 -16.206 -9.888 213 H CYS 31 H CYS 31 19.550 -11.287 -5.777 214 HA CYS 31 HA CYS 31 18.656 -12.446 -3.240 215 HB2 CYS 31 HB2 CYS 31 16.951 -11.841 -5.656 216 HB3 CYS 31 HB3 CYS 31 16.420 -12.104 -3.997 217 H LYS 32 H LYS 32 17.865 -14.516 -3.068 218 HA LYS 32 HA LYS 32 17.936 -16.219 -5.454 219 HB2 LYS 32 HB2 LYS 32 19.317 -16.867 -2.843 220 HB3 LYS 32 HB3 LYS 32 19.139 -17.975 -4.196 221 HG2 LYS 32 HG2 LYS 32 20.324 -15.999 -5.497 222 HG3 LYS 32 HG3 LYS 32 20.929 -15.632 -3.879 223 HD2 LYS 32 HD2 LYS 32 21.071 -18.444 -4.854 224 HD3 LYS 32 HD3 LYS 32 22.226 -17.269 -5.489 225 HE2 LYS 32 HE2 LYS 32 22.928 -16.721 -3.219 226 HE3 LYS 32 HE3 LYS 32 21.750 -17.860 -2.568 227 HZ1 LYS 32 HZ1 LYS 32 24.229 -18.551 -2.909 228 HZ2 LYS 32 HZ2 LYS 32 23.730 -18.837 -4.499 229 HZ3 LYS 32 HZ3 LYS 32 22.982 -19.651 -3.219 230 H TYR 33 H TYR 33 16.312 -17.659 -5.550 231 HA TYR 33 HA TYR 33 14.221 -17.526 -3.612 232 HB2 TYR 33 HB2 TYR 33 13.041 -19.084 -5.047 233 HB3 TYR 33 HB3 TYR 33 13.812 -17.850 -6.038 234 HD1 TYR 33 HD1 TYR 33 15.776 -18.411 -7.410 235 HD2 TYR 33 HD2 TYR 33 13.709 -21.387 -5.181 236 HE1 TYR 33 HE1 TYR 33 16.881 -20.163 -8.737 237 HE2 TYR 33 HE2 TYR 33 14.809 -23.147 -6.501 238 HH TYR 33 HH TYR 33 17.400 -22.917 -8.078 239 H LYS 34 H LYS 34 13.854 -18.776 -1.898 240 HA LYS 34 HA LYS 34 15.359 -21.297 -1.654 241 HB2 LYS 34 HB2 LYS 34 15.134 -19.007 0.211 242 HB3 LYS 34 HB3 LYS 34 15.021 -20.607 0.934 243 HG2 LYS 34 HG2 LYS 34 17.275 -19.730 -0.856 244 HG3 LYS 34 HG3 LYS 34 17.313 -19.638 0.906 245 HD2 LYS 34 HD2 LYS 34 16.696 -22.159 0.792 246 HD3 LYS 34 HD3 LYS 34 17.288 -22.051 -0.868 247 HE2 LYS 34 HE2 LYS 34 18.954 -20.974 1.364 248 HE3 LYS 34 HE3 LYS 34 18.905 -22.714 1.081 249 HZ1 LYS 34 HZ1 LYS 34 19.581 -22.289 -1.224 250 HZ2 LYS 34 HZ2 LYS 34 20.733 -21.742 -0.112 251 HZ3 LYS 34 HZ3 LYS 34 19.711 -20.637 -0.882 252 H ILE 35 H ILE 35 14.180 -23.050 -1.215 253 HA ILE 35 HA ILE 35 11.554 -22.746 0.041 254 HB ILE 35 HB ILE 35 10.651 -24.454 -1.619 255 HG12 ILE 35 HG12 ILE 35 13.044 -23.478 -3.195 256 HG13 ILE 35 HG13 ILE 35 12.800 -25.115 -2.596 257 HG21 ILE 35 HG21 ILE 35 10.571 -21.730 -1.580 258 HG22 ILE 35 HG22 ILE 35 11.130 -22.051 -3.221 259 HG23 ILE 35 HG23 ILE 35 9.616 -22.754 -2.652 260 HD11 ILE 35 HD11 ILE 35 11.749 -23.813 -4.977 261 HD12 ILE 35 HD12 ILE 35 11.971 -25.526 -4.619 262 HD13 ILE 35 HD13 ILE 35 10.529 -24.685 -4.050 263 H TRP 36 H TRP 36 11.378 -24.121 1.673 264 HA TRP 36 HA TRP 36 13.177 -26.421 1.797 265 HB2 TRP 36 HB2 TRP 36 12.680 -24.627 3.694 266 HB3 TRP 36 HB3 TRP 36 11.345 -25.721 4.045 267 HD1 TRP 36 HD1 TRP 36 15.201 -25.930 3.628 268 HE1 TRP 36 HE1 TRP 36 16.075 -27.714 5.266 269 HE3 TRP 36 HE3 TRP 36 10.739 -27.528 5.544 270 HZ2 TRP 36 HZ2 TRP 36 15.012 -29.556 7.121 271 HZ3 TRP 36 HZ3 TRP 36 10.754 -29.305 7.245 272 HH2 TRP 36 HH2 TRP 36 12.848 -30.298 8.016 Start of MODEL 10 1 H SER 1 H SER 1 2.004 -1.528 -7.277 2 HA SER 1 HA SER 1 0.866 -1.101 -4.666 3 HB2 SER 1 HB2 SER 1 -0.292 -2.337 -6.539 4 HB3 SER 1 HB3 SER 1 0.853 -3.655 -6.286 5 HG SER 1 HG SER 1 -1.296 -2.841 -4.737 6 H GLU 2 H GLU 2 3.257 -3.326 -6.068 7 HA GLU 2 HA GLU 2 4.075 -4.079 -3.347 8 HB2 GLU 2 HB2 GLU 2 5.049 -6.049 -4.279 9 HB3 GLU 2 HB3 GLU 2 3.443 -5.885 -4.975 10 HG2 GLU 2 HG2 GLU 2 4.761 -4.639 -6.880 11 HG3 GLU 2 HG3 GLU 2 6.106 -5.592 -6.255 12 H ASP 3 H ASP 3 6.157 -3.813 -2.642 13 HA ASP 3 HA ASP 3 8.036 -2.477 -4.466 14 HB2 ASP 3 HB2 ASP 3 8.765 -1.058 -2.533 15 HB3 ASP 3 HB3 ASP 3 7.130 -0.722 -3.095 16 H CYS 4 H CYS 4 9.160 -4.422 -4.740 17 HA CYS 4 HA CYS 4 11.068 -4.985 -2.651 18 HB2 CYS 4 HB2 CYS 4 10.587 -7.401 -2.556 19 HB3 CYS 4 HB3 CYS 4 9.236 -6.442 -1.962 20 H LEU 5 H LEU 5 12.805 -6.384 -3.378 21 HA LEU 5 HA LEU 5 13.372 -5.971 -6.178 22 HB2 LEU 5 HB2 LEU 5 14.953 -7.146 -3.906 23 HB3 LEU 5 HB3 LEU 5 15.556 -7.085 -5.561 24 HG LEU 5 HG LEU 5 14.749 -4.631 -4.013 25 HD11 LEU 5 HD11 LEU 5 16.514 -5.282 -2.716 26 HD12 LEU 5 HD12 LEU 5 17.371 -4.416 -3.990 27 HD13 LEU 5 HD13 LEU 5 17.291 -6.177 -4.023 28 HD21 LEU 5 HD21 LEU 5 16.775 -4.383 -6.067 29 HD22 LEU 5 HD22 LEU 5 15.270 -3.490 -5.852 30 HD23 LEU 5 HD23 LEU 5 15.265 -5.035 -6.705 31 H GLY 6 H GLY 6 13.998 -7.639 -7.649 32 HA2 GLY 6 HA2 GLY 6 12.453 -10.084 -7.243 33 HA3 GLY 6 HA3 GLY 6 13.130 -9.523 -8.764 34 H ALA 7 H ALA 7 13.665 -11.924 -8.752 35 HA ALA 7 HA ALA 7 15.743 -12.870 -7.056 36 HB1 ALA 7 HB1 ALA 7 14.933 -14.764 -7.890 37 HB2 ALA 7 HB2 ALA 7 14.123 -13.908 -9.204 38 HB3 ALA 7 HB3 ALA 7 15.807 -14.406 -9.381 39 H PHE 8 H PHE 8 17.925 -12.990 -7.367 40 HA PHE 8 HA PHE 8 19.989 -12.432 -8.140 41 HB2 PHE 8 HB2 PHE 8 18.717 -12.222 -10.872 42 HB3 PHE 8 HB3 PHE 8 20.407 -12.549 -10.498 43 HD1 PHE 8 HD1 PHE 8 17.798 -14.058 -11.893 44 HD2 PHE 8 HD2 PHE 8 20.360 -14.626 -8.542 45 HE1 PHE 8 HE1 PHE 8 17.339 -16.474 -11.957 46 HE2 PHE 8 HE2 PHE 8 19.906 -17.044 -8.601 47 HZ PHE 8 HZ PHE 8 18.393 -17.970 -10.308 48 H SER 9 H SER 9 17.941 -10.366 -7.419 49 HA SER 9 HA SER 9 18.731 -8.081 -9.039 50 HB2 SER 9 HB2 SER 9 16.374 -8.315 -8.338 51 HB3 SER 9 HB3 SER 9 16.875 -8.224 -6.650 52 HG SER 9 HG SER 9 17.707 -6.122 -7.124 53 H ARG 10 H ARG 10 19.701 -6.196 -8.160 54 HA ARG 10 HA ARG 10 21.893 -6.669 -6.487 55 HB2 ARG 10 HB2 ARG 10 20.576 -4.232 -7.595 56 HB3 ARG 10 HB3 ARG 10 21.759 -4.026 -6.310 57 HG2 ARG 10 HG2 ARG 10 23.505 -4.746 -7.613 58 HG3 ARG 10 HG3 ARG 10 22.462 -5.698 -8.671 59 HD2 ARG 10 HD2 ARG 10 23.328 -3.721 -9.817 60 HD3 ARG 10 HD3 ARG 10 21.574 -3.656 -9.656 61 HE ARG 10 HE ARG 10 22.746 -2.317 -7.483 62 HH11 ARG 10 HH11 ARG 10 22.311 -1.984 -10.922 63 HH12 ARG 10 HH12 ARG 10 22.349 -0.253 -10.890 64 HH21 ARG 10 HH21 ARG 10 22.797 -0.037 -7.429 65 HH22 ARG 10 HH22 ARG 10 22.626 0.855 -8.905 66 H CYS 11 H CYS 11 22.117 -6.745 -4.349 67 HA CYS 11 HA CYS 11 20.571 -5.170 -2.547 68 HB2 CYS 11 HB2 CYS 11 19.299 -6.864 -1.451 69 HB3 CYS 11 HB3 CYS 11 18.957 -7.007 -3.172 70 H SER 12 H SER 12 21.247 -5.418 -0.336 71 HA SER 12 HA SER 12 23.900 -6.676 -0.125 72 HB2 SER 12 HB2 SER 12 23.882 -5.011 1.981 73 HB3 SER 12 HB3 SER 12 24.387 -4.498 0.370 74 HG SER 12 HG SER 12 22.283 -3.700 0.038 75 HA PRO 13 HA PRO 13 22.585 -9.407 3.044 76 HB2 PRO 13 HB2 PRO 13 24.703 -9.394 4.740 77 HB3 PRO 13 HB3 PRO 13 24.749 -10.170 3.153 78 HG2 PRO 13 HG2 PRO 13 25.789 -7.488 3.982 79 HG3 PRO 13 HG3 PRO 13 26.547 -8.708 2.943 80 HD2 PRO 13 HD2 PRO 13 25.286 -6.528 1.948 81 HD3 PRO 13 HD3 PRO 13 25.312 -8.086 1.098 82 H LYS 14 H LYS 14 23.785 -6.269 4.112 83 HA LYS 14 HA LYS 14 22.492 -6.495 6.694 84 HB2 LYS 14 HB2 LYS 14 24.204 -4.436 5.350 85 HB3 LYS 14 HB3 LYS 14 23.258 -3.991 6.765 86 HG2 LYS 14 HG2 LYS 14 25.345 -4.557 7.623 87 HG3 LYS 14 HG3 LYS 14 24.359 -5.994 7.909 88 HD2 LYS 14 HD2 LYS 14 25.450 -7.226 6.304 89 HD3 LYS 14 HD3 LYS 14 25.921 -5.799 5.376 90 HE2 LYS 14 HE2 LYS 14 27.937 -6.398 6.293 91 HE3 LYS 14 HE3 LYS 14 27.347 -5.269 7.511 92 HZ1 LYS 14 HZ1 LYS 14 26.593 -7.116 8.840 93 HZ2 LYS 14 HZ2 LYS 14 28.234 -7.314 8.485 94 HZ3 LYS 14 HZ3 LYS 14 27.074 -8.223 7.654 95 H ASN 15 H ASN 15 21.999 -4.824 3.634 96 HA ASN 15 HA ASN 15 19.436 -3.797 4.657 97 HB2 ASN 15 HB2 ASN 15 20.759 -2.814 2.142 98 HB3 ASN 15 HB3 ASN 15 19.582 -1.994 3.162 99 HD21 ASN 15 HD21 ASN 15 20.336 -1.479 5.388 100 HD22 ASN 15 HD22 ASN 15 21.971 -0.948 5.572 101 H ASP 16 H ASP 16 19.710 -6.489 3.835 102 HA ASP 16 HA ASP 16 18.996 -7.002 1.186 103 HB2 ASP 16 HB2 ASP 16 19.620 -8.902 2.372 104 HB3 ASP 16 HB3 ASP 16 18.625 -8.483 3.764 105 H LYS 17 H LYS 17 17.371 -5.980 0.196 106 HA LYS 17 HA LYS 17 14.741 -5.973 1.527 107 HB2 LYS 17 HB2 LYS 17 15.725 -3.704 1.296 108 HB3 LYS 17 HB3 LYS 17 15.786 -3.934 -0.447 109 HG2 LYS 17 HG2 LYS 17 13.799 -2.920 -0.449 110 HG3 LYS 17 HG3 LYS 17 13.171 -4.479 0.089 111 HD2 LYS 17 HD2 LYS 17 12.464 -3.518 1.964 112 HD3 LYS 17 HD3 LYS 17 14.137 -3.137 2.381 113 HE2 LYS 17 HE2 LYS 17 12.786 -1.123 2.405 114 HE3 LYS 17 HE3 LYS 17 13.965 -1.051 1.096 115 HZ1 LYS 17 HZ1 LYS 17 11.923 -0.301 0.223 116 HZ2 LYS 17 HZ2 LYS 17 11.061 -1.597 0.885 117 HZ3 LYS 17 HZ3 LYS 17 12.139 -1.863 -0.391 118 H CYS 18 H CYS 18 14.740 -8.161 0.426 119 HA CYS 18 HA CYS 18 13.795 -7.864 -2.351 120 HB2 CYS 18 HB2 CYS 18 15.169 -10.253 -1.099 121 HB3 CYS 18 HB3 CYS 18 14.550 -10.179 -2.746 122 H CYS 19 H CYS 19 12.129 -9.380 -3.020 123 HA CYS 19 HA CYS 19 9.900 -9.414 -1.432 124 HB2 CYS 19 HB2 CYS 19 10.762 -10.871 -3.847 125 HB3 CYS 19 HB3 CYS 19 9.472 -11.646 -2.933 126 HA PRO 20 HA PRO 20 10.208 -12.603 1.564 127 HB2 PRO 20 HB2 PRO 20 7.761 -13.776 1.473 128 HB3 PRO 20 HB3 PRO 20 8.028 -12.162 2.143 129 HG2 PRO 20 HG2 PRO 20 7.013 -12.947 -0.562 130 HG3 PRO 20 HG3 PRO 20 6.433 -11.671 0.524 131 HD2 PRO 20 HD2 PRO 20 8.034 -11.161 -1.598 132 HD3 PRO 20 HD3 PRO 20 8.097 -10.206 -0.103 133 H ASN 21 H ASN 21 10.198 -14.925 1.951 134 HA ASN 21 HA ASN 21 10.630 -17.093 1.411 135 HB2 ASN 21 HB2 ASN 21 8.442 -16.591 -0.011 136 HB3 ASN 21 HB3 ASN 21 9.561 -16.780 -1.358 137 HD21 ASN 21 HD21 ASN 21 7.470 -18.489 -1.077 138 HD22 ASN 21 HD22 ASN 21 8.040 -20.055 -0.624 139 H TYR 22 H TYR 22 12.327 -14.705 0.532 140 HA TYR 22 HA TYR 22 14.021 -16.191 -1.369 141 HB2 TYR 22 HB2 TYR 22 13.431 -13.245 -1.185 142 HB3 TYR 22 HB3 TYR 22 14.877 -13.842 -1.990 143 HD1 TYR 22 HD1 TYR 22 11.374 -13.186 -2.309 144 HD2 TYR 22 HD2 TYR 22 14.577 -15.471 -3.929 145 HE1 TYR 22 HE1 TYR 22 10.074 -13.539 -4.368 146 HE2 TYR 22 HE2 TYR 22 13.286 -15.829 -5.991 147 HH TYR 22 HH TYR 22 10.024 -15.285 -6.236 148 H LYS 23 H LYS 23 16.330 -14.910 -1.287 149 HA LYS 23 HA LYS 23 17.132 -14.355 1.441 150 HB2 LYS 23 HB2 LYS 23 17.195 -16.927 0.921 151 HB3 LYS 23 HB3 LYS 23 18.662 -16.516 0.043 152 HG2 LYS 23 HG2 LYS 23 19.414 -17.139 2.153 153 HG3 LYS 23 HG3 LYS 23 19.419 -15.374 2.202 154 HD2 LYS 23 HD2 LYS 23 17.261 -15.398 3.354 155 HD3 LYS 23 HD3 LYS 23 17.244 -17.162 3.293 156 HE2 LYS 23 HE2 LYS 23 18.984 -17.352 4.827 157 HE3 LYS 23 HE3 LYS 23 19.531 -15.698 4.558 158 HZ1 LYS 23 HZ1 LYS 23 17.058 -15.293 5.486 159 HZ2 LYS 23 HZ2 LYS 23 18.438 -15.316 6.462 160 HZ3 LYS 23 HZ3 LYS 23 17.474 -16.699 6.331 161 H CYS 24 H CYS 24 19.008 -13.167 1.581 162 HA CYS 24 HA CYS 24 20.180 -12.351 -0.995 163 HB2 CYS 24 HB2 CYS 24 18.937 -10.650 0.501 164 HB3 CYS 24 HB3 CYS 24 20.352 -10.744 1.543 165 H SER 25 H SER 25 21.906 -13.682 -1.225 166 HA SER 25 HA SER 25 23.668 -14.227 1.009 167 HB2 SER 25 HB2 SER 25 23.092 -15.456 -1.519 168 HB3 SER 25 HB3 SER 25 24.825 -15.149 -1.407 169 HG SER 25 HG SER 25 24.560 -17.074 -0.427 170 H SER 26 H SER 26 25.582 -13.286 1.409 171 HA SER 26 HA SER 26 26.249 -10.849 0.113 172 HB2 SER 26 HB2 SER 26 27.894 -10.600 1.741 173 HB3 SER 26 HB3 SER 26 26.739 -11.654 2.555 174 HG SER 26 HG SER 26 28.113 -13.279 2.439 175 H LYS 27 H LYS 27 27.117 -14.138 -0.417 176 HA LYS 27 HA LYS 27 29.610 -13.977 -1.586 177 HB2 LYS 27 HB2 LYS 27 28.291 -16.067 -1.154 178 HB3 LYS 27 HB3 LYS 27 27.339 -15.701 -2.587 179 HG2 LYS 27 HG2 LYS 27 28.900 -17.213 -3.370 180 HG3 LYS 27 HG3 LYS 27 29.607 -15.657 -3.811 181 HD2 LYS 27 HD2 LYS 27 30.942 -15.759 -1.698 182 HD3 LYS 27 HD3 LYS 27 30.339 -17.401 -1.462 183 HE2 LYS 27 HE2 LYS 27 31.518 -18.232 -3.269 184 HE3 LYS 27 HE3 LYS 27 31.645 -16.654 -4.043 185 HZ1 LYS 27 HZ1 LYS 27 33.763 -17.001 -3.245 186 HZ2 LYS 27 HZ2 LYS 27 33.237 -17.763 -1.829 187 HZ3 LYS 27 HZ3 LYS 27 33.080 -16.086 -1.996 188 H ASP 28 H ASP 28 26.516 -13.907 -3.367 189 HA ASP 28 HA ASP 28 27.890 -12.600 -5.598 190 HB2 ASP 28 HB2 ASP 28 25.515 -14.325 -5.325 191 HB3 ASP 28 HB3 ASP 28 25.347 -13.009 -6.484 192 H LEU 29 H LEU 29 25.898 -11.877 -2.958 193 HA LEU 29 HA LEU 29 24.898 -9.963 -2.243 194 HB2 LEU 29 HB2 LEU 29 26.169 -8.594 -4.600 195 HB3 LEU 29 HB3 LEU 29 25.655 -7.871 -3.076 196 HG LEU 29 HG LEU 29 27.843 -9.918 -3.136 197 HD11 LEU 29 HD11 LEU 29 29.000 -7.361 -3.014 198 HD12 LEU 29 HD12 LEU 29 27.921 -7.356 -4.408 199 HD13 LEU 29 HD13 LEU 29 29.187 -8.576 -4.278 200 HD21 LEU 29 HD21 LEU 29 28.446 -9.018 -1.063 201 HD22 LEU 29 HD22 LEU 29 26.683 -9.069 -1.020 202 HD23 LEU 29 HD23 LEU 29 27.516 -7.544 -1.330 203 H TRP 30 H TRP 30 23.384 -11.658 -3.826 204 HA TRP 30 HA TRP 30 21.555 -9.733 -5.070 205 HB2 TRP 30 HB2 TRP 30 21.108 -11.315 -6.917 206 HB3 TRP 30 HB3 TRP 30 22.777 -10.753 -6.914 207 HD1 TRP 30 HD1 TRP 30 22.456 -13.278 -4.275 208 HE1 TRP 30 HE1 TRP 30 23.320 -15.565 -5.080 209 HE3 TRP 30 HE3 TRP 30 22.713 -12.329 -9.291 210 HZ2 TRP 30 HZ2 TRP 30 24.019 -16.803 -7.518 211 HZ3 TRP 30 HZ3 TRP 30 23.490 -14.118 -10.793 212 HH2 TRP 30 HH2 TRP 30 24.129 -16.307 -9.922 213 H CYS 31 H CYS 31 19.511 -11.291 -5.802 214 HA CYS 31 HA CYS 31 18.627 -12.428 -3.249 215 HB2 CYS 31 HB2 CYS 31 16.905 -11.774 -5.640 216 HB3 CYS 31 HB3 CYS 31 16.386 -12.047 -3.981 217 H LYS 32 H LYS 32 17.909 -14.500 -3.043 218 HA LYS 32 HA LYS 32 17.873 -16.194 -5.441 219 HB2 LYS 32 HB2 LYS 32 19.281 -16.863 -2.849 220 HB3 LYS 32 HB3 LYS 32 19.066 -17.970 -4.198 221 HG2 LYS 32 HG2 LYS 32 20.276 -15.511 -5.080 222 HG3 LYS 32 HG3 LYS 32 21.196 -16.234 -3.759 223 HD2 LYS 32 HD2 LYS 32 20.326 -17.694 -6.251 224 HD3 LYS 32 HD3 LYS 32 21.930 -17.004 -5.997 225 HE2 LYS 32 HE2 LYS 32 21.098 -18.695 -3.790 226 HE3 LYS 32 HE3 LYS 32 21.102 -19.562 -5.325 227 HZ1 LYS 32 HZ1 LYS 32 23.309 -18.619 -3.754 228 HZ2 LYS 32 HZ2 LYS 32 23.428 -18.166 -5.380 229 HZ3 LYS 32 HZ3 LYS 32 23.273 -19.799 -4.967 230 H TYR 33 H TYR 33 16.506 -17.995 -5.336 231 HA TYR 33 HA TYR 33 14.291 -17.687 -3.515 232 HB2 TYR 33 HB2 TYR 33 13.201 -19.393 -4.839 233 HB3 TYR 33 HB3 TYR 33 13.975 -18.240 -5.921 234 HD1 TYR 33 HD1 TYR 33 15.982 -18.876 -7.185 235 HD2 TYR 33 HD2 TYR 33 13.940 -21.680 -4.720 236 HE1 TYR 33 HE1 TYR 33 17.171 -20.717 -8.304 237 HE2 TYR 33 HE2 TYR 33 15.123 -23.527 -5.831 238 HH TYR 33 HH TYR 33 16.927 -24.020 -7.166 239 H LYS 34 H LYS 34 13.884 -18.832 -1.732 240 HA LYS 34 HA LYS 34 15.451 -21.275 -1.243 241 HB2 LYS 34 HB2 LYS 34 15.166 -18.845 0.452 242 HB3 LYS 34 HB3 LYS 34 15.191 -20.404 1.266 243 HG2 LYS 34 HG2 LYS 34 17.309 -19.551 -0.686 244 HG3 LYS 34 HG3 LYS 34 17.406 -19.228 1.047 245 HD2 LYS 34 HD2 LYS 34 16.928 -21.805 1.228 246 HD3 LYS 34 HD3 LYS 34 17.563 -21.821 -0.419 247 HE2 LYS 34 HE2 LYS 34 19.477 -22.164 0.815 248 HE3 LYS 34 HE3 LYS 34 19.499 -20.413 0.614 249 HZ1 LYS 34 HZ1 LYS 34 18.072 -20.725 2.879 250 HZ2 LYS 34 HZ2 LYS 34 19.729 -20.389 2.822 251 HZ3 LYS 34 HZ3 LYS 34 19.196 -21.983 3.010 252 H ILE 35 H ILE 35 14.402 -22.936 -0.204 253 HA ILE 35 HA ILE 35 11.633 -22.487 0.651 254 HB ILE 35 HB ILE 35 11.024 -24.689 -0.450 255 HG12 ILE 35 HG12 ILE 35 13.571 -24.113 -1.980 256 HG13 ILE 35 HG13 ILE 35 13.310 -25.469 -0.889 257 HG21 ILE 35 HG21 ILE 35 10.347 -23.641 -2.432 258 HG22 ILE 35 HG22 ILE 35 10.479 -22.331 -1.259 259 HG23 ILE 35 HG23 ILE 35 11.753 -22.576 -2.453 260 HD11 ILE 35 HD11 ILE 35 11.232 -25.694 -2.670 261 HD12 ILE 35 HD12 ILE 35 12.575 -25.149 -3.675 262 HD13 ILE 35 HD13 ILE 35 12.738 -26.611 -2.703 263 H TRP 36 H TRP 36 11.239 -23.374 2.567 264 HA TRP 36 HA TRP 36 12.108 -25.930 3.369 265 HB2 TRP 36 HB2 TRP 36 14.274 -24.588 3.501 266 HB3 TRP 36 HB3 TRP 36 13.533 -23.716 4.839 267 HD1 TRP 36 HD1 TRP 36 12.130 -26.704 5.754 268 HE1 TRP 36 HE1 TRP 36 13.631 -28.204 7.211 269 HE3 TRP 36 HE3 TRP 36 16.659 -24.572 4.716 270 HZ2 TRP 36 HZ2 TRP 36 16.372 -28.451 7.837 271 HZ3 TRP 36 HZ3 TRP 36 18.672 -25.500 5.785 272 HH2 TRP 36 HH2 TRP 36 18.530 -27.399 7.314 Start of MODEL 11 1 H SER 1 H SER 1 1.862 0.728 -0.105 2 HA SER 1 HA SER 1 3.053 0.959 -2.760 3 HB2 SER 1 HB2 SER 1 4.096 2.186 -0.207 4 HB3 SER 1 HB3 SER 1 4.412 2.694 -1.866 5 HG SER 1 HG SER 1 2.461 3.485 -0.234 6 H GLU 2 H GLU 2 3.219 -1.588 -2.166 7 HA GLU 2 HA GLU 2 5.695 -2.169 -0.758 8 HB2 GLU 2 HB2 GLU 2 3.692 -3.622 -0.494 9 HB3 GLU 2 HB3 GLU 2 3.817 -4.052 -2.194 10 HG2 GLU 2 HG2 GLU 2 5.686 -5.343 -1.876 11 HG3 GLU 2 HG3 GLU 2 6.169 -4.475 -0.419 12 H ASP 3 H ASP 3 7.568 -2.005 -1.778 13 HA ASP 3 HA ASP 3 7.703 -2.807 -4.609 14 HB2 ASP 3 HB2 ASP 3 9.376 -0.620 -3.367 15 HB3 ASP 3 HB3 ASP 3 9.264 -1.047 -5.072 16 H CYS 4 H CYS 4 8.404 -4.885 -4.035 17 HA CYS 4 HA CYS 4 10.907 -5.104 -2.541 18 HB2 CYS 4 HB2 CYS 4 10.460 -7.466 -2.416 19 HB3 CYS 4 HB3 CYS 4 8.981 -6.606 -2.003 20 H LEU 5 H LEU 5 12.548 -6.670 -3.393 21 HA LEU 5 HA LEU 5 13.059 -6.052 -6.197 22 HB2 LEU 5 HB2 LEU 5 14.737 -7.068 -3.933 23 HB3 LEU 5 HB3 LEU 5 15.296 -7.196 -5.599 24 HG LEU 5 HG LEU 5 14.563 -4.598 -4.253 25 HD11 LEU 5 HD11 LEU 5 17.166 -6.060 -4.482 26 HD12 LEU 5 HD12 LEU 5 16.449 -5.271 -3.077 27 HD13 LEU 5 HD13 LEU 5 17.117 -4.299 -4.388 28 HD21 LEU 5 HD21 LEU 5 14.855 -5.247 -6.942 29 HD22 LEU 5 HD22 LEU 5 16.385 -4.492 -6.492 30 HD23 LEU 5 HD23 LEU 5 14.867 -3.632 -6.233 31 H GLY 6 H GLY 6 13.883 -7.726 -7.646 32 HA2 GLY 6 HA2 GLY 6 12.372 -10.208 -7.285 33 HA3 GLY 6 HA3 GLY 6 13.052 -9.619 -8.794 34 H ALA 7 H ALA 7 13.619 -12.043 -8.711 35 HA ALA 7 HA ALA 7 15.728 -12.899 -7.016 36 HB1 ALA 7 HB1 ALA 7 15.904 -14.548 -9.179 37 HB2 ALA 7 HB2 ALA 7 14.802 -14.775 -7.821 38 HB3 ALA 7 HB3 ALA 7 14.236 -13.984 -9.291 39 H PHE 8 H PHE 8 17.917 -13.008 -7.350 40 HA PHE 8 HA PHE 8 19.966 -12.412 -8.134 41 HB2 PHE 8 HB2 PHE 8 18.676 -12.215 -10.858 42 HB3 PHE 8 HB3 PHE 8 20.371 -12.523 -10.493 43 HD1 PHE 8 HD1 PHE 8 17.843 -14.069 -11.934 44 HD2 PHE 8 HD2 PHE 8 20.285 -14.596 -8.488 45 HE1 PHE 8 HE1 PHE 8 17.410 -16.490 -12.002 46 HE2 PHE 8 HE2 PHE 8 19.856 -17.018 -8.550 47 HZ PHE 8 HZ PHE 8 18.418 -17.968 -10.309 48 H SER 9 H SER 9 17.940 -10.381 -7.353 49 HA SER 9 HA SER 9 18.658 -8.079 -8.989 50 HB2 SER 9 HB2 SER 9 16.302 -8.468 -8.152 51 HB3 SER 9 HB3 SER 9 16.899 -8.118 -6.529 52 HG SER 9 HG SER 9 16.038 -6.376 -8.206 53 H ARG 10 H ARG 10 19.633 -6.196 -8.131 54 HA ARG 10 HA ARG 10 21.841 -6.647 -6.473 55 HB2 ARG 10 HB2 ARG 10 21.458 -4.769 -8.178 56 HB3 ARG 10 HB3 ARG 10 20.592 -3.940 -6.892 57 HG2 ARG 10 HG2 ARG 10 22.541 -3.797 -5.550 58 HG3 ARG 10 HG3 ARG 10 23.426 -4.896 -6.611 59 HD2 ARG 10 HD2 ARG 10 22.927 -3.101 -8.430 60 HD3 ARG 10 HD3 ARG 10 22.659 -2.039 -7.048 61 HE ARG 10 HE ARG 10 25.165 -2.933 -8.045 62 HH11 ARG 10 HH11 ARG 10 23.477 -2.122 -5.111 63 HH12 ARG 10 HH12 ARG 10 24.915 -1.675 -4.253 64 HH21 ARG 10 HH21 ARG 10 27.065 -2.348 -6.926 65 HH22 ARG 10 HH22 ARG 10 26.955 -1.803 -5.288 66 H CYS 11 H CYS 11 22.022 -6.814 -4.344 67 HA CYS 11 HA CYS 11 20.494 -5.201 -2.536 68 HB2 CYS 11 HB2 CYS 11 19.250 -6.909 -1.426 69 HB3 CYS 11 HB3 CYS 11 18.901 -7.062 -3.145 70 H SER 12 H SER 12 21.194 -5.418 -0.335 71 HA SER 12 HA SER 12 23.861 -6.647 -0.132 72 HB2 SER 12 HB2 SER 12 24.458 -4.574 0.509 73 HB3 SER 12 HB3 SER 12 22.779 -4.070 0.706 74 HG SER 12 HG SER 12 23.785 -4.010 2.703 75 HA PRO 13 HA PRO 13 22.597 -9.377 3.060 76 HB2 PRO 13 HB2 PRO 13 24.730 -9.334 4.738 77 HB3 PRO 13 HB3 PRO 13 24.769 -10.117 3.155 78 HG2 PRO 13 HG2 PRO 13 25.791 -7.421 3.961 79 HG3 PRO 13 HG3 PRO 13 26.551 -8.641 2.922 80 HD2 PRO 13 HD2 PRO 13 25.262 -6.477 1.927 81 HD3 PRO 13 HD3 PRO 13 25.295 -8.040 1.085 82 H LYS 14 H LYS 14 23.775 -6.220 4.100 83 HA LYS 14 HA LYS 14 22.508 -6.445 6.696 84 HB2 LYS 14 HB2 LYS 14 24.709 -5.162 6.028 85 HB3 LYS 14 HB3 LYS 14 23.587 -3.871 5.621 86 HG2 LYS 14 HG2 LYS 14 24.402 -3.545 7.854 87 HG3 LYS 14 HG3 LYS 14 22.690 -3.969 7.917 88 HD2 LYS 14 HD2 LYS 14 23.114 -6.086 8.763 89 HD3 LYS 14 HD3 LYS 14 24.772 -6.105 8.156 90 HE2 LYS 14 HE2 LYS 14 25.374 -4.389 9.814 91 HE3 LYS 14 HE3 LYS 14 23.724 -4.425 10.433 92 HZ1 LYS 14 HZ1 LYS 14 24.361 -6.054 11.769 93 HZ2 LYS 14 HZ2 LYS 14 25.888 -6.138 11.049 94 HZ3 LYS 14 HZ3 LYS 14 24.606 -7.046 10.420 95 H ASN 15 H ASN 15 21.970 -4.795 3.633 96 HA ASN 15 HA ASN 15 19.408 -3.784 4.674 97 HB2 ASN 15 HB2 ASN 15 21.085 -2.109 3.790 98 HB3 ASN 15 HB3 ASN 15 20.849 -2.825 2.197 99 HD21 ASN 15 HD21 ASN 15 18.937 -1.559 4.905 100 HD22 ASN 15 HD22 ASN 15 17.784 -0.727 3.923 101 H ASP 16 H ASP 16 19.677 -6.479 3.887 102 HA ASP 16 HA ASP 16 18.952 -7.034 1.250 103 HB2 ASP 16 HB2 ASP 16 19.584 -8.913 2.462 104 HB3 ASP 16 HB3 ASP 16 18.594 -8.475 3.851 105 H LYS 17 H LYS 17 17.310 -6.071 0.237 106 HA LYS 17 HA LYS 17 14.685 -6.054 1.575 107 HB2 LYS 17 HB2 LYS 17 15.928 -3.964 -0.210 108 HB3 LYS 17 HB3 LYS 17 14.205 -4.013 0.135 109 HG2 LYS 17 HG2 LYS 17 14.571 -3.607 2.447 110 HG3 LYS 17 HG3 LYS 17 16.311 -3.840 2.273 111 HD2 LYS 17 HD2 LYS 17 16.583 -1.813 1.132 112 HD3 LYS 17 HD3 LYS 17 14.863 -1.692 0.759 113 HE2 LYS 17 HE2 LYS 17 15.868 -1.638 3.585 114 HE3 LYS 17 HE3 LYS 17 15.811 -0.177 2.601 115 HZ1 LYS 17 HZ1 LYS 17 13.769 -1.173 4.093 116 HZ2 LYS 17 HZ2 LYS 17 13.363 -1.662 2.525 117 HZ3 LYS 17 HZ3 LYS 17 13.620 -0.024 2.859 118 H CYS 18 H CYS 18 14.706 -8.237 0.461 119 HA CYS 18 HA CYS 18 13.760 -7.931 -2.314 120 HB2 CYS 18 HB2 CYS 18 15.159 -10.313 -1.078 121 HB3 CYS 18 HB3 CYS 18 14.538 -10.236 -2.724 122 H CYS 19 H CYS 19 12.110 -9.462 -2.994 123 HA CYS 19 HA CYS 19 9.880 -9.528 -1.408 124 HB2 CYS 19 HB2 CYS 19 10.754 -10.917 -3.846 125 HB3 CYS 19 HB3 CYS 19 9.521 -11.781 -2.931 126 HA PRO 20 HA PRO 20 10.220 -12.728 1.573 127 HB2 PRO 20 HB2 PRO 20 7.786 -13.926 1.476 128 HB3 PRO 20 HB3 PRO 20 8.036 -12.312 2.153 129 HG2 PRO 20 HG2 PRO 20 7.030 -13.094 -0.555 130 HG3 PRO 20 HG3 PRO 20 6.436 -11.829 0.537 131 HD2 PRO 20 HD2 PRO 20 8.033 -11.293 -1.583 132 HD3 PRO 20 HD3 PRO 20 8.087 -10.345 -0.083 133 H ASN 21 H ASN 21 10.245 -15.049 1.949 134 HA ASN 21 HA ASN 21 10.702 -17.209 1.398 135 HB2 ASN 21 HB2 ASN 21 8.499 -16.740 -0.001 136 HB3 ASN 21 HB3 ASN 21 9.608 -16.890 -1.362 137 HD21 ASN 21 HD21 ASN 21 7.786 -18.525 0.984 138 HD22 ASN 21 HD22 ASN 21 8.303 -20.131 0.611 139 H TYR 22 H TYR 22 12.377 -14.810 0.539 140 HA TYR 22 HA TYR 22 14.078 -16.265 -1.379 141 HB2 TYR 22 HB2 TYR 22 13.449 -13.327 -1.193 142 HB3 TYR 22 HB3 TYR 22 14.899 -13.906 -2.006 143 HD1 TYR 22 HD1 TYR 22 11.389 -13.286 -2.310 144 HD2 TYR 22 HD2 TYR 22 14.604 -15.549 -3.938 145 HE1 TYR 22 HE1 TYR 22 10.082 -13.656 -4.360 146 HE2 TYR 22 HE2 TYR 22 13.305 -15.924 -5.993 147 HH TYR 22 HH TYR 22 10.869 -14.214 -6.968 148 H LYS 23 H LYS 23 16.369 -14.954 -1.306 149 HA LYS 23 HA LYS 23 17.169 -14.407 1.429 150 HB2 LYS 23 HB2 LYS 23 17.295 -16.939 0.991 151 HB3 LYS 23 HB3 LYS 23 18.644 -16.559 -0.073 152 HG2 LYS 23 HG2 LYS 23 19.675 -15.367 1.925 153 HG3 LYS 23 HG3 LYS 23 18.445 -16.177 2.896 154 HD2 LYS 23 HD2 LYS 23 19.259 -18.332 2.260 155 HD3 LYS 23 HD3 LYS 23 20.342 -17.627 1.057 156 HE2 LYS 23 HE2 LYS 23 21.740 -18.117 2.861 157 HE3 LYS 23 HE3 LYS 23 21.416 -16.392 3.028 158 HZ1 LYS 23 HZ1 LYS 23 20.295 -16.702 4.930 159 HZ2 LYS 23 HZ2 LYS 23 21.138 -18.167 5.006 160 HZ3 LYS 23 HZ3 LYS 23 19.556 -18.131 4.406 161 H CYS 24 H CYS 24 19.040 -13.198 1.585 162 HA CYS 24 HA CYS 24 20.150 -12.279 -0.984 163 HB2 CYS 24 HB2 CYS 24 18.907 -10.654 0.599 164 HB3 CYS 24 HB3 CYS 24 20.352 -10.753 1.601 165 H SER 25 H SER 25 21.813 -13.744 -1.209 166 HA SER 25 HA SER 25 23.646 -14.280 0.945 167 HB2 SER 25 HB2 SER 25 22.992 -15.504 -1.513 168 HB3 SER 25 HB3 SER 25 24.691 -15.043 -1.627 169 HG SER 25 HG SER 25 24.553 -17.071 -0.689 170 H SER 26 H SER 26 25.514 -13.288 1.388 171 HA SER 26 HA SER 26 26.156 -10.822 0.135 172 HB2 SER 26 HB2 SER 26 27.908 -10.639 1.726 173 HB3 SER 26 HB3 SER 26 26.609 -11.493 2.558 174 HG SER 26 HG SER 26 29.102 -12.405 1.731 175 H LYS 27 H LYS 27 27.116 -14.093 -0.399 176 HA LYS 27 HA LYS 27 29.610 -13.844 -1.557 177 HB2 LYS 27 HB2 LYS 27 27.315 -15.712 -2.015 178 HB3 LYS 27 HB3 LYS 27 28.723 -15.799 -3.066 179 HG2 LYS 27 HG2 LYS 27 28.822 -16.020 -0.066 180 HG3 LYS 27 HG3 LYS 27 28.786 -17.392 -1.177 181 HD2 LYS 27 HD2 LYS 27 30.846 -16.272 -2.262 182 HD3 LYS 27 HD3 LYS 27 30.947 -15.356 -0.757 183 HE2 LYS 27 HE2 LYS 27 32.367 -17.300 -0.611 184 HE3 LYS 27 HE3 LYS 27 31.006 -17.484 0.494 185 HZ1 LYS 27 HZ1 LYS 27 31.589 -19.492 -0.862 186 HZ2 LYS 27 HZ2 LYS 27 31.036 -18.659 -2.227 187 HZ3 LYS 27 HZ3 LYS 27 29.971 -19.006 -0.959 188 H ASP 28 H ASP 28 26.521 -13.907 -3.347 189 HA ASP 28 HA ASP 28 27.847 -12.602 -5.602 190 HB2 ASP 28 HB2 ASP 28 25.486 -14.333 -5.264 191 HB3 ASP 28 HB3 ASP 28 25.281 -13.028 -6.429 192 H LEU 29 H LEU 29 25.880 -11.848 -2.946 193 HA LEU 29 HA LEU 29 24.884 -9.927 -2.245 194 HB2 LEU 29 HB2 LEU 29 26.144 -8.586 -4.624 195 HB3 LEU 29 HB3 LEU 29 25.636 -7.843 -3.109 196 HG LEU 29 HG LEU 29 27.819 -9.893 -3.137 197 HD11 LEU 29 HD11 LEU 29 27.896 -7.244 -4.338 198 HD12 LEU 29 HD12 LEU 29 29.047 -8.575 -4.450 199 HD13 LEU 29 HD13 LEU 29 29.109 -7.470 -3.077 200 HD21 LEU 29 HD21 LEU 29 28.442 -8.933 -1.091 201 HD22 LEU 29 HD22 LEU 29 26.679 -9.001 -1.035 202 HD23 LEU 29 HD23 LEU 29 27.492 -7.476 -1.387 203 H TRP 30 H TRP 30 23.376 -11.645 -3.830 204 HA TRP 30 HA TRP 30 21.525 -9.730 -5.058 205 HB2 TRP 30 HB2 TRP 30 21.087 -11.298 -6.913 206 HB3 TRP 30 HB3 TRP 30 22.757 -10.736 -6.907 207 HD1 TRP 30 HD1 TRP 30 22.464 -13.269 -4.281 208 HE1 TRP 30 HE1 TRP 30 23.316 -15.555 -5.103 209 HE3 TRP 30 HE3 TRP 30 22.650 -12.310 -9.299 210 HZ2 TRP 30 HZ2 TRP 30 23.980 -16.788 -7.553 211 HZ3 TRP 30 HZ3 TRP 30 23.406 -14.097 -10.814 212 HH2 TRP 30 HH2 TRP 30 24.056 -16.288 -9.957 213 H CYS 31 H CYS 31 19.493 -11.307 -5.789 214 HA CYS 31 HA CYS 31 18.629 -12.462 -3.238 215 HB2 CYS 31 HB2 CYS 31 16.894 -11.814 -5.621 216 HB3 CYS 31 HB3 CYS 31 16.381 -12.101 -3.961 217 H LYS 32 H LYS 32 17.941 -14.542 -3.035 218 HA LYS 32 HA LYS 32 17.919 -16.229 -5.440 219 HB2 LYS 32 HB2 LYS 32 19.335 -16.873 -2.846 220 HB3 LYS 32 HB3 LYS 32 19.111 -18.002 -4.177 221 HG2 LYS 32 HG2 LYS 32 20.320 -15.529 -5.066 222 HG3 LYS 32 HG3 LYS 32 21.258 -16.301 -3.785 223 HD2 LYS 32 HD2 LYS 32 20.248 -17.861 -6.143 224 HD3 LYS 32 HD3 LYS 32 21.762 -16.956 -6.220 225 HE2 LYS 32 HE2 LYS 32 22.577 -18.962 -5.517 226 HE3 LYS 32 HE3 LYS 32 22.211 -18.246 -3.948 227 HZ1 LYS 32 HZ1 LYS 32 20.021 -19.683 -5.176 228 HZ2 LYS 32 HZ2 LYS 32 20.567 -19.702 -3.575 229 HZ3 LYS 32 HZ3 LYS 32 21.343 -20.647 -4.744 230 H TYR 33 H TYR 33 16.579 -18.056 -5.334 231 HA TYR 33 HA TYR 33 14.354 -17.769 -3.517 232 HB2 TYR 33 HB2 TYR 33 13.274 -19.472 -4.855 233 HB3 TYR 33 HB3 TYR 33 14.039 -18.303 -5.928 234 HD1 TYR 33 HD1 TYR 33 16.046 -18.914 -7.203 235 HD2 TYR 33 HD2 TYR 33 14.034 -21.753 -4.755 236 HE1 TYR 33 HE1 TYR 33 17.247 -20.735 -8.339 237 HE2 TYR 33 HE2 TYR 33 15.230 -23.582 -5.883 238 HH TYR 33 HH TYR 33 16.391 -24.041 -7.921 239 H LYS 34 H LYS 34 13.983 -18.912 -1.728 240 HA LYS 34 HA LYS 34 15.561 -21.353 -1.266 241 HB2 LYS 34 HB2 LYS 34 15.287 -18.927 0.420 242 HB3 LYS 34 HB3 LYS 34 15.251 -20.474 1.255 243 HG2 LYS 34 HG2 LYS 34 17.424 -19.916 -0.711 244 HG3 LYS 34 HG3 LYS 34 17.503 -19.218 0.909 245 HD2 LYS 34 HD2 LYS 34 17.011 -21.649 1.692 246 HD3 LYS 34 HD3 LYS 34 17.565 -22.092 0.076 247 HE2 LYS 34 HE2 LYS 34 19.095 -20.604 2.202 248 HE3 LYS 34 HE3 LYS 34 19.435 -22.211 1.562 249 HZ1 LYS 34 HZ1 LYS 34 20.938 -20.766 0.518 250 HZ2 LYS 34 HZ2 LYS 34 19.752 -19.603 0.197 251 HZ3 LYS 34 HZ3 LYS 34 19.749 -21.070 -0.647 252 H ILE 35 H ILE 35 14.528 -23.034 -0.242 253 HA ILE 35 HA ILE 35 11.695 -22.621 0.449 254 HB ILE 35 HB ILE 35 11.321 -24.988 -0.396 255 HG12 ILE 35 HG12 ILE 35 13.566 -24.647 -2.288 256 HG13 ILE 35 HG13 ILE 35 14.022 -25.074 -0.643 257 HG21 ILE 35 HG21 ILE 35 11.054 -22.569 -1.611 258 HG22 ILE 35 HG22 ILE 35 12.012 -23.457 -2.796 259 HG23 ILE 35 HG23 ILE 35 10.456 -24.094 -2.264 260 HD11 ILE 35 HD11 ILE 35 11.948 -26.613 -2.164 261 HD12 ILE 35 HD12 ILE 35 13.671 -26.970 -2.290 262 HD13 ILE 35 HD13 ILE 35 12.856 -27.099 -0.731 263 H TRP 36 H TRP 36 11.157 -23.307 2.413 264 HA TRP 36 HA TRP 36 12.861 -25.327 3.712 265 HB2 TRP 36 HB2 TRP 36 12.438 -24.123 5.868 266 HB3 TRP 36 HB3 TRP 36 13.413 -23.214 4.716 267 HD1 TRP 36 HD1 TRP 36 12.403 -20.965 3.760 268 HE1 TRP 36 HE1 TRP 36 10.372 -19.533 4.428 269 HE3 TRP 36 HE3 TRP 36 10.005 -24.319 6.783 270 HZ2 TRP 36 HZ2 TRP 36 8.059 -19.791 6.026 271 HZ3 TRP 36 HZ3 TRP 36 7.890 -23.648 7.843 272 HH2 TRP 36 HH2 TRP 36 6.938 -21.430 7.472 Start of MODEL 12 1 H SER 1 H SER 1 -0.304 -2.478 -3.409 2 HA SER 1 HA SER 1 1.630 -0.489 -2.660 3 HB2 SER 1 HB2 SER 1 0.796 -1.175 -0.295 4 HB3 SER 1 HB3 SER 1 -0.327 -0.363 -1.385 5 HG SER 1 HG SER 1 -1.516 -2.046 -0.888 6 H GLU 2 H GLU 2 2.901 -2.673 -3.839 7 HA GLU 2 HA GLU 2 4.563 -3.569 -1.601 8 HB2 GLU 2 HB2 GLU 2 2.944 -5.383 -2.180 9 HB3 GLU 2 HB3 GLU 2 3.629 -5.421 -3.798 10 HG2 GLU 2 HG2 GLU 2 4.545 -7.202 -2.452 11 HG3 GLU 2 HG3 GLU 2 5.802 -6.037 -2.863 12 H ASP 3 H ASP 3 6.558 -2.910 -1.994 13 HA ASP 3 HA ASP 3 7.545 -2.976 -4.770 14 HB2 ASP 3 HB2 ASP 3 8.353 -0.932 -2.696 15 HB3 ASP 3 HB3 ASP 3 8.779 -0.947 -4.406 16 H CYS 4 H CYS 4 8.629 -4.906 -4.587 17 HA CYS 4 HA CYS 4 10.900 -4.915 -2.710 18 HB2 CYS 4 HB2 CYS 4 10.672 -7.420 -2.679 19 HB3 CYS 4 HB3 CYS 4 9.353 -6.553 -1.898 20 H LEU 5 H LEU 5 12.496 -6.767 -3.479 21 HA LEU 5 HA LEU 5 13.119 -6.131 -6.269 22 HB2 LEU 5 HB2 LEU 5 14.758 -7.138 -3.965 23 HB3 LEU 5 HB3 LEU 5 15.353 -7.203 -5.624 24 HG LEU 5 HG LEU 5 14.538 -4.666 -4.211 25 HD11 LEU 5 HD11 LEU 5 17.169 -4.408 -4.453 26 HD12 LEU 5 HD12 LEU 5 17.095 -6.163 -4.293 27 HD13 LEU 5 HD13 LEU 5 16.421 -5.132 -3.030 28 HD21 LEU 5 HD21 LEU 5 14.928 -5.244 -6.922 29 HD22 LEU 5 HD22 LEU 5 16.386 -4.401 -6.397 30 HD23 LEU 5 HD23 LEU 5 14.804 -3.654 -6.169 31 H GLY 6 H GLY 6 13.793 -7.776 -7.736 32 HA2 GLY 6 HA2 GLY 6 12.359 -10.280 -7.306 33 HA3 GLY 6 HA3 GLY 6 13.033 -9.714 -8.826 34 H ALA 7 H ALA 7 13.697 -12.052 -8.845 35 HA ALA 7 HA ALA 7 15.775 -12.917 -7.092 36 HB1 ALA 7 HB1 ALA 7 14.364 -13.996 -9.438 37 HB2 ALA 7 HB2 ALA 7 16.015 -14.576 -9.211 38 HB3 ALA 7 HB3 ALA 7 14.824 -14.779 -7.926 39 H PHE 8 H PHE 8 17.971 -13.018 -7.418 40 HA PHE 8 HA PHE 8 20.021 -12.391 -8.176 41 HB2 PHE 8 HB2 PHE 8 18.747 -12.160 -10.905 42 HB3 PHE 8 HB3 PHE 8 20.442 -12.459 -10.535 43 HD1 PHE 8 HD1 PHE 8 17.940 -14.004 -12.017 44 HD2 PHE 8 HD2 PHE 8 20.362 -14.563 -8.562 45 HE1 PHE 8 HE1 PHE 8 17.531 -16.428 -12.126 46 HE2 PHE 8 HE2 PHE 8 19.957 -16.988 -8.666 47 HZ PHE 8 HZ PHE 8 18.539 -17.923 -10.450 48 H SER 9 H SER 9 17.959 -10.390 -7.386 49 HA SER 9 HA SER 9 18.662 -8.056 -8.978 50 HB2 SER 9 HB2 SER 9 16.313 -8.502 -8.114 51 HB3 SER 9 HB3 SER 9 16.927 -8.118 -6.506 52 HG SER 9 HG SER 9 16.134 -6.443 -8.412 53 H ARG 10 H ARG 10 19.634 -6.184 -8.104 54 HA ARG 10 HA ARG 10 21.848 -6.643 -6.454 55 HB2 ARG 10 HB2 ARG 10 20.681 -4.409 -7.867 56 HB3 ARG 10 HB3 ARG 10 21.286 -3.899 -6.297 57 HG2 ARG 10 HG2 ARG 10 23.480 -4.714 -6.811 58 HG3 ARG 10 HG3 ARG 10 22.906 -5.432 -8.316 59 HD2 ARG 10 HD2 ARG 10 22.923 -2.488 -7.658 60 HD3 ARG 10 HD3 ARG 10 24.077 -3.314 -8.702 61 HE ARG 10 HE ARG 10 21.390 -2.524 -9.366 62 HH11 ARG 10 HH11 ARG 10 24.032 -4.658 -10.130 63 HH12 ARG 10 HH12 ARG 10 23.521 -4.917 -11.765 64 HH21 ARG 10 HH21 ARG 10 20.706 -2.858 -11.516 65 HH22 ARG 10 HH22 ARG 10 21.630 -3.892 -12.552 66 H CYS 11 H CYS 11 22.071 -6.762 -4.321 67 HA CYS 11 HA CYS 11 20.532 -5.194 -2.499 68 HB2 CYS 11 HB2 CYS 11 19.288 -6.908 -1.399 69 HB3 CYS 11 HB3 CYS 11 18.936 -7.049 -3.119 70 H SER 12 H SER 12 21.262 -5.388 -0.319 71 HA SER 12 HA SER 12 23.923 -6.626 -0.130 72 HB2 SER 12 HB2 SER 12 22.728 -4.142 0.996 73 HB3 SER 12 HB3 SER 12 23.926 -4.983 1.979 74 HG SER 12 HG SER 12 25.429 -4.330 0.665 75 HA PRO 13 HA PRO 13 22.688 -9.404 3.032 76 HB2 PRO 13 HB2 PRO 13 24.822 -9.363 4.708 77 HB3 PRO 13 HB3 PRO 13 24.868 -10.126 3.115 78 HG2 PRO 13 HG2 PRO 13 25.866 -7.432 3.953 79 HG3 PRO 13 HG3 PRO 13 26.635 -8.632 2.899 80 HD2 PRO 13 HD2 PRO 13 25.327 -6.467 1.932 81 HD3 PRO 13 HD3 PRO 13 25.373 -8.019 1.071 82 H LYS 14 H LYS 14 23.840 -6.251 4.110 83 HA LYS 14 HA LYS 14 22.562 -6.520 6.699 84 HB2 LYS 14 HB2 LYS 14 24.769 -5.280 6.197 85 HB3 LYS 14 HB3 LYS 14 23.746 -3.988 5.587 86 HG2 LYS 14 HG2 LYS 14 23.177 -5.060 8.296 87 HG3 LYS 14 HG3 LYS 14 24.592 -4.028 8.080 88 HD2 LYS 14 HD2 LYS 14 23.332 -2.183 7.548 89 HD3 LYS 14 HD3 LYS 14 21.990 -3.147 6.925 90 HE2 LYS 14 HE2 LYS 14 21.238 -2.178 8.950 91 HE3 LYS 14 HE3 LYS 14 21.566 -3.874 9.301 92 HZ1 LYS 14 HZ1 LYS 14 23.835 -3.049 10.059 93 HZ2 LYS 14 HZ2 LYS 14 22.516 -2.715 11.062 94 HZ3 LYS 14 HZ3 LYS 14 23.150 -1.501 10.069 95 H ASN 15 H ASN 15 22.053 -4.816 3.659 96 HA ASN 15 HA ASN 15 19.495 -3.799 4.702 97 HB2 ASN 15 HB2 ASN 15 21.013 -2.850 2.263 98 HB3 ASN 15 HB3 ASN 15 19.581 -2.106 2.968 99 HD21 ASN 15 HD21 ASN 15 22.996 -2.627 3.290 100 HD22 ASN 15 HD22 ASN 15 23.269 -1.433 4.509 101 H ASP 16 H ASP 16 19.734 -6.494 3.912 102 HA ASP 16 HA ASP 16 19.003 -7.039 1.275 103 HB2 ASP 16 HB2 ASP 16 19.614 -8.928 2.481 104 HB3 ASP 16 HB3 ASP 16 18.636 -8.478 3.876 105 H LYS 17 H LYS 17 17.374 -6.046 0.267 106 HA LYS 17 HA LYS 17 14.748 -6.010 1.603 107 HB2 LYS 17 HB2 LYS 17 15.996 -3.927 -0.190 108 HB3 LYS 17 HB3 LYS 17 14.281 -3.955 0.197 109 HG2 LYS 17 HG2 LYS 17 14.692 -3.533 2.485 110 HG3 LYS 17 HG3 LYS 17 16.421 -3.842 2.303 111 HD2 LYS 17 HD2 LYS 17 16.487 -1.872 0.728 112 HD3 LYS 17 HD3 LYS 17 14.837 -1.511 1.240 113 HE2 LYS 17 HE2 LYS 17 15.508 -1.084 3.454 114 HE3 LYS 17 HE3 LYS 17 17.081 -1.842 3.210 115 HZ1 LYS 17 HZ1 LYS 17 17.087 0.131 1.372 116 HZ2 LYS 17 HZ2 LYS 17 17.787 0.241 2.908 117 HZ3 LYS 17 HZ3 LYS 17 16.233 0.852 2.643 118 H CYS 18 H CYS 18 14.748 -8.188 0.479 119 HA CYS 18 HA CYS 18 13.807 -7.860 -2.295 120 HB2 CYS 18 HB2 CYS 18 15.183 -10.261 -1.070 121 HB3 CYS 18 HB3 CYS 18 14.561 -10.172 -2.715 122 H CYS 19 H CYS 19 12.144 -9.374 -2.983 123 HA CYS 19 HA CYS 19 9.912 -9.425 -1.400 124 HB2 CYS 19 HB2 CYS 19 10.775 -10.813 -3.842 125 HB3 CYS 19 HB3 CYS 19 9.535 -11.669 -2.932 126 HA PRO 20 HA PRO 20 10.216 -12.636 1.571 127 HB2 PRO 20 HB2 PRO 20 7.771 -13.812 1.466 128 HB3 PRO 20 HB3 PRO 20 8.034 -12.202 2.148 129 HG2 PRO 20 HG2 PRO 20 7.026 -12.967 -0.565 130 HG3 PRO 20 HG3 PRO 20 6.442 -11.700 0.530 131 HD2 PRO 20 HD2 PRO 20 8.048 -11.172 -1.585 132 HD3 PRO 20 HD3 PRO 20 8.107 -10.228 -0.082 133 H ASN 21 H ASN 21 10.230 -14.955 1.938 134 HA ASN 21 HA ASN 21 10.671 -17.118 1.383 135 HB2 ASN 21 HB2 ASN 21 9.510 -16.693 -1.353 136 HB3 ASN 21 HB3 ASN 21 9.462 -18.132 -0.340 137 HD21 ASN 21 HD21 ASN 21 7.722 -15.557 -1.463 138 HD22 ASN 21 HD22 ASN 21 6.441 -15.560 -0.304 139 H TYR 22 H TYR 22 12.371 -14.740 0.541 140 HA TYR 22 HA TYR 22 14.051 -16.198 -1.391 141 HB2 TYR 22 HB2 TYR 22 13.447 -13.256 -1.194 142 HB3 TYR 22 HB3 TYR 22 14.891 -13.843 -2.012 143 HD1 TYR 22 HD1 TYR 22 11.384 -13.199 -2.308 144 HD2 TYR 22 HD2 TYR 22 14.583 -15.473 -3.951 145 HE1 TYR 22 HE1 TYR 22 10.072 -13.552 -4.357 146 HE2 TYR 22 HE2 TYR 22 13.280 -15.831 -6.006 147 HH TYR 22 HH TYR 22 10.037 -14.430 -6.394 148 H LYS 23 H LYS 23 16.354 -14.909 -1.319 149 HA LYS 23 HA LYS 23 17.164 -14.378 1.417 150 HB2 LYS 23 HB2 LYS 23 17.290 -16.865 1.132 151 HB3 LYS 23 HB3 LYS 23 18.471 -16.610 -0.145 152 HG2 LYS 23 HG2 LYS 23 20.010 -15.607 1.413 153 HG3 LYS 23 HG3 LYS 23 18.811 -15.702 2.706 154 HD2 LYS 23 HD2 LYS 23 18.810 -18.200 2.363 155 HD3 LYS 23 HD3 LYS 23 20.205 -17.976 1.304 156 HE2 LYS 23 HE2 LYS 23 21.551 -17.201 3.063 157 HE3 LYS 23 HE3 LYS 23 20.163 -16.905 4.108 158 HZ1 LYS 23 HZ1 LYS 23 21.669 -19.016 4.400 159 HZ2 LYS 23 HZ2 LYS 23 20.646 -19.648 3.210 160 HZ3 LYS 23 HZ3 LYS 23 20.001 -19.089 4.671 161 H CYS 24 H CYS 24 19.043 -13.184 1.573 162 HA CYS 24 HA CYS 24 20.146 -12.251 -0.993 163 HB2 CYS 24 HB2 CYS 24 18.941 -10.635 0.634 164 HB3 CYS 24 HB3 CYS 24 20.403 -10.762 1.607 165 H SER 25 H SER 25 21.772 -13.765 -1.241 166 HA SER 25 HA SER 25 23.615 -14.371 0.872 167 HB2 SER 25 HB2 SER 25 22.924 -15.549 -1.561 168 HB3 SER 25 HB3 SER 25 24.585 -15.007 -1.794 169 HG SER 25 HG SER 25 25.039 -16.785 -0.761 170 H SER 26 H SER 26 25.450 -13.367 1.386 171 HA SER 26 HA SER 26 26.131 -10.884 0.186 172 HB2 SER 26 HB2 SER 26 27.923 -10.786 1.791 173 HB3 SER 26 HB3 SER 26 26.522 -11.492 2.596 174 HG SER 26 HG SER 26 27.468 -13.451 2.565 175 H LYS 27 H LYS 27 27.036 -14.139 -0.434 176 HA LYS 27 HA LYS 27 29.581 -13.868 -1.516 177 HB2 LYS 27 HB2 LYS 27 28.341 -16.016 -1.097 178 HB3 LYS 27 HB3 LYS 27 27.423 -15.702 -2.565 179 HG2 LYS 27 HG2 LYS 27 29.180 -17.238 -3.073 180 HG3 LYS 27 HG3 LYS 27 29.552 -15.690 -3.835 181 HD2 LYS 27 HD2 LYS 27 31.170 -15.168 -2.170 182 HD3 LYS 27 HD3 LYS 27 30.658 -16.521 -1.159 183 HE2 LYS 27 HE2 LYS 27 32.708 -17.114 -2.257 184 HE3 LYS 27 HE3 LYS 27 31.400 -18.070 -2.952 185 HZ1 LYS 27 HZ1 LYS 27 32.362 -15.553 -4.182 186 HZ2 LYS 27 HZ2 LYS 27 31.386 -16.747 -4.879 187 HZ3 LYS 27 HZ3 LYS 27 33.019 -17.064 -4.570 188 H ASP 28 H ASP 28 26.519 -13.955 -3.350 189 HA ASP 28 HA ASP 28 27.860 -12.649 -5.591 190 HB2 ASP 28 HB2 ASP 28 25.484 -14.358 -5.262 191 HB3 ASP 28 HB3 ASP 28 25.292 -13.051 -6.427 192 H LEU 29 H LEU 29 25.893 -11.872 -2.944 193 HA LEU 29 HA LEU 29 24.916 -9.940 -2.248 194 HB2 LEU 29 HB2 LEU 29 26.183 -8.613 -4.631 195 HB3 LEU 29 HB3 LEU 29 25.690 -7.867 -3.113 196 HG LEU 29 HG LEU 29 27.863 -9.933 -3.176 197 HD11 LEU 29 HD11 LEU 29 29.112 -8.589 -4.435 198 HD12 LEU 29 HD12 LEU 29 29.132 -7.486 -3.059 199 HD13 LEU 29 HD13 LEU 29 27.938 -7.276 -4.340 200 HD21 LEU 29 HD21 LEU 29 28.606 -8.572 -1.199 201 HD22 LEU 29 HD22 LEU 29 27.070 -9.416 -0.997 202 HD23 LEU 29 HD23 LEU 29 27.088 -7.683 -1.331 203 H TRP 30 H TRP 30 23.395 -11.650 -3.832 204 HA TRP 30 HA TRP 30 21.561 -9.722 -5.063 205 HB2 TRP 30 HB2 TRP 30 21.111 -11.287 -6.917 206 HB3 TRP 30 HB3 TRP 30 22.785 -10.739 -6.911 207 HD1 TRP 30 HD1 TRP 30 22.472 -13.266 -4.281 208 HE1 TRP 30 HE1 TRP 30 23.304 -15.560 -5.100 209 HE3 TRP 30 HE3 TRP 30 22.664 -12.317 -9.302 210 HZ2 TRP 30 HZ2 TRP 30 23.957 -16.802 -7.549 211 HZ3 TRP 30 HZ3 TRP 30 23.403 -14.112 -10.814 212 HH2 TRP 30 HH2 TRP 30 24.036 -16.307 -9.953 213 H CYS 31 H CYS 31 19.516 -11.283 -5.795 214 HA CYS 31 HA CYS 31 18.647 -12.435 -3.242 215 HB2 CYS 31 HB2 CYS 31 16.910 -11.755 -5.617 216 HB3 CYS 31 HB3 CYS 31 16.400 -12.045 -3.956 217 H LYS 32 H LYS 32 17.930 -14.508 -3.050 218 HA LYS 32 HA LYS 32 17.876 -16.180 -5.463 219 HB2 LYS 32 HB2 LYS 32 19.338 -16.813 -2.894 220 HB3 LYS 32 HB3 LYS 32 19.040 -17.982 -4.174 221 HG2 LYS 32 HG2 LYS 32 20.305 -15.525 -5.112 222 HG3 LYS 32 HG3 LYS 32 21.266 -16.417 -3.930 223 HD2 LYS 32 HD2 LYS 32 20.034 -17.681 -6.373 224 HD3 LYS 32 HD3 LYS 32 21.678 -17.037 -6.329 225 HE2 LYS 32 HE2 LYS 32 22.351 -18.620 -4.701 226 HE3 LYS 32 HE3 LYS 32 20.685 -19.100 -4.377 227 HZ1 LYS 32 HZ1 LYS 32 20.592 -19.946 -6.689 228 HZ2 LYS 32 HZ2 LYS 32 21.705 -20.767 -5.714 229 HZ3 LYS 32 HZ3 LYS 32 22.247 -19.630 -6.844 230 H TYR 33 H TYR 33 16.534 -18.013 -5.344 231 HA TYR 33 HA TYR 33 14.321 -17.709 -3.512 232 HB2 TYR 33 HB2 TYR 33 13.217 -19.396 -4.849 233 HB3 TYR 33 HB3 TYR 33 13.981 -18.229 -5.921 234 HD1 TYR 33 HD1 TYR 33 15.973 -18.849 -7.216 235 HD2 TYR 33 HD2 TYR 33 13.958 -21.685 -4.766 236 HE1 TYR 33 HE1 TYR 33 17.149 -20.674 -8.371 237 HE2 TYR 33 HE2 TYR 33 15.129 -23.518 -5.914 238 HH TYR 33 HH TYR 33 16.390 -24.052 -7.718 239 H LYS 34 H LYS 34 13.950 -18.860 -1.727 240 HA LYS 34 HA LYS 34 15.475 -21.340 -1.304 241 HB2 LYS 34 HB2 LYS 34 15.354 -18.905 0.395 242 HB3 LYS 34 HB3 LYS 34 15.317 -20.456 1.223 243 HG2 LYS 34 HG2 LYS 34 17.416 -19.837 -0.823 244 HG3 LYS 34 HG3 LYS 34 17.584 -19.325 0.858 245 HD2 LYS 34 HD2 LYS 34 16.998 -21.840 1.346 246 HD3 LYS 34 HD3 LYS 34 17.577 -22.073 -0.305 247 HE2 LYS 34 HE2 LYS 34 19.127 -20.697 1.887 248 HE3 LYS 34 HE3 LYS 34 19.337 -22.383 1.415 249 HZ1 LYS 34 HZ1 LYS 34 19.986 -19.947 -0.119 250 HZ2 LYS 34 HZ2 LYS 34 19.752 -21.428 -0.903 251 HZ3 LYS 34 HZ3 LYS 34 20.981 -21.266 0.249 252 H ILE 35 H ILE 35 14.318 -23.015 -0.551 253 HA ILE 35 HA ILE 35 11.709 -22.507 0.683 254 HB ILE 35 HB ILE 35 10.790 -24.455 -0.669 255 HG12 ILE 35 HG12 ILE 35 12.656 -23.813 -2.861 256 HG13 ILE 35 HG13 ILE 35 13.361 -24.729 -1.533 257 HG21 ILE 35 HG21 ILE 35 11.412 -21.761 -1.818 258 HG22 ILE 35 HG22 ILE 35 10.472 -22.942 -2.728 259 HG23 ILE 35 HG23 ILE 35 9.891 -22.368 -1.166 260 HD11 ILE 35 HD11 ILE 35 12.043 -25.794 -3.660 261 HD12 ILE 35 HD12 ILE 35 12.289 -26.597 -2.109 262 HD13 ILE 35 HD13 ILE 35 10.779 -25.748 -2.433 263 H TRP 36 H TRP 36 11.513 -23.621 2.504 264 HA TRP 36 HA TRP 36 13.362 -25.809 3.043 265 HB2 TRP 36 HB2 TRP 36 11.364 -24.543 4.926 266 HB3 TRP 36 HB3 TRP 36 12.728 -25.571 5.356 267 HD1 TRP 36 HD1 TRP 36 11.903 -22.001 4.244 268 HE1 TRP 36 HE1 TRP 36 13.939 -20.501 4.726 269 HE3 TRP 36 HE3 TRP 36 15.256 -25.603 5.629 270 HZ2 TRP 36 HZ2 TRP 36 16.612 -20.805 5.580 271 HZ3 TRP 36 HZ3 TRP 36 17.532 -24.914 6.264 272 HH2 TRP 36 HH2 TRP 36 18.194 -22.565 6.238 Start of MODEL 13 1 H SER 1 H SER 1 0.090 -2.629 -4.061 2 HA SER 1 HA SER 1 1.817 -0.408 -3.296 3 HB2 SER 1 HB2 SER 1 -0.556 -0.847 -2.363 4 HB3 SER 1 HB3 SER 1 0.214 -2.098 -1.387 5 HG SER 1 HG SER 1 0.899 -0.586 -0.115 6 H GLU 2 H GLU 2 3.134 -2.683 -4.331 7 HA GLU 2 HA GLU 2 4.711 -3.440 -1.976 8 HB2 GLU 2 HB2 GLU 2 3.753 -5.348 -4.116 9 HB3 GLU 2 HB3 GLU 2 4.939 -5.744 -2.881 10 HG2 GLU 2 HG2 GLU 2 2.106 -4.898 -2.326 11 HG3 GLU 2 HG3 GLU 2 2.671 -6.568 -2.372 12 H ASP 3 H ASP 3 6.707 -2.741 -2.295 13 HA ASP 3 HA ASP 3 7.819 -2.851 -5.023 14 HB2 ASP 3 HB2 ASP 3 9.249 -0.897 -4.313 15 HB3 ASP 3 HB3 ASP 3 7.532 -0.542 -4.479 16 H CYS 4 H CYS 4 8.650 -4.949 -4.577 17 HA CYS 4 HA CYS 4 10.933 -4.953 -2.710 18 HB2 CYS 4 HB2 CYS 4 10.621 -7.429 -2.607 19 HB3 CYS 4 HB3 CYS 4 9.262 -6.519 -1.954 20 H LEU 5 H LEU 5 12.701 -6.469 -3.345 21 HA LEU 5 HA LEU 5 13.382 -6.009 -6.121 22 HB2 LEU 5 HB2 LEU 5 14.904 -7.214 -3.819 23 HB3 LEU 5 HB3 LEU 5 15.561 -7.049 -5.447 24 HG LEU 5 HG LEU 5 14.665 -4.739 -3.727 25 HD11 LEU 5 HD11 LEU 5 17.328 -6.059 -4.084 26 HD12 LEU 5 HD12 LEU 5 16.530 -5.536 -2.601 27 HD13 LEU 5 HD13 LEU 5 17.212 -4.340 -3.703 28 HD21 LEU 5 HD21 LEU 5 15.085 -4.908 -6.472 29 HD22 LEU 5 HD22 LEU 5 16.564 -4.191 -5.833 30 HD23 LEU 5 HD23 LEU 5 15.003 -3.438 -5.499 31 H GLY 6 H GLY 6 13.776 -7.572 -7.668 32 HA2 GLY 6 HA2 GLY 6 12.370 -10.076 -7.265 33 HA3 GLY 6 HA3 GLY 6 13.045 -9.487 -8.777 34 H ALA 7 H ALA 7 13.547 -11.944 -8.669 35 HA ALA 7 HA ALA 7 15.661 -12.843 -7.017 36 HB1 ALA 7 HB1 ALA 7 14.593 -14.653 -7.849 37 HB2 ALA 7 HB2 ALA 7 14.218 -13.866 -9.382 38 HB3 ALA 7 HB3 ALA 7 15.830 -14.524 -9.099 39 H PHE 8 H PHE 8 17.842 -12.935 -7.330 40 HA PHE 8 HA PHE 8 19.900 -12.378 -8.123 41 HB2 PHE 8 HB2 PHE 8 18.603 -12.151 -10.841 42 HB3 PHE 8 HB3 PHE 8 20.299 -12.468 -10.486 43 HD1 PHE 8 HD1 PHE 8 17.763 -13.996 -11.928 44 HD2 PHE 8 HD2 PHE 8 20.207 -14.552 -8.489 45 HE1 PHE 8 HE1 PHE 8 17.320 -16.414 -12.008 46 HE2 PHE 8 HE2 PHE 8 19.769 -16.971 -8.564 47 HZ PHE 8 HZ PHE 8 18.325 -17.906 -10.326 48 H SER 9 H SER 9 17.854 -10.327 -7.365 49 HA SER 9 HA SER 9 18.617 -8.024 -8.972 50 HB2 SER 9 HB2 SER 9 16.274 -8.241 -8.266 51 HB3 SER 9 HB3 SER 9 16.776 -8.227 -6.575 52 HG SER 9 HG SER 9 17.002 -6.129 -8.468 53 H ARG 10 H ARG 10 19.590 -6.143 -8.088 54 HA ARG 10 HA ARG 10 21.805 -6.623 -6.448 55 HB2 ARG 10 HB2 ARG 10 21.553 -4.747 -8.099 56 HB3 ARG 10 HB3 ARG 10 20.500 -3.943 -6.941 57 HG2 ARG 10 HG2 ARG 10 22.339 -3.876 -5.325 58 HG3 ARG 10 HG3 ARG 10 23.392 -4.659 -6.505 59 HD2 ARG 10 HD2 ARG 10 22.591 -2.645 -8.019 60 HD3 ARG 10 HD3 ARG 10 22.319 -1.886 -6.451 61 HE ARG 10 HE ARG 10 24.907 -3.062 -6.618 62 HH11 ARG 10 HH11 ARG 10 23.035 -0.282 -7.561 63 HH12 ARG 10 HH12 ARG 10 24.408 0.771 -7.660 64 HH21 ARG 10 HH21 ARG 10 26.721 -1.686 -6.745 65 HH22 ARG 10 HH22 ARG 10 26.504 -0.028 -7.196 66 H CYS 11 H CYS 11 22.044 -6.740 -4.315 67 HA CYS 11 HA CYS 11 20.513 -5.180 -2.481 68 HB2 CYS 11 HB2 CYS 11 19.265 -6.891 -1.385 69 HB3 CYS 11 HB3 CYS 11 18.915 -7.036 -3.105 70 H SER 12 H SER 12 21.233 -5.413 -0.291 71 HA SER 12 HA SER 12 23.900 -6.645 -0.122 72 HB2 SER 12 HB2 SER 12 22.708 -4.171 1.035 73 HB3 SER 12 HB3 SER 12 23.925 -5.016 1.991 74 HG SER 12 HG SER 12 25.419 -4.440 0.610 75 HA PRO 13 HA PRO 13 22.670 -9.440 3.026 76 HB2 PRO 13 HB2 PRO 13 24.810 -9.413 4.697 77 HB3 PRO 13 HB3 PRO 13 24.848 -10.166 3.099 78 HG2 PRO 13 HG2 PRO 13 25.855 -7.478 3.950 79 HG3 PRO 13 HG3 PRO 13 26.618 -8.672 2.886 80 HD2 PRO 13 HD2 PRO 13 25.311 -6.501 1.936 81 HD3 PRO 13 HD3 PRO 13 25.351 -8.048 1.065 82 H LYS 14 H LYS 14 23.832 -6.295 4.120 83 HA LYS 14 HA LYS 14 22.541 -6.582 6.705 84 HB2 LYS 14 HB2 LYS 14 24.170 -4.388 5.431 85 HB3 LYS 14 HB3 LYS 14 23.363 -4.178 6.980 86 HG2 LYS 14 HG2 LYS 14 25.206 -6.489 6.547 87 HG3 LYS 14 HG3 LYS 14 25.849 -4.887 6.918 88 HD2 LYS 14 HD2 LYS 14 24.691 -4.814 8.994 89 HD3 LYS 14 HD3 LYS 14 23.745 -6.249 8.590 90 HE2 LYS 14 HE2 LYS 14 25.698 -7.638 8.713 91 HE3 LYS 14 HE3 LYS 14 26.743 -6.233 8.909 92 HZ1 LYS 14 HZ1 LYS 14 25.141 -5.866 10.964 93 HZ2 LYS 14 HZ2 LYS 14 26.530 -6.826 11.068 94 HZ3 LYS 14 HZ3 LYS 14 25.016 -7.550 10.857 95 H ASN 15 H ASN 15 22.088 -4.830 3.684 96 HA ASN 15 HA ASN 15 19.540 -3.780 4.718 97 HB2 ASN 15 HB2 ASN 15 21.040 -2.822 2.274 98 HB3 ASN 15 HB3 ASN 15 19.677 -2.039 3.068 99 HD21 ASN 15 HD21 ASN 15 22.822 -1.728 2.598 100 HD22 ASN 15 HD22 ASN 15 23.305 -0.970 4.073 101 H ASP 16 H ASP 16 19.775 -6.473 3.870 102 HA ASP 16 HA ASP 16 19.035 -6.954 1.222 103 HB2 ASP 16 HB2 ASP 16 19.635 -8.874 2.380 104 HB3 ASP 16 HB3 ASP 16 18.668 -8.450 3.789 105 H LYS 17 H LYS 17 17.341 -6.208 0.151 106 HA LYS 17 HA LYS 17 14.746 -6.071 1.532 107 HB2 LYS 17 HB2 LYS 17 14.244 -4.024 0.182 108 HB3 LYS 17 HB3 LYS 17 15.502 -3.802 1.390 109 HG2 LYS 17 HG2 LYS 17 17.147 -4.275 -0.518 110 HG3 LYS 17 HG3 LYS 17 15.771 -3.990 -1.587 111 HD2 LYS 17 HD2 LYS 17 16.506 -2.018 0.550 112 HD3 LYS 17 HD3 LYS 17 17.321 -2.009 -1.017 113 HE2 LYS 17 HE2 LYS 17 15.586 -0.493 -1.314 114 HE3 LYS 17 HE3 LYS 17 14.938 -1.981 -2.003 115 HZ1 LYS 17 HZ1 LYS 17 14.336 -1.874 0.748 116 HZ2 LYS 17 HZ2 LYS 17 13.273 -1.910 -0.568 117 HZ3 LYS 17 HZ3 LYS 17 13.840 -0.429 0.020 118 H CYS 18 H CYS 18 14.745 -8.260 0.430 119 HA CYS 18 HA CYS 18 13.785 -7.964 -2.341 120 HB2 CYS 18 HB2 CYS 18 15.168 -10.353 -1.101 121 HB3 CYS 18 HB3 CYS 18 14.545 -10.273 -2.747 122 H CYS 19 H CYS 19 12.120 -9.485 -3.003 123 HA CYS 19 HA CYS 19 9.899 -9.525 -1.403 124 HB2 CYS 19 HB2 CYS 19 10.754 -10.987 -3.819 125 HB3 CYS 19 HB3 CYS 19 9.462 -11.755 -2.901 126 HA PRO 20 HA PRO 20 10.229 -12.713 1.591 127 HB2 PRO 20 HB2 PRO 20 7.786 -13.894 1.512 128 HB3 PRO 20 HB3 PRO 20 8.051 -12.279 2.180 129 HG2 PRO 20 HG2 PRO 20 7.026 -13.067 -0.520 130 HG3 PRO 20 HG3 PRO 20 6.446 -11.793 0.569 131 HD2 PRO 20 HD2 PRO 20 8.038 -11.278 -1.562 132 HD3 PRO 20 HD3 PRO 20 8.104 -10.323 -0.066 133 H ASN 21 H ASN 21 10.250 -15.029 1.977 134 HA ASN 21 HA ASN 21 10.690 -17.195 1.436 135 HB2 ASN 21 HB2 ASN 21 9.520 -16.803 -1.301 136 HB3 ASN 21 HB3 ASN 21 9.466 -18.225 -0.264 137 HD21 ASN 21 HD21 ASN 21 7.377 -16.567 -1.640 138 HD22 ASN 21 HD22 ASN 21 6.237 -16.193 -0.396 139 H TYR 22 H TYR 22 12.381 -14.821 0.565 140 HA TYR 22 HA TYR 22 14.051 -16.290 -1.370 141 HB2 TYR 22 HB2 TYR 22 13.442 -13.349 -1.181 142 HB3 TYR 22 HB3 TYR 22 14.889 -13.932 -1.995 143 HD1 TYR 22 HD1 TYR 22 11.376 -13.312 -2.292 144 HD2 TYR 22 HD2 TYR 22 14.594 -15.558 -3.935 145 HE1 TYR 22 HE1 TYR 22 10.066 -13.678 -4.341 146 HE2 TYR 22 HE2 TYR 22 13.295 -15.929 -5.990 147 HH TYR 22 HH TYR 22 10.592 -15.948 -6.479 148 H LYS 23 H LYS 23 16.354 -14.999 -1.315 149 HA LYS 23 HA LYS 23 17.179 -14.478 1.421 150 HB2 LYS 23 HB2 LYS 23 17.332 -16.954 1.128 151 HB3 LYS 23 HB3 LYS 23 18.474 -16.689 -0.183 152 HG2 LYS 23 HG2 LYS 23 20.036 -15.647 1.351 153 HG3 LYS 23 HG3 LYS 23 18.880 -15.823 2.674 154 HD2 LYS 23 HD2 LYS 23 20.155 -17.680 3.043 155 HD3 LYS 23 HD3 LYS 23 18.972 -18.364 1.926 156 HE2 LYS 23 HE2 LYS 23 20.473 -18.529 0.224 157 HE3 LYS 23 HE3 LYS 23 21.384 -17.111 0.744 158 HZ1 LYS 23 HZ1 LYS 23 22.574 -18.335 2.279 159 HZ2 LYS 23 HZ2 LYS 23 22.439 -19.425 0.994 160 HZ3 LYS 23 HZ3 LYS 23 21.436 -19.584 2.346 161 H CYS 24 H CYS 24 19.026 -13.246 1.574 162 HA CYS 24 HA CYS 24 20.133 -12.309 -0.991 163 HB2 CYS 24 HB2 CYS 24 18.863 -10.688 0.556 164 HB3 CYS 24 HB3 CYS 24 20.276 -10.787 1.604 165 H SER 25 H SER 25 21.790 -13.805 -1.178 166 HA SER 25 HA SER 25 23.627 -14.291 0.978 167 HB2 SER 25 HB2 SER 25 22.992 -15.541 -1.472 168 HB3 SER 25 HB3 SER 25 24.688 -15.068 -1.584 169 HG SER 25 HG SER 25 24.187 -17.184 -0.593 170 H SER 26 H SER 26 25.503 -13.301 1.408 171 HA SER 26 HA SER 26 26.123 -10.829 0.154 172 HB2 SER 26 HB2 SER 26 28.104 -10.827 1.642 173 HB3 SER 26 HB3 SER 26 26.619 -11.203 2.515 174 HG SER 26 HG SER 26 28.218 -12.654 3.125 175 H LYS 27 H LYS 27 27.104 -14.095 -0.386 176 HA LYS 27 HA LYS 27 29.586 -13.832 -1.559 177 HB2 LYS 27 HB2 LYS 27 28.152 -15.943 -1.123 178 HB3 LYS 27 HB3 LYS 27 27.496 -15.649 -2.728 179 HG2 LYS 27 HG2 LYS 27 29.876 -15.665 -3.568 180 HG3 LYS 27 HG3 LYS 27 30.336 -16.274 -1.975 181 HD2 LYS 27 HD2 LYS 27 30.078 -18.181 -3.344 182 HD3 LYS 27 HD3 LYS 27 28.629 -18.112 -2.339 183 HE2 LYS 27 HE2 LYS 27 27.345 -17.203 -4.142 184 HE3 LYS 27 HE3 LYS 27 28.786 -17.004 -5.136 185 HZ1 LYS 27 HZ1 LYS 27 28.509 -19.045 -5.905 186 HZ2 LYS 27 HZ2 LYS 27 27.104 -19.222 -4.980 187 HZ3 LYS 27 HZ3 LYS 27 28.600 -19.688 -4.342 188 H ASP 28 H ASP 28 26.488 -13.902 -3.334 189 HA ASP 28 HA ASP 28 27.796 -12.586 -5.593 190 HB2 ASP 28 HB2 ASP 28 25.435 -14.318 -5.244 191 HB3 ASP 28 HB3 ASP 28 25.233 -13.015 -6.413 192 H LEU 29 H LEU 29 25.820 -11.854 -2.930 193 HA LEU 29 HA LEU 29 24.820 -9.939 -2.219 194 HB2 LEU 29 HB2 LEU 29 26.096 -8.581 -4.579 195 HB3 LEU 29 HB3 LEU 29 25.575 -7.848 -3.063 196 HG LEU 29 HG LEU 29 27.755 -9.901 -3.076 197 HD11 LEU 29 HD11 LEU 29 28.965 -8.586 -4.419 198 HD12 LEU 29 HD12 LEU 29 29.083 -7.515 -3.024 199 HD13 LEU 29 HD13 LEU 29 27.852 -7.227 -4.253 200 HD21 LEU 29 HD21 LEU 29 27.102 -7.537 -1.320 201 HD22 LEU 29 HD22 LEU 29 28.473 -8.625 -1.102 202 HD23 LEU 29 HD23 LEU 29 26.827 -9.236 -0.936 203 H TRP 30 H TRP 30 23.323 -11.645 -3.829 204 HA TRP 30 HA TRP 30 21.478 -9.719 -5.051 205 HB2 TRP 30 HB2 TRP 30 21.053 -11.268 -6.924 206 HB3 TRP 30 HB3 TRP 30 22.722 -10.708 -6.901 207 HD1 TRP 30 HD1 TRP 30 22.415 -13.265 -4.301 208 HE1 TRP 30 HE1 TRP 30 23.269 -15.544 -5.138 209 HE3 TRP 30 HE3 TRP 30 22.627 -12.262 -9.310 210 HZ2 TRP 30 HZ2 TRP 30 23.944 -16.755 -7.597 211 HZ3 TRP 30 HZ3 TRP 30 23.389 -14.035 -10.836 212 HH2 TRP 30 HH2 TRP 30 24.034 -16.235 -9.995 213 H CYS 31 H CYS 31 19.451 -11.289 -5.809 214 HA CYS 31 HA CYS 31 18.563 -12.453 -3.271 215 HB2 CYS 31 HB2 CYS 31 16.857 -11.834 -5.682 216 HB3 CYS 31 HB3 CYS 31 16.325 -12.109 -4.027 217 H LYS 32 H LYS 32 17.940 -14.544 -3.060 218 HA LYS 32 HA LYS 32 17.948 -16.239 -5.460 219 HB2 LYS 32 HB2 LYS 32 19.356 -16.825 -2.850 220 HB3 LYS 32 HB3 LYS 32 19.125 -18.001 -4.138 221 HG2 LYS 32 HG2 LYS 32 20.347 -15.531 -5.070 222 HG3 LYS 32 HG3 LYS 32 21.294 -16.347 -3.824 223 HD2 LYS 32 HD2 LYS 32 20.215 -17.725 -6.279 224 HD3 LYS 32 HD3 LYS 32 21.832 -17.024 -6.181 225 HE2 LYS 32 HE2 LYS 32 22.452 -18.524 -4.429 226 HE3 LYS 32 HE3 LYS 32 20.794 -19.100 -4.260 227 HZ1 LYS 32 HZ1 LYS 32 22.671 -19.594 -6.496 228 HZ2 LYS 32 HZ2 LYS 32 21.012 -19.895 -6.622 229 HZ3 LYS 32 HZ3 LYS 32 21.939 -20.731 -5.481 230 H TYR 33 H TYR 33 16.605 -18.054 -5.384 231 HA TYR 33 HA TYR 33 14.347 -17.785 -3.617 232 HB2 TYR 33 HB2 TYR 33 13.333 -19.538 -4.940 233 HB3 TYR 33 HB3 TYR 33 14.109 -18.385 -6.021 234 HD1 TYR 33 HD1 TYR 33 16.180 -18.994 -7.205 235 HD2 TYR 33 HD2 TYR 33 14.105 -21.805 -4.776 236 HE1 TYR 33 HE1 TYR 33 17.440 -20.824 -8.259 237 HE2 TYR 33 HE2 TYR 33 15.360 -23.644 -5.823 238 HH TYR 33 HH TYR 33 16.950 -23.422 -8.623 239 H LYS 34 H LYS 34 13.927 -18.906 -1.822 240 HA LYS 34 HA LYS 34 15.391 -21.390 -1.299 241 HB2 LYS 34 HB2 LYS 34 15.534 -18.869 0.259 242 HB3 LYS 34 HB3 LYS 34 15.405 -20.359 1.185 243 HG2 LYS 34 HG2 LYS 34 17.475 -19.947 -0.952 244 HG3 LYS 34 HG3 LYS 34 17.738 -19.519 0.740 245 HD2 LYS 34 HD2 LYS 34 17.366 -21.817 1.412 246 HD3 LYS 34 HD3 LYS 34 16.983 -22.268 -0.250 247 HE2 LYS 34 HE2 LYS 34 19.197 -22.936 -0.007 248 HE3 LYS 34 HE3 LYS 34 19.329 -21.372 -0.808 249 HZ1 LYS 34 HZ1 LYS 34 20.912 -21.456 0.951 250 HZ2 LYS 34 HZ2 LYS 34 19.744 -21.942 2.074 251 HZ3 LYS 34 HZ3 LYS 34 19.691 -20.383 1.421 252 H ILE 35 H ILE 35 14.235 -22.924 -0.237 253 HA ILE 35 HA ILE 35 11.678 -22.174 0.980 254 HB ILE 35 HB ILE 35 10.638 -24.209 -0.124 255 HG12 ILE 35 HG12 ILE 35 13.011 -23.856 -1.969 256 HG13 ILE 35 HG13 ILE 35 12.717 -25.240 -0.922 257 HG21 ILE 35 HG21 ILE 35 9.923 -22.970 -2.028 258 HG22 ILE 35 HG22 ILE 35 10.205 -21.815 -0.727 259 HG23 ILE 35 HG23 ILE 35 11.392 -21.995 -2.019 260 HD11 ILE 35 HD11 ILE 35 11.647 -24.624 -3.551 261 HD12 ILE 35 HD12 ILE 35 11.775 -26.167 -2.708 262 HD13 ILE 35 HD13 ILE 35 10.409 -25.097 -2.388 263 H TRP 36 H TRP 36 11.445 -23.101 2.900 264 HA TRP 36 HA TRP 36 13.345 -24.983 3.882 265 HB2 TRP 36 HB2 TRP 36 10.807 -23.819 5.016 266 HB3 TRP 36 HB3 TRP 36 11.745 -25.032 5.884 267 HD1 TRP 36 HD1 TRP 36 12.051 -21.419 4.570 268 HE1 TRP 36 HE1 TRP 36 13.853 -20.210 5.954 269 HE3 TRP 36 HE3 TRP 36 13.727 -25.369 7.351 270 HZ2 TRP 36 HZ2 TRP 36 15.737 -20.847 7.958 271 HZ3 TRP 36 HZ3 TRP 36 15.532 -24.984 8.978 272 HH2 TRP 36 HH2 TRP 36 16.515 -22.769 9.274 Start of MODEL 14 1 H SER 1 H SER 1 3.396 3.013 -2.719 2 HA SER 1 HA SER 1 2.366 0.426 -2.040 3 HB2 SER 1 HB2 SER 1 2.182 1.593 -4.308 4 HB3 SER 1 HB3 SER 1 3.862 1.123 -4.566 5 HG SER 1 HG SER 1 1.818 -0.324 -5.114 6 H GLU 2 H GLU 2 3.481 -1.551 -2.035 7 HA GLU 2 HA GLU 2 6.197 -1.351 -1.053 8 HB2 GLU 2 HB2 GLU 2 4.176 -3.563 -1.234 9 HB3 GLU 2 HB3 GLU 2 5.861 -3.925 -0.889 10 HG2 GLU 2 HG2 GLU 2 4.443 -1.865 0.732 11 HG3 GLU 2 HG3 GLU 2 4.156 -3.575 1.048 12 H ASP 3 H ASP 3 7.918 -1.488 -2.314 13 HA ASP 3 HA ASP 3 7.688 -2.956 -4.860 14 HB2 ASP 3 HB2 ASP 3 9.324 -0.508 -4.175 15 HB3 ASP 3 HB3 ASP 3 9.542 -1.440 -5.654 16 H CYS 4 H CYS 4 8.364 -4.923 -3.959 17 HA CYS 4 HA CYS 4 10.882 -5.095 -2.559 18 HB2 CYS 4 HB2 CYS 4 10.443 -7.485 -2.459 19 HB3 CYS 4 HB3 CYS 4 8.993 -6.593 -2.008 20 H LEU 5 H LEU 5 12.646 -6.479 -3.288 21 HA LEU 5 HA LEU 5 13.275 -5.959 -6.060 22 HB2 LEU 5 HB2 LEU 5 14.833 -7.235 -3.821 23 HB3 LEU 5 HB3 LEU 5 15.466 -7.015 -5.452 24 HG LEU 5 HG LEU 5 14.590 -4.763 -3.648 25 HD11 LEU 5 HD11 LEU 5 16.463 -5.533 -2.552 26 HD12 LEU 5 HD12 LEU 5 17.164 -4.384 -3.689 27 HD13 LEU 5 HD13 LEU 5 17.225 -6.112 -4.033 28 HD21 LEU 5 HD21 LEU 5 15.337 -4.950 -6.440 29 HD22 LEU 5 HD22 LEU 5 16.386 -3.848 -5.548 30 HD23 LEU 5 HD23 LEU 5 14.639 -3.600 -5.546 31 H GLY 6 H GLY 6 13.855 -7.536 -7.604 32 HA2 GLY 6 HA2 GLY 6 12.369 -10.024 -7.295 33 HA3 GLY 6 HA3 GLY 6 13.063 -9.402 -8.785 34 H ALA 7 H ALA 7 13.545 -11.873 -8.707 35 HA ALA 7 HA ALA 7 15.655 -12.797 -7.062 36 HB1 ALA 7 HB1 ALA 7 14.490 -14.558 -7.921 37 HB2 ALA 7 HB2 ALA 7 14.272 -13.791 -9.496 38 HB3 ALA 7 HB3 ALA 7 15.827 -14.506 -9.071 39 H PHE 8 H PHE 8 17.837 -12.911 -7.387 40 HA PHE 8 HA PHE 8 19.895 -12.359 -8.180 41 HB2 PHE 8 HB2 PHE 8 18.618 -12.065 -10.900 42 HB3 PHE 8 HB3 PHE 8 20.294 -12.462 -10.531 43 HD1 PHE 8 HD1 PHE 8 17.769 -13.868 -12.065 44 HD2 PHE 8 HD2 PHE 8 20.033 -14.558 -8.527 45 HE1 PHE 8 HE1 PHE 8 17.224 -16.264 -12.187 46 HE2 PHE 8 HE2 PHE 8 19.491 -16.955 -8.644 47 HZ PHE 8 HZ PHE 8 18.084 -17.810 -10.475 48 H SER 9 H SER 9 17.818 -10.300 -7.438 49 HA SER 9 HA SER 9 18.627 -7.987 -9.004 50 HB2 SER 9 HB2 SER 9 16.265 -8.248 -8.299 51 HB3 SER 9 HB3 SER 9 16.773 -8.149 -6.614 52 HG SER 9 HG SER 9 16.739 -6.150 -8.587 53 H ARG 10 H ARG 10 19.592 -6.117 -8.083 54 HA ARG 10 HA ARG 10 21.784 -6.622 -6.420 55 HB2 ARG 10 HB2 ARG 10 22.213 -4.279 -6.492 56 HB3 ARG 10 HB3 ARG 10 21.537 -4.722 -8.053 57 HG2 ARG 10 HG2 ARG 10 19.280 -4.002 -6.967 58 HG3 ARG 10 HG3 ARG 10 20.327 -3.123 -5.850 59 HD2 ARG 10 HD2 ARG 10 19.880 -1.564 -7.521 60 HD3 ARG 10 HD3 ARG 10 21.463 -2.203 -7.961 61 HE ARG 10 HE ARG 10 19.618 -3.754 -9.298 62 HH11 ARG 10 HH11 ARG 10 20.508 -0.391 -9.189 63 HH12 ARG 10 HH12 ARG 10 20.055 -0.083 -10.833 64 HH21 ARG 10 HH21 ARG 10 19.018 -3.362 -11.464 65 HH22 ARG 10 HH22 ARG 10 19.207 -1.775 -12.126 66 H CYS 11 H CYS 11 22.092 -6.560 -4.272 67 HA CYS 11 HA CYS 11 20.521 -5.083 -2.449 68 HB2 CYS 11 HB2 CYS 11 19.244 -6.788 -1.370 69 HB3 CYS 11 HB3 CYS 11 18.894 -6.900 -3.092 70 H SER 12 H SER 12 21.227 -5.327 -0.259 71 HA SER 12 HA SER 12 23.878 -6.583 -0.077 72 HB2 SER 12 HB2 SER 12 24.460 -4.538 0.661 73 HB3 SER 12 HB3 SER 12 22.776 -4.051 0.860 74 HG SER 12 HG SER 12 24.470 -4.556 2.760 75 HA PRO 13 HA PRO 13 22.611 -9.454 2.987 76 HB2 PRO 13 HB2 PRO 13 24.729 -9.467 4.685 77 HB3 PRO 13 HB3 PRO 13 24.789 -10.181 3.069 78 HG2 PRO 13 HG2 PRO 13 25.781 -7.514 3.999 79 HG3 PRO 13 HG3 PRO 13 26.560 -8.682 2.915 80 HD2 PRO 13 HD2 PRO 13 25.262 -6.489 2.002 81 HD3 PRO 13 HD3 PRO 13 25.315 -8.013 1.094 82 H LYS 14 H LYS 14 23.755 -6.336 4.171 83 HA LYS 14 HA LYS 14 22.440 -6.684 6.735 84 HB2 LYS 14 HB2 LYS 14 23.929 -4.329 5.561 85 HB3 LYS 14 HB3 LYS 14 23.296 -4.400 7.200 86 HG2 LYS 14 HG2 LYS 14 24.764 -6.296 7.683 87 HG3 LYS 14 HG3 LYS 14 25.407 -6.209 6.040 88 HD2 LYS 14 HD2 LYS 14 26.513 -4.209 6.443 89 HD3 LYS 14 HD3 LYS 14 25.482 -3.802 7.818 90 HE2 LYS 14 HE2 LYS 14 27.526 -4.407 8.781 91 HE3 LYS 14 HE3 LYS 14 26.515 -5.839 8.965 92 HZ1 LYS 14 HZ1 LYS 14 28.057 -6.987 7.899 93 HZ2 LYS 14 HZ2 LYS 14 28.987 -5.596 7.648 94 HZ3 LYS 14 HZ3 LYS 14 27.816 -6.047 6.513 95 H ASN 15 H ASN 15 21.997 -4.874 3.747 96 HA ASN 15 HA ASN 15 19.434 -3.865 4.783 97 HB2 ASN 15 HB2 ASN 15 21.204 -2.840 2.557 98 HB3 ASN 15 HB3 ASN 15 19.587 -2.222 2.879 99 HD21 ASN 15 HD21 ASN 15 22.860 -2.000 3.628 100 HD22 ASN 15 HD22 ASN 15 22.736 -0.924 4.976 101 H ASP 16 H ASP 16 19.712 -6.540 3.871 102 HA ASP 16 HA ASP 16 18.982 -6.959 1.210 103 HB2 ASP 16 HB2 ASP 16 19.620 -8.896 2.329 104 HB3 ASP 16 HB3 ASP 16 18.622 -8.533 3.734 105 H LYS 17 H LYS 17 17.284 -6.179 0.168 106 HA LYS 17 HA LYS 17 14.688 -6.116 1.558 107 HB2 LYS 17 HB2 LYS 17 14.155 -4.061 0.228 108 HB3 LYS 17 HB3 LYS 17 15.415 -3.836 1.435 109 HG2 LYS 17 HG2 LYS 17 17.060 -4.266 -0.481 110 HG3 LYS 17 HG3 LYS 17 15.677 -3.994 -1.544 111 HD2 LYS 17 HD2 LYS 17 16.619 -1.881 -1.391 112 HD3 LYS 17 HD3 LYS 17 15.355 -1.825 -0.158 113 HE2 LYS 17 HE2 LYS 17 17.212 -0.915 0.915 114 HE3 LYS 17 HE3 LYS 17 17.193 -2.590 1.466 115 HZ1 LYS 17 HZ1 LYS 17 18.728 -2.818 -0.680 116 HZ2 LYS 17 HZ2 LYS 17 19.345 -2.477 0.857 117 HZ3 LYS 17 HZ3 LYS 17 19.101 -1.224 -0.251 118 H CYS 18 H CYS 18 14.695 -8.291 0.437 119 HA CYS 18 HA CYS 18 13.730 -7.980 -2.330 120 HB2 CYS 18 HB2 CYS 18 15.122 -10.371 -1.105 121 HB3 CYS 18 HB3 CYS 18 14.496 -10.286 -2.748 122 H CYS 19 H CYS 19 12.071 -9.505 -3.001 123 HA CYS 19 HA CYS 19 9.849 -9.559 -1.404 124 HB2 CYS 19 HB2 CYS 19 10.705 -10.963 -3.842 125 HB3 CYS 19 HB3 CYS 19 9.466 -11.810 -2.920 126 HA PRO 20 HA PRO 20 10.188 -12.756 1.580 127 HB2 PRO 20 HB2 PRO 20 7.749 -13.947 1.493 128 HB3 PRO 20 HB3 PRO 20 8.007 -12.334 2.166 129 HG2 PRO 20 HG2 PRO 20 6.989 -13.117 -0.538 130 HG3 PRO 20 HG3 PRO 20 6.403 -11.848 0.555 131 HD2 PRO 20 HD2 PRO 20 7.994 -11.320 -1.572 132 HD3 PRO 20 HD3 PRO 20 8.056 -10.369 -0.072 133 H ASN 21 H ASN 21 10.206 -15.078 1.958 134 HA ASN 21 HA ASN 21 10.649 -17.241 1.409 135 HB2 ASN 21 HB2 ASN 21 8.563 -16.491 -0.321 136 HB3 ASN 21 HB3 ASN 21 9.745 -17.313 -1.333 137 HD21 ASN 21 HD21 ASN 21 9.554 -19.423 -1.457 138 HD22 ASN 21 HD22 ASN 21 8.787 -20.448 -0.296 139 H TYR 22 H TYR 22 12.332 -14.845 0.544 140 HA TYR 22 HA TYR 22 14.035 -16.315 -1.360 141 HB2 TYR 22 HB2 TYR 22 13.386 -13.381 -1.209 142 HB3 TYR 22 HB3 TYR 22 14.858 -13.948 -1.989 143 HD1 TYR 22 HD1 TYR 22 11.341 -13.392 -2.358 144 HD2 TYR 22 HD2 TYR 22 14.631 -15.594 -3.920 145 HE1 TYR 22 HE1 TYR 22 10.079 -13.798 -4.431 146 HE2 TYR 22 HE2 TYR 22 13.378 -16.004 -5.996 147 HH TYR 22 HH TYR 22 10.784 -14.318 -6.943 148 H LYS 23 H LYS 23 16.326 -15.001 -1.293 149 HA LYS 23 HA LYS 23 17.122 -14.413 1.432 150 HB2 LYS 23 HB2 LYS 23 17.761 -16.958 0.062 151 HB3 LYS 23 HB3 LYS 23 19.104 -16.167 0.877 152 HG2 LYS 23 HG2 LYS 23 16.479 -16.833 2.189 153 HG3 LYS 23 HG3 LYS 23 17.924 -17.843 2.268 154 HD2 LYS 23 HD2 LYS 23 19.034 -15.598 3.091 155 HD3 LYS 23 HD3 LYS 23 17.372 -15.202 3.533 156 HE2 LYS 23 HE2 LYS 23 17.235 -16.930 5.072 157 HE3 LYS 23 HE3 LYS 23 18.548 -17.836 4.320 158 HZ1 LYS 23 HZ1 LYS 23 18.992 -16.630 6.521 159 HZ2 LYS 23 HZ2 LYS 23 19.060 -15.223 5.586 160 HZ3 LYS 23 HZ3 LYS 23 20.142 -16.488 5.287 161 H CYS 24 H CYS 24 19.006 -13.221 1.567 162 HA CYS 24 HA CYS 24 20.154 -12.393 -1.017 163 HB2 CYS 24 HB2 CYS 24 18.878 -10.691 0.425 164 HB3 CYS 24 HB3 CYS 24 20.258 -10.765 1.515 165 H SER 25 H SER 25 21.891 -13.727 -1.212 166 HA SER 25 HA SER 25 23.663 -14.193 1.031 167 HB2 SER 25 HB2 SER 25 23.217 -15.374 -1.608 168 HB3 SER 25 HB3 SER 25 24.927 -15.224 -1.199 169 HG SER 25 HG SER 25 24.127 -17.185 -0.429 170 H SER 26 H SER 26 25.590 -13.251 1.393 171 HA SER 26 HA SER 26 26.210 -10.811 0.081 172 HB2 SER 26 HB2 SER 26 27.916 -10.559 1.663 173 HB3 SER 26 HB3 SER 26 26.742 -11.564 2.514 174 HG SER 26 HG SER 26 28.012 -13.323 2.204 175 H LYS 27 H LYS 27 27.093 -14.090 -0.467 176 HA LYS 27 HA LYS 27 29.568 -13.914 -1.671 177 HB2 LYS 27 HB2 LYS 27 27.203 -15.700 -2.095 178 HB3 LYS 27 HB3 LYS 27 28.577 -15.821 -3.186 179 HG2 LYS 27 HG2 LYS 27 30.009 -16.090 -1.102 180 HG3 LYS 27 HG3 LYS 27 28.493 -16.335 -0.232 181 HD2 LYS 27 HD2 LYS 27 29.074 -17.921 -2.701 182 HD3 LYS 27 HD3 LYS 27 29.803 -18.387 -1.162 183 HE2 LYS 27 HE2 LYS 27 26.849 -17.918 -1.468 184 HE3 LYS 27 HE3 LYS 27 27.591 -19.487 -1.782 185 HZ1 LYS 27 HZ1 LYS 27 27.242 -18.070 0.756 186 HZ2 LYS 27 HZ2 LYS 27 28.604 -19.058 0.581 187 HZ3 LYS 27 HZ3 LYS 27 27.056 -19.715 0.404 188 H ASP 28 H ASP 28 26.447 -13.854 -3.407 189 HA ASP 28 HA ASP 28 27.782 -12.531 -5.653 190 HB2 ASP 28 HB2 ASP 28 25.439 -14.289 -5.356 191 HB3 ASP 28 HB3 ASP 28 25.218 -12.960 -6.490 192 H LEU 29 H LEU 29 25.811 -11.836 -2.987 193 HA LEU 29 HA LEU 29 24.800 -9.936 -2.253 194 HB2 LEU 29 HB2 LEU 29 26.063 -8.552 -4.608 195 HB3 LEU 29 HB3 LEU 29 25.533 -7.830 -3.090 196 HG LEU 29 HG LEU 29 27.718 -9.873 -3.080 197 HD11 LEU 29 HD11 LEU 29 28.269 -8.185 -4.823 198 HD12 LEU 29 HD12 LEU 29 29.382 -8.196 -3.457 199 HD13 LEU 29 HD13 LEU 29 28.157 -6.935 -3.583 200 HD21 LEU 29 HD21 LEU 29 26.810 -7.607 -1.339 201 HD22 LEU 29 HD22 LEU 29 28.445 -8.256 -1.211 202 HD23 LEU 29 HD23 LEU 29 27.055 -9.303 -0.923 203 H TRP 30 H TRP 30 23.301 -11.633 -3.864 204 HA TRP 30 HA TRP 30 21.443 -9.709 -5.067 205 HB2 TRP 30 HB2 TRP 30 21.011 -11.256 -6.943 206 HB3 TRP 30 HB3 TRP 30 22.677 -10.684 -6.929 207 HD1 TRP 30 HD1 TRP 30 22.394 -13.255 -4.337 208 HE1 TRP 30 HE1 TRP 30 23.262 -15.524 -5.187 209 HE3 TRP 30 HE3 TRP 30 22.589 -12.226 -9.341 210 HZ2 TRP 30 HZ2 TRP 30 23.939 -16.719 -7.652 211 HZ3 TRP 30 HZ3 TRP 30 23.358 -13.987 -10.877 212 HH2 TRP 30 HH2 TRP 30 24.020 -16.185 -10.049 213 H CYS 31 H CYS 31 19.415 -11.277 -5.818 214 HA CYS 31 HA CYS 31 18.543 -12.451 -3.280 215 HB2 CYS 31 HB2 CYS 31 16.825 -11.838 -5.685 216 HB3 CYS 31 HB3 CYS 31 16.300 -12.117 -4.028 217 H LYS 32 H LYS 32 17.947 -14.547 -3.064 218 HA LYS 32 HA LYS 32 17.909 -16.239 -5.464 219 HB2 LYS 32 HB2 LYS 32 19.441 -16.793 -2.919 220 HB3 LYS 32 HB3 LYS 32 19.159 -17.987 -4.179 221 HG2 LYS 32 HG2 LYS 32 20.227 -15.926 -5.604 222 HG3 LYS 32 HG3 LYS 32 21.079 -15.785 -4.064 223 HD2 LYS 32 HD2 LYS 32 22.353 -17.223 -5.496 224 HD3 LYS 32 HD3 LYS 32 21.627 -18.215 -4.229 225 HE2 LYS 32 HE2 LYS 32 20.938 -19.523 -5.909 226 HE3 LYS 32 HE3 LYS 32 19.713 -18.284 -6.179 227 HZ1 LYS 32 HZ1 LYS 32 21.469 -17.206 -7.660 228 HZ2 LYS 32 HZ2 LYS 32 20.686 -18.584 -8.249 229 HZ3 LYS 32 HZ3 LYS 32 22.253 -18.705 -7.624 230 H TYR 33 H TYR 33 16.642 -18.123 -5.305 231 HA TYR 33 HA TYR 33 14.433 -17.878 -3.466 232 HB2 TYR 33 HB2 TYR 33 13.408 -19.654 -4.740 233 HB3 TYR 33 HB3 TYR 33 14.128 -18.503 -5.860 234 HD1 TYR 33 HD1 TYR 33 16.134 -19.100 -7.136 235 HD2 TYR 33 HD2 TYR 33 14.255 -21.903 -4.545 236 HE1 TYR 33 HE1 TYR 33 17.387 -20.923 -8.210 237 HE2 TYR 33 HE2 TYR 33 15.504 -23.734 -5.611 238 HH TYR 33 HH TYR 33 17.002 -23.493 -8.509 239 H LYS 34 H LYS 34 14.110 -18.987 -1.646 240 HA LYS 34 HA LYS 34 15.682 -21.416 -1.153 241 HB2 LYS 34 HB2 LYS 34 15.581 -18.939 0.532 242 HB3 LYS 34 HB3 LYS 34 15.817 -20.505 1.296 243 HG2 LYS 34 HG2 LYS 34 17.558 -19.453 -0.921 244 HG3 LYS 34 HG3 LYS 34 17.912 -19.245 0.795 245 HD2 LYS 34 HD2 LYS 34 17.745 -21.771 0.988 246 HD3 LYS 34 HD3 LYS 34 17.758 -21.806 -0.777 247 HE2 LYS 34 HE2 LYS 34 19.996 -22.126 -0.139 248 HE3 LYS 34 HE3 LYS 34 19.896 -20.437 -0.631 249 HZ1 LYS 34 HZ1 LYS 34 20.458 -19.764 1.396 250 HZ2 LYS 34 HZ2 LYS 34 20.886 -21.365 1.733 251 HZ3 LYS 34 HZ3 LYS 34 19.350 -20.794 2.153 252 H ILE 35 H ILE 35 14.407 -23.035 -0.562 253 HA ILE 35 HA ILE 35 12.052 -22.494 1.086 254 HB ILE 35 HB ILE 35 10.759 -24.154 -0.354 255 HG12 ILE 35 HG12 ILE 35 12.336 -23.311 -2.701 256 HG13 ILE 35 HG13 ILE 35 13.129 -24.480 -1.651 257 HG21 ILE 35 HG21 ILE 35 11.463 -21.434 -1.445 258 HG22 ILE 35 HG22 ILE 35 10.076 -22.395 -1.956 259 HG23 ILE 35 HG23 ILE 35 10.182 -21.816 -0.294 260 HD11 ILE 35 HD11 ILE 35 12.059 -25.930 -3.002 261 HD12 ILE 35 HD12 ILE 35 10.741 -25.649 -1.864 262 HD13 ILE 35 HD13 ILE 35 10.778 -24.787 -3.401 263 H TRP 36 H TRP 36 12.182 -23.764 2.802 264 HA TRP 36 HA TRP 36 13.187 -26.509 2.456 265 HB2 TRP 36 HB2 TRP 36 14.378 -26.384 4.549 266 HB3 TRP 36 HB3 TRP 36 14.890 -25.035 3.538 267 HD1 TRP 36 HD1 TRP 36 13.938 -22.571 4.235 268 HE1 TRP 36 HE1 TRP 36 13.249 -21.647 6.536 269 HE3 TRP 36 HE3 TRP 36 13.356 -26.989 6.741 270 HZ2 TRP 36 HZ2 TRP 36 12.552 -22.658 9.079 271 HZ3 TRP 36 HZ3 TRP 36 12.677 -26.922 9.106 272 HH2 TRP 36 HH2 TRP 36 12.285 -24.800 10.249 Start of MODEL 15 1 H SER 1 H SER 1 1.040 -3.370 -6.687 2 HA SER 1 HA SER 1 0.463 -1.662 -4.434 3 HB2 SER 1 HB2 SER 1 -0.784 -3.480 -3.559 4 HB3 SER 1 HB3 SER 1 -1.034 -3.546 -5.304 5 HG SER 1 HG SER 1 -0.391 -5.536 -5.062 6 H GLU 2 H GLU 2 2.683 -4.286 -5.201 7 HA GLU 2 HA GLU 2 3.926 -3.977 -2.554 8 HB2 GLU 2 HB2 GLU 2 5.048 -6.154 -3.092 9 HB3 GLU 2 HB3 GLU 2 3.298 -6.249 -2.952 10 HG2 GLU 2 HG2 GLU 2 3.119 -6.183 -5.402 11 HG3 GLU 2 HG3 GLU 2 4.877 -6.155 -5.512 12 H ASP 3 H ASP 3 6.093 -3.527 -2.349 13 HA ASP 3 HA ASP 3 7.545 -2.891 -4.831 14 HB2 ASP 3 HB2 ASP 3 8.652 -1.061 -3.341 15 HB3 ASP 3 HB3 ASP 3 7.065 -0.756 -4.043 16 H CYS 4 H CYS 4 8.809 -4.709 -4.854 17 HA CYS 4 HA CYS 4 10.874 -4.832 -2.791 18 HB2 CYS 4 HB2 CYS 4 10.676 -7.342 -2.757 19 HB3 CYS 4 HB3 CYS 4 9.337 -6.485 -1.999 20 H LEU 5 H LEU 5 12.499 -6.689 -3.516 21 HA LEU 5 HA LEU 5 13.195 -6.041 -6.285 22 HB2 LEU 5 HB2 LEU 5 14.768 -7.076 -3.948 23 HB3 LEU 5 HB3 LEU 5 15.406 -7.125 -5.590 24 HG LEU 5 HG LEU 5 14.571 -4.606 -4.153 25 HD11 LEU 5 HD11 LEU 5 17.191 -6.026 -4.361 26 HD12 LEU 5 HD12 LEU 5 16.443 -5.252 -2.965 27 HD13 LEU 5 HD13 LEU 5 17.140 -4.267 -4.251 28 HD21 LEU 5 HD21 LEU 5 14.928 -5.107 -6.862 29 HD22 LEU 5 HD22 LEU 5 16.440 -4.359 -6.347 30 HD23 LEU 5 HD23 LEU 5 14.907 -3.531 -6.071 31 H GLY 6 H GLY 6 13.755 -7.637 -7.796 32 HA2 GLY 6 HA2 GLY 6 12.352 -10.150 -7.402 33 HA3 GLY 6 HA3 GLY 6 13.061 -9.573 -8.903 34 H ALA 7 H ALA 7 13.626 -11.993 -8.799 35 HA ALA 7 HA ALA 7 15.699 -12.845 -7.058 36 HB1 ALA 7 HB1 ALA 7 14.969 -14.778 -7.873 37 HB2 ALA 7 HB2 ALA 7 14.146 -13.969 -9.207 38 HB3 ALA 7 HB3 ALA 7 15.845 -14.417 -9.361 39 H PHE 8 H PHE 8 17.897 -13.006 -7.373 40 HA PHE 8 HA PHE 8 19.964 -12.414 -8.117 41 HB2 PHE 8 HB2 PHE 8 18.710 -12.184 -10.856 42 HB3 PHE 8 HB3 PHE 8 20.400 -12.500 -10.474 43 HD1 PHE 8 HD1 PHE 8 17.825 -14.018 -11.912 44 HD2 PHE 8 HD2 PHE 8 20.347 -14.597 -8.532 45 HE1 PHE 8 HE1 PHE 8 17.389 -16.438 -12.005 46 HE2 PHE 8 HE2 PHE 8 19.915 -17.017 -8.619 47 HZ PHE 8 HZ PHE 8 18.433 -17.941 -10.357 48 H SER 9 H SER 9 17.887 -10.371 -7.398 49 HA SER 9 HA SER 9 18.651 -8.063 -8.990 50 HB2 SER 9 HB2 SER 9 16.300 -8.387 -8.200 51 HB3 SER 9 HB3 SER 9 16.871 -8.173 -6.544 52 HG SER 9 HG SER 9 16.670 -6.302 -8.621 53 H ARG 10 H ARG 10 19.638 -6.189 -8.121 54 HA ARG 10 HA ARG 10 21.851 -6.666 -6.475 55 HB2 ARG 10 HB2 ARG 10 21.553 -4.791 -8.153 56 HB3 ARG 10 HB3 ARG 10 20.578 -3.970 -6.942 57 HG2 ARG 10 HG2 ARG 10 22.494 -3.961 -5.415 58 HG3 ARG 10 HG3 ARG 10 23.469 -4.760 -6.650 59 HD2 ARG 10 HD2 ARG 10 22.710 -2.739 -8.127 60 HD3 ARG 10 HD3 ARG 10 22.414 -1.968 -6.570 61 HE ARG 10 HE ARG 10 24.957 -3.012 -6.421 62 HH11 ARG 10 HH11 ARG 10 23.276 -0.712 -8.420 63 HH12 ARG 10 HH12 ARG 10 24.690 0.234 -8.747 64 HH21 ARG 10 HH21 ARG 10 26.826 -1.776 -6.844 65 HH22 ARG 10 HH22 ARG 10 26.710 -0.373 -7.852 66 H CYS 11 H CYS 11 22.113 -6.720 -4.339 67 HA CYS 11 HA CYS 11 20.571 -5.156 -2.523 68 HB2 CYS 11 HB2 CYS 11 19.335 -6.863 -1.402 69 HB3 CYS 11 HB3 CYS 11 18.974 -7.019 -3.119 70 H SER 12 H SER 12 21.230 -5.477 -0.284 71 HA SER 12 HA SER 12 23.926 -6.653 -0.120 72 HB2 SER 12 HB2 SER 12 22.715 -4.183 1.029 73 HB3 SER 12 HB3 SER 12 23.932 -5.023 1.991 74 HG SER 12 HG SER 12 24.918 -3.499 0.647 75 HA PRO 13 HA PRO 13 22.698 -9.451 3.026 76 HB2 PRO 13 HB2 PRO 13 24.829 -9.408 4.708 77 HB3 PRO 13 HB3 PRO 13 24.881 -10.163 3.110 78 HG2 PRO 13 HG2 PRO 13 25.865 -7.468 3.965 79 HG3 PRO 13 HG3 PRO 13 26.642 -8.658 2.906 80 HD2 PRO 13 HD2 PRO 13 25.325 -6.496 1.946 81 HD3 PRO 13 HD3 PRO 13 25.380 -8.043 1.077 82 H LYS 14 H LYS 14 23.834 -6.297 4.122 83 HA LYS 14 HA LYS 14 22.542 -6.587 6.704 84 HB2 LYS 14 HB2 LYS 14 23.811 -4.099 5.564 85 HB3 LYS 14 HB3 LYS 14 23.503 -4.470 7.255 86 HG2 LYS 14 HG2 LYS 14 25.123 -6.391 6.995 87 HG3 LYS 14 HG3 LYS 14 25.558 -5.689 5.436 88 HD2 LYS 14 HD2 LYS 14 27.142 -4.817 6.923 89 HD3 LYS 14 HD3 LYS 14 25.962 -3.518 6.738 90 HE2 LYS 14 HE2 LYS 14 24.855 -4.684 8.823 91 HE3 LYS 14 HE3 LYS 14 26.490 -5.297 9.070 92 HZ1 LYS 14 HZ1 LYS 14 25.557 -2.882 9.894 93 HZ2 LYS 14 HZ2 LYS 14 26.429 -2.490 8.500 94 HZ3 LYS 14 HZ3 LYS 14 27.187 -3.317 9.765 95 H ASN 15 H ASN 15 22.059 -4.859 3.674 96 HA ASN 15 HA ASN 15 19.491 -3.854 4.705 97 HB2 ASN 15 HB2 ASN 15 21.349 -2.822 2.570 98 HB3 ASN 15 HB3 ASN 15 19.664 -2.314 2.643 99 HD21 ASN 15 HD21 ASN 15 22.587 -1.289 3.350 100 HD22 ASN 15 HD22 ASN 15 22.286 -0.360 4.775 101 H ASP 16 H ASP 16 19.757 -6.535 3.862 102 HA ASP 16 HA ASP 16 19.054 -7.030 1.208 103 HB2 ASP 16 HB2 ASP 16 19.665 -8.936 2.391 104 HB3 ASP 16 HB3 ASP 16 18.655 -8.523 3.775 105 H LYS 17 H LYS 17 17.440 -5.992 0.216 106 HA LYS 17 HA LYS 17 14.803 -5.972 1.533 107 HB2 LYS 17 HB2 LYS 17 16.156 -3.896 -0.167 108 HB3 LYS 17 HB3 LYS 17 14.402 -3.951 -0.040 109 HG2 LYS 17 HG2 LYS 17 14.579 -3.701 2.392 110 HG3 LYS 17 HG3 LYS 17 16.337 -3.614 2.245 111 HD2 LYS 17 HD2 LYS 17 14.600 -1.734 0.693 112 HD3 LYS 17 HD3 LYS 17 14.950 -1.420 2.394 113 HE2 LYS 17 HE2 LYS 17 16.676 -0.285 1.409 114 HE3 LYS 17 HE3 LYS 17 17.426 -1.868 1.622 115 HZ1 LYS 17 HZ1 LYS 17 17.671 -2.059 -0.558 116 HZ2 LYS 17 HZ2 LYS 17 17.131 -0.467 -0.736 117 HZ3 LYS 17 HZ3 LYS 17 16.033 -1.749 -0.842 118 H CYS 18 H CYS 18 14.792 -8.163 0.438 119 HA CYS 18 HA CYS 18 13.860 -7.868 -2.343 120 HB2 CYS 18 HB2 CYS 18 15.210 -10.262 -1.077 121 HB3 CYS 18 HB3 CYS 18 14.599 -10.190 -2.727 122 H CYS 19 H CYS 19 12.187 -9.375 -3.014 123 HA CYS 19 HA CYS 19 9.949 -9.386 -1.437 124 HB2 CYS 19 HB2 CYS 19 10.811 -10.852 -3.844 125 HB3 CYS 19 HB3 CYS 19 9.519 -11.626 -2.932 126 HA PRO 20 HA PRO 20 10.218 -12.564 1.574 127 HB2 PRO 20 HB2 PRO 20 7.764 -13.720 1.476 128 HB3 PRO 20 HB3 PRO 20 8.039 -12.105 2.140 129 HG2 PRO 20 HG2 PRO 20 7.032 -12.895 -0.567 130 HG3 PRO 20 HG3 PRO 20 6.455 -11.610 0.511 131 HD2 PRO 20 HD2 PRO 20 8.072 -11.120 -1.606 132 HD3 PRO 20 HD3 PRO 20 8.134 -10.160 -0.114 133 H ASN 21 H ASN 21 10.198 -14.882 1.971 134 HA ASN 21 HA ASN 21 10.617 -17.055 1.442 135 HB2 ASN 21 HB2 ASN 21 9.499 -16.654 -1.313 136 HB3 ASN 21 HB3 ASN 21 9.410 -18.074 -0.276 137 HD21 ASN 21 HD21 ASN 21 7.648 -15.661 -1.553 138 HD22 ASN 21 HD22 ASN 21 6.383 -15.553 -0.381 139 H TYR 22 H TYR 22 12.340 -14.691 0.571 140 HA TYR 22 HA TYR 22 14.028 -16.193 -1.321 141 HB2 TYR 22 HB2 TYR 22 13.452 -13.244 -1.157 142 HB3 TYR 22 HB3 TYR 22 14.902 -13.851 -1.950 143 HD1 TYR 22 HD1 TYR 22 11.402 -13.184 -2.294 144 HD2 TYR 22 HD2 TYR 22 14.607 -15.489 -3.881 145 HE1 TYR 22 HE1 TYR 22 10.113 -13.544 -4.358 146 HE2 TYR 22 HE2 TYR 22 13.327 -15.855 -5.950 147 HH TYR 22 HH TYR 22 11.023 -14.163 -7.011 148 H LYS 23 H LYS 23 16.344 -14.924 -1.237 149 HA LYS 23 HA LYS 23 17.140 -14.352 1.489 150 HB2 LYS 23 HB2 LYS 23 17.193 -16.947 0.910 151 HB3 LYS 23 HB3 LYS 23 18.724 -16.505 0.167 152 HG2 LYS 23 HG2 LYS 23 18.236 -15.543 2.922 153 HG3 LYS 23 HG3 LYS 23 18.523 -17.270 2.703 154 HD2 LYS 23 HD2 LYS 23 20.689 -16.968 2.097 155 HD3 LYS 23 HD3 LYS 23 20.357 -15.438 1.280 156 HE2 LYS 23 HE2 LYS 23 21.572 -14.715 3.092 157 HE3 LYS 23 HE3 LYS 23 19.928 -14.578 3.714 158 HZ1 LYS 23 HZ1 LYS 23 22.068 -16.202 4.641 159 HZ2 LYS 23 HZ2 LYS 23 20.711 -17.148 4.287 160 HZ3 LYS 23 HZ3 LYS 23 20.584 -15.864 5.380 161 H CYS 24 H CYS 24 19.030 -13.183 1.624 162 HA CYS 24 HA CYS 24 20.224 -12.413 -0.956 163 HB2 CYS 24 HB2 CYS 24 18.985 -10.677 0.495 164 HB3 CYS 24 HB3 CYS 24 20.381 -10.770 1.562 165 H SER 25 H SER 25 22.000 -13.640 -1.201 166 HA SER 25 HA SER 25 23.726 -14.201 1.073 167 HB2 SER 25 HB2 SER 25 23.214 -15.417 -1.513 168 HB3 SER 25 HB3 SER 25 24.944 -15.215 -1.231 169 HG SER 25 HG SER 25 23.503 -17.132 -0.317 170 H SER 26 H SER 26 25.678 -13.303 1.434 171 HA SER 26 HA SER 26 26.342 -10.868 0.134 172 HB2 SER 26 HB2 SER 26 28.130 -10.702 1.676 173 HB3 SER 26 HB3 SER 26 26.855 -11.549 2.552 174 HG SER 26 HG SER 26 28.108 -13.226 2.699 175 H LYS 27 H LYS 27 27.138 -14.157 -0.453 176 HA LYS 27 HA LYS 27 29.621 -14.038 -1.649 177 HB2 LYS 27 HB2 LYS 27 27.977 -16.038 -1.253 178 HB3 LYS 27 HB3 LYS 27 27.448 -15.686 -2.892 179 HG2 LYS 27 HG2 LYS 27 29.958 -15.821 -3.482 180 HG3 LYS 27 HG3 LYS 27 30.107 -16.659 -1.936 181 HD2 LYS 27 HD2 LYS 27 28.156 -17.474 -4.083 182 HD3 LYS 27 HD3 LYS 27 29.785 -18.142 -3.948 183 HE2 LYS 27 HE2 LYS 27 27.976 -18.162 -1.571 184 HE3 LYS 27 HE3 LYS 27 27.753 -19.363 -2.841 185 HZ1 LYS 27 HZ1 LYS 27 30.385 -18.897 -1.573 186 HZ2 LYS 27 HZ2 LYS 27 29.881 -20.231 -2.483 187 HZ3 LYS 27 HZ3 LYS 27 29.262 -19.986 -0.928 188 H ASP 28 H ASP 28 26.510 -13.860 -3.392 189 HA ASP 28 HA ASP 28 27.895 -12.510 -5.596 190 HB2 ASP 28 HB2 ASP 28 25.514 -14.249 -5.383 191 HB3 ASP 28 HB3 ASP 28 25.382 -12.922 -6.535 192 H LEU 29 H LEU 29 25.881 -11.873 -2.952 193 HA LEU 29 HA LEU 29 24.852 -9.992 -2.197 194 HB2 LEU 29 HB2 LEU 29 26.128 -8.554 -4.511 195 HB3 LEU 29 HB3 LEU 29 25.588 -7.869 -2.980 196 HG LEU 29 HG LEU 29 27.791 -9.895 -3.027 197 HD11 LEU 29 HD11 LEU 29 28.986 -8.534 -4.341 198 HD12 LEU 29 HD12 LEU 29 29.102 -7.509 -2.911 199 HD13 LEU 29 HD13 LEU 29 27.869 -7.186 -4.129 200 HD21 LEU 29 HD21 LEU 29 26.525 -8.875 -0.959 201 HD22 LEU 29 HD22 LEU 29 27.621 -7.520 -1.237 202 HD23 LEU 29 HD23 LEU 29 28.270 -9.131 -0.922 203 H TRP 30 H TRP 30 23.344 -11.652 -3.794 204 HA TRP 30 HA TRP 30 21.523 -9.718 -5.034 205 HB2 TRP 30 HB2 TRP 30 21.080 -11.300 -6.887 206 HB3 TRP 30 HB3 TRP 30 22.743 -10.722 -6.883 207 HD1 TRP 30 HD1 TRP 30 22.412 -13.274 -4.258 208 HE1 TRP 30 HE1 TRP 30 23.312 -15.544 -5.071 209 HE3 TRP 30 HE3 TRP 30 22.740 -12.273 -9.260 210 HZ2 TRP 30 HZ2 TRP 30 24.062 -16.751 -7.510 211 HZ3 TRP 30 HZ3 TRP 30 23.559 -14.039 -10.766 212 HH2 TRP 30 HH2 TRP 30 24.206 -16.231 -9.907 213 H CYS 31 H CYS 31 19.478 -11.265 -5.780 214 HA CYS 31 HA CYS 31 18.574 -12.400 -3.235 215 HB2 CYS 31 HB2 CYS 31 16.879 -11.783 -5.655 216 HB3 CYS 31 HB3 CYS 31 16.340 -12.038 -3.998 217 H LYS 32 H LYS 32 17.944 -14.483 -3.003 218 HA LYS 32 HA LYS 32 17.914 -16.199 -5.389 219 HB2 LYS 32 HB2 LYS 32 19.323 -16.824 -2.786 220 HB3 LYS 32 HB3 LYS 32 19.128 -17.946 -4.127 221 HG2 LYS 32 HG2 LYS 32 20.286 -15.563 -5.140 222 HG3 LYS 32 HG3 LYS 32 21.178 -16.042 -3.694 223 HD2 LYS 32 HD2 LYS 32 20.549 -17.864 -6.017 224 HD3 LYS 32 HD3 LYS 32 22.087 -17.031 -5.777 225 HE2 LYS 32 HE2 LYS 32 22.345 -18.195 -3.618 226 HE3 LYS 32 HE3 LYS 32 20.841 -19.063 -3.925 227 HZ1 LYS 32 HZ1 LYS 32 22.226 -19.567 -6.161 228 HZ2 LYS 32 HZ2 LYS 32 22.202 -20.585 -4.811 229 HZ3 LYS 32 HZ3 LYS 32 23.478 -19.496 -5.025 230 H TYR 33 H TYR 33 16.482 -17.908 -5.336 231 HA TYR 33 HA TYR 33 14.268 -17.636 -3.549 232 HB2 TYR 33 HB2 TYR 33 13.238 -19.393 -4.826 233 HB3 TYR 33 HB3 TYR 33 14.076 -18.329 -5.949 234 HD1 TYR 33 HD1 TYR 33 16.195 -19.064 -7.002 235 HD2 TYR 33 HD2 TYR 33 13.882 -21.680 -4.571 236 HE1 TYR 33 HE1 TYR 33 17.412 -20.990 -7.927 237 HE2 TYR 33 HE2 TYR 33 15.093 -23.613 -5.489 238 HH TYR 33 HH TYR 33 16.387 -24.084 -7.723 239 H LYS 34 H LYS 34 13.795 -18.739 -1.748 240 HA LYS 34 HA LYS 34 15.648 -20.879 -0.936 241 HB2 LYS 34 HB2 LYS 34 14.528 -18.578 0.465 242 HB3 LYS 34 HB3 LYS 34 14.295 -20.082 1.346 243 HG2 LYS 34 HG2 LYS 34 16.965 -19.219 0.274 244 HG3 LYS 34 HG3 LYS 34 16.385 -18.788 1.884 245 HD2 LYS 34 HD2 LYS 34 16.149 -21.638 1.237 246 HD3 LYS 34 HD3 LYS 34 17.809 -21.037 1.282 247 HE2 LYS 34 HE2 LYS 34 17.627 -21.458 3.487 248 HE3 LYS 34 HE3 LYS 34 16.814 -19.893 3.515 249 HZ1 LYS 34 HZ1 LYS 34 14.906 -20.845 4.082 250 HZ2 LYS 34 HZ2 LYS 34 15.774 -22.267 4.371 251 HZ3 LYS 34 HZ3 LYS 34 15.023 -22.024 2.874 252 H ILE 35 H ILE 35 14.876 -22.855 -0.464 253 HA ILE 35 HA ILE 35 11.949 -23.195 -0.377 254 HB ILE 35 HB ILE 35 13.860 -25.255 -1.464 255 HG12 ILE 35 HG12 ILE 35 12.240 -23.210 -2.998 256 HG13 ILE 35 HG13 ILE 35 13.995 -23.241 -2.861 257 HG21 ILE 35 HG21 ILE 35 11.146 -25.283 -2.454 258 HG22 ILE 35 HG22 ILE 35 12.072 -26.562 -1.669 259 HG23 ILE 35 HG23 ILE 35 11.192 -25.386 -0.694 260 HD11 ILE 35 HD11 ILE 35 12.310 -25.371 -4.157 261 HD12 ILE 35 HD12 ILE 35 13.220 -24.117 -5.002 262 HD13 ILE 35 HD13 ILE 35 14.071 -25.343 -4.062 263 H TRP 36 H TRP 36 11.175 -24.162 1.379 264 HA TRP 36 HA TRP 36 12.928 -25.006 3.469 265 HB2 TRP 36 HB2 TRP 36 9.922 -25.229 3.200 266 HB3 TRP 36 HB3 TRP 36 10.829 -25.574 4.671 267 HD1 TRP 36 HD1 TRP 36 8.884 -22.904 3.208 268 HE1 TRP 36 HE1 TRP 36 9.449 -20.622 4.258 269 HE3 TRP 36 HE3 TRP 36 13.258 -24.148 5.544 270 HZ2 TRP 36 HZ2 TRP 36 11.481 -19.500 5.865 271 HZ3 TRP 36 HZ3 TRP 36 14.451 -22.413 6.816 272 HH2 TRP 36 HH2 TRP 36 13.579 -20.137 6.971 Start of MODEL 16 1 H SER 1 H SER 1 -0.083 -1.479 -3.353 2 HA SER 1 HA SER 1 0.816 -3.251 -5.531 3 HB2 SER 1 HB2 SER 1 2.392 -1.516 -6.200 4 HB3 SER 1 HB3 SER 1 0.758 -0.853 -6.172 5 HG SER 1 HG SER 1 1.355 -0.165 -3.945 6 H GLU 2 H GLU 2 3.203 -3.678 -5.487 7 HA GLU 2 HA GLU 2 4.203 -3.856 -2.723 8 HB2 GLU 2 HB2 GLU 2 4.245 -5.975 -4.872 9 HB3 GLU 2 HB3 GLU 2 5.254 -6.050 -3.434 10 HG2 GLU 2 HG2 GLU 2 3.026 -5.784 -2.149 11 HG3 GLU 2 HG3 GLU 2 2.287 -6.284 -3.669 12 H ASP 3 H ASP 3 6.299 -3.330 -2.405 13 HA ASP 3 HA ASP 3 7.905 -2.694 -4.793 14 HB2 ASP 3 HB2 ASP 3 8.051 -1.278 -2.126 15 HB3 ASP 3 HB3 ASP 3 8.880 -0.830 -3.614 16 H CYS 4 H CYS 4 8.843 -4.786 -4.735 17 HA CYS 4 HA CYS 4 10.961 -5.021 -2.722 18 HB2 CYS 4 HB2 CYS 4 10.552 -7.498 -2.645 19 HB3 CYS 4 HB3 CYS 4 9.278 -6.527 -1.913 20 H LEU 5 H LEU 5 12.792 -6.247 -3.402 21 HA LEU 5 HA LEU 5 13.367 -5.937 -6.190 22 HB2 LEU 5 HB2 LEU 5 14.918 -7.120 -3.899 23 HB3 LEU 5 HB3 LEU 5 15.546 -7.032 -5.544 24 HG LEU 5 HG LEU 5 14.707 -4.613 -3.953 25 HD11 LEU 5 HD11 LEU 5 16.498 -5.158 -2.686 26 HD12 LEU 5 HD12 LEU 5 17.376 -4.429 -4.029 27 HD13 LEU 5 HD13 LEU 5 17.210 -6.182 -3.932 28 HD21 LEU 5 HD21 LEU 5 15.306 -5.001 -6.669 29 HD22 LEU 5 HD22 LEU 5 16.709 -4.200 -5.962 30 HD23 LEU 5 HD23 LEU 5 15.110 -3.472 -5.812 31 H GLY 6 H GLY 6 13.897 -7.562 -7.692 32 HA2 GLY 6 HA2 GLY 6 12.398 -10.026 -7.287 33 HA3 GLY 6 HA3 GLY 6 13.085 -9.459 -8.803 34 H ALA 7 H ALA 7 13.571 -11.905 -8.707 35 HA ALA 7 HA ALA 7 15.656 -12.833 -7.030 36 HB1 ALA 7 HB1 ALA 7 14.097 -14.348 -8.140 37 HB2 ALA 7 HB2 ALA 7 14.758 -13.888 -9.708 38 HB3 ALA 7 HB3 ALA 7 15.768 -14.743 -8.543 39 H PHE 8 H PHE 8 17.840 -12.963 -7.330 40 HA PHE 8 HA PHE 8 19.910 -12.415 -8.094 41 HB2 PHE 8 HB2 PHE 8 18.635 -12.220 -10.827 42 HB3 PHE 8 HB3 PHE 8 20.332 -12.515 -10.461 43 HD1 PHE 8 HD1 PHE 8 17.792 -14.084 -11.874 44 HD2 PHE 8 HD2 PHE 8 20.283 -14.577 -8.458 45 HE1 PHE 8 HE1 PHE 8 17.376 -16.509 -11.924 46 HE2 PHE 8 HE2 PHE 8 19.871 -17.002 -8.504 47 HZ PHE 8 HZ PHE 8 18.415 -17.971 -10.237 48 H SER 9 H SER 9 17.866 -10.340 -7.388 49 HA SER 9 HA SER 9 18.658 -8.061 -9.010 50 HB2 SER 9 HB2 SER 9 16.314 -8.239 -8.321 51 HB3 SER 9 HB3 SER 9 16.799 -8.240 -6.625 52 HG SER 9 HG SER 9 17.189 -6.133 -8.488 53 H ARG 10 H ARG 10 19.635 -6.174 -8.137 54 HA ARG 10 HA ARG 10 21.845 -6.650 -6.488 55 HB2 ARG 10 HB2 ARG 10 21.312 -4.712 -8.182 56 HB3 ARG 10 HB3 ARG 10 20.697 -3.900 -6.749 57 HG2 ARG 10 HG2 ARG 10 22.897 -4.231 -5.669 58 HG3 ARG 10 HG3 ARG 10 23.495 -4.924 -7.178 59 HD2 ARG 10 HD2 ARG 10 23.287 -2.886 -8.323 60 HD3 ARG 10 HD3 ARG 10 22.249 -2.196 -7.078 61 HE ARG 10 HE ARG 10 24.882 -2.860 -6.141 62 HH11 ARG 10 HH11 ARG 10 22.925 -0.438 -7.697 63 HH12 ARG 10 HH12 ARG 10 23.953 0.879 -7.233 64 HH21 ARG 10 HH21 ARG 10 26.243 -1.137 -5.523 65 HH22 ARG 10 HH22 ARG 10 25.839 0.479 -5.997 66 H CYS 11 H CYS 11 22.091 -6.728 -4.353 67 HA CYS 11 HA CYS 11 20.549 -5.156 -2.538 68 HB2 CYS 11 HB2 CYS 11 19.312 -6.864 -1.422 69 HB3 CYS 11 HB3 CYS 11 18.954 -7.019 -3.138 70 H SER 12 H SER 12 21.197 -5.493 -0.294 71 HA SER 12 HA SER 12 23.893 -6.667 -0.124 72 HB2 SER 12 HB2 SER 12 22.685 -4.196 1.036 73 HB3 SER 12 HB3 SER 12 23.923 -5.033 1.974 74 HG SER 12 HG SER 12 24.504 -3.328 0.276 75 HA PRO 13 HA PRO 13 22.649 -9.450 3.030 76 HB2 PRO 13 HB2 PRO 13 24.777 -9.410 4.715 77 HB3 PRO 13 HB3 PRO 13 24.829 -10.170 3.120 78 HG2 PRO 13 HG2 PRO 13 25.822 -7.477 3.967 79 HG3 PRO 13 HG3 PRO 13 26.596 -8.674 2.912 80 HD2 PRO 13 HD2 PRO 13 25.290 -6.509 1.944 81 HD3 PRO 13 HD3 PRO 13 25.340 -8.060 1.081 82 H LYS 14 H LYS 14 23.795 -6.298 4.118 83 HA LYS 14 HA LYS 14 22.502 -6.573 6.699 84 HB2 LYS 14 HB2 LYS 14 24.718 -5.264 6.028 85 HB3 LYS 14 HB3 LYS 14 23.573 -3.962 5.741 86 HG2 LYS 14 HG2 LYS 14 23.433 -5.439 8.318 87 HG3 LYS 14 HG3 LYS 14 24.730 -4.267 8.073 88 HD2 LYS 14 HD2 LYS 14 21.896 -3.522 7.466 89 HD3 LYS 14 HD3 LYS 14 22.481 -3.497 9.131 90 HE2 LYS 14 HE2 LYS 14 24.310 -1.996 8.430 91 HE3 LYS 14 HE3 LYS 14 23.649 -1.983 6.796 92 HZ1 LYS 14 HZ1 LYS 14 22.757 -0.578 9.158 93 HZ2 LYS 14 HZ2 LYS 14 21.512 -1.292 8.262 94 HZ3 LYS 14 HZ3 LYS 14 22.557 -0.186 7.523 95 H ASN 15 H ASN 15 22.020 -4.858 3.661 96 HA ASN 15 HA ASN 15 19.451 -3.849 4.687 97 HB2 ASN 15 HB2 ASN 15 21.300 -2.265 3.744 98 HB3 ASN 15 HB3 ASN 15 20.737 -2.832 2.174 99 HD21 ASN 15 HD21 ASN 15 19.443 -1.408 1.288 100 HD22 ASN 15 HD22 ASN 15 18.228 -0.486 2.100 101 H ASP 16 H ASP 16 19.718 -6.531 3.847 102 HA ASP 16 HA ASP 16 19.023 -7.028 1.191 103 HB2 ASP 16 HB2 ASP 16 19.629 -8.933 2.378 104 HB3 ASP 16 HB3 ASP 16 18.615 -8.519 3.758 105 H LYS 17 H LYS 17 17.411 -5.990 0.193 106 HA LYS 17 HA LYS 17 14.771 -5.970 1.503 107 HB2 LYS 17 HB2 LYS 17 15.747 -3.708 1.287 108 HB3 LYS 17 HB3 LYS 17 15.866 -3.940 -0.453 109 HG2 LYS 17 HG2 LYS 17 13.925 -2.745 -0.310 110 HG3 LYS 17 HG3 LYS 17 13.296 -4.393 -0.264 111 HD2 LYS 17 HD2 LYS 17 13.601 -4.082 2.332 112 HD3 LYS 17 HD3 LYS 17 13.497 -2.370 1.916 113 HE2 LYS 17 HE2 LYS 17 11.285 -2.806 2.240 114 HE3 LYS 17 HE3 LYS 17 11.406 -3.215 0.529 115 HZ1 LYS 17 HZ1 LYS 17 11.376 -5.474 0.987 116 HZ2 LYS 17 HZ2 LYS 17 10.247 -4.855 2.083 117 HZ3 LYS 17 HZ3 LYS 17 11.800 -5.269 2.612 118 H CYS 18 H CYS 18 14.761 -8.159 0.407 119 HA CYS 18 HA CYS 18 13.839 -7.864 -2.376 120 HB2 CYS 18 HB2 CYS 18 15.184 -10.259 -1.108 121 HB3 CYS 18 HB3 CYS 18 14.578 -10.185 -2.760 122 H CYS 19 H CYS 19 12.168 -9.372 -3.054 123 HA CYS 19 HA CYS 19 9.925 -9.382 -1.484 124 HB2 CYS 19 HB2 CYS 19 10.798 -10.873 -3.878 125 HB3 CYS 19 HB3 CYS 19 9.477 -11.609 -2.976 126 HA PRO 20 HA PRO 20 10.184 -12.560 1.529 127 HB2 PRO 20 HB2 PRO 20 7.731 -13.717 1.423 128 HB3 PRO 20 HB3 PRO 20 8.003 -12.102 2.087 129 HG2 PRO 20 HG2 PRO 20 7.006 -12.892 -0.623 130 HG3 PRO 20 HG3 PRO 20 6.425 -11.608 0.452 131 HD2 PRO 20 HD2 PRO 20 8.049 -11.117 -1.659 132 HD3 PRO 20 HD3 PRO 20 8.105 -10.157 -0.167 133 H ASN 21 H ASN 21 10.154 -14.880 1.926 134 HA ASN 21 HA ASN 21 10.577 -17.054 1.399 135 HB2 ASN 21 HB2 ASN 21 9.474 -16.648 -1.363 136 HB3 ASN 21 HB3 ASN 21 9.379 -18.070 -0.328 137 HD21 ASN 21 HD21 ASN 21 7.674 -15.553 -1.564 138 HD22 ASN 21 HD22 ASN 21 6.383 -15.487 -0.417 139 H TYR 22 H TYR 22 12.299 -14.684 0.527 140 HA TYR 22 HA TYR 22 14.003 -16.191 -1.347 141 HB2 TYR 22 HB2 TYR 22 13.424 -13.241 -1.198 142 HB3 TYR 22 HB3 TYR 22 14.874 -13.852 -1.985 143 HD1 TYR 22 HD1 TYR 22 11.379 -13.179 -2.343 144 HD2 TYR 22 HD2 TYR 22 14.581 -15.506 -3.906 145 HE1 TYR 22 HE1 TYR 22 10.096 -13.547 -4.409 146 HE2 TYR 22 HE2 TYR 22 13.307 -15.879 -5.976 147 HH TYR 22 HH TYR 22 10.012 -14.619 -6.359 148 H LYS 23 H LYS 23 16.315 -14.917 -1.255 149 HA LYS 23 HA LYS 23 17.096 -14.326 1.471 150 HB2 LYS 23 HB2 LYS 23 17.149 -16.926 0.917 151 HB3 LYS 23 HB3 LYS 23 18.683 -16.492 0.175 152 HG2 LYS 23 HG2 LYS 23 19.281 -15.402 2.383 153 HG3 LYS 23 HG3 LYS 23 17.868 -16.222 3.051 154 HD2 LYS 23 HD2 LYS 23 19.591 -17.709 3.511 155 HD3 LYS 23 HD3 LYS 23 18.913 -18.351 2.013 156 HE2 LYS 23 HE2 LYS 23 21.102 -16.363 1.785 157 HE3 LYS 23 HE3 LYS 23 21.528 -17.974 2.359 158 HZ1 LYS 23 HZ1 LYS 23 21.446 -18.706 0.288 159 HZ2 LYS 23 HZ2 LYS 23 21.077 -17.152 -0.266 160 HZ3 LYS 23 HZ3 LYS 23 19.832 -18.224 0.137 161 H CYS 24 H CYS 24 18.998 -13.172 1.611 162 HA CYS 24 HA CYS 24 20.197 -12.410 -0.969 163 HB2 CYS 24 HB2 CYS 24 18.966 -10.667 0.484 164 HB3 CYS 24 HB3 CYS 24 20.367 -10.766 1.546 165 H SER 25 H SER 25 21.980 -13.617 -1.223 166 HA SER 25 HA SER 25 23.699 -14.199 1.055 167 HB2 SER 25 HB2 SER 25 23.193 -15.400 -1.543 168 HB3 SER 25 HB3 SER 25 24.920 -15.214 -1.242 169 HG SER 25 HG SER 25 24.801 -16.572 0.414 170 H SER 26 H SER 26 25.652 -13.308 1.421 171 HA SER 26 HA SER 26 26.325 -10.871 0.130 172 HB2 SER 26 HB2 SER 26 27.970 -10.637 1.747 173 HB3 SER 26 HB3 SER 26 26.853 -11.734 2.559 174 HG SER 26 HG SER 26 29.414 -12.170 1.665 175 H LYS 27 H LYS 27 27.105 -14.159 -0.473 176 HA LYS 27 HA LYS 27 29.593 -14.046 -1.661 177 HB2 LYS 27 HB2 LYS 27 27.982 -16.052 -1.270 178 HB3 LYS 27 HB3 LYS 27 27.388 -15.677 -2.882 179 HG2 LYS 27 HG2 LYS 27 29.366 -16.278 -3.899 180 HG3 LYS 27 HG3 LYS 27 30.316 -16.034 -2.431 181 HD2 LYS 27 HD2 LYS 27 30.151 -18.391 -2.843 182 HD3 LYS 27 HD3 LYS 27 29.159 -18.004 -1.435 183 HE2 LYS 27 HE2 LYS 27 27.883 -17.999 -4.124 184 HE3 LYS 27 HE3 LYS 27 28.259 -19.550 -3.375 185 HZ1 LYS 27 HZ1 LYS 27 26.204 -19.217 -2.520 186 HZ2 LYS 27 HZ2 LYS 27 26.307 -17.530 -2.586 187 HZ3 LYS 27 HZ3 LYS 27 27.081 -18.374 -1.342 188 H ASP 28 H ASP 28 26.487 -13.845 -3.410 189 HA ASP 28 HA ASP 28 27.885 -12.483 -5.600 190 HB2 ASP 28 HB2 ASP 28 25.488 -14.212 -5.412 191 HB3 ASP 28 HB3 ASP 28 25.398 -12.894 -6.577 192 H LEU 29 H LEU 29 25.860 -11.866 -2.963 193 HA LEU 29 HA LEU 29 24.824 -9.991 -2.202 194 HB2 LEU 29 HB2 LEU 29 26.095 -8.537 -4.510 195 HB3 LEU 29 HB3 LEU 29 25.555 -7.863 -2.973 196 HG LEU 29 HG LEU 29 27.771 -9.876 -3.054 197 HD11 LEU 29 HD11 LEU 29 27.837 -7.326 -4.316 198 HD12 LEU 29 HD12 LEU 29 29.139 -8.498 -4.120 199 HD13 LEU 29 HD13 LEU 29 28.860 -7.276 -2.881 200 HD21 LEU 29 HD21 LEU 29 26.595 -9.097 -0.932 201 HD22 LEU 29 HD22 LEU 29 27.373 -7.538 -1.211 202 HD23 LEU 29 HD23 LEU 29 28.355 -8.984 -0.965 203 H TRP 30 H TRP 30 23.322 -11.649 -3.803 204 HA TRP 30 HA TRP 30 21.497 -9.718 -5.041 205 HB2 TRP 30 HB2 TRP 30 21.059 -11.299 -6.897 206 HB3 TRP 30 HB3 TRP 30 22.720 -10.713 -6.891 207 HD1 TRP 30 HD1 TRP 30 22.394 -13.274 -4.273 208 HE1 TRP 30 HE1 TRP 30 23.305 -15.538 -5.089 209 HE3 TRP 30 HE3 TRP 30 22.733 -12.257 -9.271 210 HZ2 TRP 30 HZ2 TRP 30 24.069 -16.735 -7.529 211 HZ3 TRP 30 HZ3 TRP 30 23.564 -14.015 -10.779 212 HH2 TRP 30 HH2 TRP 30 24.218 -16.206 -9.924 213 H CYS 31 H CYS 31 19.457 -11.270 -5.792 214 HA CYS 31 HA CYS 31 18.553 -12.410 -3.250 215 HB2 CYS 31 HB2 CYS 31 16.861 -11.798 -5.674 216 HB3 CYS 31 HB3 CYS 31 16.320 -12.057 -4.018 217 H LYS 32 H LYS 32 17.921 -14.496 -3.023 218 HA LYS 32 HA LYS 32 17.836 -16.207 -5.402 219 HB2 LYS 32 HB2 LYS 32 19.401 -16.846 -2.894 220 HB3 LYS 32 HB3 LYS 32 19.176 -17.927 -4.263 221 HG2 LYS 32 HG2 LYS 32 20.224 -15.859 -5.564 222 HG3 LYS 32 HG3 LYS 32 20.933 -15.563 -3.975 223 HD2 LYS 32 HD2 LYS 32 21.049 -18.300 -5.175 224 HD3 LYS 32 HD3 LYS 32 22.189 -17.059 -5.700 225 HE2 LYS 32 HE2 LYS 32 23.339 -18.083 -3.976 226 HE3 LYS 32 HE3 LYS 32 22.586 -16.715 -3.158 227 HZ1 LYS 32 HZ1 LYS 32 21.223 -19.326 -3.243 228 HZ2 LYS 32 HZ2 LYS 32 21.052 -18.069 -2.123 229 HZ3 LYS 32 HZ3 LYS 32 22.437 -19.040 -2.099 230 H TYR 33 H TYR 33 16.306 -17.774 -5.342 231 HA TYR 33 HA TYR 33 14.291 -17.620 -3.336 232 HB2 TYR 33 HB2 TYR 33 13.104 -19.242 -4.625 233 HB3 TYR 33 HB3 TYR 33 13.912 -18.176 -5.768 234 HD1 TYR 33 HD1 TYR 33 15.867 -18.973 -7.039 235 HD2 TYR 33 HD2 TYR 33 13.697 -21.563 -4.453 236 HE1 TYR 33 HE1 TYR 33 16.917 -20.919 -8.117 237 HE2 TYR 33 HE2 TYR 33 14.742 -23.516 -5.522 238 HH TYR 33 HH TYR 33 15.922 -23.733 -8.202 239 H LYS 34 H LYS 34 13.943 -18.847 -1.582 240 HA LYS 34 HA LYS 34 15.813 -21.070 -1.088 241 HB2 LYS 34 HB2 LYS 34 14.972 -18.809 0.551 242 HB3 LYS 34 HB3 LYS 34 14.765 -20.349 1.377 243 HG2 LYS 34 HG2 LYS 34 17.330 -19.431 0.093 244 HG3 LYS 34 HG3 LYS 34 16.948 -19.277 1.810 245 HD2 LYS 34 HD2 LYS 34 16.866 -21.643 2.083 246 HD3 LYS 34 HD3 LYS 34 16.944 -21.906 0.339 247 HE2 LYS 34 HE2 LYS 34 19.140 -20.497 1.825 248 HE3 LYS 34 HE3 LYS 34 19.085 -22.255 1.706 249 HZ1 LYS 34 HZ1 LYS 34 19.906 -22.152 -0.333 250 HZ2 LYS 34 HZ2 LYS 34 20.116 -20.484 -0.147 251 HZ3 LYS 34 HZ3 LYS 34 18.696 -21.086 -0.841 252 H ILE 35 H ILE 35 15.007 -23.039 -0.669 253 HA ILE 35 HA ILE 35 12.100 -23.268 -0.232 254 HB ILE 35 HB ILE 35 13.761 -25.333 -1.664 255 HG12 ILE 35 HG12 ILE 35 12.090 -23.116 -2.868 256 HG13 ILE 35 HG13 ILE 35 13.843 -23.244 -2.946 257 HG21 ILE 35 HG21 ILE 35 11.897 -26.544 -1.696 258 HG22 ILE 35 HG22 ILE 35 11.179 -25.362 -0.603 259 HG23 ILE 35 HG23 ILE 35 10.968 -25.194 -2.346 260 HD11 ILE 35 HD11 ILE 35 11.867 -25.146 -4.182 261 HD12 ILE 35 HD12 ILE 35 12.838 -23.942 -5.030 262 HD13 ILE 35 HD13 ILE 35 13.622 -25.309 -4.240 263 H TRP 36 H TRP 36 11.503 -24.311 1.550 264 HA TRP 36 HA TRP 36 13.394 -26.192 2.792 265 HB2 TRP 36 HB2 TRP 36 13.581 -24.161 4.071 266 HB3 TRP 36 HB3 TRP 36 11.830 -24.005 4.171 267 HD1 TRP 36 HD1 TRP 36 10.556 -25.540 5.945 268 HE1 TRP 36 HE1 TRP 36 11.383 -26.851 8.000 269 HE3 TRP 36 HE3 TRP 36 15.571 -25.518 4.956 270 HZ2 TRP 36 HZ2 TRP 36 13.838 -27.755 9.061 271 HZ3 TRP 36 HZ3 TRP 36 17.091 -26.627 6.542 272 HH2 TRP 36 HH2 TRP 36 16.241 -27.722 8.551 Start of MODEL 17 1 H SER 1 H SER 1 2.627 2.187 -2.045 2 HA SER 1 HA SER 1 2.012 -0.638 -2.314 3 HB2 SER 1 HB2 SER 1 2.925 -0.354 -4.616 4 HB3 SER 1 HB3 SER 1 1.624 0.778 -4.248 5 HG SER 1 HG SER 1 2.983 2.294 -4.718 6 H GLU 2 H GLU 2 3.370 -2.197 -1.759 7 HA GLU 2 HA GLU 2 6.084 -1.578 -1.001 8 HB2 GLU 2 HB2 GLU 2 4.374 -4.043 -0.895 9 HB3 GLU 2 HB3 GLU 2 6.106 -4.146 -0.612 10 HG2 GLU 2 HG2 GLU 2 5.034 -3.984 1.499 11 HG3 GLU 2 HG3 GLU 2 5.845 -2.450 1.191 12 H ASP 3 H ASP 3 7.719 -1.550 -2.378 13 HA ASP 3 HA ASP 3 7.538 -3.177 -4.824 14 HB2 ASP 3 HB2 ASP 3 9.328 -0.788 -4.352 15 HB3 ASP 3 HB3 ASP 3 9.015 -1.601 -5.882 16 H CYS 4 H CYS 4 8.297 -5.061 -3.718 17 HA CYS 4 HA CYS 4 10.934 -5.032 -2.536 18 HB2 CYS 4 HB2 CYS 4 10.564 -7.453 -2.221 19 HB3 CYS 4 HB3 CYS 4 9.228 -6.493 -1.591 20 H LEU 5 H LEU 5 12.717 -6.282 -3.294 21 HA LEU 5 HA LEU 5 13.062 -6.114 -6.138 22 HB2 LEU 5 HB2 LEU 5 14.837 -7.139 -3.932 23 HB3 LEU 5 HB3 LEU 5 15.319 -7.079 -5.626 24 HG LEU 5 HG LEU 5 14.556 -4.664 -3.988 25 HD11 LEU 5 HD11 LEU 5 16.534 -5.048 -2.991 26 HD12 LEU 5 HD12 LEU 5 17.195 -4.391 -4.488 27 HD13 LEU 5 HD13 LEU 5 17.087 -6.137 -4.263 28 HD21 LEU 5 HD21 LEU 5 14.248 -3.976 -6.146 29 HD22 LEU 5 HD22 LEU 5 15.423 -5.120 -6.798 30 HD23 LEU 5 HD23 LEU 5 15.975 -3.663 -5.969 31 H GLY 6 H GLY 6 13.522 -7.822 -7.573 32 HA2 GLY 6 HA2 GLY 6 12.059 -10.246 -6.977 33 HA3 GLY 6 HA3 GLY 6 12.792 -9.818 -8.517 34 H ALA 7 H ALA 7 13.743 -11.818 -8.835 35 HA ALA 7 HA ALA 7 15.608 -12.815 -6.827 36 HB1 ALA 7 HB1 ALA 7 15.077 -14.814 -7.626 37 HB2 ALA 7 HB2 ALA 7 13.961 -14.035 -8.748 38 HB3 ALA 7 HB3 ALA 7 15.624 -14.356 -9.239 39 H PHE 8 H PHE 8 17.809 -13.059 -7.157 40 HA PHE 8 HA PHE 8 19.883 -12.496 -7.898 41 HB2 PHE 8 HB2 PHE 8 18.349 -12.885 -10.430 42 HB3 PHE 8 HB3 PHE 8 19.963 -12.190 -10.527 43 HD1 PHE 8 HD1 PHE 8 18.627 -14.833 -8.276 44 HD2 PHE 8 HD2 PHE 8 21.302 -13.841 -11.435 45 HE1 PHE 8 HE1 PHE 8 19.599 -17.088 -8.156 46 HE2 PHE 8 HE2 PHE 8 22.278 -16.096 -11.321 47 HZ PHE 8 HZ PHE 8 21.428 -17.723 -9.680 48 H SER 9 H SER 9 17.803 -10.405 -7.280 49 HA SER 9 HA SER 9 18.614 -8.160 -8.933 50 HB2 SER 9 HB2 SER 9 16.247 -8.582 -7.972 51 HB3 SER 9 HB3 SER 9 16.908 -7.957 -6.460 52 HG SER 9 HG SER 9 17.144 -6.548 -8.901 53 H ARG 10 H ARG 10 19.594 -6.256 -8.102 54 HA ARG 10 HA ARG 10 21.808 -6.698 -6.448 55 HB2 ARG 10 HB2 ARG 10 20.492 -4.307 -7.632 56 HB3 ARG 10 HB3 ARG 10 21.625 -4.035 -6.316 57 HG2 ARG 10 HG2 ARG 10 23.429 -4.741 -7.535 58 HG3 ARG 10 HG3 ARG 10 22.454 -5.776 -8.581 59 HD2 ARG 10 HD2 ARG 10 22.177 -2.790 -8.640 60 HD3 ARG 10 HD3 ARG 10 23.432 -3.611 -9.568 61 HE ARG 10 HE ARG 10 20.958 -4.825 -10.104 62 HH11 ARG 10 HH11 ARG 10 22.655 -1.838 -10.668 63 HH12 ARG 10 HH12 ARG 10 21.821 -1.492 -12.147 64 HH21 ARG 10 HH21 ARG 10 19.855 -4.382 -12.050 65 HH22 ARG 10 HH22 ARG 10 20.229 -2.940 -12.932 66 H CYS 11 H CYS 11 21.991 -6.849 -4.319 67 HA CYS 11 HA CYS 11 20.483 -5.202 -2.523 68 HB2 CYS 11 HB2 CYS 11 19.233 -6.888 -1.387 69 HB3 CYS 11 HB3 CYS 11 18.877 -7.062 -3.103 70 H SER 12 H SER 12 21.199 -5.382 -0.328 71 HA SER 12 HA SER 12 23.892 -6.539 -0.141 72 HB2 SER 12 HB2 SER 12 24.367 -4.477 0.628 73 HB3 SER 12 HB3 SER 12 22.661 -4.078 0.825 74 HG SER 12 HG SER 12 24.439 -4.673 2.706 75 HA PRO 13 HA PRO 13 22.768 -9.511 2.882 76 HB2 PRO 13 HB2 PRO 13 24.881 -9.436 4.585 77 HB3 PRO 13 HB3 PRO 13 24.981 -10.126 2.960 78 HG2 PRO 13 HG2 PRO 13 25.832 -7.424 3.928 79 HG3 PRO 13 HG3 PRO 13 26.672 -8.535 2.831 80 HD2 PRO 13 HD2 PRO 13 25.265 -6.400 1.943 81 HD3 PRO 13 HD3 PRO 13 25.398 -7.908 1.016 82 H LYS 14 H LYS 14 23.747 -6.354 4.110 83 HA LYS 14 HA LYS 14 22.372 -6.814 6.638 84 HB2 LYS 14 HB2 LYS 14 23.789 -4.317 5.698 85 HB3 LYS 14 HB3 LYS 14 23.304 -4.703 7.344 86 HG2 LYS 14 HG2 LYS 14 24.884 -6.597 7.331 87 HG3 LYS 14 HG3 LYS 14 25.409 -6.113 5.717 88 HD2 LYS 14 HD2 LYS 14 25.997 -3.873 6.687 89 HD3 LYS 14 HD3 LYS 14 25.679 -4.556 8.283 90 HE2 LYS 14 HE2 LYS 14 27.610 -5.822 6.360 91 HE3 LYS 14 HE3 LYS 14 28.100 -4.538 7.466 92 HZ1 LYS 14 HZ1 LYS 14 28.545 -6.329 8.756 93 HZ2 LYS 14 HZ2 LYS 14 27.367 -7.306 8.038 94 HZ3 LYS 14 HZ3 LYS 14 26.918 -6.141 9.179 95 H ASN 15 H ASN 15 22.074 -4.880 3.711 96 HA ASN 15 HA ASN 15 19.494 -3.855 4.684 97 HB2 ASN 15 HB2 ASN 15 21.244 -2.843 2.431 98 HB3 ASN 15 HB3 ASN 15 19.710 -2.135 2.926 99 HD21 ASN 15 HD21 ASN 15 23.063 -2.424 3.581 100 HD22 ASN 15 HD22 ASN 15 23.126 -1.316 4.906 101 H ASP 16 H ASP 16 19.738 -6.523 3.745 102 HA ASP 16 HA ASP 16 19.053 -6.874 1.055 103 HB2 ASP 16 HB2 ASP 16 19.656 -8.849 2.112 104 HB3 ASP 16 HB3 ASP 16 18.679 -8.505 3.537 105 H LYS 17 H LYS 17 17.355 -6.121 -0.004 106 HA LYS 17 HA LYS 17 14.760 -6.010 1.385 107 HB2 LYS 17 HB2 LYS 17 15.711 -3.743 1.128 108 HB3 LYS 17 HB3 LYS 17 15.813 -3.994 -0.610 109 HG2 LYS 17 HG2 LYS 17 13.817 -3.011 -0.690 110 HG3 LYS 17 HG3 LYS 17 13.185 -4.550 -0.099 111 HD2 LYS 17 HD2 LYS 17 12.434 -3.497 1.710 112 HD3 LYS 17 HD3 LYS 17 14.104 -3.145 2.160 113 HE2 LYS 17 HE2 LYS 17 13.977 -0.998 1.463 114 HE3 LYS 17 HE3 LYS 17 12.925 -1.391 0.104 115 HZ1 LYS 17 HZ1 LYS 17 11.130 -0.874 1.281 116 HZ2 LYS 17 HZ2 LYS 17 12.166 -0.182 2.426 117 HZ3 LYS 17 HZ3 LYS 17 11.632 -1.775 2.623 118 H CYS 18 H CYS 18 14.742 -8.210 0.316 119 HA CYS 18 HA CYS 18 13.771 -7.953 -2.455 120 HB2 CYS 18 HB2 CYS 18 15.160 -10.318 -1.176 121 HB3 CYS 18 HB3 CYS 18 14.509 -10.286 -2.812 122 H CYS 19 H CYS 19 12.096 -9.478 -3.086 123 HA CYS 19 HA CYS 19 9.879 -9.478 -1.480 124 HB2 CYS 19 HB2 CYS 19 10.714 -10.944 -3.888 125 HB3 CYS 19 HB3 CYS 19 9.471 -11.756 -2.944 126 HA PRO 20 HA PRO 20 10.200 -12.613 1.572 127 HB2 PRO 20 HB2 PRO 20 7.753 -13.787 1.516 128 HB3 PRO 20 HB3 PRO 20 8.024 -12.161 2.154 129 HG2 PRO 20 HG2 PRO 20 6.994 -12.995 -0.529 130 HG3 PRO 20 HG3 PRO 20 6.420 -11.699 0.537 131 HD2 PRO 20 HD2 PRO 20 8.010 -11.229 -1.605 132 HD3 PRO 20 HD3 PRO 20 8.083 -10.247 -0.127 133 H ASN 21 H ASN 21 10.194 -14.926 2.002 134 HA ASN 21 HA ASN 21 10.614 -17.107 1.499 135 HB2 ASN 21 HB2 ASN 21 9.482 -16.727 -1.258 136 HB3 ASN 21 HB3 ASN 21 9.418 -18.148 -0.220 137 HD21 ASN 21 HD21 ASN 21 8.208 -17.770 1.881 138 HD22 ASN 21 HD22 ASN 21 6.721 -16.900 1.758 139 H TYR 22 H TYR 22 12.306 -14.724 0.559 140 HA TYR 22 HA TYR 22 13.999 -16.245 -1.314 141 HB2 TYR 22 HB2 TYR 22 13.419 -13.297 -1.152 142 HB3 TYR 22 HB3 TYR 22 14.875 -13.897 -1.937 143 HD1 TYR 22 HD1 TYR 22 11.358 -13.282 -2.283 144 HD2 TYR 22 HD2 TYR 22 14.615 -15.500 -3.887 145 HE1 TYR 22 HE1 TYR 22 10.082 -13.648 -4.353 146 HE2 TYR 22 HE2 TYR 22 13.347 -15.872 -5.963 147 HH TYR 22 HH TYR 22 10.481 -15.838 -6.398 148 H LYS 23 H LYS 23 16.316 -14.979 -1.239 149 HA LYS 23 HA LYS 23 17.130 -14.388 1.473 150 HB2 LYS 23 HB2 LYS 23 17.177 -16.852 1.423 151 HB3 LYS 23 HB3 LYS 23 18.249 -16.800 0.031 152 HG2 LYS 23 HG2 LYS 23 19.849 -15.489 1.509 153 HG3 LYS 23 HG3 LYS 23 18.826 -15.984 2.860 154 HD2 LYS 23 HD2 LYS 23 20.368 -17.679 2.873 155 HD3 LYS 23 HD3 LYS 23 19.152 -18.372 1.796 156 HE2 LYS 23 HE2 LYS 23 20.423 -17.658 -0.141 157 HE3 LYS 23 HE3 LYS 23 21.605 -16.862 0.897 158 HZ1 LYS 23 HZ1 LYS 23 22.593 -18.800 1.405 159 HZ2 LYS 23 HZ2 LYS 23 21.894 -19.333 -0.039 160 HZ3 LYS 23 HZ3 LYS 23 21.145 -19.675 1.439 161 H CYS 24 H CYS 24 18.983 -13.186 1.569 162 HA CYS 24 HA CYS 24 20.191 -12.490 -1.023 163 HB2 CYS 24 HB2 CYS 24 19.003 -10.711 0.394 164 HB3 CYS 24 HB3 CYS 24 20.373 -10.841 1.493 165 H SER 25 H SER 25 22.059 -13.490 -1.356 166 HA SER 25 HA SER 25 23.747 -14.224 0.910 167 HB2 SER 25 HB2 SER 25 23.306 -15.254 -1.782 168 HB3 SER 25 HB3 SER 25 25.020 -15.098 -1.399 169 HG SER 25 HG SER 25 24.630 -16.986 -0.502 170 H SER 26 H SER 26 25.638 -13.276 1.384 171 HA SER 26 HA SER 26 26.300 -10.782 0.198 172 HB2 SER 26 HB2 SER 26 27.733 -10.525 1.955 173 HB3 SER 26 HB3 SER 26 26.808 -11.876 2.610 174 HG SER 26 HG SER 26 28.428 -13.266 1.696 175 H LYS 27 H LYS 27 27.154 -14.024 -0.506 176 HA LYS 27 HA LYS 27 29.687 -13.822 -1.591 177 HB2 LYS 27 HB2 LYS 27 28.060 -15.861 -1.337 178 HB3 LYS 27 HB3 LYS 27 27.593 -15.451 -2.983 179 HG2 LYS 27 HG2 LYS 27 29.983 -15.637 -3.642 180 HG3 LYS 27 HG3 LYS 27 30.340 -16.208 -2.011 181 HD2 LYS 27 HD2 LYS 27 29.085 -18.173 -2.309 182 HD3 LYS 27 HD3 LYS 27 28.271 -17.536 -3.740 183 HE2 LYS 27 HE2 LYS 27 31.225 -18.116 -3.582 184 HE3 LYS 27 HE3 LYS 27 30.029 -19.240 -4.226 185 HZ1 LYS 27 HZ1 LYS 27 31.264 -17.029 -5.498 186 HZ2 LYS 27 HZ2 LYS 27 29.583 -16.840 -5.510 187 HZ3 LYS 27 HZ3 LYS 27 30.282 -18.233 -6.168 188 H ASP 28 H ASP 28 26.642 -13.621 -3.442 189 HA ASP 28 HA ASP 28 28.087 -12.137 -5.521 190 HB2 ASP 28 HB2 ASP 28 25.677 -13.889 -5.509 191 HB3 ASP 28 HB3 ASP 28 25.742 -12.591 -6.699 192 H LEU 29 H LEU 29 25.973 -11.676 -2.940 193 HA LEU 29 HA LEU 29 24.847 -9.864 -2.154 194 HB2 LEU 29 HB2 LEU 29 26.080 -8.304 -4.409 195 HB3 LEU 29 HB3 LEU 29 25.491 -7.690 -2.866 196 HG LEU 29 HG LEU 29 27.791 -9.604 -2.946 197 HD11 LEU 29 HD11 LEU 29 27.852 -7.242 -4.361 198 HD12 LEU 29 HD12 LEU 29 29.250 -8.126 -3.750 199 HD13 LEU 29 HD13 LEU 29 28.559 -6.807 -2.806 200 HD21 LEU 29 HD21 LEU 29 27.029 -7.355 -1.085 201 HD22 LEU 29 HD22 LEU 29 28.390 -8.459 -0.883 202 HD23 LEU 29 HD23 LEU 29 26.737 -9.071 -0.800 203 H TRP 30 H TRP 30 23.411 -11.540 -3.758 204 HA TRP 30 HA TRP 30 21.548 -9.668 -5.031 205 HB2 TRP 30 HB2 TRP 30 21.168 -11.302 -6.868 206 HB3 TRP 30 HB3 TRP 30 22.797 -10.632 -6.867 207 HD1 TRP 30 HD1 TRP 30 22.483 -13.219 -4.237 208 HE1 TRP 30 HE1 TRP 30 23.554 -15.426 -5.015 209 HE3 TRP 30 HE3 TRP 30 23.050 -12.138 -9.201 210 HZ2 TRP 30 HZ2 TRP 30 24.512 -16.559 -7.417 211 HZ3 TRP 30 HZ3 TRP 30 24.052 -13.837 -10.671 212 HH2 TRP 30 HH2 TRP 30 24.768 -16.001 -9.796 213 H CYS 31 H CYS 31 19.554 -11.270 -5.785 214 HA CYS 31 HA CYS 31 18.653 -12.412 -3.245 215 HB2 CYS 31 HB2 CYS 31 16.970 -11.874 -5.692 216 HB3 CYS 31 HB3 CYS 31 16.421 -12.121 -4.037 217 H LYS 32 H LYS 32 17.815 -14.483 -3.072 218 HA LYS 32 HA LYS 32 18.005 -16.228 -5.419 219 HB2 LYS 32 HB2 LYS 32 19.283 -16.794 -2.738 220 HB3 LYS 32 HB3 LYS 32 19.134 -17.963 -4.042 221 HG2 LYS 32 HG2 LYS 32 20.364 -15.551 -5.002 222 HG3 LYS 32 HG3 LYS 32 21.225 -16.172 -3.592 223 HD2 LYS 32 HD2 LYS 32 20.452 -17.933 -5.902 224 HD3 LYS 32 HD3 LYS 32 21.966 -17.026 -5.877 225 HE2 LYS 32 HE2 LYS 32 22.719 -18.947 -4.936 226 HE3 LYS 32 HE3 LYS 32 22.130 -18.163 -3.471 227 HZ1 LYS 32 HZ1 LYS 32 21.418 -20.623 -4.277 228 HZ2 LYS 32 HZ2 LYS 32 20.140 -19.701 -4.892 229 HZ3 LYS 32 HZ3 LYS 32 20.497 -19.655 -3.239 230 H TYR 33 H TYR 33 16.500 -17.835 -5.497 231 HA TYR 33 HA TYR 33 14.272 -17.620 -3.695 232 HB2 TYR 33 HB2 TYR 33 13.185 -19.230 -5.140 233 HB3 TYR 33 HB3 TYR 33 14.001 -18.026 -6.133 234 HD1 TYR 33 HD1 TYR 33 16.037 -18.619 -7.378 235 HD2 TYR 33 HD2 TYR 33 13.875 -21.531 -5.154 236 HE1 TYR 33 HE1 TYR 33 17.222 -20.408 -8.581 237 HE2 TYR 33 HE2 TYR 33 15.054 -23.328 -6.349 238 HH TYR 33 HH TYR 33 17.392 -23.492 -7.585 239 H LYS 34 H LYS 34 13.833 -18.829 -1.968 240 HA LYS 34 HA LYS 34 15.207 -21.401 -1.635 241 HB2 LYS 34 HB2 LYS 34 15.356 -19.015 0.127 242 HB3 LYS 34 HB3 LYS 34 15.197 -20.576 0.921 243 HG2 LYS 34 HG2 LYS 34 17.320 -19.936 -1.111 244 HG3 LYS 34 HG3 LYS 34 17.540 -19.792 0.634 245 HD2 LYS 34 HD2 LYS 34 16.850 -22.228 0.780 246 HD3 LYS 34 HD3 LYS 34 17.013 -22.280 -0.977 247 HE2 LYS 34 HE2 LYS 34 19.358 -21.490 -0.719 248 HE3 LYS 34 HE3 LYS 34 19.166 -21.616 1.029 249 HZ1 LYS 34 HZ1 LYS 34 18.350 -24.042 0.096 250 HZ2 LYS 34 HZ2 LYS 34 19.857 -23.701 0.784 251 HZ3 LYS 34 HZ3 LYS 34 19.669 -23.671 -0.896 252 H ILE 35 H ILE 35 14.008 -22.988 -0.693 253 HA ILE 35 HA ILE 35 11.393 -22.260 0.430 254 HB ILE 35 HB ILE 35 10.460 -24.328 -0.721 255 HG12 ILE 35 HG12 ILE 35 12.447 -23.979 -2.884 256 HG13 ILE 35 HG13 ILE 35 13.032 -24.800 -1.440 257 HG21 ILE 35 HG21 ILE 35 9.678 -23.070 -2.495 258 HG22 ILE 35 HG22 ILE 35 10.198 -21.827 -1.359 259 HG23 ILE 35 HG23 ILE 35 11.222 -22.252 -2.731 260 HD11 ILE 35 HD11 ILE 35 11.706 -25.956 -3.552 261 HD12 ILE 35 HD12 ILE 35 11.949 -26.668 -1.956 262 HD13 ILE 35 HD13 ILE 35 10.457 -25.802 -2.317 263 H TRP 36 H TRP 36 11.038 -23.193 2.330 264 HA TRP 36 HA TRP 36 12.503 -25.669 2.973 265 HB2 TRP 36 HB2 TRP 36 13.503 -23.887 4.239 266 HB3 TRP 36 HB3 TRP 36 11.925 -23.297 4.753 267 HD1 TRP 36 HD1 TRP 36 10.704 -24.610 6.729 268 HE1 TRP 36 HE1 TRP 36 11.573 -26.274 8.490 269 HE3 TRP 36 HE3 TRP 36 15.194 -25.786 4.589 270 HZ2 TRP 36 HZ2 TRP 36 13.860 -27.873 8.916 271 HZ3 TRP 36 HZ3 TRP 36 16.664 -27.391 5.737 272 HH2 TRP 36 HH2 TRP 36 16.009 -28.411 7.856 Start of MODEL 18 1 H SER 1 H SER 1 0.462 0.815 -1.138 2 HA SER 1 HA SER 1 0.654 -1.404 -2.977 3 HB2 SER 1 HB2 SER 1 2.274 0.038 -4.173 4 HB3 SER 1 HB3 SER 1 0.758 0.877 -3.845 5 HG SER 1 HG SER 1 2.287 2.288 -3.216 6 H GLU 2 H GLU 2 2.770 -2.325 -3.582 7 HA GLU 2 HA GLU 2 4.737 -2.356 -1.414 8 HB2 GLU 2 HB2 GLU 2 3.386 -4.790 -2.583 9 HB3 GLU 2 HB3 GLU 2 4.876 -4.866 -1.652 10 HG2 GLU 2 HG2 GLU 2 2.371 -3.622 -0.568 11 HG3 GLU 2 HG3 GLU 2 2.715 -5.344 -0.420 12 H ASP 3 H ASP 3 6.820 -2.579 -2.076 13 HA ASP 3 HA ASP 3 7.334 -3.283 -4.874 14 HB2 ASP 3 HB2 ASP 3 7.364 -0.955 -5.093 15 HB3 ASP 3 HB3 ASP 3 8.084 -0.720 -3.502 16 H CYS 4 H CYS 4 8.534 -5.063 -4.654 17 HA CYS 4 HA CYS 4 10.816 -4.964 -2.791 18 HB2 CYS 4 HB2 CYS 4 10.593 -7.497 -2.744 19 HB3 CYS 4 HB3 CYS 4 9.335 -6.592 -1.910 20 H LEU 5 H LEU 5 12.593 -6.514 -3.436 21 HA LEU 5 HA LEU 5 13.214 -6.052 -6.234 22 HB2 LEU 5 HB2 LEU 5 14.772 -6.981 -3.853 23 HB3 LEU 5 HB3 LEU 5 15.419 -7.177 -5.481 24 HG LEU 5 HG LEU 5 14.622 -4.528 -4.278 25 HD11 LEU 5 HD11 LEU 5 17.223 -4.285 -4.374 26 HD12 LEU 5 HD12 LEU 5 17.189 -6.044 -4.249 27 HD13 LEU 5 HD13 LEU 5 16.448 -5.056 -2.990 28 HD21 LEU 5 HD21 LEU 5 15.434 -5.414 -6.926 29 HD22 LEU 5 HD22 LEU 5 16.462 -4.129 -6.291 30 HD23 LEU 5 HD23 LEU 5 14.718 -3.886 -6.412 31 H GLY 6 H GLY 6 13.646 -7.635 -7.755 32 HA2 GLY 6 HA2 GLY 6 12.306 -10.161 -7.300 33 HA3 GLY 6 HA3 GLY 6 12.990 -9.598 -8.818 34 H ALA 7 H ALA 7 13.633 -11.952 -8.810 35 HA ALA 7 HA ALA 7 15.718 -12.801 -7.055 36 HB1 ALA 7 HB1 ALA 7 15.969 -14.627 -8.853 37 HB2 ALA 7 HB2 ALA 7 14.464 -14.551 -7.936 38 HB3 ALA 7 HB3 ALA 7 14.531 -13.904 -9.574 39 H PHE 8 H PHE 8 17.913 -12.966 -7.424 40 HA PHE 8 HA PHE 8 19.961 -12.384 -8.223 41 HB2 PHE 8 HB2 PHE 8 18.674 -12.040 -10.929 42 HB3 PHE 8 HB3 PHE 8 20.343 -12.470 -10.569 43 HD1 PHE 8 HD1 PHE 8 16.975 -13.678 -11.049 44 HD2 PHE 8 HD2 PHE 8 20.868 -14.723 -9.680 45 HE1 PHE 8 HE1 PHE 8 16.389 -16.063 -11.212 46 HE2 PHE 8 HE2 PHE 8 20.288 -17.109 -9.841 47 HZ PHE 8 HZ PHE 8 18.046 -17.781 -10.607 48 H SER 9 H SER 9 17.853 -10.346 -7.456 49 HA SER 9 HA SER 9 18.631 -8.007 -8.990 50 HB2 SER 9 HB2 SER 9 16.753 -8.370 -6.646 51 HB3 SER 9 HB3 SER 9 17.067 -6.816 -7.417 52 HG SER 9 HG SER 9 15.961 -7.423 -9.139 53 H ARG 10 H ARG 10 19.671 -6.181 -8.118 54 HA ARG 10 HA ARG 10 21.863 -6.707 -6.460 55 HB2 ARG 10 HB2 ARG 10 21.729 -4.848 -8.107 56 HB3 ARG 10 HB3 ARG 10 20.610 -4.018 -7.036 57 HG2 ARG 10 HG2 ARG 10 22.306 -3.806 -5.344 58 HG3 ARG 10 HG3 ARG 10 23.430 -4.773 -6.304 59 HD2 ARG 10 HD2 ARG 10 22.987 -2.942 -8.118 60 HD3 ARG 10 HD3 ARG 10 22.479 -1.975 -6.734 61 HE ARG 10 HE ARG 10 24.924 -3.026 -6.044 62 HH11 ARG 10 HH11 ARG 10 23.679 -1.005 -8.591 63 HH12 ARG 10 HH12 ARG 10 25.165 -0.142 -8.810 64 HH21 ARG 10 HH21 ARG 10 26.887 -1.897 -6.325 65 HH22 ARG 10 HH22 ARG 10 26.989 -0.651 -7.522 66 H CYS 11 H CYS 11 22.128 -6.739 -4.321 67 HA CYS 11 HA CYS 11 20.594 -5.159 -2.515 68 HB2 CYS 11 HB2 CYS 11 19.341 -6.854 -1.392 69 HB3 CYS 11 HB3 CYS 11 18.978 -7.003 -3.109 70 H SER 12 H SER 12 21.220 -5.522 -0.259 71 HA SER 12 HA SER 12 23.907 -6.717 -0.084 72 HB2 SER 12 HB2 SER 12 22.727 -4.230 1.071 73 HB3 SER 12 HB3 SER 12 23.959 -5.077 2.005 74 HG SER 12 HG SER 12 24.552 -3.381 0.304 75 HA PRO 13 HA PRO 13 22.623 -9.472 3.078 76 HB2 PRO 13 HB2 PRO 13 24.747 -9.451 4.768 77 HB3 PRO 13 HB3 PRO 13 24.793 -10.218 3.177 78 HG2 PRO 13 HG2 PRO 13 25.816 -7.532 4.016 79 HG3 PRO 13 HG3 PRO 13 26.579 -8.743 2.968 80 HD2 PRO 13 HD2 PRO 13 25.301 -6.567 1.988 81 HD3 PRO 13 HD3 PRO 13 25.335 -8.122 1.131 82 H LYS 14 H LYS 14 23.803 -6.329 4.155 83 HA LYS 14 HA LYS 14 22.512 -6.577 6.739 84 HB2 LYS 14 HB2 LYS 14 24.730 -5.310 6.122 85 HB3 LYS 14 HB3 LYS 14 23.633 -4.004 5.695 86 HG2 LYS 14 HG2 LYS 14 23.432 -5.335 8.365 87 HG3 LYS 14 HG3 LYS 14 24.644 -4.087 8.068 88 HD2 LYS 14 HD2 LYS 14 22.651 -2.706 7.158 89 HD3 LYS 14 HD3 LYS 14 21.655 -3.866 8.040 90 HE2 LYS 14 HE2 LYS 14 23.167 -3.329 10.046 91 HE3 LYS 14 HE3 LYS 14 23.681 -1.926 9.109 92 HZ1 LYS 14 HZ1 LYS 14 21.742 -0.887 9.452 93 HZ2 LYS 14 HZ2 LYS 14 21.572 -1.949 10.757 94 HZ3 LYS 14 HZ3 LYS 14 20.817 -2.293 9.283 95 H ASN 15 H ASN 15 22.019 -4.886 3.690 96 HA ASN 15 HA ASN 15 19.450 -3.877 4.716 97 HB2 ASN 15 HB2 ASN 15 21.227 -2.856 2.496 98 HB3 ASN 15 HB3 ASN 15 19.587 -2.273 2.767 99 HD21 ASN 15 HD21 ASN 15 22.138 -0.860 2.898 100 HD22 ASN 15 HD22 ASN 15 22.225 -0.184 4.486 101 H ASP 16 H ASP 16 19.711 -6.554 3.880 102 HA ASP 16 HA ASP 16 19.023 -7.047 1.218 103 HB2 ASP 16 HB2 ASP 16 19.638 -8.953 2.403 104 HB3 ASP 16 HB3 ASP 16 18.619 -8.547 3.781 105 H LYS 17 H LYS 17 17.407 -6.020 0.220 106 HA LYS 17 HA LYS 17 14.768 -6.006 1.534 107 HB2 LYS 17 HB2 LYS 17 16.021 -3.758 1.103 108 HB3 LYS 17 HB3 LYS 17 15.531 -4.006 -0.568 109 HG2 LYS 17 HG2 LYS 17 13.162 -4.291 0.396 110 HG3 LYS 17 HG3 LYS 17 13.826 -3.529 1.843 111 HD2 LYS 17 HD2 LYS 17 13.918 -2.355 -0.936 112 HD3 LYS 17 HD3 LYS 17 12.755 -1.911 0.315 113 HE2 LYS 17 HE2 LYS 17 14.647 -1.229 1.763 114 HE3 LYS 17 HE3 LYS 17 15.751 -1.575 0.433 115 HZ1 LYS 17 HZ1 LYS 17 15.346 0.714 0.339 116 HZ2 LYS 17 HZ2 LYS 17 13.683 0.534 0.586 117 HZ3 LYS 17 HZ3 LYS 17 14.373 0.064 -0.885 118 H CYS 18 H CYS 18 14.765 -8.196 0.439 119 HA CYS 18 HA CYS 18 13.838 -7.903 -2.345 120 HB2 CYS 18 HB2 CYS 18 15.195 -10.293 -1.079 121 HB3 CYS 18 HB3 CYS 18 14.586 -10.222 -2.729 122 H CYS 19 H CYS 19 12.172 -9.419 -3.020 123 HA CYS 19 HA CYS 19 9.931 -9.438 -1.448 124 HB2 CYS 19 HB2 CYS 19 10.807 -10.916 -3.847 125 HB3 CYS 19 HB3 CYS 19 9.505 -11.676 -2.939 126 HA PRO 20 HA PRO 20 10.208 -12.610 1.568 127 HB2 PRO 20 HB2 PRO 20 7.759 -13.777 1.468 128 HB3 PRO 20 HB3 PRO 20 8.025 -12.160 2.130 129 HG2 PRO 20 HG2 PRO 20 7.028 -12.958 -0.578 130 HG3 PRO 20 HG3 PRO 20 6.443 -11.673 0.497 131 HD2 PRO 20 HD2 PRO 20 8.062 -11.181 -1.617 132 HD3 PRO 20 HD3 PRO 20 8.117 -10.217 -0.127 133 H ASN 21 H ASN 21 10.191 -14.929 1.970 134 HA ASN 21 HA ASN 21 10.620 -17.102 1.445 135 HB2 ASN 21 HB2 ASN 21 9.493 -16.680 -1.308 136 HB3 ASN 21 HB3 ASN 21 9.443 -18.125 -0.304 137 HD21 ASN 21 HD21 ASN 21 7.581 -15.810 -1.547 138 HD22 ASN 21 HD22 ASN 21 6.338 -15.723 -0.350 139 H TYR 22 H TYR 22 12.331 -14.725 0.566 140 HA TYR 22 HA TYR 22 14.039 -16.231 -1.306 141 HB2 TYR 22 HB2 TYR 22 13.440 -13.284 -1.171 142 HB3 TYR 22 HB3 TYR 22 14.896 -13.888 -1.954 143 HD1 TYR 22 HD1 TYR 22 11.396 -13.243 -2.319 144 HD2 TYR 22 HD2 TYR 22 14.618 -15.550 -3.870 145 HE1 TYR 22 HE1 TYR 22 10.117 -13.632 -4.383 146 HE2 TYR 22 HE2 TYR 22 13.348 -15.944 -5.938 147 HH TYR 22 HH TYR 22 11.380 -15.705 -6.964 148 H LYS 23 H LYS 23 16.345 -14.945 -1.223 149 HA LYS 23 HA LYS 23 17.125 -14.336 1.498 150 HB2 LYS 23 HB2 LYS 23 17.704 -16.926 0.198 151 HB3 LYS 23 HB3 LYS 23 19.074 -16.150 0.980 152 HG2 LYS 23 HG2 LYS 23 16.442 -16.734 2.320 153 HG3 LYS 23 HG3 LYS 23 17.886 -17.742 2.439 154 HD2 LYS 23 HD2 LYS 23 19.049 -15.578 3.238 155 HD3 LYS 23 HD3 LYS 23 17.410 -14.986 3.519 156 HE2 LYS 23 HE2 LYS 23 18.421 -17.593 4.631 157 HE3 LYS 23 HE3 LYS 23 18.572 -16.064 5.495 158 HZ1 LYS 23 HZ1 LYS 23 16.614 -17.100 6.264 159 HZ2 LYS 23 HZ2 LYS 23 16.077 -17.452 4.699 160 HZ3 LYS 23 HZ3 LYS 23 16.103 -15.850 5.243 161 H CYS 24 H CYS 24 19.030 -13.180 1.632 162 HA CYS 24 HA CYS 24 20.216 -12.417 -0.955 163 HB2 CYS 24 HB2 CYS 24 18.986 -10.674 0.493 164 HB3 CYS 24 HB3 CYS 24 20.382 -10.770 1.560 165 H SER 25 H SER 25 22.003 -13.615 -1.216 166 HA SER 25 HA SER 25 23.732 -14.189 1.055 167 HB2 SER 25 HB2 SER 25 23.270 -15.355 -1.590 168 HB3 SER 25 HB3 SER 25 24.979 -15.240 -1.173 169 HG SER 25 HG SER 25 22.938 -16.718 0.038 170 H SER 26 H SER 26 25.693 -13.304 1.404 171 HA SER 26 HA SER 26 26.350 -10.860 0.115 172 HB2 SER 26 HB2 SER 26 28.302 -10.830 1.570 173 HB3 SER 26 HB3 SER 26 26.891 -11.351 2.489 174 HG SER 26 HG SER 26 29.160 -12.603 2.294 175 H LYS 27 H LYS 27 27.142 -14.148 -0.496 176 HA LYS 27 HA LYS 27 29.613 -14.022 -1.713 177 HB2 LYS 27 HB2 LYS 27 28.004 -16.032 -1.307 178 HB3 LYS 27 HB3 LYS 27 27.409 -15.663 -2.920 179 HG2 LYS 27 HG2 LYS 27 29.029 -17.336 -3.205 180 HG3 LYS 27 HG3 LYS 27 29.811 -15.833 -3.699 181 HD2 LYS 27 HD2 LYS 27 31.462 -16.619 -2.358 182 HD3 LYS 27 HD3 LYS 27 30.489 -15.839 -1.109 183 HE2 LYS 27 HE2 LYS 27 29.877 -18.660 -1.834 184 HE3 LYS 27 HE3 LYS 27 31.313 -18.336 -0.864 185 HZ1 LYS 27 HZ1 LYS 27 30.020 -18.174 0.905 186 HZ2 LYS 27 HZ2 LYS 27 28.637 -18.436 -0.032 187 HZ3 LYS 27 HZ3 LYS 27 29.205 -16.862 0.215 188 H ASP 28 H ASP 28 26.486 -13.836 -3.428 189 HA ASP 28 HA ASP 28 27.852 -12.474 -5.637 190 HB2 ASP 28 HB2 ASP 28 25.488 -14.227 -5.415 191 HB3 ASP 28 HB3 ASP 28 25.322 -12.886 -6.545 192 H LEU 29 H LEU 29 25.870 -11.850 -2.971 193 HA LEU 29 HA LEU 29 24.842 -9.975 -2.198 194 HB2 LEU 29 HB2 LEU 29 26.111 -8.536 -4.517 195 HB3 LEU 29 HB3 LEU 29 25.559 -7.843 -2.992 196 HG LEU 29 HG LEU 29 27.738 -9.878 -2.941 197 HD11 LEU 29 HD11 LEU 29 29.084 -7.491 -3.020 198 HD12 LEU 29 HD12 LEU 29 27.881 -7.302 -4.295 199 HD13 LEU 29 HD13 LEU 29 28.996 -8.668 -4.330 200 HD21 LEU 29 HD21 LEU 29 26.805 -9.073 -0.850 201 HD22 LEU 29 HD22 LEU 29 27.120 -7.404 -1.329 202 HD23 LEU 29 HD23 LEU 29 28.465 -8.508 -1.039 203 H TRP 30 H TRP 30 23.333 -11.634 -3.810 204 HA TRP 30 HA TRP 30 21.488 -9.696 -5.007 205 HB2 TRP 30 HB2 TRP 30 21.045 -11.244 -6.884 206 HB3 TRP 30 HB3 TRP 30 22.708 -10.666 -6.877 207 HD1 TRP 30 HD1 TRP 30 22.411 -13.253 -4.290 208 HE1 TRP 30 HE1 TRP 30 23.298 -15.513 -5.145 209 HE3 TRP 30 HE3 TRP 30 22.664 -12.189 -9.283 210 HZ2 TRP 30 HZ2 TRP 30 24.011 -16.689 -7.609 211 HZ3 TRP 30 HZ3 TRP 30 23.460 -13.937 -10.823 212 HH2 TRP 30 HH2 TRP 30 24.119 -16.138 -10.002 213 H CYS 31 H CYS 31 19.452 -11.254 -5.765 214 HA CYS 31 HA CYS 31 18.565 -12.415 -3.228 215 HB2 CYS 31 HB2 CYS 31 16.863 -11.825 -5.650 216 HB3 CYS 31 HB3 CYS 31 16.329 -12.083 -3.991 217 H LYS 32 H LYS 32 17.983 -14.510 -2.996 218 HA LYS 32 HA LYS 32 17.989 -16.223 -5.385 219 HB2 LYS 32 HB2 LYS 32 19.530 -16.612 -2.830 220 HB3 LYS 32 HB3 LYS 32 19.107 -17.973 -3.860 221 HG2 LYS 32 HG2 LYS 32 20.235 -16.021 -5.541 222 HG3 LYS 32 HG3 LYS 32 21.265 -16.120 -4.110 223 HD2 LYS 32 HD2 LYS 32 22.048 -17.695 -5.758 224 HD3 LYS 32 HD3 LYS 32 21.352 -18.580 -4.398 225 HE2 LYS 32 HE2 LYS 32 20.555 -19.640 -6.356 226 HE3 LYS 32 HE3 LYS 32 19.210 -18.691 -5.729 227 HZ1 LYS 32 HZ1 LYS 32 19.795 -16.944 -7.338 228 HZ2 LYS 32 HZ2 LYS 32 19.365 -18.397 -8.090 229 HZ3 LYS 32 HZ3 LYS 32 20.993 -17.949 -7.984 230 H TYR 33 H TYR 33 16.501 -17.851 -5.401 231 HA TYR 33 HA TYR 33 14.329 -17.655 -3.549 232 HB2 TYR 33 HB2 TYR 33 13.262 -19.356 -4.902 233 HB3 TYR 33 HB3 TYR 33 14.023 -18.173 -5.960 234 HD1 TYR 33 HD1 TYR 33 16.039 -18.760 -7.233 235 HD2 TYR 33 HD2 TYR 33 14.036 -21.634 -4.818 236 HE1 TYR 33 HE1 TYR 33 17.252 -20.564 -8.384 237 HE2 TYR 33 HE2 TYR 33 15.244 -23.446 -5.961 238 HH TYR 33 HH TYR 33 16.898 -23.942 -7.388 239 H LYS 34 H LYS 34 13.916 -18.833 -1.787 240 HA LYS 34 HA LYS 34 15.372 -21.342 -1.365 241 HB2 LYS 34 HB2 LYS 34 15.518 -18.880 0.285 242 HB3 LYS 34 HB3 LYS 34 15.400 -20.405 1.154 243 HG2 LYS 34 HG2 LYS 34 17.441 -19.983 -1.000 244 HG3 LYS 34 HG3 LYS 34 17.727 -19.479 0.667 245 HD2 LYS 34 HD2 LYS 34 16.982 -21.925 1.221 246 HD3 LYS 34 HD3 LYS 34 17.418 -22.228 -0.462 247 HE2 LYS 34 HE2 LYS 34 19.391 -22.686 0.660 248 HE3 LYS 34 HE3 LYS 34 19.624 -21.017 0.148 249 HZ1 LYS 34 HZ1 LYS 34 18.440 -21.526 2.782 250 HZ2 LYS 34 HZ2 LYS 34 19.406 -20.236 2.268 251 HZ3 LYS 34 HZ3 LYS 34 20.107 -21.742 2.592 252 H ILE 35 H ILE 35 14.226 -22.910 -0.333 253 HA ILE 35 HA ILE 35 11.656 -22.197 0.882 254 HB ILE 35 HB ILE 35 10.649 -24.235 -0.245 255 HG12 ILE 35 HG12 ILE 35 13.040 -23.851 -2.060 256 HG13 ILE 35 HG13 ILE 35 12.746 -25.244 -1.024 257 HG21 ILE 35 HG21 ILE 35 10.236 -21.818 -0.843 258 HG22 ILE 35 HG22 ILE 35 11.397 -22.033 -2.152 259 HG23 ILE 35 HG23 ILE 35 9.916 -22.991 -2.121 260 HD11 ILE 35 HD11 ILE 35 10.979 -24.396 -3.307 261 HD12 ILE 35 HD12 ILE 35 12.205 -25.663 -3.382 262 HD13 ILE 35 HD13 ILE 35 10.809 -25.848 -2.319 263 H TRP 36 H TRP 36 11.407 -23.146 2.790 264 HA TRP 36 HA TRP 36 12.948 -25.597 3.344 265 HB2 TRP 36 HB2 TRP 36 12.485 -23.142 4.978 266 HB3 TRP 36 HB3 TRP 36 12.627 -24.686 5.813 267 HD1 TRP 36 HD1 TRP 36 14.709 -23.556 2.754 268 HE1 TRP 36 HE1 TRP 36 17.193 -23.579 3.429 269 HE3 TRP 36 HE3 TRP 36 14.194 -24.712 7.708 270 HZ2 TRP 36 HZ2 TRP 36 18.730 -24.030 5.754 271 HZ3 TRP 36 HZ3 TRP 36 16.219 -24.922 9.087 272 HH2 TRP 36 HH2 TRP 36 18.440 -24.587 8.128 Start of MODEL 19 1 H SER 1 H SER 1 -0.870 -0.839 -3.182 2 HA SER 1 HA SER 1 0.426 -2.961 -4.294 3 HB2 SER 1 HB2 SER 1 2.144 -1.123 -5.075 4 HB3 SER 1 HB3 SER 1 0.471 -1.069 -5.630 5 HG SER 1 HG SER 1 1.313 0.958 -4.815 6 H GLU 2 H GLU 2 2.712 -3.546 -4.391 7 HA GLU 2 HA GLU 2 4.082 -3.143 -1.814 8 HB2 GLU 2 HB2 GLU 2 4.985 -5.447 -2.071 9 HB3 GLU 2 HB3 GLU 2 3.239 -5.399 -1.869 10 HG2 GLU 2 HG2 GLU 2 4.385 -5.458 -4.616 11 HG3 GLU 2 HG3 GLU 2 4.330 -6.941 -3.665 12 H ASP 3 H ASP 3 6.416 -3.318 -1.881 13 HA ASP 3 HA ASP 3 7.613 -2.952 -4.533 14 HB2 ASP 3 HB2 ASP 3 7.177 -0.850 -2.698 15 HB3 ASP 3 HB3 ASP 3 8.902 -1.204 -2.648 16 H CYS 4 H CYS 4 8.838 -4.748 -4.588 17 HA CYS 4 HA CYS 4 10.994 -4.959 -2.640 18 HB2 CYS 4 HB2 CYS 4 10.607 -7.398 -2.352 19 HB3 CYS 4 HB3 CYS 4 9.313 -6.413 -1.679 20 H LEU 5 H LEU 5 12.792 -6.179 -3.381 21 HA LEU 5 HA LEU 5 13.156 -6.046 -6.220 22 HB2 LEU 5 HB2 LEU 5 14.876 -6.906 -3.921 23 HB3 LEU 5 HB3 LEU 5 15.395 -7.148 -5.587 24 HG LEU 5 HG LEU 5 14.764 -4.482 -4.321 25 HD11 LEU 5 HD11 LEU 5 17.306 -4.235 -4.798 26 HD12 LEU 5 HD12 LEU 5 17.302 -5.997 -4.748 27 HD13 LEU 5 HD13 LEU 5 16.767 -5.075 -3.344 28 HD21 LEU 5 HD21 LEU 5 15.035 -5.331 -7.061 29 HD22 LEU 5 HD22 LEU 5 16.292 -4.168 -6.636 30 HD23 LEU 5 HD23 LEU 5 14.592 -3.751 -6.412 31 H GLY 6 H GLY 6 13.535 -7.739 -7.661 32 HA2 GLY 6 HA2 GLY 6 12.095 -10.162 -7.059 33 HA3 GLY 6 HA3 GLY 6 12.852 -9.748 -8.590 34 H ALA 7 H ALA 7 13.760 -11.792 -8.852 35 HA ALA 7 HA ALA 7 15.614 -12.759 -6.821 36 HB1 ALA 7 HB1 ALA 7 14.916 -14.734 -7.546 37 HB2 ALA 7 HB2 ALA 7 14.019 -13.971 -8.859 38 HB3 ALA 7 HB3 ALA 7 15.707 -14.422 -9.090 39 H PHE 8 H PHE 8 17.813 -13.062 -7.156 40 HA PHE 8 HA PHE 8 19.896 -12.544 -7.906 41 HB2 PHE 8 HB2 PHE 8 18.349 -12.921 -10.433 42 HB3 PHE 8 HB3 PHE 8 19.978 -12.262 -10.536 43 HD1 PHE 8 HD1 PHE 8 18.570 -14.866 -8.283 44 HD2 PHE 8 HD2 PHE 8 21.299 -13.940 -11.414 45 HE1 PHE 8 HE1 PHE 8 19.493 -17.143 -8.146 46 HE2 PHE 8 HE2 PHE 8 22.227 -16.215 -11.284 47 HZ PHE 8 HZ PHE 8 21.323 -17.820 -9.649 48 H SER 9 H SER 9 17.852 -10.411 -7.306 49 HA SER 9 HA SER 9 18.692 -8.194 -8.977 50 HB2 SER 9 HB2 SER 9 16.335 -8.639 -7.858 51 HB3 SER 9 HB3 SER 9 17.074 -7.802 -6.494 52 HG SER 9 HG SER 9 16.520 -6.848 -9.083 53 H ARG 10 H ARG 10 19.759 -6.329 -8.207 54 HA ARG 10 HA ARG 10 21.956 -6.805 -6.542 55 HB2 ARG 10 HB2 ARG 10 21.553 -4.956 -8.328 56 HB3 ARG 10 HB3 ARG 10 20.869 -4.044 -6.990 57 HG2 ARG 10 HG2 ARG 10 22.890 -3.804 -5.937 58 HG3 ARG 10 HG3 ARG 10 23.567 -5.258 -6.671 59 HD2 ARG 10 HD2 ARG 10 23.499 -4.028 -8.874 60 HD3 ARG 10 HD3 ARG 10 23.115 -2.574 -7.956 61 HE ARG 10 HE ARG 10 25.475 -3.920 -7.029 62 HH11 ARG 10 HH11 ARG 10 24.210 -1.629 -9.326 63 HH12 ARG 10 HH12 ARG 10 25.724 -0.814 -9.543 64 HH21 ARG 10 HH21 ARG 10 27.473 -2.855 -7.307 65 HH22 ARG 10 HH22 ARG 10 27.579 -1.512 -8.394 66 H CYS 11 H CYS 11 22.089 -6.969 -4.411 67 HA CYS 11 HA CYS 11 20.631 -5.200 -2.669 68 HB2 CYS 11 HB2 CYS 11 19.392 -6.859 -1.459 69 HB3 CYS 11 HB3 CYS 11 18.996 -7.043 -3.164 70 H SER 12 H SER 12 21.220 -5.549 -0.371 71 HA SER 12 HA SER 12 23.939 -6.665 -0.172 72 HB2 SER 12 HB2 SER 12 22.701 -4.182 0.873 73 HB3 SER 12 HB3 SER 12 23.821 -5.009 1.955 74 HG SER 12 HG SER 12 24.303 -3.664 -0.408 75 HA PRO 13 HA PRO 13 22.715 -9.460 2.979 76 HB2 PRO 13 HB2 PRO 13 24.823 -9.374 4.687 77 HB3 PRO 13 HB3 PRO 13 24.907 -10.139 3.095 78 HG2 PRO 13 HG2 PRO 13 25.839 -7.423 3.943 79 HG3 PRO 13 HG3 PRO 13 26.647 -8.609 2.901 80 HD2 PRO 13 HD2 PRO 13 25.310 -6.474 1.910 81 HD3 PRO 13 HD3 PRO 13 25.399 -8.025 1.054 82 H LYS 14 H LYS 14 23.790 -6.283 4.067 83 HA LYS 14 HA LYS 14 22.450 -6.578 6.628 84 HB2 LYS 14 HB2 LYS 14 23.329 -4.353 7.118 85 HB3 LYS 14 HB3 LYS 14 24.605 -5.407 6.524 86 HG2 LYS 14 HG2 LYS 14 24.126 -4.364 4.230 87 HG3 LYS 14 HG3 LYS 14 23.259 -3.121 5.137 88 HD2 LYS 14 HD2 LYS 14 25.270 -2.623 6.413 89 HD3 LYS 14 HD3 LYS 14 26.142 -3.906 5.570 90 HE2 LYS 14 HE2 LYS 14 26.792 -1.972 4.447 91 HE3 LYS 14 HE3 LYS 14 25.518 -2.635 3.424 92 HZ1 LYS 14 HZ1 LYS 14 24.668 -0.587 3.554 93 HZ2 LYS 14 HZ2 LYS 14 25.582 -0.168 4.915 94 HZ3 LYS 14 HZ3 LYS 14 24.142 -1.037 5.098 95 H ASN 15 H ASN 15 22.042 -4.849 3.588 96 HA ASN 15 HA ASN 15 19.467 -3.808 4.562 97 HB2 ASN 15 HB2 ASN 15 21.376 -2.853 2.442 98 HB3 ASN 15 HB3 ASN 15 19.688 -2.348 2.429 99 HD21 ASN 15 HD21 ASN 15 20.903 -0.247 2.628 100 HD22 ASN 15 HD22 ASN 15 21.194 0.331 4.231 101 H ASP 16 H ASP 16 19.707 -6.515 3.795 102 HA ASP 16 HA ASP 16 19.016 -7.076 1.151 103 HB2 ASP 16 HB2 ASP 16 19.591 -8.958 2.386 104 HB3 ASP 16 HB3 ASP 16 18.588 -8.492 3.756 105 H LYS 17 H LYS 17 17.421 -6.051 0.117 106 HA LYS 17 HA LYS 17 14.769 -5.988 1.402 107 HB2 LYS 17 HB2 LYS 17 16.038 -3.946 -0.426 108 HB3 LYS 17 HB3 LYS 17 14.333 -3.942 0.006 109 HG2 LYS 17 HG2 LYS 17 16.144 -4.065 2.299 110 HG3 LYS 17 HG3 LYS 17 16.294 -2.598 1.329 111 HD2 LYS 17 HD2 LYS 17 13.523 -3.278 1.736 112 HD3 LYS 17 HD3 LYS 17 14.368 -3.155 3.280 113 HE2 LYS 17 HE2 LYS 17 13.831 -0.965 3.019 114 HE3 LYS 17 HE3 LYS 17 15.342 -0.968 2.111 115 HZ1 LYS 17 HZ1 LYS 17 12.882 -1.597 0.660 116 HZ2 LYS 17 HZ2 LYS 17 14.264 -0.774 0.138 117 HZ3 LYS 17 HZ3 LYS 17 13.130 0.014 1.114 118 H CYS 18 H CYS 18 14.762 -8.179 0.306 119 HA CYS 18 HA CYS 18 13.872 -7.875 -2.488 120 HB2 CYS 18 HB2 CYS 18 15.202 -10.273 -1.209 121 HB3 CYS 18 HB3 CYS 18 14.607 -10.201 -2.864 122 H CYS 19 H CYS 19 12.208 -9.388 -3.186 123 HA CYS 19 HA CYS 19 9.945 -9.389 -1.648 124 HB2 CYS 19 HB2 CYS 19 10.843 -10.830 -4.045 125 HB3 CYS 19 HB3 CYS 19 9.580 -11.661 -3.143 126 HA PRO 20 HA PRO 20 10.157 -12.545 1.389 127 HB2 PRO 20 HB2 PRO 20 7.705 -13.703 1.255 128 HB3 PRO 20 HB3 PRO 20 7.967 -12.083 1.911 129 HG2 PRO 20 HG2 PRO 20 7.012 -12.892 -0.807 130 HG3 PRO 20 HG3 PRO 20 6.414 -11.599 0.249 131 HD2 PRO 20 HD2 PRO 20 8.070 -11.125 -1.840 132 HD3 PRO 20 HD3 PRO 20 8.104 -10.154 -0.355 133 H ASN 21 H ASN 21 10.138 -14.858 1.803 134 HA ASN 21 HA ASN 21 10.568 -17.035 1.298 135 HB2 ASN 21 HB2 ASN 21 9.480 -16.639 -1.475 136 HB3 ASN 21 HB3 ASN 21 9.402 -18.069 -0.449 137 HD21 ASN 21 HD21 ASN 21 7.308 -16.534 -1.859 138 HD22 ASN 21 HD22 ASN 21 6.151 -16.119 -0.644 139 H TYR 22 H TYR 22 12.303 -14.678 0.439 140 HA TYR 22 HA TYR 22 14.025 -16.193 -1.411 141 HB2 TYR 22 HB2 TYR 22 13.446 -13.241 -1.288 142 HB3 TYR 22 HB3 TYR 22 14.900 -13.863 -2.061 143 HD1 TYR 22 HD1 TYR 22 11.407 -13.185 -2.444 144 HD2 TYR 22 HD2 TYR 22 14.613 -15.526 -3.975 145 HE1 TYR 22 HE1 TYR 22 10.134 -13.564 -4.513 146 HE2 TYR 22 HE2 TYR 22 13.350 -15.911 -6.049 147 HH TYR 22 HH TYR 22 10.519 -15.828 -6.519 148 H LYS 23 H LYS 23 16.335 -14.914 -1.303 149 HA LYS 23 HA LYS 23 17.086 -14.298 1.423 150 HB2 LYS 23 HB2 LYS 23 17.153 -16.774 1.347 151 HB3 LYS 23 HB3 LYS 23 18.297 -16.683 0.014 152 HG2 LYS 23 HG2 LYS 23 19.907 -15.563 1.461 153 HG3 LYS 23 HG3 LYS 23 18.759 -15.635 2.800 154 HD2 LYS 23 HD2 LYS 23 18.879 -17.999 2.894 155 HD3 LYS 23 HD3 LYS 23 19.722 -18.089 1.347 156 HE2 LYS 23 HE2 LYS 23 21.365 -18.445 3.005 157 HE3 LYS 23 HE3 LYS 23 21.595 -16.790 2.442 158 HZ1 LYS 23 HZ1 LYS 23 20.540 -17.746 5.012 159 HZ2 LYS 23 HZ2 LYS 23 20.031 -16.244 4.424 160 HZ3 LYS 23 HZ3 LYS 23 21.675 -16.529 4.703 161 H CYS 24 H CYS 24 18.991 -13.148 1.571 162 HA CYS 24 HA CYS 24 20.193 -12.386 -1.005 163 HB2 CYS 24 HB2 CYS 24 19.012 -10.685 0.613 164 HB3 CYS 24 HB3 CYS 24 20.536 -10.768 1.492 165 H SER 25 H SER 25 21.994 -13.522 -1.340 166 HA SER 25 HA SER 25 23.697 -14.282 0.893 167 HB2 SER 25 HB2 SER 25 23.153 -15.330 -1.728 168 HB3 SER 25 HB3 SER 25 24.887 -15.053 -1.556 169 HG SER 25 HG SER 25 23.283 -16.917 -0.357 170 H SER 26 H SER 26 25.561 -13.323 1.416 171 HA SER 26 HA SER 26 26.277 -10.841 0.237 172 HB2 SER 26 HB2 SER 26 28.069 -10.781 1.847 173 HB3 SER 26 HB3 SER 26 26.648 -11.459 2.644 174 HG SER 26 HG SER 26 27.545 -13.456 2.566 175 H LYS 27 H LYS 27 27.087 -14.085 -0.466 176 HA LYS 27 HA LYS 27 29.659 -13.891 -1.492 177 HB2 LYS 27 HB2 LYS 27 27.321 -15.661 -2.019 178 HB3 LYS 27 HB3 LYS 27 28.659 -15.714 -3.158 179 HG2 LYS 27 HG2 LYS 27 29.079 -17.418 -1.603 180 HG3 LYS 27 HG3 LYS 27 30.167 -16.100 -1.164 181 HD2 LYS 27 HD2 LYS 27 28.422 -15.374 0.507 182 HD3 LYS 27 HD3 LYS 27 27.587 -16.893 0.175 183 HE2 LYS 27 HE2 LYS 27 28.852 -17.498 1.988 184 HE3 LYS 27 HE3 LYS 27 29.946 -17.930 0.674 185 HZ1 LYS 27 HZ1 LYS 27 30.138 -15.758 2.617 186 HZ2 LYS 27 HZ2 LYS 27 30.715 -15.451 1.057 187 HZ3 LYS 27 HZ3 LYS 27 31.356 -16.730 1.958 188 H ASP 28 H ASP 28 26.638 -13.752 -3.390 189 HA ASP 28 HA ASP 28 28.099 -12.323 -5.492 190 HB2 ASP 28 HB2 ASP 28 25.661 -14.032 -5.433 191 HB3 ASP 28 HB3 ASP 28 25.736 -12.758 -6.648 192 H LEU 29 H LEU 29 25.978 -11.769 -2.927 193 HA LEU 29 HA LEU 29 24.896 -9.915 -2.179 194 HB2 LEU 29 HB2 LEU 29 26.142 -8.417 -4.469 195 HB3 LEU 29 HB3 LEU 29 25.593 -7.775 -2.921 196 HG LEU 29 HG LEU 29 27.861 -9.731 -3.049 197 HD11 LEU 29 HD11 LEU 29 28.679 -6.957 -2.865 198 HD12 LEU 29 HD12 LEU 29 27.917 -7.326 -4.410 199 HD13 LEU 29 HD13 LEU 29 29.313 -8.260 -3.871 200 HD21 LEU 29 HD21 LEU 29 28.518 -8.428 -1.007 201 HD22 LEU 29 HD22 LEU 29 27.016 -9.341 -0.861 202 HD23 LEU 29 HD23 LEU 29 26.966 -7.597 -1.122 203 H TRP 30 H TRP 30 23.443 -11.607 -3.769 204 HA TRP 30 HA TRP 30 21.602 -9.725 -5.063 205 HB2 TRP 30 HB2 TRP 30 21.209 -11.364 -6.888 206 HB3 TRP 30 HB3 TRP 30 22.850 -10.725 -6.886 207 HD1 TRP 30 HD1 TRP 30 22.490 -13.280 -4.232 208 HE1 TRP 30 HE1 TRP 30 23.517 -15.514 -4.990 209 HE3 TRP 30 HE3 TRP 30 23.067 -12.261 -9.209 210 HZ2 TRP 30 HZ2 TRP 30 24.450 -16.690 -7.381 211 HZ3 TRP 30 HZ3 TRP 30 24.035 -13.994 -10.663 212 HH2 TRP 30 HH2 TRP 30 24.712 -16.162 -9.766 213 H CYS 31 H CYS 31 19.596 -11.322 -5.809 214 HA CYS 31 HA CYS 31 18.681 -12.435 -3.259 215 HB2 CYS 31 HB2 CYS 31 17.006 -11.876 -5.706 216 HB3 CYS 31 HB3 CYS 31 16.450 -12.124 -4.054 217 H LYS 32 H LYS 32 17.844 -14.497 -3.068 218 HA LYS 32 HA LYS 32 17.982 -16.251 -5.412 219 HB2 LYS 32 HB2 LYS 32 19.270 -16.863 -2.744 220 HB3 LYS 32 HB3 LYS 32 19.144 -17.983 -4.094 221 HG2 LYS 32 HG2 LYS 32 20.349 -15.572 -5.016 222 HG3 LYS 32 HG3 LYS 32 21.181 -16.110 -3.555 223 HD2 LYS 32 HD2 LYS 32 20.573 -18.248 -5.471 224 HD3 LYS 32 HD3 LYS 32 21.697 -17.025 -6.069 225 HE2 LYS 32 HE2 LYS 32 22.880 -18.869 -4.992 226 HE3 LYS 32 HE3 LYS 32 23.114 -17.360 -4.114 227 HZ1 LYS 32 HZ1 LYS 32 22.173 -18.210 -2.306 228 HZ2 LYS 32 HZ2 LYS 32 22.283 -19.726 -3.048 229 HZ3 LYS 32 HZ3 LYS 32 20.853 -18.831 -3.165 230 H TYR 33 H TYR 33 16.468 -17.853 -5.456 231 HA TYR 33 HA TYR 33 14.240 -17.596 -3.682 232 HB2 TYR 33 HB2 TYR 33 13.197 -19.313 -5.039 233 HB3 TYR 33 HB3 TYR 33 14.002 -18.153 -6.089 234 HD1 TYR 33 HD1 TYR 33 16.058 -18.775 -7.283 235 HD2 TYR 33 HD2 TYR 33 13.940 -21.597 -4.905 236 HE1 TYR 33 HE1 TYR 33 17.292 -20.606 -8.368 237 HE2 TYR 33 HE2 TYR 33 15.168 -23.436 -5.983 238 HH TYR 33 HH TYR 33 16.788 -23.985 -7.403 239 H LYS 34 H LYS 34 13.755 -18.730 -1.911 240 HA LYS 34 HA LYS 34 15.173 -21.245 -1.389 241 HB2 LYS 34 HB2 LYS 34 15.218 -18.762 0.244 242 HB3 LYS 34 HB3 LYS 34 15.095 -20.287 1.111 243 HG2 LYS 34 HG2 LYS 34 17.238 -19.660 -0.908 244 HG3 LYS 34 HG3 LYS 34 17.416 -19.450 0.835 245 HD2 LYS 34 HD2 LYS 34 16.730 -21.924 0.994 246 HD3 LYS 34 HD3 LYS 34 17.088 -21.988 -0.733 247 HE2 LYS 34 HE2 LYS 34 19.344 -20.925 -0.073 248 HE3 LYS 34 HE3 LYS 34 18.938 -21.443 1.562 249 HZ1 LYS 34 HZ1 LYS 34 20.042 -23.274 0.849 250 HZ2 LYS 34 HZ2 LYS 34 19.636 -23.047 -0.777 251 HZ3 LYS 34 HZ3 LYS 34 18.501 -23.698 0.295 252 H ILE 35 H ILE 35 13.849 -22.821 -0.761 253 HA ILE 35 HA ILE 35 11.236 -22.078 0.383 254 HB ILE 35 HB ILE 35 10.376 -24.207 -0.712 255 HG12 ILE 35 HG12 ILE 35 12.421 -23.935 -2.824 256 HG13 ILE 35 HG13 ILE 35 12.991 -24.649 -1.320 257 HG21 ILE 35 HG21 ILE 35 11.221 -22.089 -2.672 258 HG22 ILE 35 HG22 ILE 35 9.759 -23.074 -2.690 259 HG23 ILE 35 HG23 ILE 35 9.966 -21.824 -1.462 260 HD11 ILE 35 HD11 ILE 35 11.743 -25.964 -3.389 261 HD12 ILE 35 HD12 ILE 35 11.980 -26.577 -1.751 262 HD13 ILE 35 HD13 ILE 35 10.468 -25.779 -2.184 263 H TRP 36 H TRP 36 10.873 -22.893 2.332 264 HA TRP 36 HA TRP 36 12.569 -25.088 3.278 265 HB2 TRP 36 HB2 TRP 36 11.834 -24.394 5.541 266 HB3 TRP 36 HB3 TRP 36 12.616 -23.089 4.655 267 HD1 TRP 36 HD1 TRP 36 11.227 -20.920 4.219 268 HE1 TRP 36 HE1 TRP 36 8.874 -20.138 4.912 269 HE3 TRP 36 HE3 TRP 36 9.384 -25.352 5.980 270 HZ2 TRP 36 HZ2 TRP 36 6.545 -21.252 6.054 271 HZ3 TRP 36 HZ3 TRP 36 7.086 -25.408 6.856 272 HH2 TRP 36 HH2 TRP 36 5.697 -23.399 6.893 Start of MODEL 20 1 H SER 1 H SER 1 0.523 0.338 -0.937 2 HA SER 1 HA SER 1 1.103 -0.905 -3.522 3 HB2 SER 1 HB2 SER 1 2.821 0.969 -3.669 4 HB3 SER 1 HB3 SER 1 1.131 1.473 -3.646 5 HG SER 1 HG SER 1 1.573 2.567 -1.922 6 H GLU 2 H GLU 2 2.474 -2.546 -3.586 7 HA GLU 2 HA GLU 2 4.528 -2.757 -1.490 8 HB2 GLU 2 HB2 GLU 2 4.555 -5.140 -1.897 9 HB3 GLU 2 HB3 GLU 2 2.902 -4.619 -1.604 10 HG2 GLU 2 HG2 GLU 2 2.743 -4.482 -4.180 11 HG3 GLU 2 HG3 GLU 2 4.175 -5.510 -4.154 12 H ASP 3 H ASP 3 6.637 -2.782 -2.015 13 HA ASP 3 HA ASP 3 7.401 -3.120 -4.824 14 HB2 ASP 3 HB2 ASP 3 7.397 -0.787 -4.761 15 HB3 ASP 3 HB3 ASP 3 7.949 -0.735 -3.089 16 H CYS 4 H CYS 4 8.624 -4.896 -4.720 17 HA CYS 4 HA CYS 4 10.868 -4.904 -2.824 18 HB2 CYS 4 HB2 CYS 4 10.553 -7.396 -2.616 19 HB3 CYS 4 HB3 CYS 4 9.302 -6.423 -1.850 20 H LEU 5 H LEU 5 12.552 -6.557 -3.471 21 HA LEU 5 HA LEU 5 13.046 -6.265 -6.326 22 HB2 LEU 5 HB2 LEU 5 14.760 -7.155 -4.020 23 HB3 LEU 5 HB3 LEU 5 15.300 -7.223 -5.696 24 HG LEU 5 HG LEU 5 14.465 -4.685 -4.298 25 HD11 LEU 5 HD11 LEU 5 17.105 -6.067 -4.499 26 HD12 LEU 5 HD12 LEU 5 16.374 -5.230 -3.129 27 HD13 LEU 5 HD13 LEU 5 17.031 -4.303 -4.479 28 HD21 LEU 5 HD21 LEU 5 14.696 -5.228 -6.978 29 HD22 LEU 5 HD22 LEU 5 16.279 -4.560 -6.578 30 HD23 LEU 5 HD23 LEU 5 14.817 -3.633 -6.236 31 H GLY 6 H GLY 6 13.625 -8.015 -7.686 32 HA2 GLY 6 HA2 GLY 6 12.215 -10.471 -7.012 33 HA3 GLY 6 HA3 GLY 6 12.860 -10.037 -8.587 34 H ALA 7 H ALA 7 13.893 -11.990 -8.926 35 HA ALA 7 HA ALA 7 15.866 -12.895 -6.983 36 HB1 ALA 7 HB1 ALA 7 14.610 -14.077 -9.413 37 HB2 ALA 7 HB2 ALA 7 16.159 -14.707 -8.851 38 HB3 ALA 7 HB3 ALA 7 14.755 -14.737 -7.783 39 H PHE 8 H PHE 8 18.060 -12.965 -7.332 40 HA PHE 8 HA PHE 8 20.089 -12.339 -8.148 41 HB2 PHE 8 HB2 PHE 8 18.772 -12.160 -10.859 42 HB3 PHE 8 HB3 PHE 8 20.471 -12.454 -10.506 43 HD1 PHE 8 HD1 PHE 8 17.968 -14.022 -11.946 44 HD2 PHE 8 HD2 PHE 8 20.397 -14.527 -8.488 45 HE1 PHE 8 HE1 PHE 8 17.556 -16.447 -12.015 46 HE2 PHE 8 HE2 PHE 8 19.991 -16.952 -8.552 47 HZ PHE 8 HZ PHE 8 18.569 -17.916 -10.317 48 H SER 9 H SER 9 18.033 -10.351 -7.339 49 HA SER 9 HA SER 9 18.691 -8.034 -8.983 50 HB2 SER 9 HB2 SER 9 16.347 -8.509 -8.098 51 HB3 SER 9 HB3 SER 9 16.962 -8.060 -6.507 52 HG SER 9 HG SER 9 17.554 -6.026 -7.436 53 H ARG 10 H ARG 10 19.600 -6.115 -8.105 54 HA ARG 10 HA ARG 10 21.841 -6.515 -6.480 55 HB2 ARG 10 HB2 ARG 10 21.335 -4.617 -8.155 56 HB3 ARG 10 HB3 ARG 10 20.517 -3.836 -6.809 57 HG2 ARG 10 HG2 ARG 10 22.457 -3.411 -5.691 58 HG3 ARG 10 HG3 ARG 10 23.293 -4.801 -6.387 59 HD2 ARG 10 HD2 ARG 10 23.650 -3.683 -8.436 60 HD3 ARG 10 HD3 ARG 10 22.505 -2.407 -8.024 61 HE ARG 10 HE ARG 10 24.547 -2.385 -6.121 62 HH11 ARG 10 HH11 ARG 10 24.104 -1.776 -9.520 63 HH12 ARG 10 HH12 ARG 10 25.388 -0.616 -9.613 64 HH21 ARG 10 HH21 ARG 10 26.241 -0.862 -6.231 65 HH22 ARG 10 HH22 ARG 10 26.604 -0.098 -7.742 66 H CYS 11 H CYS 11 22.119 -6.578 -4.345 67 HA CYS 11 HA CYS 11 20.584 -5.072 -2.495 68 HB2 CYS 11 HB2 CYS 11 19.335 -6.791 -1.402 69 HB3 CYS 11 HB3 CYS 11 18.960 -6.898 -3.119 70 H SER 12 H SER 12 21.185 -5.570 -0.229 71 HA SER 12 HA SER 12 23.880 -6.760 -0.106 72 HB2 SER 12 HB2 SER 12 22.753 -4.258 1.046 73 HB3 SER 12 HB3 SER 12 23.917 -5.144 2.031 74 HG SER 12 HG SER 12 25.459 -4.585 0.706 75 HA PRO 13 HA PRO 13 22.579 -9.548 3.022 76 HB2 PRO 13 HB2 PRO 13 24.716 -9.583 4.696 77 HB3 PRO 13 HB3 PRO 13 24.739 -10.325 3.092 78 HG2 PRO 13 HG2 PRO 13 25.806 -7.669 3.966 79 HG3 PRO 13 HG3 PRO 13 26.544 -8.872 2.894 80 HD2 PRO 13 HD2 PRO 13 25.289 -6.664 1.958 81 HD3 PRO 13 HD3 PRO 13 25.295 -8.204 1.076 82 H LYS 14 H LYS 14 23.809 -6.438 4.139 83 HA LYS 14 HA LYS 14 22.551 -6.708 6.734 84 HB2 LYS 14 HB2 LYS 14 24.759 -5.431 6.082 85 HB3 LYS 14 HB3 LYS 14 23.648 -4.121 5.709 86 HG2 LYS 14 HG2 LYS 14 23.397 -5.471 8.343 87 HG3 LYS 14 HG3 LYS 14 24.749 -4.366 8.085 88 HD2 LYS 14 HD2 LYS 14 21.981 -3.517 7.342 89 HD3 LYS 14 HD3 LYS 14 22.485 -3.472 9.033 90 HE2 LYS 14 HE2 LYS 14 24.542 -2.191 8.148 91 HE3 LYS 14 HE3 LYS 14 23.576 -1.947 6.694 92 HZ1 LYS 14 HZ1 LYS 14 23.084 -0.093 7.940 93 HZ2 LYS 14 HZ2 LYS 14 23.120 -0.921 9.414 94 HZ3 LYS 14 HZ3 LYS 14 21.809 -1.121 8.365 95 H ASN 15 H ASN 15 22.009 -4.985 3.712 96 HA ASN 15 HA ASN 15 19.450 -4.000 4.788 97 HB2 ASN 15 HB2 ASN 15 21.206 -2.328 3.944 98 HB3 ASN 15 HB3 ASN 15 20.820 -2.920 2.330 99 HD21 ASN 15 HD21 ASN 15 20.261 -0.607 2.085 100 HD22 ASN 15 HD22 ASN 15 18.652 -0.120 2.485 101 H ASP 16 H ASP 16 19.674 -6.648 3.910 102 HA ASP 16 HA ASP 16 19.001 -7.107 1.242 103 HB2 ASP 16 HB2 ASP 16 19.553 -9.043 2.390 104 HB3 ASP 16 HB3 ASP 16 18.573 -8.616 3.790 105 H LYS 17 H LYS 17 17.417 -6.034 0.237 106 HA LYS 17 HA LYS 17 14.764 -5.984 1.520 107 HB2 LYS 17 HB2 LYS 17 16.158 -3.921 -0.166 108 HB3 LYS 17 HB3 LYS 17 14.405 -3.944 -0.023 109 HG2 LYS 17 HG2 LYS 17 14.761 -3.868 2.490 110 HG3 LYS 17 HG3 LYS 17 16.442 -3.473 2.129 111 HD2 LYS 17 HD2 LYS 17 14.053 -1.924 1.131 112 HD3 LYS 17 HD3 LYS 17 15.035 -1.474 2.527 113 HE2 LYS 17 HE2 LYS 17 17.023 -1.468 0.974 114 HE3 LYS 17 HE3 LYS 17 15.880 -1.624 -0.359 115 HZ1 LYS 17 HZ1 LYS 17 15.072 0.473 1.344 116 HZ2 LYS 17 HZ2 LYS 17 15.505 0.543 -0.289 117 HZ3 LYS 17 HZ3 LYS 17 16.691 0.705 0.908 118 H CYS 18 H CYS 18 14.743 -8.169 0.404 119 HA CYS 18 HA CYS 18 13.837 -7.836 -2.381 120 HB2 CYS 18 HB2 CYS 18 15.173 -10.248 -1.134 121 HB3 CYS 18 HB3 CYS 18 14.561 -10.162 -2.783 122 H CYS 19 H CYS 19 12.168 -9.342 -3.082 123 HA CYS 19 HA CYS 19 9.912 -9.351 -1.532 124 HB2 CYS 19 HB2 CYS 19 10.794 -10.775 -3.944 125 HB3 CYS 19 HB3 CYS 19 9.535 -11.611 -3.042 126 HA PRO 20 HA PRO 20 10.131 -12.535 1.477 127 HB2 PRO 20 HB2 PRO 20 7.681 -13.696 1.337 128 HB3 PRO 20 HB3 PRO 20 7.942 -12.080 2.007 129 HG2 PRO 20 HG2 PRO 20 6.983 -12.870 -0.717 130 HG3 PRO 20 HG3 PRO 20 6.386 -11.587 0.352 131 HD2 PRO 20 HD2 PRO 20 8.036 -11.092 -1.737 132 HD3 PRO 20 HD3 PRO 20 8.072 -10.133 -0.244 133 H ASN 21 H ASN 21 10.120 -14.850 1.871 134 HA ASN 21 HA ASN 21 10.548 -17.024 1.348 135 HB2 ASN 21 HB2 ASN 21 9.464 -16.599 -1.421 136 HB3 ASN 21 HB3 ASN 21 9.390 -18.042 -0.413 137 HD21 ASN 21 HD21 ASN 21 7.356 -16.273 -1.806 138 HD22 ASN 21 HD22 ASN 21 6.172 -15.964 -0.586 139 H TYR 22 H TYR 22 12.287 -14.662 0.523 140 HA TYR 22 HA TYR 22 14.023 -16.168 -1.323 141 HB2 TYR 22 HB2 TYR 22 13.369 -13.235 -1.249 142 HB3 TYR 22 HB3 TYR 22 14.878 -13.803 -1.954 143 HD1 TYR 22 HD1 TYR 22 11.374 -13.288 -2.485 144 HD2 TYR 22 HD2 TYR 22 14.751 -15.477 -3.867 145 HE1 TYR 22 HE1 TYR 22 10.207 -13.739 -4.602 146 HE2 TYR 22 HE2 TYR 22 13.594 -15.934 -5.989 147 HH TYR 22 HH TYR 22 10.602 -15.876 -6.502 148 H LYS 23 H LYS 23 16.320 -14.871 -1.219 149 HA LYS 23 HA LYS 23 17.069 -14.155 1.470 150 HB2 LYS 23 HB2 LYS 23 17.583 -16.854 0.375 151 HB3 LYS 23 HB3 LYS 23 18.955 -16.072 1.151 152 HG2 LYS 23 HG2 LYS 23 17.461 -15.682 3.140 153 HG3 LYS 23 HG3 LYS 23 16.286 -16.742 2.359 154 HD2 LYS 23 HD2 LYS 23 17.625 -18.614 2.591 155 HD3 LYS 23 HD3 LYS 23 19.107 -17.664 2.717 156 HE2 LYS 23 HE2 LYS 23 18.441 -16.901 4.934 157 HE3 LYS 23 HE3 LYS 23 16.935 -17.808 4.807 158 HZ1 LYS 23 HZ1 LYS 23 17.971 -19.761 5.193 159 HZ2 LYS 23 HZ2 LYS 23 19.086 -18.772 5.989 160 HZ3 LYS 23 HZ3 LYS 23 19.403 -19.306 4.416 161 H CYS 24 H CYS 24 18.770 -12.804 1.458 162 HA CYS 24 HA CYS 24 20.017 -12.227 -1.110 163 HB2 CYS 24 HB2 CYS 24 19.066 -10.471 0.531 164 HB3 CYS 24 HB3 CYS 24 20.540 -10.743 1.455 165 H SER 25 H SER 25 21.722 -13.443 -1.610 166 HA SER 25 HA SER 25 23.474 -14.489 0.445 167 HB2 SER 25 HB2 SER 25 23.815 -14.737 -2.548 168 HB3 SER 25 HB3 SER 25 24.496 -15.774 -1.294 169 HG SER 25 HG SER 25 22.352 -16.423 -0.794 170 H SER 26 H SER 26 25.213 -13.474 1.170 171 HA SER 26 HA SER 26 26.098 -11.006 0.075 172 HB2 SER 26 HB2 SER 26 27.831 -11.089 1.807 173 HB3 SER 26 HB3 SER 26 26.262 -11.528 2.482 174 HG SER 26 HG SER 26 27.352 -13.199 3.177 175 H LYS 27 H LYS 27 26.751 -14.216 -0.735 176 HA LYS 27 HA LYS 27 29.455 -14.061 -1.518 177 HB2 LYS 27 HB2 LYS 27 28.920 -16.041 -2.933 178 HB3 LYS 27 HB3 LYS 27 28.401 -16.209 -1.261 179 HG2 LYS 27 HG2 LYS 27 26.143 -15.241 -2.275 180 HG3 LYS 27 HG3 LYS 27 26.796 -15.985 -3.737 181 HD2 LYS 27 HD2 LYS 27 26.667 -17.485 -1.139 182 HD3 LYS 27 HD3 LYS 27 25.279 -17.406 -2.226 183 HE2 LYS 27 HE2 LYS 27 27.945 -18.196 -3.309 184 HE3 LYS 27 HE3 LYS 27 27.002 -19.374 -2.397 185 HZ1 LYS 27 HZ1 LYS 27 26.249 -17.998 -4.910 186 HZ2 LYS 27 HZ2 LYS 27 25.126 -18.829 -3.958 187 HZ3 LYS 27 HZ3 LYS 27 26.429 -19.660 -4.646 188 H ASP 28 H ASP 28 26.448 -13.623 -3.362 189 HA ASP 28 HA ASP 28 28.038 -12.415 -5.525 190 HB2 ASP 28 HB2 ASP 28 25.608 -14.102 -5.490 191 HB3 ASP 28 HB3 ASP 28 25.602 -12.780 -6.654 192 H LEU 29 H LEU 29 26.033 -11.665 -2.969 193 HA LEU 29 HA LEU 29 25.019 -9.751 -2.278 194 HB2 LEU 29 HB2 LEU 29 26.260 -8.420 -4.674 195 HB3 LEU 29 HB3 LEU 29 25.743 -7.666 -3.167 196 HG LEU 29 HG LEU 29 27.958 -9.687 -3.194 197 HD11 LEU 29 HD11 LEU 29 29.037 -8.299 -4.607 198 HD12 LEU 29 HD12 LEU 29 29.311 -7.373 -3.131 199 HD13 LEU 29 HD13 LEU 29 28.002 -6.923 -4.224 200 HD21 LEU 29 HD21 LEU 29 26.648 -8.086 -1.238 201 HD22 LEU 29 HD22 LEU 29 28.321 -7.546 -1.379 202 HD23 LEU 29 HD23 LEU 29 27.967 -9.236 -1.022 203 H TRP 30 H TRP 30 23.518 -11.494 -3.840 204 HA TRP 30 HA TRP 30 21.645 -9.606 -5.075 205 HB2 TRP 30 HB2 TRP 30 21.213 -11.183 -6.920 206 HB3 TRP 30 HB3 TRP 30 22.884 -10.624 -6.918 207 HD1 TRP 30 HD1 TRP 30 22.617 -13.128 -4.271 208 HE1 TRP 30 HE1 TRP 30 23.451 -15.426 -5.077 209 HE3 TRP 30 HE3 TRP 30 22.734 -12.230 -9.302 210 HZ2 TRP 30 HZ2 TRP 30 24.077 -16.690 -7.522 211 HZ3 TRP 30 HZ3 TRP 30 23.463 -14.036 -10.806 212 HH2 TRP 30 HH2 TRP 30 24.121 -16.218 -9.932 213 H CYS 31 H CYS 31 19.629 -11.224 -5.791 214 HA CYS 31 HA CYS 31 18.776 -12.342 -3.220 215 HB2 CYS 31 HB2 CYS 31 17.039 -11.778 -5.623 216 HB3 CYS 31 HB3 CYS 31 16.527 -12.032 -3.959 217 H LYS 32 H LYS 32 18.043 -14.420 -2.993 218 HA LYS 32 HA LYS 32 18.079 -16.160 -5.354 219 HB2 LYS 32 HB2 LYS 32 19.565 -16.647 -2.770 220 HB3 LYS 32 HB3 LYS 32 19.257 -17.901 -3.964 221 HG2 LYS 32 HG2 LYS 32 20.468 -15.521 -5.114 222 HG3 LYS 32 HG3 LYS 32 21.462 -16.270 -3.862 223 HD2 LYS 32 HD2 LYS 32 20.226 -17.871 -6.086 224 HD3 LYS 32 HD3 LYS 32 21.791 -17.075 -6.265 225 HE2 LYS 32 HE2 LYS 32 22.555 -19.055 -5.487 226 HE3 LYS 32 HE3 LYS 32 22.190 -18.323 -3.925 227 HZ1 LYS 32 HZ1 LYS 32 19.959 -19.675 -5.160 228 HZ2 LYS 32 HZ2 LYS 32 20.518 -19.742 -3.565 229 HZ3 LYS 32 HZ3 LYS 32 21.247 -20.696 -4.758 230 H TYR 33 H TYR 33 16.593 -17.793 -5.334 231 HA TYR 33 HA TYR 33 14.425 -17.562 -3.491 232 HB2 TYR 33 HB2 TYR 33 13.367 -19.303 -4.792 233 HB3 TYR 33 HB3 TYR 33 14.140 -18.165 -5.889 234 HD1 TYR 33 HD1 TYR 33 16.225 -18.800 -7.063 235 HD2 TYR 33 HD2 TYR 33 14.068 -21.585 -4.676 236 HE1 TYR 33 HE1 TYR 33 17.442 -20.652 -8.132 237 HE2 TYR 33 HE2 TYR 33 15.281 -23.443 -5.737 238 HH TYR 33 HH TYR 33 17.925 -23.368 -7.111 239 H LYS 34 H LYS 34 13.913 -18.780 -1.760 240 HA LYS 34 HA LYS 34 15.369 -21.254 -1.241 241 HB2 LYS 34 HB2 LYS 34 15.485 -18.790 0.471 242 HB3 LYS 34 HB3 LYS 34 15.653 -20.385 1.194 243 HG2 LYS 34 HG2 LYS 34 17.389 -19.305 -1.016 244 HG3 LYS 34 HG3 LYS 34 17.813 -19.314 0.697 245 HD2 LYS 34 HD2 LYS 34 17.319 -21.865 0.526 246 HD3 LYS 34 HD3 LYS 34 17.543 -21.609 -1.205 247 HE2 LYS 34 HE2 LYS 34 19.756 -20.606 -0.725 248 HE3 LYS 34 HE3 LYS 34 19.527 -20.990 0.982 249 HZ1 LYS 34 HZ1 LYS 34 19.439 -23.324 0.429 250 HZ2 LYS 34 HZ2 LYS 34 20.871 -22.654 -0.171 251 HZ3 LYS 34 HZ3 LYS 34 19.586 -22.983 -1.222 252 H ILE 35 H ILE 35 13.928 -22.748 -0.713 253 HA ILE 35 HA ILE 35 11.557 -21.936 0.835 254 HB ILE 35 HB ILE 35 10.345 -23.810 -0.385 255 HG12 ILE 35 HG12 ILE 35 12.069 -23.454 -2.736 256 HG13 ILE 35 HG13 ILE 35 12.829 -24.344 -1.423 257 HG21 ILE 35 HG21 ILE 35 9.923 -21.427 -0.781 258 HG22 ILE 35 HG22 ILE 35 11.196 -21.411 -2.001 259 HG23 ILE 35 HG23 ILE 35 9.743 -22.378 -2.255 260 HD11 ILE 35 HD11 ILE 35 11.429 -26.117 -1.635 261 HD12 ILE 35 HD12 ILE 35 10.086 -25.131 -2.215 262 HD13 ILE 35 HD13 ILE 35 11.413 -25.539 -3.301 263 H TRP 36 H TRP 36 12.039 -22.711 2.810 264 HA TRP 36 HA TRP 36 12.689 -25.579 3.007 265 HB2 TRP 36 HB2 TRP 36 14.662 -24.369 3.652 266 HB3 TRP 36 HB3 TRP 36 13.728 -23.293 4.689 267 HD1 TRP 36 HD1 TRP 36 12.835 -24.324 7.031 268 HE1 TRP 36 HE1 TRP 36 13.725 -26.269 8.461 269 HE3 TRP 36 HE3 TRP 36 15.773 -26.624 3.535 270 HZ2 TRP 36 HZ2 TRP 36 15.445 -28.486 8.150 271 HZ3 TRP 36 HZ3 TRP 36 17.008 -28.651 4.183 272 HH2 TRP 36 HH2 TRP 36 16.846 -29.561 6.443
Contact the webmaster for help, if required. Sunday, July 7, 2024 8:33:18 PM GMT (wattos1)